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["MCULE-2383746108","Cc1ccc(-c2cnc(F)c(C)c2)cc1NC(=O)c1ccc(N(C)C)cc1"]
["MCULE-8028959612","Cc1cc(F)cc(-c2ccc(NC(=O)c3cc(F)c(F)cc3F)cc2)c1"]
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["MCULE-4715555137","Cc1cc(C)cc(C(O)=NC2Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3C2)c1"]
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["157855080","ClC[C@]1(C2CC2)CCCO1"]
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["164196097","OC(CCl)=NN=C(O)C1(c2ccccc2)CCC1"]
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["163862970","OCC1(C2CCCCO2)CCC1"]
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["51279200","[Al+3].[Li+].[O-2]"]
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["79546823","[SiH3].[Zn]"]
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["101703500","NN.[Li+].[Li+]"]
["65711725","S.[Li+].[Li+]"]
["55558807","[Al+3].[F-].[F-]"]
["190203139","[Dy+3].[O-2].[O-2]"]
["149578087","[Ag].[Ag].[Li+]"]
["79721617","[CH]=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C"]
["25738186","C=C[CH]C(F)(F)F"]
["79179156","C=C/C=C/C=C/C#N.C=Cc1ccccc1"]
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["176593003","C=CCC=C/C=C/C=O"]
["150272922","C=C/C=C/c1ccccccccc1/C=C/C=C"]
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["174477157","C=CC=CC=CC(c1ccccc1)c1ccccc1"]
["74137805","[CH]=C/C=C/N1CCCC1"]
["47579502","I.N.N"]
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["191449140","N.[Fe+2].[NH4+]"]
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["79873570","[105S]"]
["79128331","C=C=N.[Na+].[Na+]"]
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["641645","Br"]
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["79530119","Br.Br.[Pb]"]
["79726832","Cl.[Al].[CH]"]
["79032585","[Cr].[Fe].[Zn]"]
["174824454","S.[Fe].[U]"]
["27309103","[55Fe]"]
["78131556","B[SiH3].[Cr].[Fe]"]
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["98272017","CC([NH-])[CH+]N"]
["145440119","NCCN.[Cu+2].[NH-]CC[NH-]"]
["79731216","C=C/C(N)=C(/N)C=C"]
["78503193","[NH-]CCN.[Pd+]"]
["162161182","[NH-]N.[Ti]"]
["173306819","CCCC[NH-].[NH-]N.[Y]"]
["175180860","[Cr].[NH-]N"]
["176098356","[Se]=[Si]1N[SiH2]N1"]
["34015402","[Ir+2]"]
["170679660","[Se]=C/C=C\\[SeH]"]
["149748137","N1NC2[SiH2]C12"]
["44827932","C1CN[SiH2]N1"]
["180624230","[O-]P([O-])([S-])=[Se]"]
["174715221","[41Ti]"]
["78652713","[110Hg]"]
["79807990","N1[SiH2]N[SiH]1[SiH]1N[SiH2]N1"]
["166640160","B1BNBN1"]
["101196928","[SiH2]=C1N[SiH2]1"]
["175671029","[42P]"]
["78354350","[O].[Pb].[Pd]"]
["176164731","[In].[Pb].[Pb]"]
["78200336","[CH2]C=C.[O].[Pb]"]
["174507671","S.[Ag].[O]"]
["78239690","[K+].[O].[Pd]"]
["79361376","[Co].[O].[Zr]"]
["79438928","[Ni].[O].[Pd]"]
["42325567","[Pb].[U]"]
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["158690746","[Co].[Ni].[Pb]"]
["79235154","[O].[Pd].[V]"]
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["32789543","[I-].[Ta+5]"]
["66583555","[I-].[Ru+3]"]
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["185385519","[Ag].[Cu+].[I-]"]
["193562268","O.[Ta+5]"]
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["174773844","[Ag].[I-].[K+]"]
["27124554","ISC(I)(I)C(I)I"]
["101324104","OC(O)(O)C(I)C(I)CCCI"]
["177208107","CCC(C)C(C)C(C)(C)C(C)CSI"]
["194654170","CCC(NC)C(F)(F)I"]
["173343983","CCCCC(C(=O)O)C(Br)(I)C(=O)C(Br)Br"]
["182166803","ClC(I)C(I)C1CC1"]
["169945703","FC(F)(F)C(I)(C(F)(F)F)C(I)(C(F)(F)F)C(F)(F)F"]
["167283912","FC(CSC(F)(F)F)C(F)(F)F"]
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["25300839","ClC(Cl)I"]
["52519782","CC(I)C(O)=NC(C)(C)C"]
["173792589","[B]C(C)(N)[C@H](C)I"]
["28844","[81Kr]"]
["194191429","N#CBr.[Ar]"]
["79417290","B.[P].[W]"]
["161409258","B.[Mo].[Ta]"]
["164453578","B.[Co].[Pt]"]
["79448926","B.[Ni].[SiH4]"]
["79090494","B.[Co].[Nb]"]
["145550746","B.[Ag].[O]"]
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["79108374","B.[Co].[Re]"]
["149077948","B.[La].[Nb]"]
["78180944","B.[H+].[Na+]"]
["91551416","[Al].[Co].[Tm]"]
["78938983","[Al].[Co].[Ti]"]
["83056700","[Al].[Al].[Ce]"]
["79945447","OB(O)O.[Al].[Eu]"]
["32926899","[Ag].[Co]"]
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["78978684","[Al].[Ni].[Ni]"]
["185894101","OP([OH2+])[OH2+].[Al]"]
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["79405218","[Co].[Co].[Ru]"]
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["78649064","O.OB(O)O.[Al]"]
["175671542","[112I]"]
["65065370","c1c[cH+]1"]
["170603759","[Se-]P([Se-])P([Se-])[Se-]"]
["26055954","O=C=[SH2]"]
["159529540","[Fe+3].[O-]P([O-])[Se-]"]
["167003759","[se]1n2[se]n3[se]n2[se]n13"]
["91622873","CP(C)(Br)(Br)Br"]
["159529541","OP(O)[Se-]"]
["34445617","[14CH3].[I-].[Mg+]"]
["91675482","[CH+]=C=O"]
["170555635","[BH2-]1[NH2+][BH2-][NH2+][BH2-][NH2+]1"]
["168502435","FP(F)[Se-]"]
["175671527","[111Tc]"]
["189836216","[2H]S(=O)O"]
["181464886","O[SiH2][SiH2][SiH2]O"]
["173224726","O=[Ge]1OO1"]
["79533987","O=[Ge]1OO1.[SiH4]"]
["100434562","FOI"]
["81420982","C1=C[Se][Se]C=C[Se][Se]1"]
["170675827","N[B-]N"]
["63205464","C1=C\\[Se][Se]/C=C\\[Se][Se]/1"]
["25377607","SC(Cl)(Cl)Cl"]
["185146387","O[Te](O)O"]
["175672550","[237Pa]"]
["102957778","C.[HH].[Sr]"]
["79745636","S.[Cd].[Sr]"]
["34212410","[Dy+3]"]
["192522996","C.S.[Ni]"]
["53563823","C.C.[HH]"]
["103048184","C.[HH].[Pb]"]
["79541572","C.[GeH4]"]
["49230646","[Ru].[Sr].[Sr]"]
["34462921","C.[Ru]"]
["45391563","C.[Ru+2]"]
["157798747","C.[Ag].[Ni]"]
["78956324","C.[In]"]
["55554104","[Si-]#[Se+]"]
["78134202","CC(C)[SiH]1O[SiH](C(C)C)O[SiH](C(C)C)O[SiH](C(C)C)O[SiH](C(C)C)O1"]
["168586838","C=CC([Si+])[Si-]"]
["90976294","FC(F)(F)[Ge]C(F)(F)F.[Si-]#[Se+].[Si-]#[Se+]"]
["1104605","[S-]"]
["79189161","C=CC(F)SC(F)C=C"]
["171000298","OC(C[Si-])[O+]=[Si]"]
["90976292","FC(F)(F)[Ge](C(F)(F)F)C(F)(F)F.[Si-]#[Se+]"]
["78135069","CC(C)[SiH]1O[SiH](C(C)C)O[SiH](C(C)C)O1"]
["185439668","CC(C)[SiH]1O[SiH](C(C)C)O[SiH](C(C)C)O[SiH](C(C)C)O[SiH](C(C)C)O[SiH](C(C)C)O[SiH](C(C)C)O1"]
["79888713","[141Ar]"]
["46374462","C[Se+]"]
["54522831","[U+2].[U+2].[U+2]"]
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["195373149","[C-]#N.[U+2]"]
["49917905","C[N-]C.[CH3-].[U+2]"]
["46209189","O.[U+2]"]
["60531985","[Au+].[U+2]"]
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["63536885","[Hf+4].[U+2]"]
["48968544","[CH3-].[NH-]P.[U+2]"]
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["175545437","[C-]#N.[Cu+].[Ni]"]
["58679715","[11C-]#N.[Cu+]"]
["63498369","[Ag+].[Au+].[Cu+]"]
["60771263","[Cu+].[Cu+].[Cu+]"]
["47870523","[Ag+].[Cu+]"]
["62551419","[Cu+].[Fe+2].[Fe+2]"]
["61072870","[Cr+2].[Cu+]"]
["198801650","[Ce].[Se-2]"]
["44958777","[Ag+].[Fe+2]"]
["22792182","[Se-2].[Sr+2]"]
["198801658","[Se-2].[Yb+2]"]
["79952619","[N-]=[N-].[Ni+].[Ni+]"]
["1098460","[Ni+]"]
["175689906","[N-]=[N-].[Sn+].[Sn+]"]
["47118940","C[Cl+]S[N]N=[N-]"]
["1106191","[N-]=[N-]"]
["172609251","[CH2-]C=[N-].[Fe+4].[S-][S-]"]
["175779043","[N-]=[N-].[Sb+].[Sb+]"]
["79709743","[Al+].[Al+].[N-]=[N-]"]
["63871030","[78As]"]
["180485520","CC12CC[C@](C)(C1)[I-]2"]
["48024947","[N-]=[N+]=N[AsH]N=[N+]=[N-]"]
["175753430","[Ga+].[Ga+].[N-]=[N-]"]
["176122406","[Ce].[Ru].[Zr]"]
["157674940","CC[N-]CC.[Ce].[Zr]"]
["78088707","[Zr].[Zr]"]
["91267937","[Ce].[In].[In]"]
["79886027","[Al].[Ce].[Zr]"]
["1103116","[Ru]"]
["160995745","[Ce].[Ru].[Sn]"]
["159042415","[Ce].[Cr].[Zr]"]
["159944962","[Ag].[Ag].[Zr]"]
["91008046","[Ru].[Ru].[Zr]"]
["61529974","[H].[Ru]"]
["175471412","O=O.[Ce].[Zr]"]
["200575556","[Cu+2].[Fe+2].[Zn+2]"]
["1105541","[Ru+2]"]
["67759872","[Ru+2].[Tl+]"]
["101724989","O=C(O)O.[Cu+2].[Cu+2]"]
["193101118","O=P([O-])([O-])OP(=O)([O-])[O-].[Fe+2].[Zn+2]"]
["65155374","[Fe+2].[Sr+2]"]
["68036076","[Fe+2].[Tl+]"]
["19073936","[Cu+2].[O-2].[Zn+2]"]
["68606871","[Mn+2].[Zn+2]"]
["190915370","[Cu+2].[In+3].[Zn+2]"]
["97072870","[C+].[Os]"]
["23651764","[C-]#N.[C-]#N.[Zn+2]"]
["78149266","[PH4]"]
["172106383","[2H][P]([2H])([2H])[2H]"]
["63600841","[143La]"]
["22899167","[2H]C(Cl)(Cl)C([2H])(Cl)Cl"]
["159115125","[2H]C(Cl)(Cl)C([2H])(Cl)Cl.[2H]C(Cl)(Cl)C([2H])(Cl)Cl"]
["175672260","[184Lu]"]
["99301464","IP(I)OP(I)I"]
["145671914","B=C=PP"]
["55056913","[231Th]"]
["185700047","B#C[CH2-].[Zr]"]
["159600183","O=[P+]=O.[Tc+5]"]
["79075012","F[SiH2][GeH3]"]
["175984726","B#CN.[V]"]
["175672648","[259Rf]"]
["67717097","B#C[CH2-].[Y]"]
["176322398","O=[P+]=O.[Mn].[Ni]"]
["91080433","B#CO"]
["181192590","ClC(Cl)(Cl)[ClH+]"]
["52569273","O=[P+]=O"]
["196526612","B#CS.[K+]"]
["42159233","[CH-].[CH3-].[Yb+2]"]
["59286543","[CH3-].[Np]"]
["641783","[Yb+2]"]
["175672339","[197Ir]"]
["48261642","[CH2-]CCC.[CH3-].[Yb+2]"]
["97054043","[2H][C-]([2H])[2H]"]
["101303548","[H].[H].[Yb+2]"]
["58252973","[CH3-].[Pr+3]"]
["55178555","[CH3-].[Cd]"]
["54867847","[CH3-].[CH3-].[Sr+2]"]
["167187088","[CH3-].[CH3-].[Sc]"]
["185863330","[CH3-].[Ti+4]"]
["175671837","[141I]"]
["78469148","S[PH](Cl)(Cl)Cl"]
["61393677","[Hg+2].[O-][Cl+3]([O-])([O-])[O-]"]
["79032617","C[PH](C)(C)C.[PH5]"]
["67161713","[Hg+2].[Zn+2]"]
["161510053","[3H]P(F)(F)(F)F"]
["47341451","[Hg+2].[V+2]"]
["66287940","[Br-].[Hg+2]"]
["55217590","[Hg+2].[Pb]"]
["48603236","CI.[Hg+2]"]
["161911262","N#C[NH-].N#C[NH-].[Hg+2]"]
["91586430","[F-].[Hg+2].[N-]=O"]
["172707507","[Ca+2].[Ca+2].[Mn]"]
["79823924","[Mo].[Ti].[Ti]"]
["173430882","[Mn].[SeH]"]
["99703209","[C-]#N.[Ca+2].[Mn]"]
["91593957","[Au].[Mn].[Sn]"]
["50294780","[Ca+2].[Sr+2].[Zn+2]"]
["161463870","[Cr].[Mn].[Nb]"]
["161608235","[Bi].[Mn].[Mo]"]
["173139359","[Mn].[SH-].[Ti]"]
["157976875","[Mn].[Mo+4]"]
["172741133","[Ca+2].[K+].[Se]"]
["190745376","O.[Ca+2].[S]"]
["56746429","[51Ti]"]
["102928727","[nH]1[nH]c2c1-c1[nH][nH]c1-c1[nH][nH]c1-c1[nH][nH]c1-2"]
["78443602","[C-]#[O+].[Ra].[Rb]"]
["25679542","FNC(NF)(NF)NF"]
["161119046","[Nb].[Ni].[Ra]"]
["162260758","[Ag].[Ra]"]
["45687616","[Li+].[Ra].[Ra]"]
["159852647","[Bi].[Ra]"]
["79091740","[Ra].[Th]"]
["99221124","N#[P+]Cl"]
["170534897","C[SiH2-](Cl)Cl"]
["78423326","[NH].[Ra].[Rb]"]
["168802630","[SH3+].[SH3+]"]
["190837427","Cl.[SH3+]"]
["192459654","[NH4+].[PH4+].[SH3+]"]
["196016349","[Ar].[SH3+]"]
["191601528","[Co+2].[SH3+]"]
["191338258","[BH4-].[SH3+]"]
["78358138","[S-2].[SH3+].[SH3+]"]
["193492549","[Mo+4].[SH3+]"]
["194392566","N[NH3+].[SH3+]"]
["191433069","[Na+].[SH3+]"]
["78198675","[Al].[H-].[SH3+]"]
["66769567","F[As-](F)(F)(F)(F)F.[SH3+]"]
["175728637","[Ag].[In].[Y]"]
["55580746","[In].[Ni]"]
["159284726","[Cd].[In].[In]"]
["91634589","[In].[Mn].[Y]"]
["162241407","[Ag].[Ge].[In]"]
["191933129","[Cd].[Y].[Y]"]
["66478991","[Ag].[Cd].[In]"]
["192983956","[In].[In].[In]"]
["157262176","[Cd].[In].[Ni]"]
["174225218","[Ar].[Y]"]
["185383729","FF.[Y]"]
["160379927","[Ag].[Th]"]
["78982521","[H+].[SH2+2]"]
["79333785","[H+].[NH4+].[NH4+]"]
["48772383","[Ag].[H+].[Na+]"]
["79246408","[Cl-].[F-].[SH2+2]"]
["79384585","[H+].[Y]"]
["79005497","[H+].[H+].[PH5]"]
["166621055","[H+].[Ne]"]
["79967037","[Cl-].[Cl-].[SH2+2]"]
["200453879","[H+].[H+]"]
["174618928","Cl.[Cr].[H+]"]
["59984051","[H+].[OH3+]"]
["56678883","[H+].[Na+].[O-2]"]
["175949230","P.P.[Au+3]"]
["79046600","P.S.[SiH4]"]
["79594850","P.[Cd]"]
["65433372","P.P.[Ir+3]"]
["60011074","P.[Si]"]
["66340272","P.[C-]#N"]
["175025749","P.[CH3-].[Fe]"]
["60347926","P.[Mn+2]"]
["91578151","P.[Sn].[Sn]"]
["174705447","P.[SiH4].[Ti]"]
["172723983","P.[Fe].[Nb]"]
["42591036","P.[Pd]"]
["196016538","[Sb+3].[Sb+3]"]
["161658495","[CH-]=CC=[CH-].[Zn+2]"]
["174622224","O=[Te](=O)(O)O.[Er]"]
["161722727","[CH-]=CC=[CH-].[Ni+2]"]
["173422726","O[PH]1(O)OO1.[V]"]
["168862375","O[PH]1(O)OO1.[Li+]"]
["42532701","[In+3].[Sb+3]"]
["66691373","[Hf+4].[Rb+].[Sb+3]"]
["68758193","[Sb+3].[Th+2]"]
["174574629","O=[Te](=O)(O)O.[Pr]"]
["173001625","O=[Te](=O)(O)O.[H-].[K+]"]
["48728927","[CH-]=CC=[CH-].[W+2]"]
["24081847","[Br-].[Cs+]"]
["191230172","[Br-].[OH-]"]
["21585096","S.[Cs+]"]
["48122929","[Br-].[Br-].[Sn+4]"]
["79619325","[C-]#N.[Cs+].[Ni]"]
["78593544","Cl.[Br-].[Cu+]"]
["67572050","[Al+3].[Cs+].[F-]"]
["43905665","[Br-].[CH3-].[Zn+2]"]
["50678194","[Br-].[Br-].[In+3]"]
["43135453","[Cl-].[Cs+].[Cs+]"]
["200580637","[Br-].[Br-].[Na+]"]
["174847592","NBr.[Ag].[O]"]
["174235079","S.[GeH4].[TeH2]"]
["83218637","[GeH4]"]
["65005910","S.[Ni]"]
["48520577","S.S.S"]
["78564009","S.S.[Ni]"]
["175575212","C.[GeH4].[TeH2]"]
["174602874","S.[Cd].[TeH2]"]
["51397674","S.[Th]"]
["174915751","S.[Fe].[GeH4]"]
["175075271","S.[Ni].[TeH2]"]
["163914725","Br[B-](I)(I)I.CC[N+](C)(CC)CC"]
["79659818","S.[Ga].[GeH4]"]
["55033332","[Pd+2].[Sn+4]"]
["22852140","[C-]#N.[C-]#N.[Pd+2]"]
["67325401","[Au+].[Pb].[Pd+2]"]
["175728420","[PH4+].[Pd+2]"]
["78374824","[GeH3-].[GeH3-].[Pd+2]"]
["55546281","O.[Cl-].[Sn+4]"]
["190531872","[K+].[O-2].[Sn+4]"]
["54899156","[Ni+2].[Ni+2].[Pd+2]"]
["24344700","[Se-2].[Sn+4]"]
["174248864","[NH2-].[OH-].[Pd+2]"]
["79491222","[Al].[Pd+2].[S-2]"]
["51616505","[Os+2].[Pd+2]"]
["79353076","[59SH2]"]
["43379109","[SeH]P([SeH])[SeH]"]
["175671623","[120Cd]"]
["97489294","[2H]Br.[2H][N+]([2H])[2H]"]
["96937913","[CH]C[SiH3]"]
["101302436","Br.[NH3+]"]
["91197442","[Si]#[N+][S-]"]
["78648653","CS(#P)=P"]
["101304719","N#CO.[NH3+]"]
["1099327","[NH3+]"]
["79401525","[NH3+].[NH4+]"]
["78596630","C[SH](=N)=N"]
["173162625","[B+]=[SiH3-].[Nb]"]
["174924816","[B+]=[SiH3-].[Y]"]
["174472753","[B+]=[SiH3-].[Zn]"]
["173082292","[B+]=[SiH3-].[Co].[Fe]"]
["78964342","N#N.[Nb]"]
["42597094","[K+].[SiH2]=[SiH3-]"]
["90997390","[Nb].[Nb].[Ni]"]
["173129606","[B+]=[SiH3-].[Cu].[Zr]"]
["65151309","[3H]COCOC[3H]"]
["175402341","[B+]=[SiH3-].[Nd]"]
["175672626","[256Cf]"]
["173373719","[B+]=[SiH3-].[Co]"]
["171897336","[3H].[Pt]"]
["91331688","[Dy].[Dy].[Pt]"]
["79302142","[K+].[K+].[Pt]"]
["174888483","[Au].[Pt].[SiH3]"]
["79224790","[Ga].[H].[O]"]
["91417519","[Ga].[Gd].[Pt]"]
["60557886","[Au].[Au].[Pt]"]
["175888275","[Au].[Ga].[Zn]"]
["48045652","[Hg].[Hg].[Pt]"]
["193420695","[CH3-].[OH3+].[Pt]"]
["185393517","O.[Pt].[Zn]"]
["91331694","[Gd].[Gd].[Pt]"]
["158962943","[At].[Sn]"]
["44001226","[CH3].[S].[Sn]"]
["67862561","[Fe].[Sn]"]
["61957459","[Sb].[Sn]"]
["84188164","[N].[Sn]"]
["46220360","[O].[Sn].[Ta]"]
["172705350","[Na+].[Sn].[Ti]"]
["49151029","O.[O].[Sn]"]
["161671574","[Pb].[Pb].[Sn]"]
["159037389","[Co].[Fe].[Sn]"]
["190889460","NN.O.[Sn]"]
["43707140","[GeH4].[Sn]"]
["185623723","[Hg].[Hg].[Se]"]
["57920808","[Cd].[Hg].[S]"]
["157312762","[Fe].[Ni].[Se]"]
["64694971","[Hg].[Xe]"]
["78602122","[GeH4].[Sb].[Se]"]
["79608351","Cl.Cl.[Se]"]
["173922942","O.[Hg].[O]"]
["33321330","S.[Hg].[Se]"]
["91174678","[Li+].[Ni].[Se]"]
["52293079","[Hg].[TeH]"]
["175936418","[Fe].[Se].[Ta]"]
["158142131","[Hg].[Ho].[In]"]
["54071306","[48Ca+2]"]
["48276916","[CH-]=O.[CH2-]N.[Y]"]
["56579952","[CH2-]C.[CH3-].[Dy]"]
["91338974","C#[P-](C)(C)C.[CH2-]C.[Mg+2]"]
["42757252","[2H][CH-]Br.[Li+]"]
["65350399","[CH2-]CC[CH2-].[W+2]"]
["61783009","[CH2-]C.[Rb].[Rf]"]
["52151419","[CH2-]CC[CH2-].[Ta+2]"]
["173232003","[CH-]=O.[CH2-]C.[Mg+2]"]
["175703898","[CH2-]C.[OH-].[Ti]"]
["171787218","[CH2-]C.[CH2-]C.[Sm]"]
["79167535","[CH2-]Br.[Mg+2]"]
["175671802","[137Eu]"]
["23229337","[C-]#[18O+]"]
["97663654","[2H][C+]=[F+]"]
["91553264","[CH2+]CC[CH2+]"]
["48752963","[15N]#[18O+]"]
["68152814","[Ge][O+]=[Ge-]"]
["97525081","B1C2NC1N2"]
["91114810","O=[Si]S"]
["24057221","[13C-]#[18O+]"]
["79906090","[Br].[Ir]"]
["175754541","[Ir+3].[Ir]"]
["59184662","[Ir].[OH-].[OH-]"]
["78486560","[Ir].[N]"]
["159144536","[Ir].[Ru+2]"]
["193697359","[Ag+].[Cl-].[Ir]"]
["79018134","[Ir].[Ru].[Ta]"]
["33448360","[Ag+3]"]
["171606459","[C-]#N.[C-]#N.[Ir]"]
["173437585","[Ir].[O-2]"]
["91101864","[Ir].[Nb].[Sb]"]
["48581756","[Ir].[Nb]"]
["79575509","[18B]"]
["91260169","[S+]#[Ge-].[Sb]"]
["176223173","[Al].[Li+].[O+]#[Ge-]"]
["161661474","[Ge+]#[Ge-].[Ge+]#[Ge]C=[Ge-]"]
["63620508","[CH2+]C=[Ge-]"]
["91179792","[Ge+]#[Ge-].[Ge+]#[Ge-].[Ge+]#[Ge-]"]
["190999439","[O+]#[Ge-].[Sn]"]
["54756253","[Ge-]#[Te+]"]
["91436353","[Ge+]S#[Ge-].[SH-].[SH-]"]
["79192882","[Cu].[O+]#[Ge-]"]
["176027490","N.[Ge-]#[Se+].[Sb]"]
["79941150","[Be].[O+]#[Ge-]"]
["97027742","[N][S+]=[N]"]
["25704382","[N]CC[N]"]
["32746228","[46Sc]"]
["79579746","[I].[Sc]"]
["173894464","[CH-]1CCI=N1"]
["58449133","[148Sm]"]
["48687138","[SH-].[Sc]"]
["59482016","[Sc].[Sc]"]
["45786989","[Sc].[Sc].[Sc]"]
["96787715","[N]=[S+]/C(C#N)=C(/C#N)[S+]=[N]"]
["26198495","CCC(=[N])CC"]
["82239479","[NH].[Sc]"]
["96840738","[F+]=C=C=[P-]"]
["91245253","O=C=C=[F+]"]
["172280482","[Bi].[Bi].[CH-]=C[CH2+]"]
["97300872","FN(F)[C]=[F+]"]
["91212857","C=C=[F+]"]
["161889753","[CH-]=C[CH2+].[Fe]"]
["97215089","[O-]N=C=[F+]"]
["61474684","CI=C=[11CH-]"]
["100929281","[F+]=C=C=[GeH-]"]
["176010959","O.[Bi].[CH-]=C[CH2+]"]
["53637456","[CH-]=C=S.[V]"]
["78507678","N#C[BH-](C#N)C#N.[Ag+]"]
["79015419","[CH3].[Cd].[H]"]
["175467019","OC=C1C(O)C(=CO)C(O)C(=CO)C1O"]
["100850128","[CH3].[Ca+2].[H]"]
["64489267","[Cd].[SH-]"]
["78696445","[CH3].[H].[Mg+2]"]
["100851242","[CH3].[H].[In+]"]
["79015420","[CH3].[Cd].[H-]"]
["79246404","[CH3].[H].[Hg]"]
["100878577","[CH3].[H].[W]"]
["101031782","[H].[H].[Ni+2]"]
["100854860","[CH3].[Cu].[H]"]
["78166207","[CH3].[H].[Zn]"]
["175671479","[105Tc]"]
["96985989","[C-]/C=C/[C-]"]
["91358381","[Pa].[Rh]"]
["172147451","[Pa].[Pa].[Pa]"]
["97518623","[C-]/C=C\\[C-]"]
["68220245","[CH3-].[Pa]"]
["174548871","[Nd].[Pa]"]
["78826335","[Pa].[Th]"]
["54953410","[17O]=P(=[17O])[17OH2+]"]
["174756794","[B].[Fe].[Pa]"]
["26155205","[2H][C]=O"]
["175671468","[104Y]"]
["52617432","[3H]N=I[3H]"]
["191808485","C.C.[3H]N=C=C"]
["60088290","[3H]P(=N)(P)P"]
["51384650","[3H]N=BS"]
["74517391","[3H]N=c1[nH]c([3H])c([3H])c(=N[3H])[nH]1"]
["177077526","[3H]N=NP[B]"]
["168519820","[NH]SN=[Se]"]
["184818364","[3H]I=S=C(O)[C@H](C)O"]
["47394068","[3H]N=PC"]
["187036131","[2H][I]N([3H])[3H]"]
["63151427","[114Sn]"]
["179626989","N=C([S-])Cl"]
["174785286","[Ne].[SiH4]"]
["79791385","[Ge].[SiH4].[Si]"]
["172833916","O.[Si].[Ti]"]
["79590741","[N].[Si].[Zr]"]
["78997025","[B].[Si].[Ta]"]
["192472077","[SiH4].[SiH4].[Si]"]
["78172805","[F-].[Li+].[SiH4]"]
["160076604","[Si].[Ta].[Zr]"]
["79157773","[GeH4].[Si]"]
["79912002","[Ni+2].[O-2].[Si]"]
["78973835","[K+].[SiH4]"]
["79096390","[In].[Ne]"]
["175671776","[135Sb]"]
["166782761","[92SH2]"]
["79730573","[149Pr]"]
["50599733","[S-]CC[S-]"]
["83170805","OB(P)P"]
["48234345","[B]=BN"]
["96745437","C=[SiH]F"]
["174888708","[27PH3]"]
["197060974","[18O][18OH]"]
["78288087","[Cl-].[O][SH+]([O])=O"]
["175671219","[73Zn]"]
["161881793","ClP1CP(Cl)C1"]
["157292598","[He].[Rn]"]
["60506677","[He].[He].[Li+]"]
["79232598","[He].[Kr].[N]"]
["101472976","[Bi+3].[Ge+4]"]
["50850984","[Ba].[He]"]
["191498749","[He].[NH4+]"]
["157197027","[Bi].[He]"]
["5491825","[72Br]"]
["61475656","O.[Bi+3]"]
["79297554","[Cl-].[He].[O]"]
["164782295","[Bi+3].[O].[V]"]
["194182532","[Bi+3].[S-2].[Zn+2]"]
["91304828","[Se]1[As]2[Se][As]3[As]1[As]3[Se]2"]
["91678688","[Se]1P2[Se][As]3[As]1[As]3[Se]2"]
["166537644","[97Ar]"]
["1100163","[Ar+]"]
["79294689","[106Fe]"]
["33798492","[68Ga+3]"]
["97032015","C[C@]12[Se][C@]3(C)[Se][C@](C)([Se]1)[Se][C@](C)([Se]2)[Se]3"]
["63934954","CC12[Se]C3(C)[Se]C(C)([Se]1)[Se]C(C)([Se]2)[Se]3"]
["33419787","[Mn+6]"]
["175671069","[49K+]"]
["33242331","[129Cs]"]
["91042754","S1[As]2[Se][As]3[As]1[As]3[Se]2"]
["79138263","[131Pb]"]
["91571212","S[As](S)Cl"]
["174767149","P[P+](Br)(Br)Br"]
["49526249","S[As](Cl)Cl"]
["190074248","C[Ge](N)N"]
["91089950","n1nss1"]
["91480849","S[As](S)[Se]"]
["161924027","C[As](S)S"]
["79071791","C[Ge](C)N"]
["175672568","[242Cf]"]
["61720287","[Si]#[N+][P-]Br"]
["63515554","S[As](S)S"]
["175672176","[173Dy]"]
["57945116","[2H][N+](=C)C"]
["175316247","[NH2+]1OS1"]
["176142565","C1=[SiH][SiH]=[SiH]1"]
["97635079","[SiH]1=[SiH][SiH]=[SiH]1"]
["175672374","[203Rn]"]
["79698779","[8Ti]"]
["185272947","N1ONONO1"]
["79796506","CB[SiH3]"]
["148967475","O=[SiH]B[SiH3]"]
["170055174","O1OC1=C1OO1"]
["97300980","C[As]1[AsH][AsH]1"]
["79426151","[Dy].[N].[N]"]
["174056132","[Dy].[O].[Ti]"]
["78275509","[Bi].[N]"]
["79545975","[Ce].[N].[N]"]
["175782395","[Al].[Dy].[Lu]"]
["79734033","S.[N].[V]"]
["174986218","[Dy].[NH2-].[NH2-]"]
["79904779","[Cr].[N].[Ni]"]
["91011772","[Dy].[Sb].[Sb]"]
["78388110","[Cr].[N].[Ti]"]
["78458639","[Dy].[Sc]"]
["190712034","[Dy].[O-2].[Ti]"]
["191771251","[IH2+].[Zr+4]"]
["172811001","[IH2+].[O-2].[Ti+4]"]
["78979704","[PH2-].[PH2-].[Ru+2]"]
["185399533","[IH2+].[K+]"]
["190483236","[Ce].[Zr+4]"]
["191358674","[IH2+].[K+].[O-2]"]
["79936967","[Cl-].[SeH2+]"]
["24378620","[Zr+4]"]
["200579712","[IH2+].[PH4+]"]
["33031802","[Se-2].[Se-2].[Zr+4]"]
["196016528","[Ti+4].[Zr+4]"]
["100532499","[Nb].[PH2-].[Ti+]"]
["78282770","[C][N+]#[C-]"]
["193776540","[C-]#[N+]/C(C(=N)O)=C(\\C)N"]
["172595279","[C-]#[N+]CCCSSCCC[N+]#[C-]"]
["26759516","[C-]#[N+]C[N+]#[C-]"]
["197311126","[C-]#[N+]C(C)CC(C)(C)C"]
["43838327","[C-]#[N+]N1CCCC1"]
["161912291","[C-]#[N+]O.[C-]#[N+][O-].[Zn]"]
["83294019","[C-]#[N+]C[Si](C)(C)C.[Tc]"]
["25689829","[C-]#[N+]C(=O)OC"]
["191846867","[C-]#[N+]CC(C)C.[HH]"]
["150096900","[C-]#[N+][C@H](N)C(C)C"]
["172286558","[C-]#[N+]C(C)C(C)[N+]#[C-]"]
["27309009","[57Co]"]
["79151520","F[N-]F.[Li+]"]
["96972111","[c]1c[cH+]1"]
["91119161","F[N-]F.[Pb+]"]
["32332292","Cl.[2H][13C]([2H])([2H])N"]
["78433075","Cl.[2H]C([2H])([2H])[15NH2]"]
["91119325","F[N-]F.[Sn+]"]
["121010040","[2H]C([2H])([2H])[15NH2]"]
["45545090","F[N-]F.[K+]"]
["170538557","[2H][I-]P.[K+]"]
["26334592","S[CH]S"]
["183879710","S[CH]S.[Hg]"]
["175670891","[17N]"]
["190661392","CO.[2HH].[3H]C"]
["173457018","F.O=C=O.[2HH]"]
["192019060","C.[2HH].[2H]C[2H]"]
["191283024","[2HH].[Tb].[Th]"]
["200449666","[2HH].[2HH]"]
["173069722","CI.[2HH]"]
["193594699","P.[2H][3H]"]
["79215923","[2H][2H].[Hg]"]
["192759911","[2HH].[3HH].[3HH]"]
["194053866","CC.CN.[2HH]"]
["192573068","[2H][3H].[BH2]"]
["197042270","[13NH]"]
["78225969","C[AsH2]=S"]
["100906352","[C]1=PC1"]
["154297978","O[Cl+](O)(O)[O+]=[Cl+]"]
["101391037","B#P(S)S"]
["97043908","C[AsH]S[AsH]C"]
["57734707","[230Th]"]
["33288301","[14cH]1[14cH][14cH][14cH][14cH][14cH]1"]
["96576345","NC=C1C(=CN)C(=CN)C1=CN"]
["33193353","[14CH2]1N2[14CH2]N3[14CH2]N1[14CH2]N([14CH2]2)[14CH2]3"]
["79255671","Cl[PH3]Cl"]
["19858541","C[PH+](C)C[PH+](C)C"]
["78989288","[PH].[P]"]
["42118859","[PH].[Zn]"]
["79092292","[Fe].[Li+].[P]"]
["79373409","[Co].[P].[Zr]"]
["24471812","[Cr].[P]"]
["67393339","[Co].[P]"]
["79484611","[Li+].[O].[P]"]
["79051070","[Al].[K+].[P]"]
["79387900","[As-3].[Ga+3].[P]"]
["78126364","[Bi].[P].[V]"]
["175671504","[108Tc]"]
["177450664","[100Ti]"]
["79629022","[117Ar]"]
["79100812","O[SiH](O)O.[Na+]"]
["175094655","Cl.O[OH2+]"]
["175709928","C1[SiH2]S1"]
["91176316","C1C23CC12S3"]
["96642774","N[C+]O"]
["96851452","C[C+]O"]
["62369922","O[SiH](O)O"]
["45181676","O=[C+]O"]
["79312773","O[OH2+].[H+].[S-2]"]
["52830245","C=C(O)[OH2+]"]
["168758053","N[SiH2][Si](N)(N)N"]
["34669777","[154Gd]"]
["79290381","On1n(O)n1O"]
["173115111","O[As](O)(O)=S.[H-].[Na+]"]
["173181940","O[As](O)(O)=S.[H-].[Li+]"]
["79910041","[SiH3]CSC[SiH3]"]
["63556624","[245Pu]"]
["26164350","COOOC"]
["79194649","O[As](O)(O)=S.[Na+]"]
["42147598","SOOOS"]
["79194921","O[As](O)(O)=S.[K+]"]
["79406294","O[As](O)(O)=S.[Li+]"]
["50991066","[Na+].[Na+].[S-]OOO[S-]"]
["157894381","[Gd].[Os].[Th]"]
["181540408","CO.OC(Cl)(Cl)Cl.[Os]"]
["51256399","[Np].[Os].[Os]"]
["68137617","C=C1[N]C(=C)C(=C)C1=C"]
["655286","[Os]"]
["158948207","[Gd].[Th]"]
["59628837","[NH].[Os]"]
["174540548","O=S(O)(O)=S.[Gd]"]
["79156597","[Gd].[I]"]
["642328","[Gd]"]
["192741047","CO.[Th]"]
["79352230","[Ni].[Os]"]
["154904424","[121Nb]"]
["101141811","P=C=[GeH2]"]
["91353632","s1c2c3sc3c3sc3c12"]
["96514547","O[As]1C=C1"]
["100959475","C=[N+]=[P-]"]
["198412509","[N-]=NC=[Si]"]
["66752658","[N-]=NC=[Si+]"]
["101001684","[N]=C=C=[GeH2]"]
["189162141","O=[SH]N[SH]=O"]
["79678041","[3H][C][3H]"]
["181615684","O=C=[GeH2]"]
["63128581","POPOP"]
["44041839","[Hf].[Ta]"]
["79343711","[Nb].[Ta].[Zr]"]
["158992373","[Ar].[Hf]"]
["78114057","[Hf].[Pb]"]
["51839724","CC[N+](C)(CC)C[N+](C)(C)C"]
["158635919","[O-2].[Ta].[Ta]"]
["175474413","[Ce].[Ta].[Ti]"]
["78095210","Cl.[Al].[Hf]"]
["101726676","[O].[Ta].[V]"]
["161907378","[Hf].[Pm]"]
["157897894","[B].[Co].[Hf]"]
["175455955","[Cr].[Ta].[Y]"]
["193321633","[H-].[H-].[Nd]"]
["79585870","Cl.[Al].[H-]"]
["173846907","[Fe].[Nd].[Ru]"]
["173116556","[Ag].[H-].[Na+]"]
["65722639","O.[H-].[K+]"]
["193040239","[F-].[H-].[K+]"]
["48901927","[B].[H-].[K+]"]
["43662303","[Cd].[H-]"]
["91564017","[Co].[Ge].[Nd]"]
["103041830","[F-].[F-].[Nd]"]
["175491561","[Nd].[Y].[Zr]"]
["175315685","[Cd].[Ce].[Nd]"]
["91537189","B1=BN1N1B=B1"]
["78205291","[293Pb]"]
["161743355","CN1[B]N=NN1C"]
["178842575","CN1NN=NC12CO2"]
["199753275","CN1[B]P1"]
["173964207","CN1[B]NCC1"]
["79937490","O[Si]12ON(O1)O2"]
["101782756","[130Pb]"]
["189780640","b1bbbbb1"]
["79678395","[100Ta]"]
["171914404","ClN1C=CN(Cl)N1Cl"]
["175671675","[125Ba]"]
["79422255","[158Pt]"]
["68086694","[O-][Cl+](O)(O)O"]
["79247495","[Al-3].[Cr+3]"]
["79762173","[Al-3].[Al-3].[U+6]"]
["79082646","[Al-3].[Ni].[Y+3]"]
["79830352","[Al-3].[Fe+3].[Ni]"]
["159975755","CC(C)(C)P.CC(C)(C)P.[Pt]"]
["99510596","Br.Br.CC(C)(C)P"]
["27081148","C[Si](C)(I)I"]
["78335482","CC(C)(C)P.[P]"]
["27304250","[99Tc+2].[S-2]"]
["173263643","[CH2].[Tc+2]"]
["173148032","[GeH3].[SeH]"]
["53178036","[Ni].[SeH]"]
["173430331","[Au].[GeH3].[SiH3]"]
["50674448","[GeH3].[SiH3]"]
["174490155","[Au].[SeH]"]
["83226541","[GeH3].[GeH3].[GeH4]"]
["173152756","CCC.[CH2-]CC.[Y]"]
["185491078","[GeH3].[GeH4]"]
["63050691","[GeH3].[K+]"]
["175798771","[GeH3].[OH-]"]
["83222623","[GeH3].[GeH3].[TeH2]"]
["173054165","[SeH].[Zn]"]
["78967991","[62Ar]"]
["184797452","[3H]SC.[Fe]"]
["46503414","[3H]SC"]
["33048628","[110In]"]
["174455880","C[N+]1(C)C#C1"]
["156271243","[1H]SC"]
["42173732","C1C23C[N+]1(C2)C3"]
["79558534","[N]C(Cl)(Cl)Cl"]
["91580599","O1O[N+]12OO2"]
["31991301","[Cu+6].[NH-]CC[NH-].[NH-]CC[NH-]"]
["91424490","C12C3C4C1[N+]234"]
["96589143","[O+]#[74Ge-]"]
["78959184","[Ho].[Yb]"]
["175246452","O.[Co].[Yb]"]
["100808520","[Fe].[Ho].[Y]"]
["47751328","[Bi].[Ho]"]
["162256121","[Ru].[Yb]"]
["172859356","[Li+].[Yb]"]
["79157267","[Sm].[Yb]"]
["175590952","[Ni].[S].[Yb]"]
["174982684","[Ce].[Yb].[Yb]"]
["147769569","[Ho].[Ho]"]
["175749859","O.[Al].[Ho]"]
["78276122","O.O.[Yb]"]
["33191094","[90Zr+4]"]
["58096392","Br[PH2+]Br"]
["173587621","[B+]=[B-]1B=B1"]
["67775477","N1PC12NP2"]
["33072043","C#C[123I]"]
["183680825","C[PH2+]Br"]
["51348632","[228Ac]"]
["62475741","P12[As]3[As]1[As]23"]
["175672330","[196Re]"]
["91524244","[nH]1[pH]s1"]
["78358228","[nH]1[nH][pH]1"]
["101304045","C=[PH2]C=[PH3]"]
["175451656","[Ni].[SeH][TeH]"]
["52687840","[Ni].[Ni].[Sc]"]
["174910123","[Cd].[SeH][TeH]"]
["59685275","[Ni].[Sc]"]
["58049768","[Ni].[SH-]"]
["79577954","[NH].[NH].[Ni]"]
["175100882","[Fe].[Ni].[SeH][SeH]"]
["174235080","[GeH4].[SeH][TeH]"]
["1096990","[Gd+2]"]
["79810105","[I].[Ni]"]
["43610062","[Ni].[Ni].[Ni]"]
["174054257","[Ag].[SeH][TeH]"]
["175672419","[210Ac]"]
["160250118","ON=NO.ON=NO"]
["79095068","[SiH-]=[O+][SiH3]"]
["26529228","[CH2]SC"]
["171970814","[2H][Se]([PH])=P"]
["52003884","ClC(Cl)[P+](Cl)(Cl)C(Cl)Cl"]
["78272920","Cl.ON=NO"]
["173422569","ON=NO.[Cs+]"]
["64883990","[SiH][O+]=[SiH-]"]
["91394051","N[As]S"]
["79582397","[OH+]1[SiH2][OH+][SiH2][OH+][SiH2][OH+][SiH2]1"]
["91146679","ON=NO.ON=NO.[Pb+2]"]
["78119132","[Mn+3].[P-3]"]
["172721351","[K+].[Mn+3]"]
["185633021","[Mn+3].[NH2-].[NH2-]"]
["53410446","O.O.[Mn+3]"]
["65438508","[P-3].[P-3].[U]"]
["163446581","[P-3].[Tm+3]"]
["79128702","[10Si]"]
["79913028","[Al+3].[P-3].[Y]"]
["79096170","[P-3].[Y+3]"]
["1104913","[P-3]"]
["79851521","[Al].[Fe+3].[P-3]"]
["174938211","CC.CC(C)O.CP"]
["79932152","[264Pb]"]
["78277194","C[Te+]C.I.I"]
["97582561","c1[cH+][cH+]c#1"]
["79957239","[SeH][Te+][SeH2+]"]
["79212964","BrC(Br)C(C(Br)Br)C(Br)Br"]
["25483107","[CH+]1C[CH-]C1"]
["175670904","[20Na+]"]
["100849653","[CH+]1C[CH+]C1"]
["194808280","B#I1N=P1"]
["168519156","[Si-]#P1[CH+]P(#[Si-])[CH+]1"]
["173377084","[SeH][Te+][SeH]"]
["175671958","[153Nd]"]
["175671251","[77Cu]"]
["159050117","[Pr].[W]"]
["91002779","[Pr].[Pt]"]
["79037742","[Fe].[Pr]"]
["79881756","[B].[Pr]"]
["193250933","[F-].[F-].[Pr]"]
["91424404","[Co].[Ga].[Pr]"]
["79094977","F.[Pr]"]
["175271917","OP.[Pr]"]
["43654981","[Al].[Pr].[Zr]"]
["62767604","[Cd].[Pr]"]
["175751209","[Pm].[Pr].[Sm]"]
["175671873","[145I]"]
["191645646","Br[C-](Br)Br.[Ti]"]
["172703843","C[C-](C)C.[Mn]"]
["175700348","C[C-](C)C.[Li-]"]
["101304742","C[C-](C)[NH3+]"]
["97277746","Br[C-](Br)Br"]
["100858161","[NH3+][C-]([SiH3])[SiH3]"]
["185382646","C[C-](C)C.[La]"]
["60298428","C[C-](C)C.[W]"]
["175672184","[173Au]"]
["99787749","Cl[C-](Cl)Cl.[Pd]"]
["172458048","O[C-](O)O.[Re]"]
["34728208","[125Sn+4]"]
["174870946","FC(F)F.[SeH2]"]
["59398599","FC(F)F.O"]
["50349669","PSPSP"]
["192940358","FC(F)F.[Pt]"]
["173647518","F[P+](F)(F)F.S"]
["191591228","FC(F)F.[Ir]"]
["101303066","FC[PH4]"]
["196746641","FC(F)F.[Y+3]"]
["158846990","FC(F)F.FC(F)F.[Ru]"]
["191263894","FC(F)F.[H-]"]
["173405094","F[P+](F)(F)F.N"]
["79816190","[95W]"]
["150009547","[NH2+]1PC12[NH2+]P2"]
["175672460","[219Bi]"]
["148808432","P1=P2=PB12"]
["175671056","[46K+]"]
["78566135","PN1P=P1"]
["60834210","OB(O)S"]
["78092598","[152Fe]"]
["97636368","[SiH3]C([SiH3])=PBr"]
["78301121","[C]#I"]
["56730587","Pn1[nH][nH]1"]
["167447554","[C]#I.[W+]"]
["170983464","[Li+].[NH-]C#[Si]"]
["168481715","[C]#[Ge]F"]
["167449165","[C]#I.[Mo+]"]
["91239051","PC=[PH2+]"]
["175671344","[88Se]"]
["79318733","[O][PH](=O)F"]
["101519094","O[PH](O)=P"]
["79569015","O=[PH]([O-])[O-].O=[PH]([O-])[O-].[Si+4]"]
["78342844","N=[PH](Cl)Cl"]
["79266142","N=[PH](N)N"]
["135566209","C[As]1(C)O[SH+]1"]
["79135995","O=[PH]([O-])[O-].[Al+2].[CH3]"]
["78405020","O=[PH]([O-])[O-].[Cs+].[Cs+]"]
["57615254","O=[PH]([O-])[O-].[Zn]"]
["148766741","O=[PH]([O-])[O-].O=[PH]([O-])[O-].[Tb+4]"]
["79274602","O=[PH]([O-])[O-].[Pb+2]"]
["82268291","[192W]"]
["1103416","O=[AsH2]O"]
["91096478","[pH]1n2[pH]n12"]
["175672300","[190Pt]"]
["188006352","C=P[O]"]
["14504263","CS(C)(=O)(Br)Br"]
["172712607","O=[AsH2]O.[Na+]"]
["175671789","[136Te]"]
["79118508","ON[I]O"]
["78386949","[As+4].[O-][Si]([O-])([O-])[O-]"]
["185994814","[2H][I]C"]
["175917954","F.O=[AsH2]O"]
["175672580","[245Cf]"]
["79232425","S[SiH2]I"]
["91114812","O[Si]=S"]
["56377276","N12N3N4N1N1N2N3N41"]
["97560283","[C]#CC#[Se+]"]
["49212347","[1H][C](C)C"]
["91107958","N12N3N4N1N1N2N2N3N4N12"]
["79163010","S[SiH2]Cl"]
["78621856","N[SiH2]S"]
["52760947","C[B-]CC[B-]C"]
["49551206","C1CN2CCN12"]
["79277731","S[SiH2]S"]
["50897786","[CH2-]"]
["69897541","C[NH+]=P"]
["47419696","[Ca+2].[N-]=[N+](O)O"]
["167188857","[Au+3].[CH2-].[NH2-]"]
["79527034","[N-]=[N+]([O-])[O-]"]
["167188856","[Au+].[CH2-].[Cl-]"]
["185336434","[N-]=[N+]([NH-])[NH-]"]
["50942928","P=[NH+]P"]
["79427665","[N-]=[N+]([O])[O]"]
["26573466","C[N+](C)=[N-]"]
["48173195","[2H][C-][2H].[Na+]"]
["91462069","S[S+]S"]
["27304740","[121Sn]"]
["79479514","[Na+].[Na+].[O-]S([O-])(=S)=S"]
["56660520","C=[NH2+]"]
["176441733","[O-]S([O-])(O)O.[Zn+2]"]
["78103402","[O-]S([O-])(=S)=S.[Zn+2]"]
["79579608","[Cu+].[Cu+].[O-]S([O-])(=S)=S"]
["96784810","C[C@H]1[C@H](C)[C@H]1C"]
["194407568","CC1C(C)C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C(C)C1C"]
["175671015","[39Ca+2]"]
["65684877","[121Sn].[H].[H]"]
["79294133","[Au+].[Au+].[O-]S([O-])(=S)=S"]
["147769555","[Ba+2].[O-]S([O-])(O)O"]
["33810559","[Re+3]"]
["62097813","O[AsH]Cl"]
["79840629","[N-3].[V+3]"]
["78099136","PP(S)S"]
["177583756","O=[As]([O-])([O-])[O-].[Re+3]"]
["177583826","O=P([O-])([O-])[O-].[Re+3]"]
["34709587","O=P([O-])([O-])[O-].[V+3]"]
["47856226","[3H]C([3H])=[N-]"]
["78137187","[OH2+][SiH3].[SiH3]Cl"]
["79660216","[O-]B([O-])[O-].[V+3]"]
["79757770","[H+].[V+3]"]
["168437731","[CH2+]C([Si+])[Si-]"]
["175671046","[44V]"]
["175375859","O=CI.[Pd]"]
["78274030","O=CI.[Na+]"]
["164492278","B[PH2+]B"]
["192745553","Cl[As-](Cl)(Cl)(Cl)(Cl)Cl.[Li+]"]
["194172827","F[As-](F)(F)(F)(F)F.[I-]"]
["191488499","F[As-](F)(F)(F)(F)F.O=[N+]=O"]
["96618288","Cl[As-](Cl)(Cl)(Cl)([Cl+])[Cl+]"]
["23675446","F[As-](F)(F)(F)(F)F.[Rb+]"]
["168753439","F[As-](F)(F)(F)(F)F.O.[Na+]"]
["170466933","F[As-](F)(F)(F)(F)F.I[Te+](I)I"]
["194397565","C.O=CI"]
["78315184","[13Cr]"]
["58878509","C#P(C)C"]
["43912004","II(I)(I)(I)I(I)(I)(I)I"]
["27098515","C1#CC1"]
["24869878","CC([NH])=N"]
["52388480","O=I(=O)I(I)(I)(I)I"]
["100192583","[NH]C([NH])=N"]
["26662610","[NH]C(=N)[S]"]
["83219015","[28Mg+2].[H].[H]"]
["79155433","[S]C=S"]
["26358410","[NH]C(=N)[O]"]
["168497018","[CH+]C[CH2]"]
["162309685","Cl.Cl.[Ba]"]
["56109871","Cl.[Al+3].[Ce+3]"]
["79937289","Cl.[Al].[CH3]"]
["79771804","Cl.[Zn].[Zn]"]
["78994018","Cl.[K+].[Pb]"]
["78989462","Cl.O.[In]"]
["23323333","Cl.[Rh+3]"]
["79178540","Cl.[Al].[Ti]"]
["175688780","Cl.[Li+].[Ni]"]
["185390029","[Ba].[Pb].[Sr]"]
["176258723","O.[Ba].[Y]"]
["174547178","Cl.Cl.[Kr]"]
["175671893","[146Tm]"]
["100556183","[CH2+][SH]=[P-]"]
["97459305","N1=C2[Si]=[Si]12"]
["78285582","o1[se][te]1"]
["67283003","[te]1[te][te][te][te]1"]
["91562362","[Se]1[Te][Se][Te][Se][Te][Se][Te]1"]
["50939949","[Te]1[Te][Te][Te]1"]
["175671521","[110Nb]"]
["171895116","[B+]=[P-](=[B+])([NH-])F"]
["183049124","[B]=C(F)F"]
["91353631","C1#C[Te]C#C[Te]C#C[Te]C#C[Te]C#C[Te]C#C[Te]C#C[Te]C#C[Te]1"]
["26633461","ClBCl"]
["175671799","[137Nd]"]
["25090360","[SiH3]S"]
["79880489","[281Pb]"]
["175220321","[SiH3]S.[Ti]"]
["68355346","[B]CC[B]"]
["193535440","O=[Si]=O.[SiH3]S"]
["184823306","[2H][I-]I(I)I"]
["101726705","[pH]1[pH]s1"]
["175498670","C1CC1.[SiH3]S"]
["190985266","C.[SiH3]S.[SiH3]S"]
["194419716","[B]CC[B].[V]"]
["174759104","[Cu].[SiH3]S"]
["175672464","[220Bi]"]
["32438000","[238Pu+4]"]
["174317046","C[S+]=O.O"]
["174814835","[B][TeH].[H-].[Li+]"]
["68057349","N[S+]=O"]
["33627925","O=[76As]O[76As]=O"]
["174284639","C[S+]=O.[H+]"]
["149947442","[B][BH-]([B])[B]"]
["174618221","C[S+]=O.[B]"]
["149605366","I[BH-](I)I"]
["1102470","[N-]N"]
["79734562","C[BH-](C)C.[Li+]"]
["175672153","[170Ta]"]
["100854985","c1c[pH+]cc[pH+]1"]
["170557988","[P-]=PP=[P-]"]
["78196112","C[SiH](C)[O-].[PH4+]"]
["192503714","CP(C)(C)=O.CP(C)(C)=O.CP(C)(C)=O"]
["173807867","F.[TeH3+]"]
["179629381","C[SiH](C)[O-]"]
["5342495","CP(C)(C)=O"]
["175671696","[127Ce]"]
["64869277","C1=C[SiH]=[SiH]1"]
["1100775","[TeH3+]"]
["193536220","CP(C)(C)=O.CP(C)(C)=O"]
["79063188","[1Ar]"]
["167014074","Cl.ClB(Cl)Cl"]
["79555089","ClB(Cl)Cl.[I-].[Na+]"]
["191381195","ClB(Cl)Cl.[Sb+5]"]
["78197156","ClB(Cl)Cl.[O]"]
["78349758","ClB(Cl)Cl.[Cl-]"]
["78976528","ClB(Cl)Cl.[N]"]
["161665571","C1=C[Ge]=C1"]
["23458081","ClB(Cl)Cl"]
["78256522","ClB(Cl)Cl.[Ni]"]
["78121319","ClB(Cl)Cl.[B]"]
["97607664","C=C([SiH3])C(=C)[SiH3]"]
["61460385","[In+].[SeH-]"]
["79412825","[K+].[SeH-]"]
["192055399","[Li+].[SeH-]"]
["78134828","[O].[Re+].[SH-]"]
["56518123","[Bi+].[SeH-]"]
["52630760","[Cl-].[Re+]"]
["79334319","[SeH-].[Ti+]"]
["78221351","[O-2].[Re+].[Re+]"]
["52800790","[In+].[TeH-]"]
["172820617","[Al+3].[Se-2].[SeH-]"]
["102900806","[HH].[In+]"]
["79091466","[Cu+].[SeH-]"]
["63880956","[132La]"]
["176333497","S[SeH]=[Se]"]
["170629258","[O][SeH]=O"]
["79121904","O[SeH]=[Se]"]
["78650107","S=[SH](=S)I"]
["78497016","O=[SH](=O)I"]
["161345703","B#[SH](I)I"]
["185618238","[SeH][SeH]=[SeH][SeH]"]
["81923305","S=S1C#C1"]
["176203324","C[SeH]=[Se]"]
["78695372","P#[SH](I)I"]
["78592630","B[SH](#P)I"]
["78201318","[3S]"]
["157397631","CC(C)=C(C)C.[Hf]"]
["194372195","CC(C)=C(C)C.[V]"]
["166902297","N=C(S)S.[Pb]"]
["78168516","N=C(S)S.[Cr]"]
["190304114","N=C(S)S.[Ce]"]
["173459235","N=C(S)S.[K+].[K+]"]
["194398359","C.CC(C)=C(C)C.CC(C)=C(C)C"]
["190449005","C.CC(C)=C(C)C"]
["78308266","Cl.N=C(S)S"]
["173121891","N=C(S)S.N=C(S)S.[Te]"]
["78530920","N[N+](=S)[S-]"]
["34718003","[132Cs]"]
["1102300","[Cs].[H]"]
["79245946","S.[Cs]"]
["79102874","[Cs].[F]"]
["172636773","C1PPS1"]
["175999405","[Cs].[Pb].[Sn]"]
["110894276","Br[C]1C[SiH2]1"]
["116304968","[Cs].[Li+].[Sr]"]
["79039033","Br.Cl.[Cs]"]
["187397575","COC.[Cs]"]
["91011801","[Cs].[Hg].[Hg]"]
["78286653","N#CO.[Cs]"]
["175672170","[172W]"]
["45132180","[SiH3]S[SiH2]S[SiH3]"]
["172241579","N=C([Te])[Te]"]
["79524976","[120Co]"]
["172241550","[Te]C([Te])=[Te]"]
["172241561","O=C([Te])[Te]"]
["175672202","[175Pt]"]
["83950783","C1P2P3CC123"]
["1100393","O=[TeH](=O)O"]
["79726020","[3H]BP"]
["198801258","Cl[68Ge](Cl)(Cl)Cl"]
["78564274","[3H][N][3H]"]
["161744945","[2H-].[NH4+]"]
["193912936","[Fe+2].[NH4+].[V]"]
["191823502","[Co+2].[NH4+].[NH4+]"]
["190961781","[NH4+].[Zn+2].[Zn+2]"]
["44361200","[Fe+2].[Fe+2].[NH4+]"]
["45549339","C.[NH4+]"]
["55292441","[Ce+3].[NH4+]"]
["193350484","[Mo+4].[NH4+].[NH4+]"]
["32042105","[NH4+].[O].[V]"]
["191471294","[Ba+2].[NH4+].[NH4+]"]
["194403032","[NH4+].[Ti+4]"]
["193842727","[NH4+].[Na+].[V]"]
["78694929","[Be].[Bi]"]
["172761056","[Bi].[Li+].[V]"]
["47140193","[Be].[S]"]
["79782999","[Be].[Sr]"]
["78960373","[Bi].[O].[Zn]"]
["175671158","[63Se]"]
["148696863","S.[Bi].[Na+]"]
["91474020","[Bi].[K+].[Pb]"]
["58990198","[Al].[Bi]"]
["53588648","[Be].[Cr].[Ni]"]
["172495238","[Be].[NH]"]
["101699040","[Be].[Be].[CH2]"]
["42931987","[C-].[V+]"]
["79051371","[NH2-].[V+]"]
["175662336","[CH2].[F-].[V+]"]
["194430372","[CH2].[Cl-].[V+]"]
["79538439","[C-].[C-].[S+2]"]
["165232801","[O-2].[V+].[V+]"]
["51930452","[OH-].[O].[V+]"]
["79481090","[Cl-].[O].[V+]"]
["79396830","[F-].[V+]"]
["1099431","[O].[O].[V+]"]
["79544444","[Cl-].[V+]"]
["163563374","[74Se]"]
["175670914","[22F]"]
["163446645","O=[14C]([O-])[O-].[Ca+2]"]
["156245724","O[SiH](O)[SiH](O)O"]
["32810471","Br[14CH2]C[14CH2]Br"]
["25503483","O=[14C](O)O"]
["99224813","O=[Te](O)(O)=[Se]"]
["55359817","ONF"]
["163970418","C[14C](=O)[O-].[Na+]"]
["116260187","C[14C](=O)Cl"]
["185367727","C[14C](=O)[O-]"]
["67837898","Cl.ONF"]
["32573407","O=[14C]([O-])[O-].[Ba+2]"]
["79932353","[265Pb]"]
["190878750","[Li-].[Te]=[TeH+]"]
["167455450","[Se]=[Te]=[Se]"]
["175671969","[154Nd]"]
["68387631","[236Pu]"]
["79884442","F[GeH2][Ge](F)(F)F"]
["62445297","BrC1=C(Br)C1"]
["27305603","[89Sr+2]"]
["101726653","O=S(O)O.[Cr+2]"]
["192539882","O=S(O)O.[Au+]"]
["177583519","O=S(O)O.[Y]"]
["79963234","O=S(O)O.[Mo]"]
["101726668","O=S(O)O.[Sc]"]
["174378977","O=S(O)O.[F-]"]
["177583876","O=S(O)O.[Hf]"]
["78093387","O=S(O)O.[H-]"]
["172735694","O=S(O)O.O=S(O)O.S"]
["190922493","Cl.O=S(O)O.O=S(O)O"]
["161925281","O=S(O)O.[Cl-]"]
["48880208","[Au+].[In+3]"]
["175821118","[Al+3].[In+3].[Zn]"]
["60448213","[Ge].[In+3]"]
["45407557","[In+3].[Zn+2]"]
["61561400","[Au+].[CH3-].[Na+]"]
["52578452","[Au+].[SH-]"]
["57296140","[Ag+].[Au+].[Cd+2]"]
["194058255","[Hf+4].[In+3].[O-2]"]
["194197169","[In+3].[Mo+4].[O-2]"]
["194007083","[Co+2].[In+3].[O-2]"]
["163701046","[As-3].[In+3].[SeH2]"]
["60274688","[Au+].[Cd+2]"]
["23556691","[Co+4].[SiH2-2].[SiH2-2]"]
["67283921","[Eu+2].[Tb+3]"]
["64140778","[Al+3].[Eu+2]"]
["101303546","[Eu+2].[H].[H]"]
["64844408","[Eu+2].[Gd+3]"]
["51701798","[Eu+2].[Nd+3]"]
["59922013","[Eu+2].[Y+3]"]
["103041823","[Eu+2].[HH].[HH]"]
["52551808","[Eu+2].[Li+]"]
["78952092","[Co+4].[O-2].[O-2]"]
["24167038","[Eu+2].[F-].[F-]"]
["44333336","[Ba+2].[Eu+2]"]
["79893334","[43S]"]
["78276392","[2H][C].[CH]"]
["32798791","[102Pd]"]
["51217077","C1=[Ge]C1"]
["48514832","CC1(C)C#CC1(C)C"]
["91354301","CC1=[Si]=C1C"]
["172224155","[3H][P-]S[B+]"]
["159415440","[SiH3][SiH2]N[SiH2][SiH3]"]
["79021107","N#C[PH3]"]
["175821295","I[B]OI"]
["69630006","CN(C)[PH-]"]
["161704208","[2H][C]"]
["78160285","[1He]"]
["175671722","[130Cd]"]
["78058291","[CH-]=[P+]=C"]
["81883526","[81SH2]"]
["64136253","[Se]=[Se]1[Se][Se]1"]
["52169870","[236U]"]
["175234505","Cl.PCP"]
["160940071","I[Se]I.[Cu]"]
["78312673","I[Se]I.[Ag].[Hg]"]
["97668227","[SiH2]1C2[SiH2]C1[SiH2]2"]
["161692823","PCP.[Pt]"]
["78154133","[N]1NN1"]
["43239708","[206Pb]"]
["193505789","I[Se]I.[Sb]"]
["175234514","Cl.Cl.PCP"]
["63540277","I[Se]I"]
["83226442","[206Pb].[H].[H]"]
["185312760","BrI(Br)(Br)(Br)Br"]
["96873417","ClC1(Cl)[C@](Cl)(Br)[C@@]1(Cl)Br"]
["58321076","[2H]C([2H])(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])Br"]
["181447820","CI(O)(F)(Cl)Br"]
["185176314","N#CI(F)(Cl)(Br)[N+](=O)[O-]"]
["170596217","BrBr.BrBr.ClC12C3=C4C5(Cl)C6=C7C8(Cl)C9=C%10C(Cl)(C%11=C1C1(Cl)C%12=C%13C%14(Cl)C%15=C%16C%17(Cl)C%18=C(C%10(Cl)C%10=C%19C%18(Cl)C%18=C%20C%19(Cl)C%19=C(C9%10Cl)C7(Cl)C7=C9C6(Cl)C6=C%10C9(Cl)C9=C(C%197Cl)C%20(Cl)C7=C(C%15(Cl)C%15=C(C%10(Cl)C(=C(C3%12Cl)C46Cl)C%13%15Cl)C97Cl)C%16%18Cl)C%11(Cl)C%17=C1%14)C2=C58"]
["46541504","C/C=C(\\Cl)Br"]
["60505178","ClC1CC1(Cl)Br"]
["64890388","BrC1(Br)CC1.ClC1(Cl)CC1"]
["13986960","ClC1=C(Cl)C1(Cl)Cl"]
["79451713","[160Yb]"]
["44855418","C/C=C(/Cl)Br"]
["54876327","[SiH3][Te][SiH3]"]
["78680230","OOS[SiH3]"]
["175671118","[57Cr]"]
["97489078","NC(=O)c1ccc(C(O)=[Se])cc1"]
["78715819","OOC[SiH3]"]
["174416638","CN(C)C.OO[SiH3]"]
["78116606","OOO[SiH3]"]
["185515682","O=S(=O)([SiH3])OO"]
["174587745","CN(C)[Te][SiH3]"]
["174980579","OO[Si](O)(O)O.O[SiH3]"]
["66031274","NO.OOI"]
["172630796","CC(C)POO"]
["49515848","[250Cm]"]
["63828858","[Si-]#[S+]"]
["161898538","[Li+].[Si-]#[S+].[Sr]"]
["91116076","B1=[Si]2B=[Si]12"]
["195413455","[Si-]#[S+].[SiH4]"]
["176373492","[Na+].[Si-]#[S+]"]
["173211103","[H-].[Li+].[Si-]#[S+]"]
["175988357","[Si-]#[S+].[Sn]"]
["79427599","[Al].[Na+].[Si-]#[S+]"]
["98295006","B[N+](C)C"]
["158829211","[Cd].[Si-]#[S+].[Zn]"]
["79890383","Br.[Si-]#[S+]"]
["101726731","[OH-].[Th+4]"]
["159760419","[Cr+3].[O-2].[Th+4]"]
["170839706","O.[Cr].[OH-]"]
["79515559","[OH-].[Ti+]"]
["54927304","[NH2-].[Na+].[OH-]"]
["79638410","[Al+3].[OH-].[S-2]"]
["192185454","[CH3-].[OH-].[Zn+2]"]
["50705455","[O-2].[OH-].[Ti]"]
["175759870","[Mn+2].[O-2].[OH-]"]
["79438600","[Co].[K+].[OH-]"]
["34289935","[OH-].[OH-].[Pt+2]"]
["101724943","[Cu+2].[NH2-].[OH-]"]
["175671558","[114Pd]"]
["49385740","[Mg+2].[O-][Te]([O-])=S"]
["157409037","O[As](O)O.[Sb]"]
["172690495","Br.O[As](O)O"]
["192129877","O.O[As](O)O"]
["79329636","[NH-][O+]=[SiH2]"]
["191536655","O[As](O)O.[Zn]"]
["192129876","O[As](O)O.[OH-]"]
["79202630","[B]NB(O)O"]
["78104393","O[As](O)O.[As]"]
["79106157","CC(C)(C)[PH]"]
["161715115","O[As](O)O.[Fe]"]
["175672115","[167Eu]"]
["154640087","S=P1=C=P1"]
["79838337","S=[PH]1S[PH](=S)S1"]
["64451637","[se]1[se][se][se][se]1"]
["78266253","S=[PH]1SS1"]
["49567244","O=[Se](=O)O"]
["170601190","[se]1[se][se][se][se][se][se][se][se]1"]
["58500091","[se]1[se][se][se][se][se][se]1"]
["162003439","P=P1=C=P1"]
["66819666","CN(C)[Te]"]
["166605137","O[Cl+]O"]
["33834469","[198Hg]"]
["79584044","[104Fe]"]
["14598228","OS(O)(O)(O)(O)O"]
["26354379","COP(OC)(OC)(OC)OC"]
["55064757","OS1(O)#SO1"]
["175672338","[197Os]"]
["63884516","OS(F)(F)(F)(F)F"]
["78109296","OS1(O)OO1"]
["175672100","[165Hf]"]
["96715907","[2H][Si](C)(C)[Si]([2H])(C)C"]
["34340677","[170Tm+3]"]
["172831114","[Cr+3].[Cr+4]"]
["23335163","[Cr+3].[N-3]"]
["172847313","S.[Cr+3].[O-2]"]
["193207530","[Ag+].[Cr+3]"]
["101724618","[Cr+3].[Fe].[Ni]"]
["44397579","[Cr+3].[F-].[O-2]"]
["101724667","[Cr+3].[S].[Zr]"]
["58945263","[Cr+3].[Cu+]"]
["653813","[Cr+3]"]
["101724661","[Cr+3].[O].[V]"]
["44720917","[Cr+3].[F-]"]
["79714230","O=[As]([O-])([O-])[O-].[Cr+3]"]
["79595787","[Ta+4].[Te-2].[Te-2]"]
["23232276","[Mn+2].[Te-2]"]
["79758788","[K+].[K+].[Te-2]"]
["32335682","[O-2].[O-2].[Ta+4]"]
["23109165","[Cd+2].[Te-2]"]
["22676605","[Hf+4].[Te-2].[Te-2]"]
["24741147","[Pb+4].[Te-2]"]
["34495923","[Se-2].[Se-2].[Ta+4]"]
["23460832","[Te-2].[Zn+2]"]
["32345868","[S-2].[S-2].[Ta+4]"]
["79593847","[Te-2].[Te-2].[Ti+4]"]
["79936869","[Cd].[Mn+2].[Te-2]"]
["175672488","[225Fr]"]
["97594327","[CH2][SiH2][SiH3]"]
["180335188","C[SiH]C.C[SiH]C.[Y]"]
["57963319","C[SiH]=[SiH]C"]
["189892882","[CH-]=NO.[V]"]
["79033787","O=NO.O=NO"]
["180345455","C[SiH]O.[Y]"]
["78072382","F[B-](F)(F)[FH+]"]
["174874030","C[SiH]C.Cl.[Hf]"]
["56496161","N=[Si]=NO"]
["164454576","INNNI"]
["171907314","[B+]=[B-](N)S"]
["53851831","[Ba+2].[Ga+3]"]
["65982776","[49Ca+2]"]
["101723880","[Ba+2].[O].[Zn]"]
["101725152","[Ga+3].[O].[Sr]"]
["55250116","[Al+3].[Ga+3]"]
["158132101","[Ba+2].[Fe+3].[Fe+3]"]
["48506029","[Ba+2].[NH2-].[NH2-]"]
["192353584","[Ar].[Ba+2].[O-2]"]
["193631587","[Ba+2].[O-2].[Sc+3]"]
["56552995","[Ba+2].[Cd+2]"]
["175949693","[Ga+3].[S-2].[Zn+2]"]
["67206790","[Ga+3].[Ta+2]"]
["55701819","[200Bi]"]
["66244013","C[I-]N"]
["25967602","[CH]1C=C1"]
["79198744","Cl[GeH2][GeH2]Cl"]
["175527509","BrN(Br)N(Br)Br"]
["175797253","O=[Ge]=[Te]"]
["171900363","N=S=S.[W]"]
["97323214","S[Ge](S)(S)S[Ge](S)(S)S"]
["57963245","N=S=S"]
["63293887","[171Tm]"]
["175672446","[215Tl]"]
["97130808","C1C[P+]1"]
["57897211","ClP=S(Cl)Cl"]
["184003272","C#C[SH2+]"]
["78773492","N1P=P1"]
["101304036","Cl[PH2](Cl)Cl"]
["168489996","[2H]C([2H])([2H])[Si]"]
["171919333","[3H]S[S](=S)=S"]
["97721743","[C]=[GeH2]"]
["175779037","O=[AsH]=[AsH]"]
["175779036","O=[AsH]=[AsH].[Ru]"]
["43899477","[3H]SNBr"]
["59799352","[Bi+].[TeH-]"]
["79190563","[Bi+].[F-].[O]"]
["174583431","CN.Cl.NS(=O)(=O)O"]
["24292398","[13CH3]N"]
["56444222","[13CH3][15NH2]"]
["161703961","[Bi+].[F-]"]
["49137920","[Bi+].[Cl-].[H]"]
["175671774","[135In]"]
["48061987","[3H]P([3H])([3H])([3H])[3H]"]
["42534844","[Bi+].[NH2-]"]
["58248024","[Bi+].[O]"]
["154698955","CN.[Zn]"]
["175671578","[116Rh]"]
["43857741","NPCl"]
["83056793","[si]1[si]#[si][pH][si]#1"]
["79153412","N[Si]1(N)O[Si](N)(N)O1"]
["96938947","C12[B-]34C5[B-]13[B-]254"]
["175671850","[142Gd]"]
["33315704","[si]1[si]#[si][si]#[si][si]#1"]
["174513496","C.[9CH4]"]
["174884283","O.[9CH4]"]
["194400475","[9CH4]"]
["33561557","[136Eu+3]"]
["48363520","C1C[I+]1"]
["78975159","C[N+](C)(C)Br"]
["198621377","[2H]/C(I)=C(/[2H])I"]
["97747514","[2H]C([2H])=[Se]"]
["176693210","IB=BI"]
["175317998","O=[SiH][SiH2]"]
["1100829","S=[C]S"]
["175317997","O=[SiH][SiH2].[Mo]"]
["68647995","[B]NF"]
["79583449","Br[N+](Br)(Br)Br.[Br-]"]
["68884115","[2H]C(=O)C([2H])=O"]
["91006296","[Au].[Au].[Lu]"]
["145343987","[Au].[CH3-]"]
["91011583","[Au].[Ce]"]
["172850322","[Lu].[Ti]"]
["176105209","[Al].[Gd].[Lu]"]
["175807491","O.[Au].[Pd]"]
["174891728","[Au].[Fe].[SiH3]"]
["1099338","[SeH+]"]
["79078317","S.[Au].[In]"]
["174257523","O.[Au].[Fe]"]
["158438622","C.[Au].[Ni]"]
["32219181","[Au].[K+].[Pd]"]
["52777906","[Cr+2].[Ho+3].[Tm+3]"]
["47402382","[Cr+2].[Cr+2]"]
["56300845","[Cr+2].[Ni+2].[V+2]"]
["34000628","[Tm+3]"]
["271615","[Ni+2]"]
["62392470","[Cr+2].[Mn+2].[Ni+2]"]
["45012970","[Cr+2].[Ni+2]"]
["45406227","[Ho+3].[Tm+3]"]
["59736570","[Ag+].[Cr+2].[Ni+2]"]
["50751709","[Cr+2].[Mn+2]"]
["46104160","CC(CCl)(CCl)C(C)(CCl)CCl"]
["175672355","[200Os]"]
["78242414","[132Ar]"]
["100853588","B1C2=C3BC4=C1BC1=C(B4)BC4=C(BC(=C(B3)B4)B2)B1"]
["45896039","P=S=S=S"]
["65580659","S=S=S=S=S=S"]
["43638787","S=S=S=S.[W]"]
["64270755","S=S=S.[Fe].[Fe]"]
["193981129","S.S=S=S"]
["57069499","[Na+].[P-]=S=S"]
["52339173","P=S=S"]
["147739480","C1C2CP12"]
["42318643","[P-]=S=S"]
["78739840","C.S=S=S"]
["76461561","[51Cr+3]"]
["100935713","[O-]P(F)(F)(F)F"]
["68073230","[2H]P[F+].[K+]"]
["103005569","[CH2][IH+].[HH].[Pd]"]
["51997897","[Ag+].[Ag+].[C-]#CC#[C-]"]
["79626005","[CH2+]C[P-].[Pd]"]
["99399963","[CH+]CC[P-].[Sb]"]
["191014714","[CH2+][BH2-]I"]
["62636777","[C-]#CC#[C-].[Na+].[Na+]"]
["48405940","[B+]C[P-]"]
["178134838","[CH2+][BH2-]C"]
["99225622","CC[P-]"]
["26897656","[SiH]"]
["52281196","[SiH].[SiH].[W]"]
["64621542","[Mo].[SiH].[SiH]"]
["187045058","[3H][Si]"]
["150102095","NC(=[15NH])[15NH2]"]
["57276428","FP(F)(F)(Br)Br"]
["79305183","[SiH].[Si]"]
["26156837","C1=CC=1"]
["78461166","BB=N"]
["68209319","N=[11C](N)N"]
["79317942","[SiH3]O[SiH3].[SiH]"]
["49914949","C[Te]"]
["79071142","[CH+]=[GeH3-]"]
["60942870","[36Ar]"]
["66393509","[218Rn]"]
["168334398","[CH+]C"]
["175672047","[161Sm]"]
["101304275","[CH+]=[CH+]"]
["163563381","[156Dy]"]
["175671449","[101In]"]
["78158177","[45Si]"]
["175671117","[57V]"]
["179519131","[CH+]C1(C[CH-])CC1.[CH3-].[Ce]"]
["175671312","[84Br]"]
["185874397","[Tc+6]"]
["163914696","Br[B-](I)(I)I.[Li+]"]
["190556367","CNNC.N"]
["161684197","C1=[Si-]C1.[Li+]"]
["79204577","Br[B-](Br)(Br)Br.[Na+]"]
["99905452","B#SC"]
["90945627","[Si+]1C2[Si-]=[Si]12"]
["174913084","CNNC.[SiH4]"]
["167227282","C[B-](C)(Br)Br"]
["59445190","CNNC.[Cl-]"]
["172112757","Cl[B-](Cl)(Cl)Br"]
["173322864","CNNC.[H-].[Na+]"]
["27307172","[69Zn]"]
["79095176","O=P([O-])([O-])P(=O)([O-])[O-].[Sr+2].[Sr+2]"]
["79094884","O=P([O-])([O-])P(=O)([O-])[O-].[Mg+2].[Mg+2]"]
["79058953","O=P([O-])([O-])P(=O)([O-])[O-].[Zn+2].[Zn+2]"]
["79231819","N1=[N+]S1"]
["79423762","O=P([O-])([O-])P(=O)([O-])[O-].[Ni+2].[Ni+2]"]
["79112196","O=P([O-])([O-])P(=O)([O-])[O-].[Zr+4]"]
["51775240","O=P([O-])([O-])P(=O)([O-])[O-]"]
["79481548","O=P([O-])([O-])P(=O)([O-])[O-].[Ce+4]"]
["42868002","[Si]C(Cl)Cl"]
["78610026","O=P([O-])([O-])P(=O)([O-])[O-].[Ca+2].[Ca+2]"]
["26284665","CC[SiH2]"]
["100647694","[25CH4]"]
["78119522","C=C(Cl)Cl.[SiH4]"]
["78180481","OCl.S"]
["79723875","C[C](Cl)Cl.[Al]"]
["78925121","OCl.[SiH4]"]
["78126939","OCl.[Th]"]
["78485741","O[C@H]1C[C@@H](O)C1"]
["79809406","OCl.[Al].[Mg+2]"]
["78395685","ClBr.[Tl]"]
["79881667","OCl.[Al].[Fe]"]
["175489816","ClBr.ClC(Cl)Cl"]
["23175962","OCl.[W]"]
["78484087","[2H]B(B)S"]
["78342879","[3H]B(B)BB"]
["149569773","BBc1ccc(C(C)(C)C)c(BS)c1BB"]
["55988401","[135IH]"]
["172113986","[2H]B(I)OF"]
["78399738","[2H]N=BS"]
["79685858","[2H]P(P)P([2H])PB"]
["172126595","[2H]B(C)OPC"]
["56050145","[2H]B(I)C(C)C"]
["156367207","CBBBS"]
["78372024","[2H]BC"]
["188267730","BBN=CO"]
["100808946","[119SiH4]"]
["79873238","[123V]"]
["172848130","C=[AsH-](=O)O.[Na+]"]
["79952661","[119Si]"]
["165053232","[SeH]C([SeH])C([SeH])[SeH]"]
["101722912","B1=[SiH][B+][SiH2]1"]
["173948109","CC(N)(N)N.[GeH4]"]
["62006669","C[AsH](C)C"]
["100239535","O1C2O[Si]12"]
["172067166","[3H][I-]PP[I-][3H]"]
["175671653","[123Pd]"]
["26793656","CC(N)(N)N"]
["175671325","[85Mo]"]
["97509374","C[Se+]=O.[Na-]"]
["102995811","C[Se+]=O"]
["46590811","[CH-]1OOO1.[Na+].[Na+]"]
["175671316","[84Mo]"]
["79346567","C[PH3]F"]
["58941576","[CH-]1OOO1.[Cs+].[Cs+]"]
["97607970","C[Se+]=O.[Li-]"]
["96515555","[P]=CC=[P]"]
["54861466","[CH-]1OOO1.[CH-]1OOO1.[Ca+2]"]
["163455845","[3Co]"]
["68417180","[CH-]1OOO1.[K+].[K+]"]
["175671351","[89Mo]"]
["79127633","[O]Cl.[Si]"]
["97311527","[O]S[SiH3]"]
["79810367","[SiH2]I"]
["79773177","[O]Cl.[Ti]"]
["79012780","[C].[O]Cl"]
["78966213","[O]Cl.[Zr]"]
["78201925","[SiH3][SiH2]S[SiH3]"]
["1098998","[O]Cl"]
["79667090","[SiH3]SSSS[SiH3]"]
["27304571","[127Sn]"]
["69959889","O.[O]Cl"]
["79488718","[145Hg]"]
["175494537","P=[Se].[Fe]"]
["61065132","PNI"]
["164559457","[SeH]c1c([SeH])c([SeH])c([SeH])c([SeH])c1[SeH]"]
["176380876","P=[Se].[Li+]"]
["79616246","P=[Se].[Tl]"]
["99214530","O[Si+]O"]
["49457196","P=[Se]"]
["79129815","Cl.[145Hg]"]
["172792044","O=[SiH]O.[Mg+2]"]
["170567676","N#C[Te](C#N)(C#N)C#N"]
["159251020","P=[Se].[Sn]"]
["79194659","[111Pb]"]
["26443950","[O]CI"]
["78234976","[CH+]=[B-](Cl)Cl"]
["79729566","I.ICI"]
["190785348","ICI.[I-]"]
["61029283","[O-]CI"]
["61295239","ICI.ICI"]
["176188163","F.F.ICI"]
["185361347","[O+]POP[O+]"]
["50826193","[13CH3]CI"]
["24113341","I[13CH2]I"]
["47774174","ICI.[As]"]
["79185406","[179Pb]"]
["175727294","ClN(Cl)I"]
["161840077","C=[P+]=N"]
["42344892","[S-]P[S-]"]
["56195118","[CH+]N[CH-]"]
["101680710","O[PH+]([S-])S"]
["101628197","C[PH+]([S-])S"]
["179629441","C[PH+](C)S"]
["91650841","C12n3n1n32"]
["79134043","[CH2+]P[S-]"]
["194440139","[CH+]N[CH-].[V].[W]"]
["168441240","[Si]1[Si-]23=[Si+][Si-]12=[Si+]3"]
["175671920","[149Yb]"]
["78545728","[2H]BB[2H]"]
["79393720","[175Pb]"]
["57085930","P#[As]"]
["168624434","[B+]=[PH2-]=[B+]"]
["60192719","S=P([S-])([S-])[S-]"]
["34599075","O=[17O]"]
["176113602","S[SiH](S)S"]
["78588488","P#[As].[Ga]"]
["45617876","[As]1=[As][As]=[As]1"]
["50930163","C[As]1(C)=[As][As]=[As][As]1(C)(C)C"]
["97443618","[As]1=[As][As-][As]=[As]1"]
["161871613","C1C[As][As]=[As]C1"]
["161683174","C1CS[As]O1"]
["79378003","[136Si]"]
["178033033","[110V]"]
["79774383","[C]1=[As][As]=[As][AsH]1"]
["96830042","[As]1=[As][As]=[As][As]=[As][As]=[As]1"]
["173311981","CC1[As]=[As][As]=[As]1"]
["1077519","[Os+4]"]
["191711877","C1=[As][As]=[As][AsH]1"]
["175672494","[226Pa]"]
["173517061","OB([OH2+])[OH2+].[Na+].[Na+]"]
["174092913","C=[As]O"]
["175672584","[246Es]"]
["60535689","b1b[pH][nH]1"]
["78535762","[nH]1c2[nH]c1=2"]
["26757344","[2H][C]([2H])F"]
["96544786","[Se]1C23[Se]C24[Se+]C134"]
["91236473","[CH2+][N]"]
["64760185","[11NH]=C=O"]
["48775057","[NH3+]NC(N[NH3+])N[NH3+]"]
["175671491","[107Y]"]
["172712574","[AsH]=[As][AsH2]"]
["79585727","[149Cr]"]
["175042475","[AsH]=[As][AsH][AsH2]"]
["183384528","[N-]=[N+]=[As][AsH2]"]
["173433233","[P-][AsH2]"]
["180803816","O=[AsH]([O-])[As]=[AsH]"]
["79338025","C=[As][AsH2]"]
["79721360","C=C[As]=[AsH]"]
["185563671","[AsH]=[As]CC[As]=[AsH]"]
["172712689","[AsH]=[As][AsH][AsH][AsH][AsH2]"]
["61824927","[182Os]"]
["172320160","CC([O])=[As]N"]
["1097045","[210Po]"]
["22691744","[O-2].[O-2].[Se+4]"]
["23984078","O=[Te](=O)([O-])[O-].[Cs+].[Cs+]"]
["78287987","N#CO.[Tl]"]
["52689254","[CH3].[Po]"]
["150664773","[O].[Po].[Rh]"]
["162132279","[Ag].[Po].[Se]"]
["110906054","C.C.[Po]"]
["183960999","O=[S+](F)(F)F"]
["79958487","N#CO.[K+].[K+]"]
["57559907","O=[Te](=O)([O-])[O-].[Tl+].[Tl+]"]
["172188895","N#CO.[Y]"]
["79300732","[271Pb]"]
["96724259","C1C[S+]C1"]
["78379680","B[Si](B)(C)C"]
["200576443","[NH3+]N1CC1"]
["175671991","[156Nd]"]
["172899909","[2H]S(=P)I"]
["172477541","C/C(I)=C(\\C)I"]
["79810395","[B+]=O.[Zr-]"]
["79056792","[BH2+].[Zr-]"]
["69578068","P=[SH][PH-]"]
["79869642","[O+]P.[Zr-]"]
["175671230","[74Rb]"]
["1097319","[10C]"]
["174102731","[B]=[SiH-](F)[B+]F"]
["96780107","[PH]C[PH]"]
["174704223","ONCl.[Sm]"]
["62951391","N=[AsH2]Cl"]
["174693215","ONCl.[Dy]"]
["149784450","CO.ONCl"]
["174706002","ONCl.[Gd]"]
["175054178","ONCl.[Zn]"]
["57121237","Cl.ONCl"]
["174704221","ONCl.[Tb]"]
["174704212","ONCl.[Tm]"]
["78973581","[11Si]"]
["97067487","[SiH3][Si]1=[Si]([SiH3])[Si]12[Si]([SiH3])=[Si]2[SiH3]"]
["58024097","O=[S-](=O)Cl.[Re]"]
["183817317","O=[S-](=O)Cl.O=[S-](=O)Cl.[Ru+2]"]
["161605722","C[S-](N)N"]
["101303087","[O][S-](=O)=O"]
["91017230","C=[Si]N"]
["60989998","O=[S-](=O)Cl.[Ru+]"]
["91077278","N[P+]#P"]
["173493745","O=[S-](=O)Cl.[Rh]"]
["81892550","[B+]=PP=[CH-]"]
["79112321","O=[S-](=O)Cl.[Na+]"]
["32398963","[103Pd+2]"]
["79971589","F.[2H]F"]
["175671987","[155Ta]"]
["33025265","[2H]F.[2H]N([2H])[2H]"]
["57872577","FNN(NF)NF"]
["170617593","[2H]F.[2H]O[2H]"]
["45794579","C#[Si][O-]"]
["51085502","[146Ce]"]
["170683376","Cl[As+](Cl)(Cl)Cl"]
["194001581","P.[2H]F"]
["161290028","[2H][18F]"]
["79075874","B[GeH2][SiH3]"]
["79681550","[18Ar]"]
["173546874","CS(O)=[P-]"]
["193968335","[2H]ON.[2H]ON.[2H]ON"]
["173498853","CS(C)=[P-]"]
["52419827","[Co].[pH]1p2[pH]p12"]
["191375986","C.[B]NC"]
["78072432","COOC.Cl"]
["173523102","CS(F)=[P-]"]
["55006331","[pH]1p2[pH]p12"]
["173528638","[P-]=S(I)I"]
["173520466","FS(=[P-])I"]
["190443905","COOC.[Cl-]"]
["1097421","[SH3-]"]
["99345709","[B]C(F)(F)F.[K+]"]
["78125255","[125Si]"]
["91161663","CC=[OH+].O"]
["98221759","[O]C=[OH+]"]
["174540009","F.F.[B]C(F)(F)F"]
["78109155","[C+4].[O-]C[O-].[O-]C[O-]"]
["173755581","[B]C([B])([B])N"]
["79020317","Br.Br.[B]C(C)(C)C"]
["58073765","CC=[OH+]"]
["64514007","[B]C(C)(C)C([B])(C)C"]
["161880807","[Ca+2].[O-]C[O-]"]
["175671823","[140Sb]"]
["171985261","[3H][I-]OO"]
["82322701","[Si]1=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=1"]
["34299423","[Si]1=[Si]=[Si]=[Si]=[Si]=1"]
["145438946","[Si]1=[Si]=[Si]=1.[Ti]"]
["168454496","C=[Ge]F"]
["171439232","[2H][B]Cl.[U]"]
["91213398","F[Ge]#P"]
["56626408","[68Zn]"]
["175671946","[152Pr]"]
["83943622","F[Ge]=[Se]"]
["79269155","[142Xe]"]
["42414255","[202Hg]"]
["172064155","[2H]N([2H])[O+]"]
["175672083","[164Eu]"]
["55854238","[2H]NN"]
["42732429","[2H]NI"]
["175698661","[2H]NCl"]
["49569696","N=[P+]=S"]
["160764043","CC.C[SiH](C)[SiH3]"]
["100239384","C1PPPP1"]
["34074914","[2H]N([2H])N([2H])[2H]"]
["171951665","[2H]N[B]"]
["79214743","[2H]N([2H])N"]
["79681738","[140Pb]"]
["78370782","[Mg+2].[O-]O[O-]"]
["78261038","C[NH3+].C[NH3+].[O-2]"]
["46545945","[C]=N.[K+]"]
["175185254","C[NH3+].F"]
["64795325","C.[C]=N"]
["161677140","C[NH3+].C[NH3+].[S-2]"]
["68925573","[C]=N.[Cu]"]
["91225029","[Al+].[O-]OBr"]
["79641925","[O-]O[O-].[Sn+2]"]
["175025503","CO[O-].CO[O-].[Sr+2]"]
["79586872","[Ni+2].[O-]O[O-].[Zn]"]
["175314693","[55Cr]"]
["1097571","[192Po]"]
["174920877","O=[Ge]=[OH+]"]
["161920903","OB(O)Cl.[Zn]"]
["42924257","OB(O)Cl"]
["91224845","C[Se+](C)O"]
["178072854","CC=[17O]"]
["158495443","OB(O)Cl.[Ba]"]
["185488692","O1POS1"]
["65336998","FI(F)I"]
["53525513","B1=[B-]=C1.B1=[B-]=C1.[Be+2]"]
["186284420","[67Cu+2]"]
["187963255","[P+5]"]
["150736827","N#SOOS#N"]
["61158407","[B-]OC"]
["79320372","[Cm+3].[N-3]"]
["171179525","[B-]OC.[Li+]"]
["68386764","IB=S=BI"]
["79219524","C=[N+]O"]
["79017846","N=[N+]O"]
["165025065","C1=[Si]=[Si]=1"]
["60228541","O[N+]#[Si-]"]
["55714874","[B-]OO"]
["33540920","[Cm+3]"]
["175671810","[138Eu]"]
["79732105","O=[PH2][O-].[Li+]"]
["78289955","O=[PH2][O-].O=[PH2][O-].[Be+2]"]
["1106156","O=[PH2][O-]"]
["100853230","O=[PH2][O-].[Ag+]"]
["78265502","O=[PH2][O-].O=[PH2][O-].[Fe+2]"]
["168502935","C[B-](C)=[Si+]"]
["79146008","O=[PH2][O-].O=[PH2][O-].[Ni+2]"]
["91511004","[Si+][B-](=[Si+])[Si-]"]
["65692963","F[B-]([Si])=[Si+]"]
["58385332","O[B-](O)=[Si+]"]
["79731870","O=[PH2][O-].[Cs+]"]
["79514809","[124Co]"]
["63896683","[3H][B].[Fm]"]
["66678805","[CH3-].[Fm]"]
["79405030","O=[SiH][SiH]=O"]
["194398647","Cl[Ge](Cl)(Cl)Cl.[Cl-]"]
["174694509","Cl[Ge](Cl)(Cl)Cl.O.[GeH4]"]
["159846281","[Co+3].[Mn+2]"]
["190897195","ClOCl.[Co+3]"]
["173574535","O=N[O-].O=N[O-].[Co+3]"]
["193418067","CN.[Co+3]"]
["175672166","[171Pt]"]
["47190591","[Co+3].[NH4+]"]
["79920928","[135Ni]"]
["193464837","[B]NCl"]
["50081934","O=PBr"]
["58333838","CC(C)(C)[AsH]"]
["78153155","[BH+]F.[Li-]"]
["79174680","[OH2+]OCl"]
["161936506","F.F.O=PBr"]
["101708428","C=[SiH+]"]
["52342321","[c+]1c[c+]c1"]
["1097621","[W+5]"]
["101345796","I[AsH]I"]
["97534476","C1#C[SiH2][SiH2][SiH2]1"]
["101340071","[168Pd]"]
["59521753","[3H]I(Cl)(Cl)(Cl)Cl"]
["101277746","NC12C3(N)C1(N)C23N"]
["78485730","O=[SH](=O)F"]
["79656520","O=S(=O)(F)S(=O)(=O)F"]
["78995458","C=C=[SiH][SiH3]"]
["79591242","[O+][SiH4-]"]
["101723558","B#[AsH2]"]
["101032477","C[NH+]1[BH2-][NH+](C)[BH2-][NH+](C)[BH2-]1"]
["101032208","C#C[NH-]"]
["175672493","[226Fr]"]
["164661227","C[SH](F)F"]
["33162409","[53Cr+6]"]
["97148694","[C+]#[P-](F)(F)F"]
["172766261","[Cl-].[Cr+6].[O-2]"]
["200580796","[Cr+3].[Cr+6]"]
["1071602","[Cr+6]"]
["79701785","[156Au]"]
["185491522","[Cr+6].[Zn+2]"]
["190809907","[Cr+6].[Cu+2]"]
["185547893","[Cr+6].[Cr+6]"]
["176089298","F.O=[Ge]O.[Ba]"]
["101737736","C[IH]C"]
["193486855","[Cr+3].[Cr+3].[Cr+6]"]
["34568062","[227Th]"]
["46505053","I[I-](I)(I)I"]
["173087895","C.I[I-](I)(I)I"]
["67938138","[Li+].[N-]=S(=O)=O"]
["154297037","O[Cl+](O)(O)[O+4][Cl+](O)(O)O"]
["91001806","C1[As]=[As]1"]
["190799956","[B]F.[B]S"]
["43113840","[N-]=S(Cl)Cl"]
["173506713","CS(=[N-])F"]
["43027083","B1BC1"]
["192958686","[Cl-].[N-]=S(=O)=O"]
["172838781","[Mg+2].[N-]=S(=O)=O.[N-]=S(=O)=O"]
["193102001","[Er+3].[Eu+3]"]
["78484726","[Er+3].[N-3]"]
["652705","[Eu+3]"]
["160861177","[Co+2].[Eu+3].[O-2]"]
["64729020","[Eu+3].[F-]"]
["58094085","[Er+3].[Pr+3]"]
["185384612","[Eu+3].[Gd+3]"]
["60012504","[Ag+].[Er+3]"]
["65357835","O.[Cl-].[Er+3]"]
["175894276","[Er+3].[S-2].[S-2]"]
["638892","[Er+3]"]
["23419790","[Er+3].[F-].[O-2]"]
["83239925","[77GeH4]"]
["161719451","[Au+].[CH-]1CC1"]
["175672571","[243Bk]"]
["79644836","[C+]1P[CH-]P1"]
["175465472","[CH-]1CC1.[Fe]"]
["25246917","C#C[CH2]"]
["176005259","[18O]=[18O+][18O-]"]
["172044762","CC[AsH]"]
["60694023","[CH-]1CC1.[Li+]"]
["176687719","[CH-]1CC1.[CH-]1CC1.[Cu+2]"]
["60237875","[203Hg+].[CH3].[Cl-]"]
["46975492","[CH-]1CC1.[CH-]1CC1.[Mg+2]"]
["175672705","[274Bh]"]
["99259910","CSSC.[B]"]
["174505082","CSSC.[Cu]"]
["60997734","[13CH3]SS[13CH3]"]
["174713244","CSSC.[Fe]"]
["42137640","[In].[PH+]"]
["734803","CSSC"]
["174973438","CSSC.[SiH4]"]
["191409266","CC.CSSC"]
["191259545","CSSC.Cl"]
["174883905","CSSC.[HH]"]
["193495550","CSSC.S"]
["54369878","[Ce+3].[Y+3]"]
["58493682","[Al+3].[Y+3]"]
["52025413","[Ce+3].[Sr+2]"]
["191090219","[Ce+3].[Co+2].[O-2]"]
["172859123","S.[Ce+3].[O-2]"]
["50024682","[Ce+3].[F-].[Si+4]"]
["172781850","O.[Ce+3].[S-2]"]
["192461942","[Ce+3].[Ge].[O-2]"]
["101723020","[Al].[Ce+3].[Ce+3]"]
["193939774","[Ce+3].[O-2].[Si+4]"]
["101724496","[Ce+3].[Cr].[O]"]
["161288615","[Ce+3].[F-].[S-2]"]
["175672541","[235Am]"]
["91121811","IP=[I+]"]
["198171278","CC=[I+]"]
["1097403","I[I+]"]
["91081332","CC(C)=[I+]"]
["51547393","I[Se][I+]"]
["100940428","[2H]C([2H])=[I+]"]
["79215218","I[Te][I+]"]
["97137311","[2H][C]=[I+]"]
["79698206","[O+2]=[I+]"]
["96700871","[C+]=[I+]"]
["1098787","O=[I+]"]
["1105150","[SeH3]"]
["79626580","SSSS.[W]"]
["79045921","SSSS.[Mn]"]
["175965397","N[TeH]=O"]
["79220346","N.SSSS"]
["176323031","O=[16CH]O"]
["1100975","SSSS"]
["78270892","SSSS.[Os]"]
["78893093","SSSS.[Nb]"]
["175671113","[56Cr]"]
["26154511","N=[14C]O"]
["175021846","SSSS.[Zn]"]
["60010188","[115Sb]"]
["42115393","[13CH2]=[13CH]Cl"]
["79076320","[24SH2]"]
["96695912","C=CCl"]
["173431608","[Cl-].[NH3+][S-]"]
["79222604","[NH3+][S-]"]
["79653758","O.[NH3+][S-]"]
["181227472","C=[13CH]Cl"]
["175671593","[117Xe]"]
["91014888","N=[As]F"]
["171039789","C[AsH-](C)C"]
["79656781","[Fe].[NH3+][S-]"]
["59240436","[Fe+6]"]
["162132763","[Ba+2].[Fe+6]"]
["26720928","C[C-]=[F+]"]
["191956537","[Cs+].[Fe+6]"]
["170843417","O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[Fe+6]"]
["66294067","I[Se+](I)I"]
["91353620","C1#C[Se]C#C[Se]C#C[Se]C#C[Se]1"]
["91026727","N[C+]=C=[C+]N"]
["43417076","C[C-]=O"]
["191876831","[Fe+6].[Li+]"]
["79657811","F[OH+]Br"]
["193238463","[Fe+6].[Sr+2]"]
["175672343","[197Fr]"]
["56299438","B=C(O)O"]
["78687139","[BH]N(C)C"]
["78539561","B=BI"]
["174343146","O=S(=O)([OH2+])[OH2+].[H-].[Na+]"]
["78102207","B=O.[Co]"]
["97606122","[BH]OC"]
["79530356","B=O.[Ti]"]
["78979431","B=O.O"]
["42133671","[2H][B]C.[Y]"]
["78350014","B=S=P"]
["51385391","O=S(=O)([OH2+])[OH2+]"]
["79880495","[280Pb]"]
["172749767","C[GeH](N)N"]
["53391096","[2H][I-]I([2H])I"]
["170683611","Cl[Ge-2](Cl)(Cl)(Cl)(Cl)Cl"]
["175671564","[114Ba]"]
["78566790","FP=S(I)I"]
["175672621","[255Md]"]
["170457314","Cl[Ge-2](Cl)(Cl)(Cl)(Cl)Cl.[Cs+].[Cs+]"]
["65911423","[88Rb]"]
["79074503","N#S([O])([O])F"]
["56708474","[136Nd]"]
["192907367","[OH3+].[Si+4]"]
["67066971","O.[Si+4]"]
["176959543","O.O.[OH3+]"]
["66294360","[Fe].[OH3+]"]
["170711521","[Al].[OH3+]"]
["157370468","[Al+3].[Ti+3]"]
["172757858","S.[Si+4]"]
["174416583","C.[OH3+].[Pd]"]
["170901209","[OH3+].[OH3+]"]
["171041193","[OH3+].[OH3+].[Ti]"]
["54084603","[F-].[Si+4].[Zn+2]"]
["189789136","C.[OH3+]"]
["79307745","[2C]"]
["157367347","Cl.IOI.[Bi]"]
["192977826","IOI.[Zn]"]
["192185362","IOI.[Mo]"]
["161995218","I.IOI.[Bi]"]
["175830374","IOI.[Ga].[Li+]"]
["79091754","IOI.[W]"]
["190523158","IOI.[Ni]"]
["55235298","IOI.[Al]"]
["193253657","IOI.[Sr]"]
["172755599","IOI.N.[Zr+4]"]
["158184997","IOI.[Sn+4]"]
["79335983","[3Ni]"]
["79886490","C1OO1.[Fe]"]
["47210303","C[O+]=[Si-].Cl"]
["185081242","N1P[NH2+]P1"]
["27034431","C1OOO1"]
["66415108","B1=BC1.[Y].[Y]"]
["150604082","[B+]=[O+]C.[Cl-].[Cl-]"]
["64178377","C[O+]=[Si-].N"]
["91643853","[Se][As]([Se])([Se])=[Se]"]
["185699311","C1=C[NH2+]1"]
["79867859","C[O+]=[P-].Cl.Cl"]
["191895786","C[O+]=[Si+]"]
["175671709","[129Pd]"]
["79425204","ClP(Cl)(Cl)(Cl)Cl.[Cl-].[N+]"]
["78543418","B[SiH]=O.[Li+]"]
["79505136","[SiH3]/[SiH]=[SiH]/[SiH3]"]
["43295231","O=[SiH]F"]
["79652788","O=[SiH][SiH2][SiH]=O.[K+]"]
["175671830","[140Sm]"]
["79215184","[F-].[N+].[SiH4]"]
["161824066","C[Ge]=P"]
["79023781","O=[SiH]Br"]
["45482414","N[SiH]=[SiH2]"]
["175700606","O=[SiH][S-].O=[SiH][S-].[Zn+2]"]
["1099719","B1SBS1"]
["24351275","C#CC(C)(C)N"]
["100858073","B1N[BH2-][NH2+][BH2-][NH2+]1"]
["116296366","B1CS1"]
["91141552","C1=[O+]CCS1"]
["161366353","O=S123SS1(#S2)S3"]
["63370932","B1SCCS1"]
["159440624","C#CC(C)(C)N.C#CC(C)(C)N"]
["175672641","[258Rf]"]
["161889144","ClC1=NS1"]
["74956091","S1C2SC34SC3SC12S4"]
["102953205","B1NB[NH2+][BH2-]N1"]
["79809701","[21Fe]"]
["79058394","[106Ar]"]
["174898504","O=C([TeH])[TeH]"]
["79703817","[123Mn]"]
["191258676","O[TeH]"]
["174612933","O[TeH].[Cu].[Zn]"]
["174645279","O1[OH+][SiH2]1"]
["59995176","O=P(=O)NP(=O)=O"]
["174424158","O.O[TeH]"]
["79683604","[Se]=C([TeH])[TeH]"]
["174110546","[B+]=[P-](=[B+])([S-])[S-].[H+]"]
["168340175","[CH2+]C([CH2+])(C)C"]
["175671942","[151Lu]"]
["54381809","CS(C)(C)(C)(C)C"]
["78538110","CS(C)(I)(I)(I)I"]
["78584721","CS(I)(I)(I)(I)I"]
["169962388","CS1(C)#S(C)(C)S(C)(C)#S(C)(C)S(C)(C)#S1(C)C"]
["83055769","B1=[As]B=[As]B=[As]1"]
["191774569","ONC(NO)NO.ONC(NO)NO"]
["26836504","OC[SiH3]"]
["163703350","CS1(C)BS(C)(C)B1"]
["25942167","ONC(NO)NO"]
["175555772","O.OC[SiH3]"]
["91010289","CS(C)(C)(C)(F)F"]
["79217899","[135Pr]"]
["100987363","B1[C+]=[BH-]C1"]
["193903295","FOF.[Ar]"]
["78298440","F.FOF"]
["78168666","FOF.[Sr]"]
["78167774","FOF.[La]"]
["191051485","FOF.[K+].[Nb]"]
["79182852","FOF.[Ag].[Mo]"]
["79391773","FOF.[Sb]"]
["64538340","FOF.[Cr]"]
["78169643","FOF.[Ca+2]"]
["79428301","FOF.[Al].[Sr]"]
["66377798","[142Nd]"]
["43909760","NN(N)N(N(N)N)N(N)N"]
["96967972","N1[GeH2]N[GeH2]N[GeH2]1"]
["1097065","[Si]#[Si+]"]
["96792154","N1[GeH2]N[GeH2]1"]
["79857590","C[BH2-][S+]"]
["175670961","[31Na+]"]
["175672599","[249Md]"]
["175671255","[77Rb]"]
["78405472","[96Pt]"]
["79927609","[93W]"]
["79894990","[SH2]=NCl"]
["79424454","NP=[PH3]"]
["79187444","OB(O)[N-]B(O)O.[Li+]"]
["49990955","[3H]P=S"]
["67917524","FC(F)=[F+]"]
["191664442","[213Bi].[H]"]
["172922183","[3H]P=[Te]"]
["79393492","Cl.NP=[PH3]"]
["64330188","[3H]P=O"]
["79334402","[SiH3][Ge+]=[SiH3-]"]
["78197843","[13O]"]
["79390759","CO[GeH](OC)OC"]
["51315034","C[C]C.[Hf+2]"]
["190285313","O[SiH2-]=[SiH2]"]
["84192446","C[C]C.[Ti]"]
["79476375","C[C]C.[Zn]"]
["185570589","C=[SiH2-]C.[Pt]"]
["99230418","C[C]C.C[C]C.[Zr]"]
["79127451","[Si+]=[SiH2-]O[SiH3]"]
["183094151","N[SiH2-]=[Si+]"]
["65040364","C[C]C.[W]"]
["174082214","[B+]=[SiH2-]O"]
["1101704","[3HH]"]
["192637294","F.[3HH]"]
["191224896","C.[3HH].[B]"]
["83215941","[67GeH4]"]
["191320366","CC.CCC.[3HH]"]
["192966946","CC.CC.[3HH]"]
["192864546","C=C.[3HH]"]
["193594698","[3HH].[3H]P"]
["200455299","CCC.[3HH]"]
["191913836","CN(C)C.[3H][3H]"]
["194376651","C=O.[3HH]"]
["174147038","Cl.[3HH]"]
["27308250","[133I]"]
["97228615","[Cl-].[Cl-].[Sc+2]"]
["81845386","[Al+].[Mg+2].[N-2][O-]"]
["79869120","O=[P-].[H-].[Sc+2]"]
["78965236","[N]N[N]"]
["175672217","[177Au]"]
["1096541","[N-2][NH-]"]
["96893282","N=[Se]=N"]
["175672199","[175Re]"]
["79282707","[148Hg+].[Cl-]"]
["170683466","[Se-][Se][Se-]"]
["61753123","[C+]#CP"]
["79781657","[131B]"]
["101084094","[Ag+].[O-][PH2+][O-]"]
["101820694","[O-][PH2+][O-].[O-][PH2+][O-].[Pb+2]"]
["68289406","BrSSBr"]
["79272222","C[SH2](C)(C)[O+].[F-]"]
["79371228","C[SH2](C)(C)[O+].[Br-]"]
["90960194","ClP1P(Cl)P(Cl)P(Cl)P(Cl)P1Cl"]
["101823804","[O-][PH2+][O-].[O-][PH2+][O-].[Zn+2]"]
["101820697","[Mg+2].[O-][PH2+][O-].[O-][PH2+][O-]"]
["100856353","C[SH2](C)(C)[O+]"]
["101611526","[Mn+2].[O-][PH2+][O-].[O-][PH2+][O-]"]
["101943140","[Ca+2].[O-][PH2+][O-].[O-][PH2+][O-]"]
["34106727","[Tc+7]"]
["175402046","FB(F)F.[Ag+].[F-]"]
["79231975","FB(F)F.I"]
["79392081","FB(F)F.[O]"]
["179626843","OI(Cl)Br"]
["78156913","FB(F)F.[Ca+2]"]
["173775122","[B]C([B])S"]
["173776123","FB(F)F.[H-].[K+]"]
["161436794","FB(F)F.[AsH3]"]
["174869894","C.FB(F)F.[Fe]"]
["193965031","FB(F)F.[Ti]"]
["68157515","F[10B](F)F"]
["175671580","[116Ag]"]
["172754166","[Pm].[Pu]"]
["172783413","[Pu].[Pu].[U]"]
["79938818","[Pu].[S]"]
["59310976","O=P([O-])([O-])[O-].[Pu]"]
["64689349","F[As](Cl)Cl"]
["58846152","[OH-].[Pu]"]
["191365053","[Pu].[S-2].[S-2]"]
["158592214","[Cr].[Pu]"]
["49400712","[Be+2].[Pu]"]
["67561363","[Pu].[Ti].[U]"]
["91009467","[Ni].[Ni].[Pu]"]
["175672503","[228Np]"]
["161859252","SC(S)(S)S.SC(S)(S)S.SC(S)(S)S"]
["55232633","S=[As]([S-])([S-])[S-].[Na+]"]
["78172808","Cl[As](Cl)(Cl)Cl"]
["161800944","SC(S)(S)S.SC(S)(S)S"]
["156393810","C1=PCP=1"]
["79923536","[K+].[S-]C(S)(S)S"]
["51373682","SC(S)(S)/N=N/C(S)(S)S"]
["170619950","S=[As]([S-])([S-])[S-].[Ba+2].[Cs+]"]
["79063538","SOC(S)(S)C(S)(S)OS"]
["65698925","C=S(F)(F)(F)F"]
["79959686","N.SC(S)(S)S"]
["79373328","[102W]"]
["179400180","C=[N-].[U+]"]
["26456317","[CH]1NNNN1"]
["171898794","C=[N-].[Rb+]"]
["79675903","[100Ni]"]
["65643947","C=[N-].[CH3-].[La]"]
["52174278","C=[N-].[Li+]"]
["63091292","C=[N-].[K+]"]
["176275149","C=[N-].[Hg+]"]
["79924585","[Te]=C=[Te]"]
["81556267","C=[N-].[U]"]
["66635380","N1NNN1"]
["54799328","[62Ni]"]
["67522689","[CH2]N.[CH3].[Sn+2]"]
["99684928","[CH2]N.[CH3].[Sn]"]
["97269502","C#S[CH2]"]
["79540247","[CH2]N.[Sn]"]
["79086410","O1[Si]23O[Si]1(O2)O3"]
["172022597","[2H]PI.[Mn]"]
["96681383","[2H][C]([2H])N"]
["190538477","C=S.I.[2H]PI"]
["173412417","[CH2]N.[H].[Sn]"]
["78989728","[Ag].[CH2]N"]
["174361099","[CH2]N.[Pb]"]
["32250887","[33PH3]"]
["44365899","C1CCCCCCC1.[Fe]"]
["79574281","C1CCCC1.[Ru]"]
["56970612","C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1"]
["78193534","C1CCC1.C1CCCCCCC1"]
["190505470","C1CCCCCCCCCCC1.N"]
["193780276","Br.C1CCCCCCCCC1"]
["26285896","C1CCCCCCCCCCCCCCCCCCCCCCCCCCCC1"]
["78337707","C1CCCCC1.[CH2]"]
["172750825","C1CCCC1.O.O"]
["78081120","C#C.C1CCCC1"]
["59077529","C.C1CCCCC1"]
["27309190","[99Mo]"]
["174489887","O1[SiH2][OH+][SiH2]1"]
["185394030","O[IH+]"]
["100852452","CC[IH+]"]
["185799977","CO[IH+]"]
["187501960","[43Ca+2]"]
["59770702","I[IH+]"]
["196686573","C[IH+].[Y]"]
["44654787","FC(F)(F)[IH+]"]
["78192677","P[IH+].[I-]"]
["97166988","F[Si]1C=C1"]
["175488512","[99Mo].[Ti]"]
["55805042","[22Ne]"]
["100875797","[GeH2]1[Ge@@H]2[Ge@@H]3[GeH2][Ge@]123"]
["42720337","Cl.[14CH3]N[14CH3]"]
["164548449","[O-]C#[As]"]
["100875798","[GeH2]1[Ge@H]2[Ge@@H]3[GeH2][Ge]123"]
["179629204","C[NH+](C)S"]
["101726452","[SiH]P"]
["182007870","O=[As](O)(Br)Br"]
["79896611","[225Pb]"]
["50305531","[14CH3]N[14CH3]"]
["175672606","[251No]"]
["83220274","[71AsH3]"]
["27304757","[60Fe]"]
["172800923","[S+]P[Se]"]
["24986776","CB(Cl)Cl"]
["1101226","[O]N=N[O-]"]
["47894635","C=[Si]=[Si-].[V+2]"]
["58179086","N12N3C14N1N4C231"]
["55130573","C=[Si]=[Si-].[V]"]
["150610630","BPNPB"]
["1103158","[U+6]"]
["186884353","Br[GeH2]Br.[SiH4]"]
["79014368","[N-3].[N-3].[U+6]"]
["170586881","[Se-][Si]1([Se-])[Se][Si]([Se-])([Se-])[Se][Si]([Se-])([Se-])[Se]1"]
["174959937","F[Te](F)(F)(F)(F)F.N"]
["102936019","[BH+]C[GeH2-]"]
["1103813","F[Te](F)(F)(F)(F)F"]
["174558875","F[Te](F)(F)(F)(F)F.F[Te](F)(F)(F)(F)F"]
["79703764","[P-3].[P-3].[U+6]"]
["101033472","B[N]C"]
["78211232","O=[As]([O-])([O-])[O-].O=[As]([O-])([O-])[O-].[U+6]"]
["78141381","[114Ar]"]
["61579328","[214Pb]"]
["182615144","NP(N)(N)(N)N"]
["83220031","[214Pb].[H].[H]"]
["103012585","N[BH2-]F"]
["58479183","I[SiH2][SiH2]I"]
["99199733","C12[P@]3C4[P@]1[PH]243"]
["78533505","C12P3C4P1[PH]243"]
["97188065","[F+]=[C+][F+2]"]
["96532113","[Ge]1#[Ge][GeH+][GeH+]1"]
["49436175","Cc1ccc[n-]1.[Na+]"]
["116260194","Cl[14c]1[14c](Cl)[14c](Cl)[14c](Cl)[14c](Cl)[14c]1Cl"]
["174909331","Cc1ccc[n-]1.[U]"]
["175160085","CC.Cc1ccc[n-]1.[K+]"]
["58901542","Cc1ccc[n-]1.[CH3-].[Y]"]
["90934605","[B+]=C[C-](Br)Br"]
["96953889","[Ge]1=[GeH][GeH+]1"]
["175672553","[238Bk]"]
["174836400","Cc1ccc[n-]1.[K+]"]
["1098676","[57Fe]"]
["172005129","Cc1ccc[n-]1.[V]"]
["79768975","[117Ni]"]
["54178890","[H].[I-].[Pt+]"]
["190139905","CP(C)C.[Br-].[Pt+]"]
["78300376","O=[Te]([O-])[O-].[GeH2+2]"]
["97864825","[C]#C[N-].[K+]"]
["97536171","[CH2].[Cl-].[Pt+]"]
["79449839","[NH-]Cl.[Pt+]"]
["44015561","[Cl-].[H].[Pt+]"]
["79177627","[Pt+].[S-]"]
["174761172","CN(C)C.[I-].[Pt+]"]
["96913303","[C]#C[NH-].[Pd]"]
["78295240","C=C.[Cl-].[Pt+]"]
["65209246","[141Nd]"]
["175671595","[117Ba]"]
["194763441","[2H]S(C)(C)C"]
["60272724","[B]=S(F)[18F]"]
["91443786","N[Si+](N)N"]
["79321158","N.PS"]
["83978589","ClC=[Cl+]"]
["1096651","[3H+]"]
["91393164","[B]=C1C=C1"]
["69625664","[B]=S(F)F"]
["57216543","P.PS"]
["91015186","C12C3C4C1N1N2N3N41"]
["175671051","[45V]"]
["170466932","Br[Te+](Br)Br"]
["54937142","C[Te](C)=[Te]"]
["166571190","O[Cl+2](O)O"]
["175672380","[204At]"]
["192022809","C[15CH2]O"]
["175671938","[151Ho]"]
["34518502","[149Sm]"]
["91520811","C=C([CH2+])C(=C)[CH2+]"]
["166670504","[147Sm].[148Sm].[149Sm]"]
["81420554","N[S-].[K+].[SH-]"]
["185008336","O=[36S](=O)([O-])[O-]"]
["100869507","[P-]1[P-][Ge-2]1"]
["173121018","N[S-].[Fe]"]
["79700596","N[S-].[Ni+]"]
["159387227","N[S-].N[S-].[Co+2]"]
["179626238","Br[B]I"]
["81429519","NO.N[S-].[U]"]
["197697275","[B][P-]P(=[B])=[B]"]
["190943270","[Sn+2].[Sn+2].[Sn+2]"]
["190555228","CNC.[Rh+3]"]
["79215979","CNC.[Ti]"]
["58218097","[CH2]C.[CH3].[Sn+2]"]
["79699056","CN[O-].CN[O-].[Pt+2]"]
["33521899","C[N-]C.C[N-]C.[Sn+2]"]
["78136662","CNC.P"]
["100287790","CNC.CS"]
["172688191","N.[Sn+2]"]
["180959853","CN[GeH]"]
["494800","CNO"]
["23025678","[Cl-].[Cl-].[Sn+2]"]
["175672090","[164Ta]"]
["79594577","O=[PH2]O.[Zr]"]
["79857589","BC.BC.S"]
["78251704","O=[PH2]O.[Ga]"]
["78289958","O=[PH2]O.[Be]"]
["79458507","O=[PH2]O.[Ru]"]
["171175920","C=C1[Se][Se]1"]
["79906193","BC.[Cr]"]
["79034019","O=[PH2]O.[Cu]"]
["78557093","O=[PH2]O.[Ca+2]"]
["79809689","O=[PH2]O.O=[PH2]O"]
["79734892","O=[PH2]O.[Ir]"]
["175672213","[177Tm]"]
["96694439","[Si]1=[SiH][SiH+]1"]
["79876000","ClC(Cl)[AsH2]"]
["97474182","NC(N)[AsH2]"]
["97547320","N#P1C#C1"]
["174897732","[B]=CCl"]
["62175247","CC(C)(F)C(C)(C)F"]
["33651150","[210Bi]"]
["161796067","NN[S-]"]
["101702777","[SiH+]1[SiH2][SiH2][SiH2]1"]
["79189056","OB(O)NB(O)O"]
["91585386","C(=C=C1P=P1)=C1P=P1"]
["101340072","[161Pd]"]
["96734962","FC[79Br]"]
["185008337","O=[36S](=O)(O)O"]
["185394910","Br[SiH]1[SiH](Br)[SiH](Br)[SiH](Br)[SiH]1Br"]
["44136185","[3H]SCl"]
["168481760","C[Si-](C)(C)C"]
["185394077","Br[SiH]1[SiH](Br)[SiH](Br)[SiH](Br)[SiH](Br)[SiH](Br)[SiH]1Br"]
["185399704","Br[SiH]1[SiH](Br)[SiH](Br)[SiH](Br)[SiH](Br)[SiH]1Br"]
["79483388","[3H]C=C([3H])[3H]"]
["79212365","B1NBN1"]
["34215435","[18F]CBr"]
["26812670","[CH+]=C=[N-]"]
["175672405","[208Fr]"]
["98400729","CN.[2H]C#C"]
["59100598","C[SiH].[Y].[Y]"]
["196457964","C[SiH].[Ge].[Ge]"]
["145641835","I/N=N\\I"]
["97335220","[2H][Si]C"]
["97848291","[2H]C#[13CH]"]
["161683182","O.[2H]C#C[2H]"]
["26664379","BrC1(Br)C(Br)(Br)C1(Br)Br"]
["79168212","C#[O+].[Fe]"]
["172165982","C[TeH2]C"]
["91441928","I[As](I)[As+](I)(I)I"]
["79694701","[216Pb]"]
["78205414","C1CO1.[Ti]"]
["79007520","C1CO1.[C]"]
["79336712","C1CO1.[Ar]"]
["175770491","C1CO1.[Mo]"]
["161700617","C1CO1.I"]
["79337004","C1CO1.[He]"]
["75745136","C1CO1.C1CO1.O"]
["1067174","C1CO1"]
["79353379","C1CO1.[Si]"]
["149728946","CC12C3C1(C)C32C"]
["171880674","C[GeH]C.[GeH3]"]
["175671284","[81Ga]"]
["97533037","CB(C)[SiH3]"]
["172866627","O=[132Te]([O-])[O-].[Na+].[Na+]"]
["175910261","O[Se][Se]O"]
["59840662","[GeH2+]C[GeH2-]"]
["175671217","[73Ni]"]
["57013268","[Si]1#[Si]C2[Si]#[Si]C1[Si]#[Si]2"]
["175944378","[SeH2].[Yb+3]"]
["172761363","[Cu+].[SeH2]"]
["79575395","[Li+].[SeH2]"]
["78952251","[SeH2].[Zn]"]
["174986155","O.[Co].[SeH2]"]
["78735078","[Ag].[GeH4].[SeH2]"]
["24615146","[F-].[O-2].[Yb+3]"]
["78211590","[O-2].[SeH2].[Zn+2]"]
["78225344","[Na+].[SeH2].[TeH2]"]
["200575473","[Gd+3].[Yb+3]"]
["173297718","[B].[SeH2]"]
["187338414","O.[Cl-].[Yb+3]"]
["173159257","[20OH2]"]
["79067623","[C].[OH].[Si]"]
["42982849","[2H][O]"]
["79645737","N[AsH]N"]
["86742","CCCC"]
["59151100","[OH].[Zn]"]
["78096900","[Na+].[OH-].[OH]"]
["79548033","[Br-].[Br-].[SeH2+2]"]
["78274246","N#C[O-].N#C[O-].[SeH2+2]"]
["25557243","CCCC.CCCC"]
["79219928","O=[Se]([O-])[O-].[SeH2+2]"]
["79337102","[Ar].[C-]#[O+].[OH]"]
["79880268","[282Pb]"]
["158661160","[B].[Rb]"]
["54866331","[Mo].[O].[Rb]"]
["78207525","I.[Rb].[Rb]"]
["79015515","[CH3].[Rb]"]
["175869191","[Cd].[Rb].[Si]"]
["172781536","N.[Fe].[Rb]"]
["45835485","[2H]P([2H])[2H]"]
["79186285","[H].[Li+].[Rb]"]
["79454164","[H].[Rb].[W]"]
["157758568","C=CC.[Rb]"]
["175751040","[Ga].[Rb]"]
["175672585","[246Fm]"]
["26142559","S=c1cc1"]
["172858609","F[S+](F)F.S"]
["185533310","S=C1OO1"]
["91287893","S=C1C(=S)C1=S"]
["175672111","[166W]"]
["192942365","F[P-](F)(F)(F)(F)F.F[S+](F)F"]
["91372973","S=C1C(=S)C(=S)C1=S"]
["61637409","S=C1C(=S)C(=S)C(=S)C(=S)C1=S"]
["79514512","[114Co]"]
["175672244","[181Pt]"]
["170555642","F[B-](F)(F)F.F[S+](F)F"]
["185874398","[Tc+5]"]
["160037207","[Li+].[Mn+2].[O-]P([O-])[O-]"]
["56268867","O.[Na+].[O-]P([O-])[O-]"]
["79106990","[Fe+3].[H+].[O-]P([O-])[O-]"]
["192288663","[Br-].[Br-].[O-]P([O-])[O-]"]
["91667113","N#C[Si+]"]
["32217008","CSC.[Cu+].[I-]"]
["58339747","[99Tc+5].[O]"]
["177583638","[Ho+3].[O-]P([O-])[O-]"]
["172860392","[Ca+2].[Na+].[O-]P([O-])[O-]"]
["174156368","[Cu+].[O-]P([O-])[O-].[Zn+2]"]
["173347161","CSC.[B].[HH]"]
["175671892","[146Er]"]
["91086285","[Si]1=[Si]=[Si+]1"]
["54811237","Br[Si](Br)(Br)O[Si](Br)(Br)Br"]
["173726384","B#S(F)(F)F"]
["78529401","P=c1cc1"]
["78676519","C[GeH2]F"]
["79835964","O[SiH2][AsH2]"]
["79195110","[114Pb]"]
["1099075","[O-][Si]([O-])([O-])O[Si]([O-])([O-])[O-]"]
["1097654","O[Si](O)(O)O[Si](O)(O)O"]
["175671096","[54K+]"]
["185367704","[SiH3][SiH]([SiH3])[Si]([SiH3])([SiH3])[SiH3]"]
["189098563","FS(F)(I)#I"]
["168464942","[Si]1#[Si][Si]23[Si]#[Si][Si]12[Si]#[Si]3"]
["100850395","C[AsH-]"]
["91160103","[Te][Si]([Te])=[Te+]"]
["78998521","C=C[OH2+]"]
["192308773","C[AsH-].[Na+]"]
["79010581","[N]1N=NN=N1"]
["168458032","[OH2+]C=[Si+]"]
["191368740","C=C[OH2+].N"]
["79289108","C=C.C=C[OH2+]"]
["96522547","[C+][CH2+]"]
["175671185","[67Kr]"]
["65407758","[159Ho]"]
["1105496","[C+]#N"]
["79375536","[CH2+]COCC[S-]"]
["79787256","[151S]"]
["79609589","[CH-]=C/C=C/S[CH2+]"]
["79202400","[14Si]"]
["173238877","C=CC([NH3+])P=O"]
["79941690","[C+]#SSSSSS#[C-]"]
["175672307","[191Au]"]
["79243040","[C+]CC[C-]"]
["1105838","[AsH2+]"]
["175508192","N=[Se](=O)=O"]
["26303207","[CH2]N(F)F"]
["172123846","P=P[S-]"]
["159657842","[nH]1[nH][nH]s[nH]1"]
["33381312","[165Dy]"]
["54873572","[B]=NP"]
["97740153","C[Se](C)=N"]
["64996327","[B+]=P[S-]"]
["49599490","N=[Se](N)N"]
["173816814","[165Dy].[Re]"]
["67253241","O=P[S-]"]
["175671503","[108Mo]"]
["173109751","[19CH4]"]
["175672224","[178Hg]"]
["150616639","IOBOI"]
["185367138","PPPPP"]
["79832161","S[Si](S)(S)S"]
["44722653","P1P2P3P[P+]123"]
["170629462","O1P2OP1O2"]
["175670976","[33Al]"]
["183024040","O[AsH](O)(F)F"]
["172180881","[2H][B-]=C"]
["64571186","P1P2P3P[P+]123.[Co]"]
["45785761","[84BrH]"]
["1097364","[PH-]"]
["64671198","Cl[PH+](Cl)Br"]
["47440806","[2H][P-]"]
["56961370","Cl[PH+](Cl)Cl"]
["48727567","F[PH+](Cl)Cl"]
["68730169","[Si+]=[Br+]"]
["171887551","Cl[PH+](Cl)Cl.[Y]"]
["181872477","Cl[PH+](Cl)Cl.[Ir]"]
["45457717","F[PH+](F)Cl"]
["190484144","Cl[PH+](Cl)Cl.N"]
["79083377","[92Ir]"]
["78960937","[165Au]"]
["173958802","F[GeH2].F[GeH]F"]
["164329045","[Li+].[Mg+2].[N-]"]
["78170890","[Ce].[NH2]"]
["60854788","[Mo+2].[N-].[O]"]
["194578273","[Bi].[N-].[U]"]
["173410477","[Ir].[NH-]Br.[NH2-]"]
["172066334","[K+].[N-].[V]"]
["70122534","[N-].[S].[U]"]
["48699022","F[GeH]F.[GeH3]"]
["1103648","[NH2]"]
["67422004","F[GeH]F"]
["23008799","[34SH2]"]
["100882012","[NH-]C#[Ge+]"]
["161880529","[O-]C#[Ge+]"]
["79887520","N[P]"]
["79450355","[101He]"]
["79159530","C[OH+]Cl.N"]
["168518176","F[Si]1[Si]#[Si]1"]
["78309449","O1O[P]1"]
["51803056","[PH-]C#[Ge+]"]
["155731853","C[IH]O"]
["91585969","ClB1C2B(Cl)C1B2Cl"]
["96832100","C=C=[AsH]"]
["78955614","[33Si]"]
["192441501","C[SiH2]C.[Fe]"]
["79380792","CO[AsH]C"]
["171945028","C[NH+](O)O"]
["193846631","C[SiH2]C.[Ti+2]"]
["191354402","C[SiH2]C.[Hf]"]
["190731276","C[SiH2]C.F"]
["166537429","C[SiH2]C.[SiH4]"]
["58519621","CC.C[NH+](C)O"]
["173550316","C[SiH2]C.[HH]"]
["192096760","C[SiH2]C.[Si]"]
["67678465","C[NH+](C)O.Cl"]
["175671189","[68Ni]"]
["79007822","N=S(=O)=O.[Li+]"]
["192238952","N=S(=O)=O.[K+]"]
["173451975","O=[Te]([O-])[O-].[Ag]"]
["47717207","O=[Te]([O-])[O-].[Sr+2]"]
["24288451","O=[Te]([O-])[O-].[Na+].[Na+]"]
["174977728","N=S(=O)=O.[Zn]"]
["79217068","O=[Te]([O-])[O-].[Zn+2]"]
["54214565","O=[Te]([O-])[O-].[Li+].[Li+]"]
["167159083","O=[Te]([O-])[O-].O=[Te]([O-])[O-].[Mo+4]"]
["100850403","C#C[BrH+]"]
["54218611","O=[Te]([O-])[O-].[Cu+].[Cu+]"]
["79888667","[6Ar]"]
["175672447","[215Bi]"]
["195585825","Pc1c(P)c(P)c(P)c(P)c1P"]
["44655493","[S-]OI.[SH-].[Y]"]
["175306000","[Na+].[Na+].[S-]O[S-]"]
["100850398","C=C[AsH3+]"]
["62199619","CO[S-].[NH2-].[V+2]"]
["100850394","C[AsH3+]"]
["195664654","C[AsH3+].[I-]"]
["1102196","[S-]OO[S-]"]
["100850396","CC[AsH3+]"]
["179624072","N[AsH3+]"]
["52828093","[Mn+2].[Pr+3].[Sr+2]"]
["650602","[Pr+3]"]
["59625934","[Fe+2].[Mn+2].[Sr+2]"]
["190644402","[Mn+2].[O-2].[Pr+3]"]
["42496525","[Mn+2].[Mn+2].[Mn+2]"]
["50297776","[La+3].[Mn+2].[Sr+2]"]
["175671589","[117Pd]"]
["62810745","[Mn+2].[NH3+]CCO"]
["78995551","[GeH2-].[GeH2-].[Sr+2]"]
["178938379","C1CCC2(C1)C[OH+]2"]
["175672219","[177Tl]"]
["79299861","[C-]#N.[C-]#N.[Mn+2]"]
["43299975","[134Te]"]
["183653432","N#C[125I]"]
["24310301","B12B3[B-]14B1B4[B-]231.[SiH2+2]"]
["101726784","[AsH-][AsH][AsH2].[Ga+].[Zn]"]
["56560194","B12B3B4B1[Si]41B2B31"]
["79360550","[113Co]"]
["45063946","[253Fm]"]
["163647182","B12B3B4B1C234.[B]"]
["91499810","FB1C=C1"]
["170205467","B12B3[B-]14B1B4[B-]231.[Ce+2]"]
["42776589","C1B2CB1C2"]
["83491661","BB1CC1"]
["79286116","[126Ar]"]
["48584838","O[O+]=[Si-]O"]
["79787429","[9Fe]"]
["101177273","CO[PH2+]OC"]
["185292880","BrOB(Br)OBr"]
["173820000","[B]1CP1"]
["79098384","C[Si](C)(C)[As]"]
["1101642","[Mn-]"]
["195112883","[127Cs+].[H-]"]
["186847921","CS(C)(C)(C)=[As]"]
["78056380","C=II=C"]
["65110977","C#[Si][Si]#C"]
["59236667","C#[Si]C"]
["78620234","C#[Si]N"]
["101724967","[Si+]1=[SiH][SiH2]1"]
["171774871","[Mn-].[O]"]
["100869028","C#[Si][NH]"]
["97523278","[C]1=[B-]2[C+]=[B-]12"]
["191780146","CO[SiH3].CO[SiH3]"]
["1102523","[77Se]"]
["91670416","Cl[As](Cl)I"]
["46144461","C[As](C)Br"]
["83943620","S=[Ge]Cl"]
["78326352","Cl[SiH](Br)Br"]
["47844348","S=[AsH](Cl)Cl"]
["59504845","[CH2+]CN"]
["91581925","Cl[As](Br)Br"]
["1104496","N#C[Te-]"]
["78359739","[3H]BF"]
["185153356","[O-][As]([O-])Br"]
["91374805","N[As](Br)Br"]
["175671783","[135Eu]"]
["66210743","[SiH2]1[SiH2][SiH2]P[SiH2]1"]
["102974242","NC[Cl+]"]
["171654456","C[As](C)(C)(C)Cl"]
["170532375","[BH3-]N([BH3-])C"]
["175672573","[243Es]"]
["91259694","[Te]P(=[Te])=[Te]"]
["177078115","[2H]P([2H])F"]
["175672481","[223Pa]"]
["189826869","[40PH]"]
["79193534","[SiH3][CH][SiH3]"]
["179626836","O[B]Cl"]
["99521154","N=[N+](P)P"]
["58123177","C1#CC#CC#CC#CC#CC#CC#CC#C1"]
["91132138","C1#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C1"]
["1101120","[PH3+]"]
["99554488","O=C1C#CC#C1"]
["91132142","C1#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C1"]
["91132146","C1#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C1"]
["34005076","C1#CC2(C#CC#CC3(C#CC#CC4(C#CC#CC5(C#CC#CC6(C#CC#CC7(C#CC#CC8(C#C1)CC8)CC7)CC6)CC5)CC4)CC3)CC2"]
["167344100","C1#CC2(C#CC#CC3(C#C1)CC3)CC2"]
["184137909","C=C1C#CC#C1"]
["43825893","C1#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C1"]
["91647450","B1=NB=NB=NC#CC#CC#CC#CC#CC#CC#C1"]
["167326153","C1#CC2(CC2)C2(C#CC#CC3(CC3)C3(C#CC#CC4(CC4)C4(C#C1)CC4)CC3)CC2"]
["46074193","[26FH]"]
["97830395","[C]1=[O+]C1"]
["161881832","N=[P+]1CS1"]
["76927068","[59Fe+2]"]
["101302122","[CH2+]C[SiH3]"]
["185774362","C[SiH]1[SiH](C)[SiH](C)[SiH](C)[SiH]1C"]
["185697896","C[SiH]1[SiH](C)[SiH](C)[SiH](C)[SiH](C)[SiH](C)[SiH](C)[SiH]1C"]
["49644377","C[SiH]1[SiH](C)[SiH](C)[SiH](C)[SiH](C)[SiH]1C"]
["65233611","C[SiH]1[SiH](C)[SiH](C)[SiH]1C"]
["97354559","B1C[GeH2]1"]
["84195734","O[Si]#[As]"]
["175672324","[194At]"]
["187488394","[Se]P(=[Se])([Se-])P([Se])(=[Se])[Se-]"]
["91172747","FP(S)S"]
["170683032","[Se]P([Se])(=[Se])P(=[Se])([Se-])[Se-]"]
["192250045","[SiH3]C[SiH]([SiH3])[SiH3]"]
["187040094","C[IH](Cl)(Cl)Cl.[Al]"]
["96722967","C1#C[SiH]1"]
["84187172","[Se]P([Se])([Se])=[Se]"]
["91172766","N=P([Se])([Se])[Se]"]
["175672193","[174Au]"]
["175672171","[172Re]"]
["12598072","[2H][18OH]"]
["27059944","C[Si]1(C)[Si](C)(C)[Si]1(C)C"]
["97770636","ClC(Cl)([37Cl])[37Cl]"]
["78433658","[2H][18O][2H]"]
["161511805","C1[P]P[P]1"]
["177096955","[2H]P[B].[Au].[Y]"]
["163563362","[70Ge]"]
["96877682","ClC([37Cl])([37Cl])[37Cl]"]
["182170506","C[Si](C)(C)[SH2+]"]
["172078951","[2H]P[B].[CH3-].[Y]"]
["175671074","[50K+]"]
["79672071","[Hf+].[NH2-]"]
["78086705","[Cl-].[Hf+].[Zr]"]
["167340450","CO[Si-](OC)(OC)OC"]
["154707350","[Cf+3]"]
["79210518","[F-].[Hf+]"]
["79044279","[148Fe]"]
["173326639","[SiH3]O[B]O[SiH3]"]
["79935237","[Hf+].[OH-].[SiH3]"]
["78395852","[Hf+].[O-][Si](O)(O)O"]
["79096457","N[O-].[Hf+]"]
["78076426","[CH3].[Hf+].[I-]"]
["175672391","[206Hg]"]
["57478976","[2H][IH]F.[V]"]
["78426493","[3H][PH]([3H])=O"]
["171919980","[3H]I([3H])F"]
["172893028","[2H][IH]I.[V]"]
["54211007","[2H]I([2H])C"]
["91115367","[CH+]=[Si]=[Si-]"]
["58682993","[3H]I([3H])C"]
["171998553","[3H][IH]I.[CH3-].[Y]"]
["49902901","[2H]I([2H])I"]
["44851788","PB(P)C(P)(P)P"]
["175672037","[160Eu]"]
["167097154","[120Mo]"]
["23268234","ClI(Cl)Cl"]
["181369500","FI(Cl)Cl"]
["97060153","CO[Ge-]OC"]
["161498174","CI(Cl)Cl.[SiH4]"]
["170466984","O[Te]1(O)(O)(O)O[Te](O)(O)(O)(O)O1"]
["79858376","N#[SiH].[Ga]"]
["192539141","F[Ge-]=[F+].[NH4+]"]
["79040437","N#[SiH].[Al]"]
["79371308","N#[SiH].[Hf]"]
["79897110","N#[SiH].[La]"]
["79656148","N#[SiH].O=[SiH2].[Al]"]
["175671885","[146Cs]"]
["174048266","Cl.NNBr"]
["101703344","C[GeH](C)C.Cl"]
["79612271","C[GeH](C)C.[Br-]"]
["195303136","C[GeH](C)S[GeH](C)C"]
["185420951","[NH-]C(Cl)Cl"]
["174415639","C.C[GeH](C)C"]
["24815573","C[GeH](C)C"]
["171962431","N[C-]=CN.[Y]"]
["79936702","C[GeH](C)C.N"]
["171672078","N=C1CC1=N"]
["101706925","C[GeH](C)C.C[GeH](C)C.S"]
["66693657","[Rh+2].[Rh+2].[Rh+2]"]
["64939954","C=O.[SH-]"]
["193809161","O.O.[Rh+2]"]
["185570969","[Cl-].[F-].[Rh+2]"]
["79019804","C=O.[CH]"]
["61985863","C=O.C=O.O"]
["191212994","C=O.[Br-]"]
["190349975","C=O.[F-]"]
["185765826","[CH-]=O.[Rh+2].[Rh]"]
["175519556","[CH3-].[NH2-].[Rh+2]"]
["48216665","N.[Rh+2]"]
["58477048","[I-].[I-].[Rh+2]"]
["175671641","[121Pr]"]
["78940772","O=[Xe](F)(F)(F)F"]
["63538557","[CH]1SS1"]
["78721582","[131SH2]"]
["172726332","[51Cr].[Na+]"]
["91033461","C#[Se+]"]
["172093271","[N-]=[P+]=[Si-].[Pd]"]
["75171","[51Cr]"]
["96702307","[SiH2]=[Si]=[SiH2]"]
["78721215","CP(C)(C)(C)O"]
["1103353","[197Po]"]
["61369086","[99Ru+2].[CH3-].[CH3-]"]
["1098928","[99Tc]"]
["174426352","[F-].[HH].[Rb+]"]
["55513706","[NH-]O.[Rb+]"]
["174596722","[CH3-].[Rb+].c1ccccc1"]
["49261091","O=[As]([O-])([O-])[O-].[Rb+].[Ti+2]"]
["83113610","[S-2].[Tc]"]
["79603682","[Ag].[Tc]"]
["52068073","[O-]Cl.[Rb+]"]
["24784206","F[B-](F)(F)F.[Rb+]"]
["170617587","[Li+].[Rb+].[S-2]"]
["173256285","SS.[H-].[Rb+]"]
["56914003","[Rb+].[SH-]"]
["175670928","[24Al]"]
["173952652","B#SNS#B"]
["177187128","C[ClH+]"]
["57175576","CS(C)(C)(=[OH+])I"]
["145255443","S=S(I)(I)(I)I"]
["78678982","C=S(I)(I)(I)I"]
["173987720","[B]NS#B"]
["58068536","C1[GeH2]C[GeH2]C[GeH2]1"]
["110910793","C1P=[PH+]1"]
["175672274","[186Hg]"]
["175133710","[100Mo].[Fe]"]
["33942068","[100Mo]"]
["175671676","[125La]"]
["79859410","C=[PH2]F"]
["57691088","Br[14CH2][14CH2]Br"]
["171691764","C1=[Si]O1"]
["60042684","Cl.N[14CH2][14CH2]N"]
["61862741","C[14CH2]O"]
["99202531","Cl.N[14CH2][14CH2]S"]
["1096678","O=[I-5](=O)(=O)(=O)(=O)=O"]
["99202532","N[14CH2][14CH2]S"]
["163921368","Cl[14CH2][14CH2]Cl"]
["51648049","O=[I-5](=O)(=O)(=O)(=O)=O.[Na+]"]
["111026310","Cl.Cl.N[14CH2][14CH2]N"]
["32665939","[166Tb]"]
["32114036","CC(C)=[17O]"]
["99853981","P1C23P[P+]12P3"]
["1105337","O=[Cl+](=O)=O"]
["161680113","[Li+].[Li+].[Se-][C-]1CC1"]
["79081411","O=[Cl+](=O)=O.[F-]"]
["79233647","[12P]"]
["200463662","C[13CH2]N"]
["177409122","N[B][SiH3]"]
["79551277","N=[SH2]=O.N=[SH2]=O"]
["241279","CCN"]
["79297847","N=[SH2]=O.[S]"]
["67369205","[2H]C[P-]"]
["65338626","C[13CH2][15NH2]"]
["78718346","O=B[SiH3].[Zn]"]
["78982000","O=B[SiH3].[Ta]"]
["175672423","[211Ra]"]
["174956817","[SiH3][B][TeH]"]
["50478925","[Sm].[Tb+3]"]
["56731478","[CH3-].[Tb+3]"]
["160507988","[Ce].[Sm].[Y]"]
["51123015","[Cl-].[Sm]"]
["83056709","[Ge].[Ge].[Sm]"]
["64540742","[Ag+].[Sm]"]
["90950010","[Co].[Ge].[Sm]"]
["79006069","[S].[Sm]"]
["44364672","[B].[Sm]"]
["79361861","[Fe].[Ni].[Sm]"]
["90962537","[In].[In].[Sm]"]
["175414948","O.[Co].[Sm]"]
["48389283","[184Re]"]
["79674396","[SiH2]1[SiH2]C2[SiH2][SiH2]C1[SiH2][SiH2]2"]
["91571213","[Te]=[As](=[Te])I"]
["22156463","[O-]NNF"]
["79619312","CP(O)(O)(O)O.[OH-]"]
["101702841","[Al].[C]C#[C+]"]
["100875795","[SiH2]1[Si@H]2[Si@@H]3[SiH2][Si]123"]
["78544114","CP(O)(O)(O)O"]
["91318723","CC=[S+]C"]
["79921053","[79P]"]
["100875796","[SiH2]1[Si@@H]2[Si@@H]3[SiH2][Si@]123"]
["91415783","[CH+]=C=[As-]"]
["78202956","[120Ni]"]
["79107203","BCF"]
["168625408","[As]B=[As-]"]
["43949673","[17O]=P[17OH]"]
["78708972","BC[SiH3].[GeH4]"]
["24825895","BCN"]
["47810820","[62Co]"]
["43323368","[As-]1[I][As-][I][As-][I]1"]
["25807423","BCC"]
["79263190","BC[SiH3]"]
["97528480","CC(C)(C)C(C)(C)C"]
["26150470","BCB"]
["76927134","[Pb+2].[Pb+2]"]
["164782872","[Mo].[O].[Pb+2]"]
["158042073","[Li+].[Pb+2].[S-2]"]
["33290527","[O-][Cl+3]([O-])([O-])[O-].[Pb+2]"]
["166672457","[Pb+2].[SH2-2]"]
["79698546","[Pb+2].[SH-].[SH-]"]
["185452298","[Bi+3].[Pb+2]"]
["172713098","N.[Pb+2]"]
["79958842","B#N.[O-2].[Pb+2]"]
["79421547","[ClH2+].[Na-]"]
["176302346","[NH4+].[Pb+2].[Zr+4]"]
["58661020","[F-].[OH-].[Pb+2]"]
["1102740","[151Eu]"]
["193900074","C=[B-]C.[Li+]"]
["69633389","[B]=[B-]=C.[V]"]
["171914887","[3H][C-]=S.[W]"]
["54853472","[3H][C-]=S.[Y]"]
["48603819","C[NH+](C)C([NH+](C)C)[NH+](C)C"]
["101150513","[F+][PH2]1[BH2-][PH2]([F+])[BH2-]1"]
["61265512","C=[B-]P.[B].[U]"]
["70213343","C=[B-]P.[Ni]"]
["193446543","O=CCl.O=CCl"]
["192446180","C=[B-]C.[Na+]"]
["65791058","C=[B-]C.[CH3-].[V+2]"]
["175671519","[109Te]"]
["43944966","[3H]C([3H])=C([3H])[3H]"]
["175671647","[122In]"]
["79283697","N[O].[Al]"]
["97477844","CC(C)(C)[18OH]"]
["79055426","N[O].N[O].O"]
["175671348","[88Ru]"]
["55932192","[GeH3]N([GeH3])[GeH3]"]
["1097517","N[O]"]
["78054730","CN(C)[GeH3]"]
["60669770","[3H]C([3H])=C"]
["79104591","N=O.N[O]"]
["65433470","[Ar].[Kr].[Xe]"]
["59920921","[83Kr]"]
["34396547","[117Sb]"]
["91678686","[Se]1P2[Se][As]3P1[As]3[Se]2"]
["200455749","[Kr].[Kr]"]
["27308813","[C-]#N.[Tl+]"]
["79667273","[60He]"]
["55539690","[Ar].[Kr]"]
["47279348","[Kr]"]
["48616984","[Ar].[Ar]"]
["79426264","[I].[Xe]"]
["160887570","[Ar].[He].[Kr]"]
["78968180","[F].[F]"]
["91695018","CCl.[F]"]
["154914966","[F].[Li+].[Mg+2]"]
["79750948","O[Si](O)(O)O.[F]"]
["79193457","[F].[Ne]"]
["79327403","F[SiH3].[F].[SiH4]"]
["78957472","C[Si].[F]"]
["78986323","[B].[F]"]
["1104995","[F]"]
["79639095","[F].[V]"]
["79092703","F.O.[F]"]
["148966762","[F].[Hf]"]
["167539318","[79SH2]"]
["189838818","O[Si-](O)O"]
["25056531","[2H]C([2H])([2H])Br"]
["46751748","C[Si-](C)C.C[Si-](C)C.[Mg+2]"]
["172018167","C[Si-](C)C.[Li-].[OH-]"]
["171912630","C[Si-](C)C.C[Si-](C)C.[Li+]"]
["78323754","[132Cd].[Pb]"]
["25205317","C1C23CC12C3"]
["185797983","C[Si-](C)C.[C-]#C.[Mg+2]"]
["91260342","C1C23SC12S3"]
["99549025","C[Si-](C)C.N.[Na+]"]
["167393848","C[Si-](C)C.[I-].[Mg+2]"]
["175671909","[148Ho]"]
["24136890","Br[Te]Br"]
["170466934","I[Te+](I)I"]
["175672352","[199At]"]
["167527067","NN(N)[O-]"]
["59099755","[2H]P([2H])([2H])([2H])[2H]"]
["58261520","CN(C)[O-]"]
["33319672","[48V]"]
["79218212","N=[N+][O-]"]
["33130364","[37Cl][37Cl]"]
["60806591","[2H][P-][2H].[K+]"]
["101117816","C1#C[GeH2]1"]
["1102915","[PH2]"]
["145255532","C=S(C)(C)(C)P"]
["174248639","CS(C)(C)(O)=S"]
["150395389","CS(C)(C)(N)=O"]
["174922022","CS(C)(C)(C)=O.O"]
["32206247","CS(C)(C)(=O)Br"]
["79336015","CS(C)(O)(O)=S"]
["172119257","[2H][PH].[Eu]"]
["52803425","C=S(C)(C)(C)C"]
["161753103","C12C3C1[Ge]1C2C31"]
["79115830","O=P(=O)[OH2+].[La-]"]
["25904516","CS(C)(C)(C)=O"]
["32911574","[57Mn]"]
["79736611","I[CH]I.[Zn]"]
["25977126","I[CH]I"]
["79404369","ClP(Cl)(Cl)(Cl)Br"]
["91180145","I[CH]I.[Al]"]
["91113933","I[CH]I.[Bi]"]
["78251262","ClP(Cl)(Cl)(Br)Br"]
["24165609","[B+]=[B+].[Hf-2]"]
["79257196","BrOBr.BrP(Br)(Br)(Br)Br.[P]"]
["57863979","I[CH]I.[Al+2]"]
["172729845","Br.BrP(Br)(Br)(Br)Br"]
["22986324","BrP(Br)(Br)(Br)Br"]
["32143177","[148Tb]"]
["189885802","[CH][O+]([CH+])[CH-]"]
["27308168","[85Sr+2]"]
["96610680","C[Te](C)=N"]
["170683808","[Cl+]1C2[Cl+]C12"]
["91255034","C1=C[Cl+]1"]
["46566403","C1C[Cl+]1"]
["91232086","CC1(C)[Cl+]C1(C)C"]
["27302555","[85Sr+2].[Cl-].[Cl-]"]
["175672259","[183Tl]"]
["170683806","C1[Cl+]C[Cl+]1"]
["170683812","[Cl+]1C23[Cl+]C12[Cl+]3"]
["32221322","[239Pu]"]
["175672001","[157Nd]"]
["185077180","NN(N)[SiH](N)N"]
["191348984","CCl.C[NH+](C)C"]
["1098806","C[NH+](C)C"]
["79113733","C[NH+](C)C.C[NH+](C)C.[O-2]"]
["79359361","C[NH+](C)C.[H+].[O-2]"]
["79070529","[O][SeH2]([O])=O"]
["192943704","C[NH+](C)C.[Fe+3]"]
["97301358","C=C[37Cl]"]
["193472521","C[NH+](C)C.[Li+]"]
["193295588","C[NH+](C)C.[Al+3]"]
["175672004","[157Tm]"]
["181796827","N[SiH2][SiH](N)N"]
["97726402","C1C2C[SiH]12"]
["189037395","Cl[SH](Cl)Cl"]
["98458261","C[SiH+]C"]
["96730144","[C-]=C/C=C/C=[C-]"]
["26973389","[C+]=CC=[C-]"]
["48472377","O=P(=O)P"]
["167235806","[C+]=CC=[C-].[Fe+].[Fe+]"]
["1098131","[O][Br+3]([O-])([O-])[O-]"]
["175672290","[188Bi]"]
["78381990","COI(C)C"]
["175671256","[77Sr]"]
["169732491","SS(S)(S)#S(S)(S)S"]
["79286409","S=S(=S)(S)S"]
["171345036","OB(O)C#CB(O)O"]
["163608721","SS(I)(I)#I"]
["79635409","[104Ir]"]
["91380955","O=[Se](F)[Se]"]
["160056592","N.N.S=S(=S)(S)S"]
["177992277","SS(S)(S)S"]
["56915580","O=[Se](F)F"]
["96920138","C=[Se](F)F"]
["79123363","NS(=S)(=S)S"]
["175671865","[144Xe]"]
["26694420","[CH]=NN"]
["52787851","[K+].[S-][SH+][S-]"]
["78161707","C[O+2]P.[Cl-].[Cl-]"]
["23097745","S1[As]2S[As]3S[As]1S[As](S2)S3"]
["91025563","Cl[Si]=[Cl+]"]
["176075011","[Na+].[O-][SH+][S-]"]
["79834569","[Cl+]=[Si]=[Cl+].[F-].[F-]"]
["173066214","[O-][SH+][S-]"]
["110885852","C=[Ge]C"]
["193557397","[2H][S+]([O-])[S-]"]
["173125804","[B]NON[B]"]
["101277742","[SiH]12[SiH]3[SiH]1[SiH]23"]
["179926146","[SiH]12[SiH]3[SiH]1[SiH]1[SiH]2[SiH]31"]
["101723907","[SiH2]1[SiH]2[SiH2][SiH]1[SiH2]2"]
["79324032","CC(C)(C)[Si]12[SiH]3[SiH]4[SiH]5[SiH]3[SiH]1[SiH]5[SiH]42"]
["79706047","[60CH]"]
["78553445","B12[SiH]3[SiH]4[SiH]1[SiH]1[SiH]4[SiH]4[SiH]5[SiH]3[SiH]2[SiH]5[SiH]14"]
["103046931","[SiH2]1[SiH]2[SiH2][SiH]3[SiH2][SiH]1[SiH2][SiH]([SiH2]2)[SiH2]3"]
["175671127","[59Ti]"]
["79035660","B12[SiH]3[SiH]1[SiH]1[SiH]2[SiH]31"]
["79230070","B12[SiH]3[SiH]4[SiH]1[SiH]1[SiH]2[SiH]3[SiH]41"]
["96712307","[SiH2]1[SiH]2[SiH2][SiH]3[SiH]1[SiH]3[SiH2]2"]
["78309454","[150Pd]"]
["78558631","[145Xe]"]
["84190886","C[O-].[Al+].[O]"]
["60647625","[71Zn]"]
["45604609","[Al+].[I-]"]
["79168403","[Al+].[H-]"]
["180359242","[Al+].[H].[NH2-]"]
["100854556","C1=C[SH+]1"]
["79314346","[Al+].[Cl-].[O]"]
["78262742","Cl.[Al+].[Br-]"]
["79131089","C.[Al+].[Cl-]"]
["193800859","[Al+].[Ca+2].[Cl-]"]
["27202687","[Al+].[Al-2]"]
["27305836","[61Cu]"]
["191140446","O=[Se].[Bi]"]
["33551162","O=[Se]"]
["194331396","O=[Se].[Fe+2].[O-2]"]
["78599172","O=[Se].[Cd]"]
["161220065","F.O=[Se]"]
["46349026","C[Cl+]C"]
["175947242","O=[Se].[Bi].[Cu]"]
["174926499","O=[Se].[SeH2]"]
["161796459","C[P+](C)=O.O"]
["79721753","O=[Se].[Na+]"]
["91208331","O=[Se].[Li+].[Mn]"]
["175672129","[168Ho]"]
["25124195","[CH]1CC1"]
["175670924","[23Si]"]
["91534175","C=P(=C)N"]
["63353150","[CH]1CC1.[CH]1CC1.[Hg]"]
["100856288","O[CH+]O"]
["99266160","[Bi+2].[CH]1CC1"]
["24965317","[CH]1CCC1"]
["51055617","O=S(O)(O)(O)O"]
["79639818","[CH]1CC1.[CH]1CC1.[Cu]"]
["163563810","[15N]#[13C][34SH]"]
["78969333","[CH2]P(=C)=C"]
["67869541","[99Rh]"]
["191527794","C=S.[2H]C"]
["192738520","C.CC.[2H]C"]
["99027588","II.[2H]C"]
["181980167","O[SiH2]N[SiH2]O"]
["193712879","C1CCC1.[2H]C"]
["66723452","[2H][13CH3]"]
["185422748","[O+]P[SiH3]"]
["99106953","CP.[2H]C"]
["190640614","[2H]C.[3H]C"]
["79874791","C.[2H]C"]
["98786122","CC.CC.[2H]C"]
["175671066","[48K+]"]
["194026507","[BH3-]B(I)I"]
["79001200","Br[P](Br)(Br)Br"]
["97329842","[SiH3][Si]=[SiH3-]"]
["190553185","[BH3-][B]N"]
["79149710","[150Fe]"]
["91640809","BrP(Br)(Br)=P(Br)(Br)Br"]
["26708779","N#CP"]
["190273013","[BH3-]B([BH3-])[BH3-]"]
["163414654","[18O]=P([18OH])([18OH])[18O]P(=[18O])([18OH])[18OH]"]
["175671499","[107Te]"]
["175671624","[120In]"]
["100959474","[SiH3]C([SiH3])=[N+]=[P-]"]
["645412","C[N+](C)(C)O"]
["171968953","[B]S(=[B])(=[B])I"]
["101162784","C[Se](C)(C)(C)(C)C"]
["78225497","O=[N+]=[P-]"]
["78224867","[P-]=[N+]=S"]
["33003853","[142Pm]"]
["175671358","[90Ru]"]
["1096757","O=[SH][O-]"]
["97563078","[2H]C([2H])=S"]
["78366103","[130Cr]"]
["192767674","F[P-](F)(F)(F)(F)F.[Ag].[H+]"]
["78171395","[Br-].[C+]#[C-].[Mg+]"]
["175978900","C=C.F[P-](F)(F)(F)(F)F.[K+]"]
["161654722","C[As](C)(C)(Br)Br"]
["174778144","F[P-](F)(F)(F)(F)F.[H+].[Tl]"]
["191181144","F[P-](F)(F)(F)(F)F.[Fe]"]
["46083732","[Al].[Al].[C+]#[C-]"]
["168738645","C.F[P-](F)(F)(F)(F)F"]
["174883735","F[P-](F)(F)(F)(F)F.[Ru]"]
["175303447","F[P-](F)(F)(F)(F)F.N.[Ni]"]
["1097837","[C+]#[C-]"]
["79354945","[110Ni]"]
["101176127","[CH+]=C=P"]
["175671241","[76Co]"]
["91285887","Br[Si]1(Br)S[Si](Br)(Br)S1"]
["79452290","[C-]#[Se+]"]
["79935499","[C-]#[Se+].[C]"]
["1101101","[S][S+]=[S+]"]
["187501964","[As+5]"]
["160325112","[As+3].[As+5]"]
["175672468","[221At]"]
["100849196","[BH2-]1[BH-]2[BH2-][BH-]1CC2"]
["91633983","C1[Si]=[Si+]1"]
["183756419","CC12[SiH2]C1(C)[SiH2]2"]
["175010247","ClC(Cl)(Cl)[SeH]"]
["61104423","[17O]=P(Cl)(Cl)Cl"]
["100849642","C[SiH2+]"]
["174827101","CO[SeH]"]
["67177432","[Te]=[As](=[Te])[Te][As](=[Te])=[Te]"]
["54628578","[17O]=P([17OH])([17OH])[17OH]"]
["172679643","POOS"]
["175672458","[217Pa]"]
["189810994","[38PH]"]
["175671566","[115Tc]"]
["47747899","O=S(=O)=S.[Mo]"]
["23111631","[C-4].[Zr+4]"]
["24769511","[C-4].[Co].[W+4]"]
["24597312","[C-4].[Ti+4]"]
["23817278","[C-4].[Hf+4]"]
["174388088","O=S(=O)=S.P"]
["24795705","[C-4].[W+4]"]
["25861309","CN(Cl)Cl"]
["83494163","[Be+2].[Be+2].[C-4]"]
["63238746","[Ir+3].[Os+2]"]
["196017062","[Ir+3].[Rh+3]"]
["79272732","[O-]Br.[Zr]"]
["79404664","[100Mn]"]
["67150910","[Os+2].[Pt+2].[Ru+2]"]
["46741787","[Ir+3].[Ni+2]"]
["1105693","[Os+2]"]
["192419961","[Ir+3].[Na+]"]
["61899733","[Ir+3].[Ru+2]"]
["78216656","[Mn+2].[O-]Br.[O-]Br"]
["194013194","[Ir+3].[O-2].[Sr+2]"]
["65666476","[Ir+3].[Pt+2]"]
["177821799","[71CH4]"]
["101029851","C[As+]N"]
["91178498","B1=NB=N1"]
["83227636","[75GeH4]"]
["51485217","[3H]SF"]
["25087139","[16N]"]
["97128777","C1[GeH]2C[GeH]12"]
["79046305","FC(F)(F)[PH]"]
["45874465","F[14CH](F)F"]
["175671923","[150La]"]
["173547340","[NH-][S+]([O-])I"]
["91046061","P1=PP1P1P=P1"]
["97694362","[C-]=C([CH2+])[CH2+]"]
["79085695","[O-][OH+]S"]
["182415260","I[Se](I)I"]
["172085473","[B+]=[B-](C)Br"]
["58688618","F[SiH](F)[SiH](F)F"]
["58547701","C[OH+]S"]
["79777600","o1[pH][pH]1"]
["65007302","[NH3+]OP[O+]"]
["27044945","OC(O)(O)C(O)(O)O"]
["175670901","[20N]"]
["79479307","O=[Ge]=O.[Si]"]
["191714351","CC(C)(C)[N].CC(C)(C)[N].[Ta]"]
["101592851","O=[Ge]=S"]
["193939987","O=[Ge]=O.O=[Si]=O"]
["79279025","Br.C[Ge]C"]
["45542858","CC(C)(C)[N].CC(C)(C)[N].[Mo]"]
["78272930","C[Ge]C.[H-]"]
["159174327","S=[Ge]=[Se].[Ge]"]
["160249840","O=[Ge]=O.[Nb]"]
["78242779","Cl[B-](Cl)(Cl)Cl.Cl[B-](Cl)(Cl)Cl.[Mg+2]"]
["192778845","N.O=[Ge]=O"]
["27306581","[125I]"]
["97143035","[CH2+][C]([SiH3])[SiH3]"]
["42600513","[182Re]"]
["91211482","[Si-]#[As]"]
["79175303","[132O]"]
["185408258","[NH-]N1CC1"]
["79065311","[2H]C[9BH2]"]
["91211483","[Na+].[Si-]#[As]"]
["175672443","[214Ac]"]
["91211481","[Li+].[Si-]#[As]"]
["145282079","IN1BN(I)BN(I)B1"]
["174820492","[100Nb]"]
["34540572","C[Ge]1(C)[Ge](C)(C)[Ge](C)(C)[Ge]1(C)C"]
["25606012","[CH-]=[O+]O"]
["59277383","[2H]C[12B]"]
["97568261","[C]=[O+]O"]
["79898820","O=[O+]O"]
["79504286","C[N+](C)(C)[Cl+]"]
["190330331","[O-][Cl+3]([O-])([O-])[18OH]"]
["64626556","[B+]=P[O-]"]
["18432234","F[B]F.[B]"]
["96552030","C[Ge]1(C)[Ge](C)(C)[Ge](C)(C)[Ge](C)(C)[Ge](C)(C)[Ge]1(C)C"]
["51883430","[CH-]=[O+]O.[W]"]
["175672016","[158Yb]"]
["79605939","CBr.OB(O)O"]
["182134580","C[GeH2]C.[GeH3]"]
["193007405","Br.Br.CBr"]
["79075002","F[SiH2][GeH2]F"]
["24024932","C[GeH2]C"]
["79744019","C[GeH2]Cl"]
["79707534","O=[Se](=O)=O.[Na+].[Na+]"]
["159021469","CBr.NN"]
["157794746","CBr.[Cr]"]
["185641750","Cl[GeH2]Cl.[GeH3]"]
["61591986","N[C-]1CC1.[Ac]"]
["79274325","[67B]"]
["100732307","BN1CC1"]
["78171559","[157U]"]
["78092062","F[PH2](F)F"]
["174616105","[SeH]N1CC1"]
["101782757","[126Pb]"]
["100911025","N1C2=[Si]=C12"]
["42784841","[O]N1CC1"]
["48144036","[B+]S[PH-]"]
["101304041","F[PH2](F)Cl"]
["78979647","[S]N1CC1"]
["97506190","NC1=[Si]=C1N"]
["79239947","[N-3].[Pu+3]"]
["79136352","[Co].[Fe+3].[N-3]"]
["33876653","[Pb+4].[S-2].[S-2]"]
["175671153","[63Mn]"]
["79160996","[Mo+6].[N-3].[N-3]"]
["79144066","[F-].[N-3].[Ti+4]"]
["22650827","[O-2].[Pb+4]"]
["79944447","[N-3].[Ni+3]"]
["1098248","[N-3]"]
["79313712","[Al+3].[N-3].[Ti]"]
["79594914","[Cl-].[N-3].[Ti+4]"]
["78212268","[160As]"]
["175672205","[176Tm]"]
["52248368","F[SiH2][SiH3]"]
["34520360","[211Bi]"]
["78959540","[N-]=[Cl+]=O"]
["79074434","[2Ar]"]
["78532613","[2H]S([O])=O.[CH2].[Cf]"]
["14640563","C[Si]=S"]
["78588630","[102Pt]"]
["51629429","CS1=C=S1C"]
["97174274","[N+]1NN1"]
["32659717","[127Sb]"]
["79310766","C[O-].[Br-].[Mg+3]"]
["100424896","[100SH2]"]
["79774968","[Cl-].[Mg+3].[O-]"]
["175672000","[157Pr]"]
["79385432","[Br-].[Mg+3].[OH-]"]
["172578781","[CH2+]C(O)=[Si-]O"]
["79311017","C[O-].[Cl-].[Mg+3]"]
["23098166","[64Zn]"]
["32989657","[64Zn].[CH2]C.[CH2]C"]
["79324475","C1C[GeH]C1"]
["704429","[Mg+3].[OH-]"]
["78212918","[160U]"]
["60579295","[161Er]"]
["44032021","O=[34S](=O)(O)O"]
["68473436","[244Cf]"]
["69574840","S[B]I"]
["79585999","[129Pb]"]
["161686607","[2H]C(Br)(Br)C([2H])(Br)Br"]
["145679217","[217Au]"]
["78933594","[B+]=[SH][O-]"]
["91114816","S=[Si]S"]
["175842828","FC[Se]"]
["23653322","Br[13C](Br)(Br)Br"]
["78559129","[B+]=[SH][NH-]"]
["67554568","C=[Ge](C)C"]
["1102334","BrC(Br)(Br)Br"]
["79196943","BOOB"]
["189873880","[2H]S(=[CH+])[O-]"]
["189836215","[2H]S(=O)[O-]"]
["79376633","BrC(Br)(Br)Br.BrC(Br)(Br)Br"]
["78196175","[127Fe]"]
["172745062","[Ni+2].[O-]P(=S)=S"]
["48596533","OC(O)(O)O.[Fe].[Fe]"]
["161803947","[Mo].[OH2+]P(=S)=S"]
["174290157","[Ni].[OH2+]P(=S)=S"]
["96877749","[B+]OC"]
["78489948","S=P(=S)I"]
["43531883","S=P(=S)[SH2+]"]
["193026179","[Mo+4].[O-]P(=S)=S.[O-]P(=S)=S"]
["50296430","NP(=S)=S"]
["175501861","S=P(=S)[S-].[Mo]"]
["190535371","C.[OH2+]P(=S)=S"]
["175671659","[123La]"]
["62417425","[180Hf]"]
["51640583","O=S(=O)=S(=O)=S(=O)=O"]
["78190496","[Br+].[O-]O"]
["79226491","[Br+].[F-]"]
["78979414","[Br+].[OH-]"]
["96567658","[C]1[B-]2=C=[B-]12"]
["79823474","[Br+].[O-]Cl"]
["145644325","[3H]C([3H])=S=P"]
["50102916","[125Cs]"]
["79021351","I[I-]I.[Br+]"]
["1100612","[Br+]"]
["175670911","[22C]"]
["79317113","[BH2+].[O].[Zn-]"]
["187549000","O=S(=O)(I)I.[CH3-].[Na+]"]
["52120504","F[PH-](F)(F)(F)F.[Na+]"]
["27305662","[198Au]"]
["78140404","[B+]=O.[O].[Zn-]"]
["78241241","O=P(=O)[OH2+].[Na+].[Zn-]"]
["78115959","C[PH-](C)(C)(C)[O+]"]
["78289172","O=P(=O)[OH2+].[K+].[Zn-]"]
["79382144","[GeH3]P([GeH3])[GeH3]"]
["55800975","[74Kr]"]
["79009782","[BH2+].[Zn-]"]
["63882414","[Pm].[Sc+3]"]
["191496379","[O-2].[Sc+3].[Zn+2]"]
["185412414","[Pm].[Tm]"]
["54084022","[Nd+3].[Pm]"]
["103041835","S.[Pm]"]
["161756510","[Pm].[Pm]"]
["91680273","[Ag].[Ag].[Pm]"]
["52679073","[CH3-].[CH3-].[Sc+3]"]
["175671693","[127In]"]
["65743259","[Gd+3].[Sc+3]"]
["60415250","[Na+].[Sc+3].[Tl+]"]
["56495389","[Sc+3].[Ta+2]"]
["175670957","[30Mg+2]"]
["101033106","C[AsH2+]C"]
["78383381","[3H]BB[3H]"]
["67401910","N[I-]O"]
["78218213","[SeH]I=[Te]"]
["79862461","N#SS"]
["59503292","[Te]=II"]
["79076074","[3H]BB"]
["97141245","[GeH3]C([GeH3])[GeH3]"]
["101040893","[2H]C#I"]
["64374892","Cl[Si](Cl)(Cl)Br"]
["79213819","[2H]S([2H])([2H])[2H]"]
["175671546","[113Ru]"]
["79479762","Br[As]Br"]
["66200253","[B]C#[C-]"]
["65241342","[B]/C=C\\[B]"]
["61189465","[CH-]=CCl.[Zn]"]
["33801541","[64Ga]"]
["62391940","F[Te]1(F)(F)(F)O[Te](F)(F)(F)(F)O1"]
["167394267","[CH-]=CCl.[Li+]"]
["174079359","[B]/C=C/[B]"]
["79872588","[177Nb]"]
["167330163","[Br-].[CH-]=CCl.[Zn+2]"]
["175672361","[201Pt]"]
["42330003","[161Dy]"]
["172537094","O[C](O)O.P.[Sb]"]
["26493060","O[C](O)O"]
["184838592","[O]P[S].[V]"]
["46176339","[AsH].[GeH3].[GeH3]"]
["170919597","[AsH].[Zn]"]
["79565550","[O]P[S]"]
["33277656","[N][N+]#[As]"]
["54661315","C[B][PH-]"]
["79132458","ClS(Cl)(Cl)(Cl)(Cl)Cl"]
["183654597","O[C](O)O.[CH3].[Sn]"]
["173386949","F.F.[AsH]"]
["175670877","[12Be]"]
["175887448","O[SiH2]O.[Sn]"]
["191220890","O[SiH2]O.O[SiH2]O"]
["174946021","N[SiH2]N.O"]
["172750290","Cl.Cl.Cl[SiH2]Cl"]
["194281042","Cl[SiH2]Cl.O"]
["180802067","[NH-]O[SiH2][NH-]"]
["173965426","[SiH3][SiH2][SiH3].[SiH3][SiH3]"]
["27304994","[SiH3][SiH2][SiH2][SiH3]"]
["79602610","[O][SiH2]I"]
["97585584","[2H][13C](Cl)(Cl)Cl"]
["175728667","[Ge].[SiH3][SiH2][SiH3]"]
["34023376","[Np+5]"]
["651149","S1SSSSSSS1"]
["185959509","S1SSS1.S1SSS1.S=S"]
["78984976","OBO.OBO"]
["78960502","[3H][Si][3H]"]
["171092733","O.S1SSSSSSSSS1"]
["79833025","[SH3]CBr"]
["191721460","O=[15CH]O"]
["1103849","S1SSS1"]
["149101777","N[1SiH3]"]
["161618225","S1SSSSS1.[Zn]"]
["171350189","O.O.S1SSSSSSSSS1"]
["63999465","[176Ta]"]
["79288023","[BH3-][S+]"]
["154298104","[O+]#[Cl+](O)(O)O"]
["44780109","CC(C)(C)[SiH]"]
["49303145","[Si].[Si][O+]=[Si-]"]
["99239732","C.C.[Si][O+]=[Si-]"]
["78404233","BI=O"]
["55535473","N[B]I"]
["175093488","Cl[P+](Cl)(Cl)O[P+](Cl)(Cl)Cl"]
["49551452","N[Si](N)=O"]
["79451709","[192Th]"]
["32251670","[Si][O+]=[Si-]"]
["175672295","[189Bi]"]
["52828197","BrP(Br)P(Br)Br"]
["79896126","B[As](C)C"]
["78683313","[Fr+].[SH-]"]
["79599495","C[CH+]N[O-]"]
["96775682","C[F+]C"]
["79554230","[F-].[Fr+]"]
["167236621","[PH-]CC[PH-]"]
["78979506","[Fr+].[Fr+].[S-2]"]
["79375006","[Fr+].[I-]"]
["79138117","O[P](O)(O)O"]
["79795225","O=N[O-].[Fr+]"]
["175670883","[14B]"]
["175671001","[37Al]"]
["69960602","C1=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=1"]
["48871202","I[P-]P(I)I"]
["79956338","C[N+]([O-])([O-])[O-]"]
["25081126","C1=C=C=C=C=1"]
["79494840","[119Mo]"]
["26359189","C1=C=C=1"]
["83547339","[O][As-][O-]"]
["61050869","IB=[B-]I"]
["175671712","[129Sn]"]
["149942252","C1=C=C=C=C=C=C=1"]
["175671131","[59Cu]"]
["56265705","C[NH2+]C.[Na+]"]
["181146979","O[NH2+]O.[Cl-]"]
["79000619","O=[PH2]Cl.[N]"]
["179626017","P[NH2+]P"]
["193113735","C[NH2+]C.[Na+].[Na+]"]
["65225813","C[NH2+]C.[H+]"]
["190875535","C[NH2+]C.[Zr+4]"]
["101137671","[BH3-][NH2+]N"]
["32025324","C[NH2+][NH2+]C"]
["196017623","C[NH2+]C.P"]
["56213586","C[NH2+]C.[B]"]
["52629206","[Tl]"]
["79668218","[Cd].[Tl]"]
["54174086","[SH-].[Tl+].[Tl]"]
["177022830","[N].[Tl]"]
["44436813","O=P([O-])([O-])[O-].[Tl]"]
["79198480","[Br].[Tl]"]
["147695949","[H].[Mg+2].[Tl]"]
["65772479","[Gd].[Gd].[Tl]"]
["173102035","[O].[Sn].[Tl]"]
["78198140","OB(O)O.[Tl].[Tl]"]
["174843042","[Cd].[S].[Tl]"]
["91002709","[Er].[Tl]"]
["79377148","[137Si]"]
["188197710","BC(B)=C1C(=C(B)B)C1=C(B)B"]
["33361154","[104Pd]"]
["42744654","I/C=C\\I"]
["33204214","I/C=C/I"]
["24860481","IC=CI"]
["43766464","[180Ta]"]
["101725921","O=P(=O)[OH2+].[Cr+2]"]
["65247363","O=P(=O)[O-].O=P(=O)[O-].[Na+]"]
["59620668","O=P(=O)[O-].[Mn+2]"]
["175573215","O=P(=O)[OH2+].[Cu].[Cu]"]
["173385345","O=P(=O)[OH2+].[Mo].[W]"]
["158363155","O=P(=O)[OH2+].[Gd]"]
["79900467","O=P(=O)[OH2+].[Tb-]"]
["53785912","O=P(=O)[OH2+].[CH3-].[W]"]
["175290596","O=P(=O)[OH2+].SS"]
["159914523","O=P(=O)[O-].O=P(=O)[O-].[Mn]"]
["192666167","O=P(=O)[OH2+].[Rh]"]
["65126031","[198Pb]"]
["83061000","C1=[Ge]=N1"]
["83235093","[198Pb].[H].[H]"]
["175672502","[228U]"]
["175672520","[231Np]"]
["78495820","[2H]P[S]"]
["1105203","[38S]"]
["168154285","[CH+]"]
["79098385","C[Si](C)(C)[AsH2]"]
["101726320","NI.[Ru+3]"]
["79035997","I.NI"]
["66297697","NI"]
["96734110","[N]=BF"]
["79434445","CO.I.NI"]
["174914903","NI.O.O"]
["175360199","NI.[Cu]"]
["175881129","NI.[Ag]"]
["27039854","[O]C[SiH3]"]
["175671154","[63Fe]"]
["177188030","[B]=[IH]"]
["171913352","[2H]I=[B]"]
["91506061","[CH+]=C[Si]"]
["180802122","[NH-]O[SiH3]"]
["78142490","P#[Si]O[Si]#P"]
["96633542","C[37Cl]"]
["78129737","[154Se]"]
["55662134","[Si]#[N+][PH-]"]
["79506954","[N+4].[O-2].[O-2]"]
["91252995","N[As]I"]
["91659433","O[Si]1(O)C[Si](O)(O)C1"]
["79333669","I[As]I"]
["79214315","[5S]"]
["161871044","C[As]I"]
["79288487","[O-][N+]#[Si]"]
["44634682","[Si]#[N+][P-]P"]
["83057780","Br[As]I"]
["79265208","[121Ni]"]
["184104298","CC1=C(C)[GeH2]1"]
["53145927","c1cc2ccc1cc2"]
["175671169","[65Co]"]
["79708940","CN(C)[F+]"]
["79100837","FN(F)[F+]"]
["97393005","Cl[As](Cl)C[As](Cl)Cl"]
["97557937","[P][CH+][PH]"]
["192550022","CC1=C(C)[GeH2]1.[Cl-].[Cl-]"]
["1102608","[O][I+][O-]"]
["181598483","ONN(NO)NO"]
["79633676","[248U]"]
["79485174","O.[Cl-].[Yb+]"]
["79890334","[43C-]=[F+]"]
["79421429","CC(C)(C)[P-].[Li+].[Li+]"]
["75966311","O=S123SC(S1)(S2)S3"]
["79421216","CC(C)(C)[P-].[K+].[K+]"]
["168482060","NC(N)[As]"]
["99235552","CC(C)(C)[P-]"]
["173568334","S=[P+]=S.[H-].[Li+]"]
["26910141","C1NN1"]
["79064840","[Br-].[Yb+]"]
["159577770","C1NN1.C1NN1"]
["79957285","[10He]"]
["91200665","C[Si]#[Si+].[Si]"]
["175715622","[Al].[B]1C=C1"]
["78529559","[2H][SH](=S)=S"]
["97471923","P=C1CC1=P"]
["172097876","[3H]OP(O[3H])O[3H]"]
["78447542","[2H][SH](=N)=S"]
["51608582","N1N[Si]1"]
["175671634","[121Cd]"]
["91110088","[Si][Si]#[Si+]"]
["46177649","[NH-][Si]#[Si+]"]
["56137411","[B]1C=C1"]
["1105402","[Kr+]"]
["121010360","[15NH3].[18O]=[N+]([18O-])[18OH]"]
["175671927","[150Dy]"]
["66819889","OI=S"]
["79880818","[BH2+].[Mn].[Ti-]"]
["53709901","NI=S"]
["172800130","C[22C](=O)O"]
["91388259","[As]#CC#[As]"]
["91011609","[B]1CS1"]
["163959991","[18O]=[15N+]([18O-])[18OH].[K+]"]
["79925103","C1=[N+]=C=[N+]=C=[N+]=1"]
["175671220","[73Br]"]
["78166945","[33Mn]"]
["79215861","Cl[N-]Cl.[Pd+]"]
["147856907","Cl[N-]Cl"]
["170516508","[Se-]CCC[Se-]"]
["161791042","[K+].[K+].[Se-]CCC[Se-]"]
["161716352","[Na+].[Na+].[Se-]CCC[Se-]"]
["91178652","O1POP1"]
["181672882","Cl[N-]Cl.[NH2-].[Zn+2]"]
["181784536","Cl[N-]Cl.[NH2-].[Pt+2]"]
["59090085","B#I(S)I"]
["91399294","C1=C[Si]=1"]
["173122275","Cl[N-]Cl.[Pd]"]
["175671671","[124Pr]"]
["171963034","[P-]I"]
["55405958","O=[Te](=O)(O)Cl"]
["173419181","O=[Te](=O)(O)I"]
["68874208","C[Te](C)(=O)=O"]
["173419118","O=[Te](=O)(O)Br"]
["176696337","O=[Te](=O)(Cl)Cl.[Bi]"]
["96948416","NC=[Si]([SiH3])[SiH3]"]
["175942967","O=[Te](=O)(Br)Br"]
["59872337","[50Cr]"]
["79085859","[SiH3]OP(O[SiH3])O[SiH3]"]
["1099242","[196Po]"]
["79940605","[128Ni]"]
["79634224","[35Fe]"]
["191126251","CN(C)[TeH]"]
["97686894","[S-][Ge@]12S[Ge@]3([S-])S[Ge@]([S-])(S1)S[Ge@]([S-])(S2)S3"]
["96509241","[14C]N"]
["78063162","[Eu].[Tb]"]
["78360454","[S].[Tb]"]
["160435395","[Ce].[Eu].[Sb]"]
["174781948","[Fe].[O].[Tb]"]
["42540551","[Sb].[Tb]"]
["54210631","[C-]#N.[Eu]"]
["90999718","[Ru].[Ru].[Tb]"]
["42141363","[CH3-].[Eu]"]
["67741115","[Cd].[Cd].[Eu]"]
["169916276","O.[Gd].[Tb]"]
["79900486","[Eu].[F-].[Li+]"]
["174945705","[Cr].[Eu].[O]"]
["163563383","[160Dy]"]
["185858382","NCC[15NH2]"]
["78581388","[C]CN"]
["190420369","NCN.[Cl-]"]
["174975505","C.FCCF"]
["25566701","NCCl"]
["172834355","F.FCCF"]
["173422227","NCN.NO"]
["48125539","CC=[N+](C)C"]
["194112875","C.C.NCN"]
["97038437","[C+]CN"]
["79204408","NCN.NCN"]
["79038417","[44Si]"]
["78152698","F.[Cl+].[F-]"]
["145152311","[Co].[Se-]"]
["79084198","[Cl+].[O-][Cl+3]([O-])([O-])[O-]"]
["177188042","ClP(Cl)(Cl)(Cl)[ClH+]"]
["170996962","[Se-].[Se-].[W+2]"]
["145152314","[Sb].[Se-]"]
["79476464","BrC(Br)C(Br)C(Br)Br"]
["82291508","ClC[Ge]"]
["175309759","BrP1(Br)(Br)CC1"]
["172044603","[N-]=[P+]=N.[V]"]
["79476506","BrC(Br)C(Br)C(Br)C(Br)Br"]
["175672677","[265Bh]"]
["161760758","C1=C[As]1"]
["101711478","FC(F)(F)[SeH].[Cu+]"]
["175010666","FC(F)(F)[SeH].[Ag]"]
["167125779","O=[SH]C[SH]=O"]
["61870086","CC(C)(C)[SeH]"]
["54329951","CP(C)(I)(I)I"]
["47692209","[Si+]S#[Si-]"]
["195759120","C=ICl"]
["174566030","[18NH3]"]
["91012107","N1=PS1"]
["78952432","CC(C)(C)[SeH].Cl"]
["175672144","[169W]"]
["63401404","[B][PH-].[Li+]"]
["78174975","[117Co]"]
["175672237","[180Pt]"]
["175672598","[249Fm]"]
["79391370","OP(O)(O)(O)F"]
["78238751","[NH]I"]
["62050854","[B][PH-]"]
["45152959","[B][PH-].[K+]"]
["51910470","[130Te]"]
["175671437","[100Ru]"]
["79927259","[20Cr]"]
["173762368","[B+]=[B-](C)S"]
["187027636","[B+]=[B-](F)F"]
["43980340","[B+]=[B-](C)F"]
["51509224","[B+]=[B-](C)C"]
["78107849","[PH]S"]
["173369485","[B+]=[B-](P)P"]
["101770173","C[14CH](C)O"]
["161670607","C[As](C)#[As]"]
["176423150","CS1=CS(C)=C1"]
["172196899","[B+]=[B-](Br)Br.[Ta]"]
["193360012","[B+]=[B-]([BH3-])[B-](=[B+])[BH3-]"]
["1105018","[191Po]"]
["100427034","C[PH]1(C)CC1"]
["161663971","c1ooc#1"]
["175671697","[127Pr]"]
["32146166","[54Cr]"]
["56681935","[SeH]Br"]
["24260252","[Ni+3].[Sb-3]"]
["173300293","[Al].[Ni+3]"]
["160349088","O.[Ni+3]"]
["23704178","[Mn+2].[Mn+].[Sb-3]"]
["52158594","CCCN(P)P"]
["174071476","C[SiH](C)N(CCN([SiH](C)C)[SiH](C)C)[SiH](C)C"]
["79870364","[Fe+3].[Sb-3]"]
["185384187","[Ni+2].[Ni+3]"]
["175916690","[Fe+2].[Ni+3]"]
["44608280","[238Cm]"]
["200576001","[K+].[Ni+3]"]
["176685461","[CH3-].[Ni+3]"]
["79872790","[262Pb]"]
["185986627","C123C45C16C21C34C561"]
["56667173","C123C45C16C24C356"]
["54313922","C123C45C16C21C62C16C17C34C51C276"]
["97304868","C[As+]C"]
["193661930","C[C+](C)[C+](C)[Si+]"]
["79399550","[159In]"]
["98717428","NN(N)C(N(N)N)N(N)N"]
["91416937","N=[Ge]"]
["78460726","[SeH]OO[SeH]"]
["79376103","ClO[SeH]"]
["78446991","FNI"]
["96818146","[CH+]=C[NH-].[Li+]"]
["79203880","[SeH]O[SeH]"]
["167536773","[SiH3]OPO[SiH3]"]
["175671974","[154Tm]"]
["79022408","F[22CH]Cl"]
["167549837","[O-][Si]([O-])([O-])[O-].[PH+4]"]
["174325882","[53Fe]"]
["51608866","[N]S.[W]"]
["79496008","[F-].[Pm+]"]
["49108504","C1C2=C1C2"]
["177583667","O=N[O-].[Pm+]"]
["49425134","[3H]NO"]
["79495584","[I-].[Pm+]"]
["79496370","[Br-].[Pm+]"]
["46193667","[Co].[N]S"]
["187116582","[Hg].[Hg].[N]S"]
["97807840","[N]S"]
["78543614","[Cl-].[Pm+]"]
["175672357","[200At]"]
["79149652","[Ag].[CH2]C(F)(F)F"]
["52053259","[CH2]C(F)(F)F.[CH2]C(F)(F)F.[Hg]"]
["190165263","C/C=C/C.C/C=C\\C.CC=CC"]
["76834409","CC=CC.CC=CC"]
["175887728","[CH2]C(F)(F)F.[Sn]"]
["49221042","[49V]"]
["49508220","F[B]S"]
["182888483","[CH2]C(F)(F)F.[Hg]"]
["1104102","CC=CC"]
["78969332","[CH][P-](=[CH+])(=[CH+])[O-]"]
["79566614","[CH2]C(F)(F)F.[Li+]"]
["1097439","[Mn+4]"]
["76246754","N#C[Si](C#N)(C#N)C#N"]
["148724255","O.[Mn+4].[O-][Si]([O-])([O-])[O-]"]
["650420","[Mn+4].[OH-]"]
["78248994","[Mn+4].[Se-2].[Se-2]"]
["175672296","[189Po]"]
["78212169","C[SH3]"]
["79927277","[26Cr]"]
["34166032","[Mn+2].[Mn+4].[O-2]"]
["97890407","C=[C-]F"]
["79446161","[O]NCl"]
["23390119","[Mn+4].[Te-2].[Te-2]"]
["32287002","[145Sm]"]
["175994247","O=[C-]F.[Li+]"]
["101787767","[124Pd]"]
["175698208","[Ba+2].[H-].[Si-]"]
["176385319","[Ca+2].[H-].[Si-]"]
["148712504","[3H][SiH2][3H]"]
["101725309","[Fe+].[Si-]"]
["170997446","[Fe+2].[Si-].[Si-]"]
["97262417","O=[C-]F"]
["54181970","[Li+].[Si-]"]
["170453304","F[C-]=[F+].[Pd]"]
["56915560","O=[C-]F.[Rf]"]
["175671549","[113Sb]"]
["175671616","[119Xe]"]
["171915553","O1C23OC24OC42OC24OC42OC132"]
["1104178","[O][I+3]([O-])([O-])[O-]"]
["100854812","C1=C[AsH2]=C1"]
["78173855","C=[SH2](C)[O-].[Na+]"]
["78951222","[22SH2]"]
["172521622","O1C23OC12C12OC1(O2)C12OC31O2"]
["78596335","[48SH2]"]
["101302123","[CH2+]C([SiH3])[SiH3]"]
["168443609","[Se]P[Se-]"]
["43440446","[S-]c1c([S-])c([S-])c([S-])c([S-])c1[S-]"]
["50978323","[O-]P([O-])Br"]
["79051157","[CH2+]C([O-])Br"]
["27122809","CO[NH]"]
["100857551","[CH2+]C([CH2+])N"]
["49680920","P=S([PH-])I"]
["100853016","[NH3+]C([NH3+])C([NH3+])[NH3+]"]
["50756269","[B-]C[NH-].[K+]"]
["175672210","[176Au]"]
["193450593","F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F"]
["67525792","C/C(O)=C(\\C)O"]
["179926735","[O-]B([O-])B([O-])[O-]"]
["171030491","F[Si-2](F)(F)(F)(F)F.O.[Cu]"]
["161886979","F[Si-2](F)(F)(F)(F)F.[H+].[OH3+]"]
["194095831","C[SiH-](C)(C)Cl"]
["172269831","F[Si-2](F)(F)(F)(F)F.O.[Zn+2]"]
["257709","F[Si-2](F)(F)(F)(F)F"]
["22784298","F[Si-2](F)(F)(F)(F)F.[Ni+2]"]
["186020868","F[Si-2](F)(F)(F)(F)F.[OH3+].[OH3+]"]
["191090555","F[Si-2](F)(F)(F)(F)F.[PH4+].[PH4+]"]
["96871462","[14CH2]=[14CH2]"]
["81865947","[1SiH4]"]
["99337267","C[N].[Fe]"]
["65922347","C[N].[V]"]
["100850166","C=[O+][CH]O"]
["79663644","C[N].[Al].[H]"]
["102964337","C.C[N].[In]"]
["174705631","C[N].[Pb].[Pb]"]
["78954353","[1Si]"]
["25778640","[CH-]=C[O+]=C"]
["90970150","C=[O+]C=CC"]
["187073766","C[N].[Nb]"]
["175672270","[185Tl]"]
["79409813","[108N]"]
["79059815","N#[N+]N[N+]#N"]
["168418587","[Ge]C(Br)Br"]
["78424349","[SiH3]OO[SiH3]"]
["33583038","[154Tb]"]
["173444602","P[NH+](S)S"]
["172696910","P[B]Br"]
["182053253","[O-][NH+](S)S"]
["182275521","C[NH+](S)S"]
["79033808","[Al].[SiH3]OO[SiH3]"]
["79265525","[108Ar]"]
["79296215","[23Fe]"]
["78124718","CBC.N"]
["96728173","NC(N)=PF"]
["79426602","CBC.O"]
["27304334","Cl[Se]Cl"]
["1105577","[PH+2]"]
["101302780","CC(C)=[PH3]"]
["53375500","IB=[B-](I)I"]
["170660084","B1[N-]B[N-]B[N-]B[N-]1"]
["79846959","Br.CBC"]
["91319931","[B+]CN=[C-]"]
["79932523","[304Pb]"]
["78138155","C=[P].[P]"]
["147769550","OS(O)(O)OOS(O)(O)O"]
["61982304","[2H][P+]([2H])([2H])[2H]"]
["54677430","[139Ba]"]
["161726830","C=[P].[Sn].[Sn]"]
["79173231","C=[P]"]
["97914323","[2H]C([2H])=[P]"]
["171913468","[2H]S(=[B])[S-]"]
["175671429","[99Ag]"]
["91011758","[F+]OCl"]
["79472097","C=[P].I"]
["175672462","[219At]"]
["100854744","Cl[CH][ClH+]"]
["79737264","C=IS"]
["79579425","N[I]S"]
["56577752","S1S[As]2SS[As]12"]
["32760959","[166Ho+3]"]
["78324162","SS1(S)CC1"]
["175671605","[118Xe]"]
["101062346","C1P2CP3CP1CP(C2)C3"]
["191847129","C.FNF"]
["174680093","FNF.[Ti]"]
["196383772","FN[S-]"]
["176337139","FNNF.[B]"]
["91539042","C1P2CP1C2"]
["78549722","C1[P@]2C[P@@]12"]
["175281712","FN[Si](NF)(NF)NF"]
["79523516","FNCl"]
["78556974","C1p2[nH]p21"]
["78530383","C1P2CP12"]
["78132408","[7Ar]"]
["79517063","O=[GeH][O-].[F-].[Mg+2]"]
["79338304","O=[GeH][O-].O=[GeH][O-].[Mg+2]"]
["79785000","O=[GeH][O-].O=[GeH][O-].[Co+2]"]
["34065649","[214Bi]"]
["79084047","O=[GeH][O-].O=[GeH][O-].[Ba+2]"]
["79119352","O=[GeH][O-].O=[GeH][O-].[Ca+2]"]
["173834084","O=[GeH][O-].O=[GeH][O-].[Cu+2]"]
["78050948","[BH2-]1SSS1.[Na+]"]
["185358352","O=[GeH][O-]"]
["79463516","O=[GeH][O-].[Na+]"]
["79263541","P1PN2PPN1PP2"]
["32842787","[157Tb]"]
["48852651","F[SH2+]"]
["79788684","N1=PO1"]
["91499817","[B+]=[B-]1CC1"]
["101303991","C1C[SH+]C1"]
["47756720","C1C[SH+]CC[SH+]CC[SH+]CC[SH+]CC[SH+]CC[SH+]1.[Pt+2]"]
["78593334","[SiH3][SiH]([SiH3])[SiH]([SiH3])[SiH]([SiH3])[SiH3]"]
["26847926","C[N+](C)(C)Cl"]
["175671082","[51Sc]"]
["100854557","C1C[SH+]1"]
["175672316","[192Tl]"]
["97771282","[P-]=c1c#[p+]1"]
["27304117","[95Zr]"]
["177060471","C[Si](C)[Si-](C)(C)(C)C"]
["168715869","O=[Te](=O)O"]
["174472623","O=[Te](O)O.[Tm]"]
["163957568","O=[Te](O)O.[Mg+2]"]
["174444756","F.O=[Te](O)O"]
["79515289","O=[Te](O)O.[Bi]"]
["173256667","O=[Te](O)O.[Cs+].[H-]"]
["167159084","O=[Te](O)O.[Mo]"]
["79603466","O=[Te](O)O.[Ga]"]
["170843793","O=[Te](O)O.[Ba]"]
["173000695","O=[Te](O)O.[H-].[K+]"]
["48357727","[157Ho]"]
["78615929","O=C=C=O.[Pt]"]
["79920150","N.O=C=C=O"]
["172734570","OON(OO)OO"]
["78117932","O=C=C=O.[Na+]"]
["179629356","C[SeH+]C"]
["157064891","C.O=C=C=O"]
["175079504","O=C=C=O.[Mn]"]
["171371496","F[SiH]1[SiH](F)[SiH](F)[SiH](F)[SiH](F)[SiH]1F"]
["158280508","O=C=C=O.[Ni]"]
["97620427","F[SiH]1[SiH]=[SiH]1"]
["195301101","O=C=C=O.[Fe]"]
["175671304","[83Zr]"]
["184797380","[18O]C[18OH]"]
["46809797","[3H][B][3H].[U]"]
["170513629","C[B-]O"]
["187026291","[3H][B][3H].[Cu+]"]
["66476059","[3H][B][3H]"]
["91196954","FP=[F+]"]
["55709096","[41Ar]"]
["161656095","B1=BB=BB=BB=B1"]
["79085842","C=C[SeH]"]
["170580313","[O-]n1on1[O-]"]
["96951731","[2H]C#[Si]"]
["78323389","NS(N)(F)F"]
["161789792","[Si-]=[O+]P[O+]=[Si-]"]
["1100117","[HH2+]"]
["173165714","NO[PH3+]"]
["59856311","B1=BB=BB=BB=BB=BB=B1.[Al]"]
["33684128","[2H][CH]Br.[Li+]"]
["192235370","[2H]N=[Se]"]
["161619163","[3CH4]"]
["79748796","[F-].[O].[Sm+]"]
["79528969","BrOOBr.[Mo]"]
["79393971","[I-].[Sm+].[Sm]"]
["25588723","[N]=C[O]"]
["97779872","[Br-].[CH2]C=C.[Sm+]"]
["78982118","[I-].[Sm+]"]
["100935875","[CH2]I.[I-].[Sm+]"]
["157602005","BrOOBr.[Ag]"]
["58659352","[2H]C[9B]"]
["78197545","O.[Cl-].[Sm+]"]
["175671631","[121Rh]"]
["175672236","[180Ir]"]
["185158283","N[AsH]([O-])([O-])[O-]"]
["52241461","[242Am]"]
["103046765","O.[Am].[Cl-]"]
["79571755","Cl.Cl.[Am]"]
["162251913","[Am].[Pm]"]
["45657067","[Am].[Am]"]
["174553757","[Ac].[Am].[Pd]"]
["42358904","[Am].[Bi]"]
["46012010","O.[Am]"]
["100854739","CO[GeH2-]"]
["173371309","[Am].[S-2].[S-2]"]
["175671042","[44P]"]
["175494542","I[GeH](I)I.[Cr]"]
["96991821","[CH2][81Br]"]
["175205910","C.I[GeH](I)I"]
["167240509","C[GeH](C)I"]
["182997407","F[GeH](I)I"]
["44185024","[83BrH]"]
["91217069","P1=C2P=C12"]
["100546556","O=C([GeH3])[GeH3]"]
["182096829","[3H]OB(O)O"]
["167251192","I[GeH](I)I"]
["168439860","[O-]C[Si]"]
["175671403","[96Rh]"]
["27265243","[SeH][Se][SeH]"]
["110900279","C1=C[PH+]=C1"]
["78130576","P[AsH]"]
["175202929","O[Se][SeH]"]
["168518174","[Si]C=[Ge+]"]
["176293135","[SeH][Se][Se][SeH]"]
["174067234","[B]=[P-](=[B])([B+])[B+]"]
["1072273","[H+].[H+].[O][O-]"]
["78204397","[SeH][Se][Te]"]
["174580776","[SiH3][Se][SeH]"]
["182432798","Cl[Se](Cl)(Cl)(Cl)Cl"]
["163563375","[120Te]"]
["100853246","C[SH3](C)O"]
["172040714","N[B]Br"]
["78665694","[Cu+4].[Se-2].[Se-2]"]
["163919388","[Cu+4].[O-2].[O-2]"]
["175672188","[174W]"]
["79507028","[122Co]"]
["79924244","O=[As]([O-])([O-])[O-].[Cu+4].[OH-]"]
["79261290","CC(C)([S])[S]"]
["79954270","O=[As]([O-])([O-])[O-].[Cl-].[Cu+4]"]
["78731884","CS(=N)#P"]
["110924102","C[75Ge](C)(C)[37Cl]"]
["27307481","[133I-]"]
["166622306","C=CI.N"]
["79249067","C=CI.[Zn]"]
["34377935","O=C=[18O]"]
["79126404","C=CI.C=CI"]
["23790005","PCCP"]
["1101905","C=CI"]
["79249448","C=CI.[Mn]"]
["185207310","N[I-](F)(Cl)Br"]
["59054406","C=CI.[Cl-]"]
["45385267","C=CI.[I-]"]
["79248287","C=CI.[Yb]"]
["32735334","[79Kr]"]
["59657136","C[P]"]
["174888822","[8BH3]"]
["1103512","O[AsH]O"]
["97009778","C1=C[I+]C=C1"]
["167343863","C[P].[Cr]"]
["173033073","O=P([OH2+])([OH2+])[OH2+].[Al+3]"]
["79550537","O=P([OH2+])([OH2+])[OH2+].P"]
["170683391","[BH3-]BBB[BH3-]"]
["79267991","C[P].Cl.Cl"]
["43181479","C[P].[V]"]
["173082727","O=P([OH2+])([OH2+])[OH2+].[Na+]"]
["185542399","[SiH2]=[Ge]"]
["91552699","C[Ge].C[Ge].C[Ge]"]
["175672410","[209At]"]
["61795985","N#C[Si](Cl)(Cl)Cl"]
["75162399","CN1NC1C1NN1C"]
["47642412","C[Ge]"]
["98047496","O=[SH](=O)CCC(I)(I)I"]
["78995153","[Ge]=[GeH2]"]
["102981276","[Ge]#[GeH]"]
["58376769","N#[Ge]"]
["32379711","[154Eu]"]
["145521004","[SiH2]Br"]
["175671755","[133Sn]"]
["79521787","[GeH3+].[H+]"]
["79391667","O.[GeH3+].[OH-]"]
["79133793","[GeH3+].[Pt].[SH-]"]
["185774759","[NH-][S+]([O-])Br"]
["78312064","[Br-].[GeH3+]"]
["173902663","[B]P=[B]"]
["96870139","C=S=[N]"]
["50410013","[NH-][S+]([O-])Cl"]
["79445704","[GeH3+].[Li+].[SH-]"]
["78335020","[Ag].[GeH3+].[SH-]"]
["79163863","[GeH3+].[SH-]"]
["175671603","[118Te]"]
["78334890","P[C]P"]
["161435","c1cnccn1"]
["193054391","[Cl-].[Cl-].c1cnccn1"]
["65749534","O1[SiH]2[SiH]3O[SiH]3[SiH]3O[SiH]3[SiH]12"]
["78539964","C[Si@@H]1O[Si@@H]1C"]
["191433052","[Cl-].c1cnccn1"]
["56103113","c1cnccn1.c1cnccn1"]
["175671734","[131In]"]
["175671762","[133Pm]"]
["79869092","O1[SiH]2O[SiH]1O2"]
["78537438","C[SiH]1O[SiH]1C"]
["1103400","[NH+]"]
["52426972","C1N[As]N1"]
["178880334","C=[P-](=C)(C)C.[CH3-].[Y]"]
["79902782","[Ge+2].[H-].[H-]"]
["91266158","FC(F)=[Ge]"]
["33819707","[Ge+2].[Se-2]"]
["172048892","[2H]N=[CH-].[Na+]"]
["33164652","[Ge+2].[O-2]"]
["91415244","CC(C)=[Ge]"]
["78950425","[C]1CN1"]
["22624600","[Cl-].[Cl-].[Ge+2]"]
["23505435","[Br-].[Br-].[Ge+2]"]
["100855561","[13CH3+]"]
["194199345","[CH3+].[OH3+]"]
["102895282","[CH3+].[HH].[Ti]"]
["97298192","[2H][13C+]([2H])[2H]"]
["103002448","[CH3+].[Ir]"]
["191766082","[CH3+].[H+]"]
["170925345","[CH3+].[CH3-].[Ru]"]
["100854011","[2H][CH+][2H]"]
["199445849","C[S-].[CH3+]"]
["103002444","[CH3+].[HH].[Ta]"]
["175916211","[CH3+].[Pd+2]"]
["167374438","[CH3+].[Li+]"]
["175670987","[35Na+]"]
["173313553","N#C[NH-].[Co]"]
["24823801","N#C[NH-].[Na+]"]
["25391623","[C-]=C=[CH+]"]
["161659959","N#C[NH-].N#C[NH-].[Sr+2]"]
["79480144","Br[P]Br"]
["161784228","N#C[NH-].N#C[NH-].[Ni+2]"]
["171321517","N#C[NH-].N#C[NH-].[Ag]"]
["79779710","N#C[NH-].[Co+]"]
["98002713","F[SH]123SC1(S2)S3"]
["79829665","N#C[NH-].[Ni+]"]
["100927956","[SiH2]=C=PBr"]
["79255652","[16SH2]"]
["168474325","[Se][Se]C[Se-]"]
["175671964","[153Lu]"]
["56581025","C[AsH](C)(C)C"]
["101032290","C[AsH](C)(O)O"]
["25116279","NC(F)(F)C(N)(F)F"]
["47609046","CC(C)(C)[17O]"]
["174524190","O=PCl.O=PCl"]
["52784897","O=PCl.[F-].[F-]"]
["174817383","N.O=PCl"]
["91238759","[NH-][Si]#[Si][NH-].[NH-][Si]#[Si][NH-].[Zr+4]"]
["32692235","O=PCl"]
["65942992","[83Se]"]
["176111387","C[B-](C)(C)C.C[B-](C)(C)C.[Ge]"]
["25218585","C[B-](C)(C)C"]
["79408058","C[B-](C)(C)C.[Na+]"]
["79100906","C[B-](C)(C)[SiH3]"]
["171568252","C[B-](C)(C)C.[H+]"]
["161694765","C[B-](C)(C)N.[K+]"]
["43516625","C[B-](C)(C)[NH3+]"]
["101117817","[C-]=C[GeH+]"]
["54820099","[2H][B][2H].[U]"]
["175671161","[64Mn]"]
["192326972","C.C[B-](C)(C)C"]
["34083964","[95Nb]"]
["66596970","[1H]OC"]
["172683468","C[PH+](C)C.[Ni]"]
["99500341","C[PH+](C)C.C[PH+](C)C.[Co]"]
["101704381","C[PH+](C)C.[CH3-]"]
["175671982","[155Pm]"]
["68879860","[1H][S]"]
["172257173","C[PH+](C)C.[CH3].[Sn]"]
["83216944","[H]/N=N/[H]"]
["103033427","C[PH+](C)C.C[PH+](C)C.[Pt]"]
["191688952","[BH3-][B][BH3-]"]
["174741076","C[PH+](C)C.[Ir]"]
["58245733","[Pt+2].[Ta+2]"]
["45932248","[Mn+2].[Pt+2]"]
["60554219","[Hf+4].[Ta+2]"]
["52103966","[Mn+2].[Ni+2].[Pt+2]"]
["101726678","[NH2-].[Ta+2]"]
["58594011","[Pt+2].[Pt+2].[Pt+2]"]
["172809697","NN.[Pt+2]"]
["166857334","[C-]#N.[Cl-].[Pt+2]"]
["183692532","[N-]=[N+]=NP(=O)=P"]
["53164949","[CH3-].[Pt+2]"]
["50599812","O.[Cl-].[Pt+2]"]
["78199927","[108P]"]
["60256454","[173Ta]"]
["91416485","O=c1[si]#[si]1"]
["192397955","C=[As-].[Ca+2]"]
["62869205","[2H]P([2H])[O+]"]
["97823365","[C-][N+](C)(C)C"]
["58053226","[3H]S[N-]Br"]
["97022059","O=[N+2]O"]
["63912616","O[S+](O)O"]
["145281555","C[C]1C(C)=C1C"]
["67295546","O=[74Se](=O)(O)O"]
["97172575","[C-][N+](F)(F)F"]
["51778266","N=C1CC(=N)C1"]
["175672041","[160Lu]"]
["199375686","p12p3p1p23.p12p3p1p23.p12p3p1p23"]
["192406053","[3H][Si]([3H])C.[W]"]
["79407593","[CH]PP"]
["1103993","p12p3p1p23"]
["602279","[133Xe]"]
["172738652","O.p12p3p1p23"]
["60068627","[116Sb]"]
["91236120","N#[P+]O"]
["79354324","[9SH2]"]
["171964057","Cl.p12p3p1p23"]
["79582127","[CH]PN"]
["79085019","[C].[C].[C]"]
["161917932","[C].[Co].[Co]"]
["78616321","[C].[OH-].[Pd+]"]
["79607866","[BH3-]O.[Na+]"]
["172995334","O[Si](O)(O)O.[H-].[K+]"]
["79161429","[C].[Ca+2].[O-2]"]
["79029040","[CH].[C]"]
["79215054","O[Si](O)(O)O.[Li+].[Sr]"]
["172700350","O[Si](O)(O)O.[AsH3]"]
["79182193","[Ba].[C].[Si]"]
["78225071","O[Si](O)(O)O.[CH3].[Na+]"]
["192250332","O[Si](O)(O)O.[O-2].[Zn+2]"]
["1101281","[SiH+]"]
["170467660","[2H]O[2H].[K+]"]
["27059480","BrBBr"]
["172490290","O.[2H]O[2H]"]
["68466364","[2H]O.[U]"]
["193817722","O[BH-]O.[Y]"]
["24000935","CC(C)(N)C(C)(C)N"]
["175672238","[180Au]"]
["175797515","[2H]O.[Sn]"]
["83976903","C=C=[N].C=C=[N].[Hg]"]
["168372955","C=C=[N].[Sn]"]
["170507453","[2H]O[2H].[2H]O[2H].[2H]O[2H]"]
["79873676","[144Ar]"]
["192526159","I[BH2-]I"]
["175671573","[115Cs]"]
["78723196","CB(N)N"]
["192246155","P[BH2-]I"]
["90956446","C=[Si]=[O+]"]
["194026505","I[B][BH2-]I"]
["79410269","[13SH2]"]
["60131790","OOOO.[Y]"]
["83986302","[As]C[As]"]
["159520842","OOOO.[Fe]"]
["83064182","ClC[As]"]
["53903096","[As]C[At]"]
["78135510","OO.OOOO"]
["91117700","[si]1c2c3[si]#[si]c3c3[si]#[si]c3c2[si]#1"]
["56891179","OOOO.[W]"]
["58577571","[120Sb]"]
["82233968","P1C23P[PH]12P3"]
["78880515","Cn1ss1"]
["32814076","[82BrH]"]
["175671035","[43P]"]
["189840344","CPC.[Au]"]
["183221036","CPC.[Ru]"]
["91133900","CPC.[Ga]"]
["23952982","[P-3].[Ta+3]"]
["196877323","[CH-]=[O+]P([O+]=[CH-])[O+]=[CH-]"]
["189779290","CPC.[H-]"]
["32288782","[Ta+3]"]
["48913289","CPC.P"]
["174781930","CPC.Cl.Cl"]
["82249426","Br.CPC"]
["78588699","[47Ar]"]
["83060424","C#C[Se]"]
["27303788","[111In]"]
["91486387","[C+]#C[Se]"]
["161659240","N#C[Se].N#C[Se].[Zn]"]
["99565550","N#C[Se].[Cu]"]
["171925997","[2H][I-]Br"]
["1098644","N#C[Se]"]
["91119173","N#C[Se].[Ge]"]
["99670358","N#C[Se].[Na+]"]
["91119302","N#C[Se].[Sn]"]
["91379533","O1[Si]#[Si]1"]
["175672699","[271Sg]"]
["55465303","[B-]N"]
["167276419","C[Te](C)(I)(I)(I)I"]
["43581232","II=[IH]"]
["170675818","[B-]N.[B-]N.[Sr+2]"]
["69528254","N[Si](N)N"]
["170675814","[B-]N.[B-]N.[Ca+2]"]
["175671793","[136Sm]"]
["170675822","[B-]N.[Na+]"]
["97549656","C[Te](C)(C)(C)(C)C"]
["97458489","C1#C[SiH2][SiH2][SiH2][SiH2]1"]
["96614555","[C]#[34S+]"]
["175672506","[229Ra]"]
["97369492","C1C[34S]1"]
["91218377","C[Si]#P"]
["68778388","OO[OH2+]"]
["97758148","C=[GeH]"]
["83220295","[80Sr].[H].[H]"]
["27306664","F[Xe](F)(F)F"]
["61354127","[80Sr]"]
["175671099","[54Ti]"]
["63486752","[80Rb]"]
["175671732","[131Ag]"]
["79504503","[O-][P+]#[SiH]"]
["101338436","S1[PH]23SS12#S3"]
["97021211","[N]=[O+]C#N"]
["79425704","[273Pb]"]
["100715746","[C]#[P+][O-]"]
["175670946","[28Na+]"]
["68276710","[146Nd]"]
["175672504","[228Pu]"]
["79762603","C[CH][AsH2]"]
["97017552","[C]1=PP1"]
["33164029","[Hg+]"]
["192762672","[Bi].[Hg+]"]
["103038029","C.[Hg+].[OH-]"]
["65793305","[2H]N=C"]
["191764179","[Ag].[Br-].[Hg+]"]
["61206156","[Cr+2].[Ti+2].[W+2]"]
["191695960","[Cu+].[Hg+]"]
["161742542","[CH3].[Hg+].[O-][Cl+3]([O-])([O-])[O-]"]
["64772010","O=P([O-])([O-])[O-].[Co+2].[W+2]"]
["171891781","[C-]#C.[C-]#C.[W+2]"]
["157860888","OO.[Cl-].[Hg+]"]
["79645352","[C-]#[C-].[Hg+].[Hg+]"]
["175672021","[159Pr]"]
["79669113","[N-]=[Br+]=O"]
["172852416","Br.[O-][Br+]O"]
["193298319","OBr.[O-][Br+]O"]
["174772864","[35PH3]"]
["1101046","[O-][Te](O)(O)(O)(O)O"]
["172309219","CC=S(=CC)=CC"]
["192625479","[Li+].[O-][Br+]O"]
["96698657","Br[Br+]Br"]
["161824430","C1[Si]=P1"]
["61397084","[Ge+]=C=[As-]"]
["97772762","C[Br+]C"]
["175327540","[111Mo]"]
["175671104","[55Ca+2]"]
["46867825","[29Al]"]
["79169300","N1[PH3]C12N[PH3]2"]
["67799129","C[B]N"]
["175672218","[177Hg]"]
["79265704","[4B]"]
["83056452","[K+].[Si]#[Si-]"]
["46671260","C[17O]C"]
["57480035","[Li+].[Si]#[Si-]"]
["67782967","[22CH4]"]
["91038047","[Na+].[Si]#[Si-]"]
["33079393","[100Pd]"]
["26811549","FC(F)(F)[SiH2]"]
["171673953","COCl.COCl"]
["26713128","COCl"]
["175671048","[45S]"]
["79080006","NS(F)(F)F"]
["168346413","[NH+]1=[SH]SS1"]
["54481704","[234Pa]"]
["171039688","[87Rb+].[H-]"]
["79265403","[110Ti]"]
["78504254","[CH2]B(O)O.[CH3].[Ta]"]
["25690856","[CH2]B(O)O"]
["68866204","[99Y]"]
["175671455","[102Tc]"]
["68422687","[109In]"]
["46342650","o1ooso1"]
["79889588","[61Ar]"]
["26382166","[B]CO"]
["172083092","S[N+](S)(S)S"]
["174934294","O1[As]2O[As]1O2.O1[As]2O[As]1O2"]
["79874031","C1=IC1"]
["42335691","O=B[S-].[Na+]"]
["1066069","O1[As]2O[As]1O2"]
["175670882","[14Be]"]
["78974825","[SiH3][Si]([SiH3])(Cl)Cl"]
["97209737","O[C+](O)O"]
["47177680","[SiH3][Si]([SiH3])([SiH3])[SiH3]"]
["51493195","C[C+](C)[N]"]
["25773648","[CH]CF"]
["78601009","O[Si]([SiH3])([SiH3])[SiH3]"]
["79634266","[50Se]"]
["53678918","[CH]CO.[Rf]"]
["91552947","C[C+](C)[As]"]
["101711859","N#C[C+](C#N)C#N"]
["27018070","C[Si](C)([SiH3])[SiH3]"]
["175672071","[163Tb]"]
["79957633","[Al].[SiH2]O[SiH3]"]
["25147055","CO[SiH2]"]
["191035341","OOO[SiH2]"]
["79191661","[SiH2]O[SiH3]"]
["79367800","[Ce].[SiH2]O[SiH3]"]
["79776595","OO[SiH2]"]
["79830000","[SiH2]O[SiH3].[V]"]
["173948240","NC(N)[GeH3]"]
["60981517","CP(C)#N"]
["78263882","CO[PH4]"]
["150602217","N#P(P)P"]
["175671827","[140Cs]"]
["51224194","[pH]1[pH][pH]1"]
["161655103","[Ir].[S-][S-]"]
["97780962","[Au+].[Au+].[S-][S-]"]
["173756761","[Re].[Re].[S-][S-]"]
["45548386","[Na+].[SiH3][Si]([SiH3])=[SiH3-]"]
["161925886","[Li+].[S-][S-].[Ti]"]
["53733779","[Ag].[Ga].[S-][S-]"]
["176100040","Fc1c(F)c(F)[13c](F)c(F)c1F"]
["161655099","[Ru+2].[S-][S-]"]
["60861120","[SiH3][Si]([SiH3])=[SiH3-]"]
["45051664","[pH]1[pH][pH][pH][pH]1"]
["1104412","[213Po]"]
["91547268","[Si]1#[Si]P1"]
["97158833","C=[Si]=[SiH2]"]
["101001178","[CH2]BF"]
["170616782","Cl[B-]1(Cl)N[B-](Cl)(Cl)N[B-](Cl)(Cl)N1"]
["83224283","[213Po].[H].[H]"]
["79589658","[1Cr]"]
["96845053","[SiH2]=[Si]=[Si]=[Si]=[SiH2]"]
["96646584","[SiH2]=[Si]=[Si]=[Si]=[Si]=[SiH2]"]
["97160174","[SiH2]=[Si]=[Si]=[SiH2]"]
["97699714","[SiH2]=[Si]=[Si]=[Si]=[Si]=[Si]=[SiH2]"]
["97219583","[SiH2]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[SiH2]"]
["97422765","[SiH]1=P[SiH]=P1"]
["175671878","[145Ce]"]
["78167567","[122S]"]
["179099112","Nc1c([NH3+])c(Br)c(Br)c(Br)c1Br"]
["181823485","c1c[pH+]ccp1"]
["79090942","[NH]S"]
["175671674","[125In]"]
["175671159","[64V]"]
["91433721","Nc1c(N)c(Br)c(Br)c(Br)c1Br"]
["96823002","[2H][C-]([2H])C([2H])([2H])[13CH2+]"]
["79240662","N1=PN1"]
["32478573","[148Pm]"]
["175672064","[162W]"]
["79464842","[110Co]"]
["45454090","[133Te]"]
["175672268","[185Pt]"]
["175672600","[250Fm]"]
["78169461","[164Nb]"]
["53491118","[99Ru]"]
["175726697","F[As-]F.[Li+]"]
["175671502","[108Nb]"]
["78616070","S=P1=PC1"]
["171963183","N[B+]Br.[I-].[I-]"]
["175671911","[148Tm]"]
["166834344","C=[20C]=C"]
["100853280","O=[AsH]1CC1"]
["182933760","O=I(=O)PI(=O)=O"]
["25121230","P[CH]P"]
["59828230","CC(C)(C)[S]"]
["185774376","O=[Se](=O)=S"]
["91152633","[Si][O+]([Si+])[Si-]"]
["161850444","C[O+](C)[Si]"]
["175672317","[192At]"]
["60687893","I[IH]I.[V]"]
["172277643","C=[Si]1OO1"]
["60393400","[B+]=[P-](C)(O)(O)O"]
["55307200","C[N+](C)C.[Cl-]"]
["79245528","F[AsH](F)(F)F"]
["24844009","C[N+](C)C"]
["173504358","F[AsH](F)(F)F.[H-].[Li+]"]
["65337904","Br[Si]#[Si]Br"]
["63203163","I[IH]I.[Cu]"]
["183725183","Cl[AsH](Cl)(Cl)Cl"]
["175851732","[Am+2].[F-].[F-]"]
["51461040","[188Pt]"]
["79624522","[S-]I.[Sb]"]
["22981368","N#[13C]N"]
["171863012","[Mn].[S-]/C=C\\[S-]"]
["79429960","[CH3].[Fe+].[S-]I"]
["67511718","[S-]/C=C/[S-]"]
["50078773","[K+].[S-]I"]
["47673174","[S-]I.[V]"]
["172072428","[Cl-].[Mg+2].[S-]I"]
["46829129","[Mn+2].[S-]/C=C\\[S-]"]
["172155866","[S-]I.[V].[V]"]
["79404926","[Na+].[Na+].[S-]/C=C/[S-]"]
["175671339","[87Nb]"]
["42505500","[Er+2].[F-].[F-]"]
["66211703","[NH3+]C(F)(F)F"]
["180624239","[NH-]P([NH-])([NH-])=O"]
["175220702","CC.Cl[GeH](Cl)Cl"]
["91218379","N[Si]#P"]
["97042500","[Br-].[Br-].[Er+2]"]
["185641505","CP([S-])[S-]"]
["23900996","Cl[GeH](Cl)Cl"]
["91239635","B1=[Si]C1"]
["175221235","C.Cl[GeH](Cl)Cl"]
["33473594","[Er+2]"]
["175671005","[37K+]"]
["65959841","O=[Se]([O-])[O-].[Ni+2]"]
["43230040","O=[Se]([O-])[O-].[Tl+]"]
["190883437","O=[Se]([O-])[O-].[Fe+4].[O-2]"]
["79219932","O=[Se]([O-])[O-].[Se+2]"]
["61343339","O=[Se]([O-])[O-].[Sr+2]"]
["193979946","O[B]O.[F-]"]
["161944770","O[B]O.[Bi]"]
["69581661","C[B-](P)I"]
["177788689","O=[Se]([O-])[O-].[Au+].[Au+]"]
["50569156","O=[Se]([O-])[O-].[Cu+].[In+3]"]
["173088452","O[B]O.[H-].[Li+]"]
["79905239","[143Zr]"]
["99291276","[Si-]#[N+][N+]#[Si-]"]
["57020989","FBF"]
["59651691","FC(F)(F)[Se].[Ge]"]
["167177957","FC(F)(F)[Se].[Cu]"]
["44669023","FC(F)(F)[Se].[Ge].[Ge]"]
["97204364","[B+]=[N+]=[CH-]"]
["172148070","[2H][B-]([2H])[2H].[Na+]"]
["61880718","FC(F)(F)[Se].FC(F)(F)[Se].[Ge]"]
["100816611","C1P23=P1(C2)C3"]
["175672702","[272Bh]"]
["178074683","FC(F)(F)[Se].[Ag]"]
["63832293","[40PH3]"]
["78553400","C[SH](C)#P"]
["177236583","[CH2][SH](C)C"]
["100853317","P=C=[PH3]"]
["45623204","[2H][O+]=PP"]
["175671406","[96Cd]"]
["70167562","[O-][SH](=P)=P"]
["175671218","[73Cu]"]
["100289111","[B]CC.[B]CC"]
["100290216","CC.CC.[B]C[B]"]
["25591757","C[SH](=O)=O"]
["63922096","[B]C[B]"]
["79831901","[138Mn]"]
["190163585","CC(C)(C)C.N.[W]"]
["1105276","CC(C)(C)C"]
["192963099","CC(C)(C)C.Cl"]
["79971425","CC(C)(C)C.Cl.Cl"]
["190700785","CC(C)(C)C.P"]
["78729101","[119Ar]"]
["173415564","CC(C)(C)C.[H-].[Li+]"]
["192523668","CC(C)(C)C.F"]
["191510535","C.CC(C)(C)C.II"]
["56314336","CC(C)(C)C.[CH3-].[Rf]"]
["192129050","CC(C)(C)C.CC(C)(C)C.CC(C)(C)C"]
["175671831","[140Eu]"]
["78059792","C=C(N)C(=C)N"]
["79965545","C[N+](C)([NH3+])[NH3+]"]
["79337835","B[SiH](C)C"]
["1102718","[AsH2][AsH2]"]
["78314155","C[N+](C)(C)[NH3+]"]
["67231201","CB(P)P"]
["79036527","OC[SH3]"]
["78166057","[256Pb]"]
["172721243","O=P(F)(F)F.[K+]"]
["175059863","O=P(F)(F)F.[Ru]"]
["49287110","[Db]"]
["164302936","BrC12C3(Br)C4(Br)C1(Br)C1(Br)C2(Br)C3(Br)C41Br"]
["91673359","O=P(F)(F)F.[Ni]"]
["172853188","O=P(F)(F)F.[Na+]"]
["174898973","F.O=P(F)(F)F"]
["78144893","O=P(F)(F)F.[B]"]
["101628879","C[PH+](N)[S-]"]
["59679762","[B]1C[B]C1"]
["91437122","O=P(F)(F)F.[Mn]"]
["43561024","[52V]"]
["99862395","[13CH2]=[18O]"]
["55617605","[OH2+][S-]"]
["190214997","C.[Na+].[O-][SeH]([O-])O"]
["96979090","[CH2]O[GeH3]"]
["26178223","[CH2]CCl"]
["79295580","[46Si]"]
["101258654","C1C[As+]12CC2"]
["57004144","[B+]N=[C-]"]
["46870077","[2H]CP"]
["44450769","[156Sm]"]
["190228662","F.[2H]CP.[2H]CP"]
["175671394","[95Rh]"]
["57818881","[SiH3][Si]([SiH3])=[Si]([SiH3])[SiH3]"]
["171889665","[B]=P(=[B])C"]
["74260228","S1C23SC24SC42SC24SC42SC132"]
["168301491","[CH-]C.[Rf].[Rg]"]
["99602436","[CH]C(F)(F)F.[Zr+2]"]
["174568642","C[Si](C)[SiH3]"]
["91018204","BrB(Br)CB(Br)Br"]
["97146273","[SiH3][Si]([SiH3])=[Si]=[Si]([SiH3])[SiH3]"]
["68816155","c1cc[oH+]c1"]
["193676930","[PH3+]CCCC[PH3+]"]
["176111883","[GeH3].[SiH3][Si]([SiH3])[SiH3]"]
["1103790","[205Po]"]
["100709124","NC1=C=C1N"]
["79886363","[Fe+].[Fe+].[O-]S[O-]"]
["191107938","[NH-]C[NH-].[Na+].[Na+]"]
["193780221","[Cs+].[Cs+].[O-]S[O-]"]
["59973530","P=S(=P)([PH-])P"]
["83214582","[205Po].[H].[H]"]
["79112875","[O-]S[O-].[Zn+].[Zn+]"]
["147868515","[NH3+]CN(C[NH3+])C[NH3+]"]
["161910594","C[As]1SS1"]
["173253695","O[CH]O.[Pb]"]
["148764171","PS(I)(I)#I"]
["79184741","[20Ar]"]
["173096686","Cl.[O-][ClH+]"]
["171763134","O=P(Cl)(Cl)[ClH+]"]
["190788384","N.[NH3+]Cl"]
["79668222","C[PH3]O"]
["173018118","Cl.Cl.[O-][ClH+]"]
["161719902","[2H]P([2H])([2H])(C)C"]
["173171380","S.[O-][ClH+]"]
["177170924","Cl[ClH+].[Cu]"]
["53794045","F[ClH+]"]
["54298684","C=C[ClH+]"]
["79612273","C[Ge+](C)C.[Br-]"]
["79873872","[148Zr]"]
["78558876","P12C34P5[Si]16P3P2546"]
["175809982","NP(P)P"]
["174502781","CC=[14O]"]
["168461864","B#[Si][Si]#B"]
["91454057","CC(C)(C)[Si-]"]
["100992233","[O-][PH]1([O-])O[PH]([O-])([O-])O[PH]([O-])([O-])O1"]
["190487957","OC(O)=[18O]"]
["79199493","C[NH+](C)Cl"]
["175672652","[260No]"]
["97093537","[GeH2]1c2c3c(c4c(c21)[GeH2]4)[GeH2]3"]
["91012338","F[Cl+]Cl"]
["173352865","F[GeH2].F[Ge](F)F"]
["192895777","CC(C)(C)[AsH2].[AsH3]"]
["175894047","F[Ge](F)F.[Li+]"]
["175541170","CC(C)(C)[AsH2].Cl.Cl"]
["91226399","F[Ge](F)F.F[Ge](F)F"]
["175671714","[129Ba]"]
["59992883","F[Ge](F)F"]
["68840996","CC(C)(C)[AsH2]"]
["172091879","[CH-]=II"]
["79873324","[19Fe]"]
["161840696","C[Si]1=[Si](C)[Si](C)=[Si](C)[Si](C)=[Si](C)[Si](C)=[Si]1C"]
["172134713","[2H][S](Br)Br"]
["79299323","O=C([S])[S]"]
["78324344","[104Ar].[Kr]"]
["182140289","SS[SH2+]"]
["79924340","[NH]SO"]
["79265519","[104Ar]"]
["185324758","NS(=O)S(N)=O"]
["64777459","C[Si]1=[Si](C)[Si](C)=[Si]1C"]
["175671619","[120Tc]"]
["97944026","NP[PH-].[Ni+]"]
["97077539","[C+]=CC"]
["180624158","NP[O-]"]
["194583229","P.[Es]"]
["199882498","[2H][NH-].[Es]"]
["97131486","[C-][F+]C"]
["161691053","O1C23OC1(O2)O3"]
["100551674","[Es].[O]"]
["78509347","NP[SiH3]"]
["170617220","[Ba+2].[K+].[Se]=P([Se-])([Se-])[Se-]"]
["55416296","[251Es]"]
["175670922","[23Mg+2]"]
["79517679","O=[PH3].[Br-].[Li+]"]
["6313015","Nc1c(N)c(N)c(N)c(N)c1N"]
["63873596","Cl[P+](Br)(Br)Br"]
["79150719","O=[PH3].[S]"]
["79354675","[17Cr]"]
["175745231","Nc1c(N)c(N)c(N)c(N)c1N.[Co]"]
["79034320","O=[PH3].P"]
["50947782","[B+]=[PH3]"]
["78151051","[PH3]=S.[Pd]"]
["42927573","Cl.Nc1c(N)c(N)c(N)c(N)c1N"]
["78954254","N=[PH3]"]
["175672304","[190Pb]"]
["184041419","C[Se](C)O"]
["101539970","O.O.O=[Se](O)O"]
["174947449","O=[Se](O)O.[Co].[Ni]"]
["159456423","O[Se](O)=S"]
["79777056","O=[Se](O)O.[Hg]"]
["76743741","O=[Se](O)O.O=[Se](O)O.[NH4+]"]
["97100710","C[As-]C"]
["173776317","O=[Se](O)O.O=[Se](O)O.[Si]"]
["171151499","C[As-]C.[K+]"]
["55352980","[240Np]"]
["161691858","C[As-]C.[Mg+2]"]
["79813768","[155Hg]"]
["49558717","C[Si](C)(C)[Si](C)(C)C.[Li+]"]
["192670810","C[Si](C)(C)[Si](C)(C)C.C[Si](C)(C)[Si](C)(C)C"]
["172510904","[B+]=CI"]
["63318794","Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl"]
["79523445","[59B]"]
["174619497","C[Si](C)(C)[Si](C)(C)C.[Pd]"]
["24741123","C[Si](C)(C)[Si](C)(C)C"]
["45229414","Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl.[Eu+2]"]
["190255195","C.C.C[Si](C)(C)[Si](C)(C)C"]
["193004016","C[Si](C)(C)[Si](C)(C)C.[SiH4]"]
["60792487","C[Si](C)(C)[Si](C)(C)C.[Na+]"]
["81835080","[29Fe]"]
["54935631","[O-]P([O-])[P-]"]
["55066072","C=S=N"]
["101703418","C=S=P"]
["46820222","N[CH-]N"]
["173541623","[B]=S=C"]
["170553694","F[B-](F)(F)O[B-](F)(F)F"]
["175074425","Cl.N[CH-]N.[Pd]"]
["185585329","N[CH-]N.[Cu+]"]
["24857514","C=C.C=S=C"]
["55470436","N[CH-]N.[CH3-].[Y]"]
["79269996","[138Ni]"]
["175670944","[27S]"]
["49103513","N[AsH2]=O"]
["150533114","BC(B)=O"]
["55752504","O=I(=O)I"]
["1100547","O=[AsH2][O-]"]
["101032280","O=[AsH2]C[AsH2]=O"]
["96953175","C=C[Ge+]"]
["78937528","C[AsH2]=O"]
["110919734","CC=[SiH-]"]
["193342177","O=[AsH2][O-].[Na+]"]
["79449669","O=S([SiH3])[SiH3]"]
["96493898","[34S]=C=[34S]"]
["175672194","[174Hg]"]
["185667685","[GeH3]C=C[GeH3]"]
["192435128","[H+].[O]P[O].[Sr]"]
["51906636","ClC(Cl)(Cl)[GeH3]"]
["20221961","C=CS.S"]
["158012128","F.[H+].[O]P[O]"]
["172750157","[O]P[O].[Y]"]
["173176136","[Ge].[H+].[O]P[O]"]
["175834359","[Cu].[O]P[O].[U]"]
["176024934","[Ce].[La].[O]P[O]"]
["175895860","[NH2-].[O]P[O].[Sn+]"]
["79941033","[GeH3]/C=C/[GeH3]"]
["175671362","[91Kr]"]
["79129808","[39C]"]
["175803286","O=[TeH2]"]
["33506633","[189Os]"]
["100876588","C1C[GeH]2CC[GeH]1CC2"]
["25914988","N=CC=N"]
["43770755","O=BB=O"]
["190250352","N=CC=N.N=CC=N"]
["97684045","[2H]O[CH]"]
["1103406","[O-][I+]([O-])([O-])(O)(O)O"]
["199527422","[Na+].[O-][I+](O)(O)(O)(O)O"]
["1104728","[O-][I+]([O-])([O-])([O-])([O-])O"]
["161920440","C[Se]I"]
["162309690","I.[O-][I+](O)(O)(O)(O)O"]
["91174693","N1NC1C1NN1"]
["61701629","[Nb+2].[Nd+3]"]
["46587197","[Nb+2].[Pb]"]
["190589462","[Nd+3].[O-2].[Ti+4]"]
["43962167","[Al+3].[Nd+3]"]
["64220861","[Nd+3].[O-2].[S-2]"]
["91531610","[CH3-].[CH3-].[Nd+3]"]
["68809011","[Ho+3].[Nd+3]"]
["50033772","[Nd+3].[Ni+2]"]
["54572822","[C-]#N.[Nd+3]"]
["179629288","[CH3-].[CH3-].[Nb+2]"]
["56395392","[Na+].[Nd+3]"]
["101725689","[Nd+3].[O].[Zr]"]
["175671818","[139Sm]"]
["33502849","Cl[13CH](Cl)Br"]
["79697683","BrC(Br)C(Br)Br.CC"]
["192671685","BrC(Br)Br.[Br-]"]
["175705011","Cl.O=[N+]=O"]
["79351680","O[P+](O)(O)O.[Cl-]"]
["79062612","[Al].[CH2]C(Br)Br"]
["32862419","Cl[13CH](Br)Br"]
["62568232","O[P+](O)(O)O"]
["953722","BrC(Br)C(Br)Br"]
["60989674","[si]12[si]3[si]4[si]1[si]1[si]2[si]2[si]3[si]4[si]12"]
["61668302","Cl[P+](Cl)(Br)Br"]
["78238903","[146Ar]"]
["163563489","[18O]=P([18O-])([18OH])[18OH].[K+]"]
["97820905","N[Si]1(N)C=C1"]
["91672002","[As]1=[As]2=[As][As]12"]
["173699296","[B-]=S(I)I"]
["100849174","[2H]O[CH2+]"]
["66492162","[N]=NN"]
["97093509","[N-]1[Se][N-][Se]1"]
["68598758","[18O]=P([18OH])([18OH])[18OH]"]
["175672590","[247Es]"]
["175030272","P#[Si]P"]
["175671500","[108Y]"]
["79115986","F[I]F"]
["91015972","F[Si]#P"]
["60598808","[B-]=IF"]
["91307234","P#[Si]Br"]
["182968280","[2H][S+](C)C"]
["78066086","C=IF"]
["81473231","N=S=P"]
["175030271","P#[Si]P.[Ni]"]
["52697035","F[I]Cl"]
["175671188","[68Co]"]
["193748899","O=[P-]=O.[Mg+2].[S-]S[S-]"]
["96854429","[CH]=P.[Na+]"]
["78273303","[K+].[O]P=O"]
["161378523","[O].[O]P=O.[W]"]
["79100022","[NH]B(O)O"]
["96773628","[CH]=P.[Li+]"]
["79368630","[O]P=O.[Pt]"]
["177567403","[131Pt]"]
["185505538","O=[P-]=O.[Li+]"]
["78268338","[Mo].[O]P=O"]
["101705071","C#C[SiH2+]"]
["174428581","[58Mn]"]
["64074066","[PH-][B]P"]
["56406962","[K+].[K+].[PH-]I"]
["79263454","[Na+].[Na+].[PH-][PH-]"]
["148751842","N#C[Se-].N#C[Se-].[Zn+2]"]
["79051578","[PH-]P.[Ru+]"]
["66748241","[K+].[PH-]P"]
["61936295","[PH-]I"]
["172033895","C[PH-].[V]"]
["83235778","[116TeH2]"]
["79194446","N#C[Se-].[Li+].[Pt]"]
["97523647","CC(C)(C)[PH-].[Li+]"]
["175670874","[9C]"]
["48294845","C[N-]C.C[N-]C.[Mg+2]"]
["54775807","C[N-]C.C[N-]C.[V+2]"]
["185028733","C[N-]C.[CH3-].[Cu+2]"]
["171787751","C[N-]C.C[N-]C.[Pd+2]"]
["183914437","C[N-]C.[Ru+]"]
["99333592","C[N-]C.[Ta]"]
["183300770","C[N-]C.C[N-]C.[Re]"]
["48636852","C[N-]C.C[N-]C.[Al+3]"]
["179629208","C[N-]C.[Ti+4]"]
["78252876","C[N-]C.[Cs+]"]
["185385343","C[N-]C.[Sn+]"]
["46149141","[237Pu]"]
["170527002","[Se-]CSC[Se-]"]
["43463537","I[SiH](I)I"]
["174455043","I[SiH](I)I.[H+]"]
["96994998","C[Si](C)(C)[N-]"]
["79386761","[270Pb]"]
["181299097","NNS(F)(F)F"]
["175671981","[155Nd]"]
["56710743","O=[Si]=[Si]=O"]
["175671910","[148Er]"]
["79002349","C.N#CS.N#CS"]
["145129","N#CS"]
["13815828","C[CH]C.[I-].[Sn+]"]
["91233337","[F-].[N].[Sn+]"]
["168409850","O=[Si-].[CH]=C.[Sn+]"]
["163939297","N#CS.N#CS.[Zn]"]
["79494943","C[S-].[Sn+]"]
["91119357","[O-][Cl+3]([O-])([O-])[O-].[Sn+]"]
["78292221","[CH2]C=C.[OH-].[Sn+]"]
["175507625","N[Se][SiH3]"]
["173211755","C[S-].[H].[Sn+]"]
["78127062","[BH2+].[Pt-]"]
["79405444","[Cu+2].[GeH3-].[GeH3-]"]
["157349737","[GeH2].[Zr]"]
["1104443","[GeH3-]"]
["79194515","[GeH3-].[GeH3-].[Ni+2]"]
["1102136","[BH2+]"]
["173010832","[GeH2].[SiH3].[SiH3]"]
["79751802","[BH2+].[F-]"]
["79109195","[BH2+].[Cd-]"]
["78220312","[Ag-].[BH2+]"]
["78995552","[GeH3-].[GeH3-].[Sr+2]"]
["101395804","[BH2+].[V-]"]
["78292609","[229Pb]"]
["173958794","I[GeH]I.[GeH2]I"]
["174992459","Cl.O=[GeH]O"]
["185370848","Cl[GeH]Cl.[GeH3]"]
["185687174","BrNNBr"]
["52324763","O=S([OH2+])[OH2+]"]
["175672622","[255No]"]
["79243864","O.O=[GeH]O"]
["79556966","C=[GeH]C"]
["51096605","[O-][N+]([O-])=[Si+]"]
["185368393","Cl[GeH]Cl.[SiH2]Cl"]
["173116493","Cl[GeH2].Cl[GeH]Cl"]
["83218465","[69GeH4]"]
["25233577","[CH-]=C([CH2+])O"]
["100876587","C1[Ge]23C[Ge]12C3"]
["164450021","[66CH4]"]
["79910778","[CH-]=C(N)N.[Na+].[Na+]"]
["100876589","C1C[Ge]23CC[Ge]12CC3"]
["99612772","N.[CH-]=C(N)N.[Fe]"]
["175670895","[18N]"]
["26662140","[CH]=C(F)F"]
["53740184","C[As]1(C)OS1"]
["97325309","[CH-]=C(O)O"]
["97816013","[Se]=C/C=C\\C=[Se]"]
["49500617","[146Gd]"]
["192975874","O=C=[AsH]"]
["78100365","OC(O)O.OC(O)O.OC(O)O"]
["96848783","[Be].[C+]#C[N-]"]
["46288153","[3H]P[3H]"]
["91365901","OC(O)O.[Fe]"]
["53565311","[3H]P[3H].[U]"]
["192584562","[10CH3]O"]
["172005105","[3H]P[3H].[W]"]
["97896548","[C+]#C[N-].[Na+]"]
["96995509","[C+]#C[N-].[Mg+2]"]
["187379384","F.OC(O)O"]
["175671486","[106Zr]"]
["33671180","[O-][125I+2]([O-])O"]
["175228623","N[Se]O"]
["50573013","C[125I]"]
["175584423","N[Se][Se]"]
["51459932","O=[9CH]F"]
["149550162","[3H]P([O])[O]"]
["192341213","Cl.N[Se]N"]
["170677804","N[Se]N"]
["100891720","C[Se]N"]
["185864123","N[Se][Se]N"]
["78266390","N[Se]=O"]
["79619080","[166Au]"]
["90997337","Cl[Ge]1(Cl)O[Ge](Cl)(Cl)O[Ge](Cl)(Cl)O1"]
["175672533","[234Ra]"]
["96848978","[O][As]1CC1"]
["186004167","O[Si]1(O)O[Si]1(O)O"]
["185626161","[O-][As]([O-])Cl"]
["34113707","[14CH2]=C(F)F"]
["96979548","[O][As]1C=C1"]
["174097902","[B][B-]([B])([B])[B]"]
["175672092","[164Re]"]
["91371083","SC(S)[Se+]"]
["1099127","[O-]SS[O-]"]
["79507014","[123Co]"]
["110858689","Cl[C]1[SiH2][SiH2]1"]
["166690546","O[I+2](O)O"]
["100927687","C[74Ge](C)(C)Cl"]
["97768624","[C+]C#[C+]"]
["175672192","[174Pt]"]
["110961417","Br[C]1[SiH2][SiH2]1"]
["96944515","[SiH2]1[SiH2]c2c1c1c(c3c2[SiH2][SiH2]3)[SiH2][SiH2]1"]
["100927688","C[74Ge](C)(C)[37Cl]"]
["83500708","IC1=C(I)C1"]
["175671528","[111Ru]"]
["175672198","[175W]"]
["175670967","[32Ne]"]
["185923423","B[SH](B)(B)=O"]
["78478046","O=[SH](Cl)(Cl)Cl"]
["100850390","[CH2]B[CH2+]"]
["161687280","C[Se](C)=[Se]"]
["171797304","C=[Se](C)[Se-].[Na+]"]
["97918402","C[Se](C)=S"]
["78476198","O=[SH](Cl)(Cl)[SH](=O)(Cl)Cl"]
["34273593","[232U]"]
["56545274","[202Pb]"]
["60174855","C[Se](C)C.[As]"]
["62129882","C[Se](C)C.P"]
["79783846","[60Ar]"]
["79915036","[Cl-].[Cl-].[Te+2]"]
["145294302","O=[SH][SH]=O"]
["57570553","Cl[I](Cl)(Cl)Cl"]
["175671507","[108In]"]
["79215867","[NH-]CC[NH-].[Te+2]"]
["172859824","[Se]=P([SeH])([SeH])P(=[Se])([SeH])[SeH]"]
["101725895","[AsH2]P[AsH2]"]
["79000985","C[O-].C[O-].[Te+2]"]
["79445934","[O-2].[Te+2]"]
["98014841","[32ClH]"]
["53103947","[B]1NN1"]
["175671686","[126Cs]"]
["78960063","[F-].[F-].[TeH2+2]"]
["67990535","[2H]C([2H])C([2H])[2H]"]
["48210710","[181Hf]"]
["78274163","N#C[O-].N#C[O-].[TeH2+2]"]
["97641662","PB(I)I"]
["185518053","C1#C[SiH2][SiH2]C#C[SiH2][SiH2]C#C[SiH2][SiH2]1"]
["46476366","C1#C[SiH2][SiH2]C#C[SiH2][SiH2]1"]
["79015274","[Cl-].[Cl-].[TeH2+2]"]
["79921356","O=N[O-].O=N[O-].[TeH2+2]"]
["79794459","[H+].[TeH2+2]"]
["79607512","N.[2H]C([2H])C"]
["167535696","[109SiH4]"]
["59033464","N=[Te]=N"]
["34209012","[109Pd]"]
["34011266","[150Eu]"]
["33429269","O=S(=O)=S(=O)=O.[Na+].[Na+]"]
["185736728","CP(C)[NH3+]"]
["26786919","CB(F)F"]
["67053955","C[N+](C)=N"]
["175973940","[F+]C([F+])[Si+]"]
["168733713","CC(N)(N)C(C)(N)N"]
["190313474","CB(F)F.CB(F)F"]
["91318664","C=C[Si+]"]
["180803883","[O-][Si](Cl)(Cl)Cl"]
["198620715","C[N+](C)=N.[Br-]"]
["183153645","N1[AsH]N[AsH]1"]
["79039568","[132C]"]
["175672134","[168Re]"]
["27304976","O1[Ge]23O[Ge]12O3"]
["194515991","C=[Si].[Sb]"]
["53172709","[75Ge]"]
["79776268","N1=[PH2]N=[PH2]N=[PH2]1"]
["161705779","C=[Si].[Sn]"]
["79074725","[2H][18O]"]
["96701891","C1=C[SiH2][SiH2]1"]
["91552942","CC(C)=[Se+]"]
["79065310","[2H]C[8BH2]"]
["175671825","[140I]"]
["193520956","[Fe+3].[Rh+3]"]
["44250282","[Cl-].[F-].[Fe+3]"]
["158337756","[Cd+2].[O-2].[Rh+3]"]
["67810920","[Fe+3].[Na+].[Na+]"]
["173329004","[Al].[Fe+3]"]
["49986395","[Cl-].[Rh+3]"]
["52722053","[Ag+].[Fe+3]"]
["650279","[Fe+3].[Fe+3].[O]"]
["654935","O.O.[Fe+3]"]
["46004454","[Co+2].[Fe+3].[K+]"]
["51562910","[Fe+3].[Fe+3].[O-2]"]
["68421050","[Fe+3].[Sb]"]
["50045505","[182Hf]"]
["64547835","C1=C[At]=[At]C=C1"]
["100927950","C1=P[SiH2]1"]
["190128594","[BH3-]I"]
["79194812","[BH3-]C(C)(C)C.[Na+]"]
["34629098","[127Cs]"]
["24054910","N1NP2NNP1NN2"]
["79791941","[BH3-]C(C)(C)C.[Li+]"]
["192017639","[BH3-]I.[Na+]"]
["175671639","[121La]"]
["79194350","[BH3-]C(C)(C)C.[K+]"]
["178078471","[BH3-]C(C)(C)C"]
["175672611","[252Lr]"]
["168346414","[N-]1SSS1"]
["91504477","[B]1C#C1"]
["101723552","O=[As](I)(I)I"]
["62688082","S=[As](I)(I)I"]
["78191677","I[As](I)(I)I"]
["79587720","[2Ni]"]
["91243204","[Te]=[As](I)(I)I"]
["161715895","O=[As]([O-])([O-])I.[Ag+].[Ag+]"]
["161715896","O=[As](O)(O)I"]
["193417775","O=[As]([O-])([O-])I.[Ag]"]
["175672331","[196Os]"]
["91119420","[O][Si]#[As]"]
["175672131","[168Hf]"]
["163563390","[41K+]"]
["168465306","[As]1C2[As]C3[As]C1[As]C([As]2)[As]3"]
["79052979","[7O]"]
["64702841","[B-]O.[Na+]"]
["97271662","c1c2cc1c1cc2c1"]
["44239706","[Ac].[B-]O.[Na+]"]
["175672444","[214Th]"]
["49677809","C=C(O)I"]
["174872369","OB(O)O.[B-]O.[Li+]"]
["62457311","[B-]O"]
["174862091","SP=PS"]
["175672155","[170Os]"]
["111026681","[Al].[Sm+3]"]
["91531613","[CH3-].[CH3-].[Sm+3]"]
["175730888","[O-][Si]([O-])([O-])O.[Sm+3]"]
["175699618","[Na+].[O-][Si]([O-])([O-])[O-].[Sm+3]"]
["177998309","[O-]B([O-])[O-].[Sm+3]"]
["175775981","[O-2].[Sm+3].[W]"]
["182906789","O[As](O)(F)(F)F"]
["192483861","[Nd+3].[Sm+3]"]
["193083472","[Ni+2].[O-2].[Sm+3]"]
["79920348","[As-3].[Sm+3]"]
["192236443","[O-2].[Pt+2].[Sm+3]"]
["84168080","[CH2].[Ru+]"]
["79510735","[CH2].[CH3]"]
["170679382","[CH2].[CH3].[In]"]
["178080335","[CH2].[CH2].[Th]"]
["161727793","[CH2].[O].[V]"]
["78557904","[CH2].[Pd]"]
["44012883","[CH2].[Hf+2]"]
["79049143","[CH2].[Na+].[Na+]"]
["65813793","[Al].[Al].[CH2]"]
["79135088","[Cl-].[O].[Ru+]"]
["171058438","[CH2].[In].[In]"]
["79735520","[CH2].[Fe].[O]"]
["79101276","[127Cr]"]
["164047462","N#S1=PN1"]
["78255434","[Pd+4].[Te-2].[Te-2]"]
["69665360","FS[S]"]
["78257161","[Pd+4].[Se-2].[Se-2]"]
["62044368","CC[Si-]"]
["79224666","[Pd+4].[S-2].[S-2]"]
["110838863","IC1B=B1"]
["33708561","[Pd+4]"]
["33494722","Cl.[Cl-].[Pd+4]"]
["154702194","[NH-]CC[NH-].[NH-]CC[NH-].[Pd+4]"]
["51463206","C=[PH+]C"]
["169007890","[101Fe]"]
["61972869","[Ca+2].[O-]I"]
["175672042","[160Hf]"]
["79785890","N=[P](S)S"]
["156275374","[La+].[O-]I"]
["172789746","[Bi+].[C-]#[O+].[O-]I"]
["197061216","[63Ni+2].[Cl-].[Cl-]"]
["25219481","Br[C](Br)Br"]
["32221957","[Na+].[O-]I"]
["48289047","N=P(=N)Br"]
["194203663","[Cs+].[O-]I"]
["78276753","[O-]I.[O-]I.[Zn+2]"]
["33859158","[155Tb]"]
["192721034","O=S.[Co].[Cu]"]
["91224016","O=S.[Al].[Ba]"]
["79819508","O=S.O=S.[K+]"]
["176067725","O=S.[Fe].[Ga]"]
["175544865","O=S.[Hg].[Zn]"]
["78291007","O=S.[Ti].[Zr]"]
["193075103","O=S.[Cu].[In]"]
["175988336","O=S.[Re]"]
["192298264","O=S.[Ba]"]
["174772206","C.NN.O=S"]
["173175363","O=S.[Cl-].[IH2+]"]
["79152993","[110B]"]
["161665843","[CH]NO.[Ni]"]
["193310409","C1=CP1.[Zn]"]
["55249974","[CH]NN.[W]"]
["78989172","[I-].[TeH4+]"]
["163420589","SP(S)(S)(S)S"]
["182952773","OP(O)(O)(S)S"]
["176155997","FI(F)F.S"]
["78449149","[SH-].[TeH4+]"]
["78445026","[Pb].[SH-].[TeH4+]"]
["79840514","FI(F)F.FI(F)F.O"]
["79038784","CC.FI(F)F"]
["175672684","[266Mt]"]
["59275881","[2H]P.[U]"]
["177162534","[2H]P.[2H]P.[Sc]"]
["79465001","[104Co]"]
["171965784","[2H]P.[Y].[Y]"]
["54748908","[2H]P"]
["192785283","C.[2H]P"]
["78339734","[187In]"]
["48910130","[2H]P.[Y]"]
["49238425","[2H]P.[V]"]
["172115783","[2H]P.[Hf]"]
["194757953","[2H]P.[CH3-].[V]"]
["33356840","[130IH]"]
["79046677","O1C2OC12.[O]"]
["63354209","[2H]N=[N-].[K+]"]
["100441003","[Mn+2].[N-]=N.[N-]=N"]
["97706499","[2H]C1([2H])C([2H])([2H])C1([2H])[2H]"]
["172032495","[2H]N=[N-].[Y]"]
["194579611","[N-]=N.[V]"]
["150413629","[2H]C=[19BH2-]"]
["78687382","[Cu+].[N-]=N"]
["91633979","[Ge].[Si]#[Ge+]"]
["170461494","F[B-](F)(F)F.F[Cl+]F"]
["168472516","[B-]1P[B-]P1"]
["33414696","[112Pd]"]
["60812605","NC(N)=C(N)N"]
["45668548","C=C(N)O"]
["76306058","C=C(N)N.I.I"]
["78116976","NC(N)=C(S)S"]
["26490839","[N]=C(N)N"]
["79387568","C=C(N)N.Cl"]
["47613496","N[C](N)[SeH]"]
["48313569","[CH2+]C[CH2+]"]
["96518516","N/C([S-])=C(/N)[S-]"]
["25301386","C=C(N)N"]
["78146938","[112Si]"]
["79049083","[22CH]"]
["1102175","[C+]#[O+]"]
["91248507","N=[As](N)N"]
["178209586","[C+]C=[CH-].[Rh]"]
["174664790","C[As]S"]
["79919623","[C+]C=[CH-]"]
["96983203","[C+]C=C"]
["174845642","[98Zr]"]
["78963473","B1=NN1"]
["100856286","C[CH+]O"]
["147821689","[14CH3]CO"]
["175672329","[195Rn]"]
["79269304","[AsH3].[AsH3]"]
["78147077","O.[AsH3]"]
["174869137","O=C=O.[AsH3].[HH]"]
["83215927","[AsH3].[Cl-]"]
["174427574","[AsH3].[Co].[Ni]"]
["174444617","[AsH3].[Mn].[Zn]"]
["174915021","N.N.[AsH3]"]
["78649376","P.[AsH3].[Ga]"]
["79820783","[AsH3].[In]"]
["174633564","[AsH3].[Au].[Cu]"]
["79735125","[AsH3].[Ge].[Se]"]
["177462389","[AsH3].[HH]"]
["79074743","[128Ar]"]
["91066281","Br[Si]#[Si][Si]#[Si]Br"]
["173009445","OB(O)[P+](B(O)O)(B(O)O)B(O)O"]
["79412731","C[AsH]O"]
["79964420","[CH2+][PH-](=O)(O)O"]
["173627688","b1boo1"]
["171468749","NP=S(I)I"]
["34556796","[244Cm]"]
["101722914","B1=[SiH][B+][B+][SiH]=B1"]
["79546196","CI(C)O"]
["27303844","[61Co]"]
["78241108","O=[As]([O-])([O-])[O-].[AsH3+3]"]
["79130091","[AsH3+3].[I-].[S-2]"]
["163543063","[94Ni]"]
["45557226","[18O]=C([18O-])[18O-].[K+].[K+]"]
["79444891","O=P([O-])([O-])[O-].[AsH3+3]"]
["45611450","FB(F)B(F)F"]
["79921843","[AsH3+3].[O-][As]([O-])([O-])=S"]
["79786073","F.[AsH3+3]"]
["34329158","CC(C)=[18O]"]
["57882295","[18O]=C([18OH])[18OH]"]
["79452129","[AsH3+3].[O-][As]([O-])[O-]"]
["79057607","[8Cr]"]
["91180368","[CH2+]CF"]
["67105969","C[CH+]C"]
["83986080","C#C[CH2+]"]
["174798849","C[Si](C)(C)N.C[Si](C)(C)N"]
["175027295","CC1(C)[B]C1(C)C"]
["191690387","C[CH+]C.[CH3-]"]
["193961494","C=C.C[CH+]C.[B-]"]
["51823095","[3H]N([3H])[3H]"]
["101033449","C[CH+]N"]
["190672089","C.C[CH+]C"]
["175670962","[31Mg+2]"]
["79465367","[107Co]"]
["24868928","IC#I"]
["78713876","P=PC#I"]
["64021027","[2H]P([2H])O"]
["56473056","[O-2].[O-2].[Tb+4]"]
["91035432","N=[O+]Br"]
["78428889","P=c1c2c1B2"]
["79621364","N=[O+][NH-]"]
["78280559","IC#I.[Cu].[Zn]"]
["34273072","[Tb+4]"]
["79089375","[O-][Si]([O-])([O-])[O-].[Tb+4]"]
["173211732","[B]=I[B+]"]
["166672458","[Mo+4].[SH2-2].[SH2-2]"]
["175671941","[151Yb]"]
["166672443","[Fe+2].[SH2-2]"]
["54810660","[Mo+4].[O]"]
["190971965","[K+].[Mo+4].[S-2]"]
["190409493","[Li+].[Mo+4].[S-2]"]
["163565741","[Na+].[Na+].[SH2-2]"]
["160430374","[Mo+4].[Ti+4].[V]"]
["23442005","[Mo+4].[S-2].[S-2]"]
["79273289","[SiH2]O[SiH2][SiH2][SiH3]"]
["166672491","[K+].[K+].[SH2-2]"]
["157901562","[Mo+4].[Ti].[V]"]
["78374795","[146Pb]"]
["177817106","[CH+]S"]
["181377232","[C]=[SiH2].[Ti+2]"]
["79122818","C[GeH+]C.[Cl-]"]
["24908303","[CH2][N+](C)(C)C"]
["22501454","[Br-].[O-][NH+](F)F"]
["101676688","F[NH+](F)F"]
["79057371","[O][NH+]([O-])F"]
["97623482","C[As]=N"]
["52479232","N#C[I+]C#N"]
["181964657","[C]=[SiH2].[Hf+2]"]
["78376335","[C]=[SiH2]"]
["175671259","[78Cu]"]
["175671275","[80Zn]"]
["65330309","[C+]#C"]
["91661334","C1#[Ge]N1"]
["97030315","[C+]#C.[Pb].[Pb]"]
["32734479","[109Cd]"]
["45981383","[139Pr]"]
["54413924","[9Li+]"]
["49675655","[2H]C#[C+]"]
["175671019","[40S]"]
["79334680","[3H][C]"]
["90972930","n1nn2n3n1n23"]
["100856285","[CH2+]N"]
["91155811","n1nn2n1n1nnn21"]
["79633249","[102V]"]
["175671395","[95Pd]"]
["96528712","[2H][C+]([2H])N"]
["175672185","[174Ho]"]
["100542267","[3H]NS"]
["79527009","CC.NS"]
["67305424","Cl.Cl.NS"]
["91131135","F.NS"]
["172704450","Br.NS"]
["173287643","NS.[H-].[Na+]"]
["12120953","[30SiH4]"]
["79699600","NS.[Na+]"]
["150425620","CN.NS"]
["192586874","NS.P.[K+]"]
["97778316","[GeH]1=[GeH][GeH]=[GeH][GeH]=[GeH]1"]
["79694535","[5Mo]"]
["91250361","ClC=[Br+]"]
["51672873","[2H]C=[C]"]
["97156479","[2H]C([2H])=[C]"]
["91373997","F[Si](F)F.F[Si](F)F.[Hg]"]
["78409666","CC=[Br+]"]
["119329442","[S-][NH+]1CC1"]
["101722913","B1=[Si]=B[SiH2]1"]
["33241723","F[Si](F)F"]
["91456007","F.F.F[Si](F)F"]
["47820077","F[Si](F)=[Si](F)F"]
["44131273","F[Si](F)F.F[Si](F)F.[Co]"]
["61330509","[17B]"]
["174055464","N[SiH](N)N.[SiH4]"]
["96756261","[74Ge-]#[Se+]"]
["79421869","[SiH3][GeH]1OO1"]
["48852983","N[AsH]Cl"]
["27308199","[90Mo]"]
["34464110","[197Hg]"]
["101277740","[GeH]12[GeH]3[GeH]1[GeH]23"]
["97552662","[S+]#[74Ge-]"]
["83218069","[128Sn].[H].[H]"]
["100876586","C1[GeH]2C[GeH]1C2"]
["101304875","[CH2+2]"]
["177510282","[186Lu]"]
["63666302","C[P-]"]
["196555497","[F+]=[Si+]C([Si-])[Si-]"]
["175671988","[156La]"]
["78324815","C[P-].[Na+].[Na+]"]
["25616657","CN(C)[O]"]
["79421231","C[P-].[Li+].[Li+]"]
["79421136","C[P-].[K+].[K+]"]
["97622177","CN(C)[SeH]"]
["79445862","[7Ni]"]
["34017419","[2H]Cl.[2H]N([2H])[2H]"]
["185720884","ClNCNCl"]
["91301049","[Te][As]([Te])([Te])=[Te]"]
["91014079","IC#[N+]I"]
["66070353","[2H]Br.[2H]N([2H])[2H]"]
["185383987","[Os+5]"]
["193991754","N.[2H]N[2H]"]
["50764075","[2H][15N]([2H])[2H]"]
["194043894","N.N.[2H]N([2H])[2H]"]
["49150113","[2H]N[2H]"]
["91394492","C12C3C1N23"]
["27305036","[56Mn]"]
["79662895","[O+5][PH5-].[O-][Si]([O-])([O-])[O-]"]
["56563254","[SiH]1=[SiH][SiH2][SiH2]1"]
["63226334","BrB(Br)I"]
["91506800","[Si]1#[Si]C12[Si]#[Si]2"]
["171912797","[B][B-]([B])=[B].[K+]"]
["45492772","[B][B-]([B])=[B]"]
["51158411","[104Tc]"]
["63265873","POP"]
["172155512","[N-]=NF"]
["52287497","[18O]=C=S"]
["173366929","[N-]=NF.[Ti]"]
["161618222","C[GeH](C)N"]
["79925717","[N-]=NF.[Ti+]"]
["56708084","[18O]=C=[18O]"]
["68728629","[228Pa]"]
["64424149","CN=[N-]"]
["54766929","[18O]=[13C]=S"]
["175148747","[N-]=NN=[N-].[Ti+2]"]
["48456442","[37SH2]"]
["172767954","C.[Se]=[SeH2]"]
["46271195","C#C[SeH]"]
["175832913","Cl.[Se]=[SeH2]"]
["172688256","[Se]=[SeH2]"]
["57868400","[14CH3][14C]=O"]
["78962052","F[Se]"]
["913431","[Mg+4].[OH-].[OH-]"]
["175672513","[230Fr]"]
["79071107","CP(C)C.[Ag]"]
["91630482","CP(C)C.CP(C)C.[Au+]"]
["97510396","CP(C)[13CH3]"]
["98416138","CP(C)C.CP(C)C"]
["33772127","CP(C)C.[B]"]
["192201961","CP(C)C.CP(C)C.[Fe]"]
["174681364","CP(C)C.[CH3-].[Co]"]
["78123312","CP(C)C.[Ag+].[Cl-]"]
["91415519","CP(C)C.CP(C)C.[Pt]"]
["157498590","CP(C)C.[Cu]"]
["78216849","Br.Br.CP(C)C"]
["27306136","[123Xe]"]
["154899706","C1CS12CC2"]
["178860215","C=[N+](B(O)O)B(O)O"]
["79784165","IN(I)I.[Pt]"]
["78643629","ClN(I)I"]
["175714833","FN(F)I"]
["78595841","[18SH2]"]
["148620823","FN(I)I"]
["55591059","CN(C)I"]
["79487205","NN(I)I"]
["96949141","[SiH2]=[GeH2]"]
["185009338","C1O[AsH]CO[AsH]1"]
["33543970","[105Rh]"]
["190204085","F.PI"]
["61555580","PI.[Y]"]
["168233258","PI.S.S"]
["57547491","PI"]
["62416269","PI.[V]"]
["190785064","CC.CC.PI"]
["25263373","C1#C[SiH2][SiH2]1"]
["97698158","[F+]=[si]1c#c1"]
["193084028","P.P.PI"]
["171873614","PI.[W]"]
["175390850","PI.[GeH4]"]
["78966907","[84SH2]"]
["185008310","O=[35P]([O-])([O-])[O-]"]
["61412345","[CH]C(C)(C)C.[Ta]"]
["60250670","[2H][B-][2H]"]
["25249363","[C]1NN1"]
["26646019","[CH]C(Cl)(Cl)Cl"]
["78239654","O=CP.[Pd]"]
["167236152","[CH]C(C)(C)C.[V+2]"]
["192970703","[CH]C(C)(C)C.[W].[W]"]
["185008311","O=[35P](O)(O)O"]
["79572030","B1CBN1"]
["167167999","[CH]C(C)(C)C.[Mo]"]
["175672633","[256Db]"]
["97647878","[O]C=[O+]"]
["172152452","C[P-]P.[K+]"]
["70180820","C[P-]C.[CH3-].[Zn+2]"]
["76755023","C[P-]Cl.[Y]"]
["79300948","C[P-]C.[Y+]"]
["199193383","[3H][Si]S"]
["79566512","S=S1(=S)CC1"]
["32878524","[Se]CCC[Se]"]
["173712173","N=[N+]=P"]
["53382263","C[P-]Cl"]
["76692543","C[P-]C.[V+2]"]
["78124112","[122Ar]"]
["168664328","[F+]=[Si-]O[Si-]=[F+]"]
["66919580","B#[As](C)C"]
["79440014","[5Fe]"]
["166520920","[BH+][SiH3].[Mo-]"]
["78248786","[5Fe].[Sm]"]
["175671120","[57Zn]"]
["163954277","[18O]=N[18OH].[Na+]"]
["172031531","F[B]I(I)I"]
["163954278","[18O]=N[18OH]"]
["175671176","[66Co]"]
["51802983","[2H][B-]"]
["65219641","[CH].[Cl-].[W+]"]
["50167143","[2H][B-].[K+]"]
["81522855","[I-].[NH].[W+]"]
["79947778","[O].[PH2-].[W+]"]
["79301817","[Br-].[W+]"]
["79073309","[SeH-].[W+]"]
["60241686","[F-].[W+]"]
["79502590","[H].[NH2-].[W+]"]
["79081520","[PH2-].[W+]"]
["59324973","[C]C.[Cl-].[W+]"]
["175671092","[53Sc]"]
["79268142","C[As].Cl.Cl"]
["56085760","N[N-]N"]
["57132741","C1PCP1"]
["91093664","C[As].[Ga]"]
["68546907","C[As].[I-].[I-]"]
["54717333","C[As].[Cl-].[Cl-]"]
["63194505","C[As].[Br-].[Br-]"]
["1101533","BB(B)B"]
["161481782","N[N-]N.[Li+]"]
["175672282","[187Tl]"]
["79268031","Br.Br.C[As]"]
["32917944","[106Rh]"]
["167341210","[2H].[2H].[Mo]"]
["184765169","C[11C](F)(F)F"]
["161719302","[2H].[Sn]"]
["172733403","CC(F)(F)F.CC(F)(F)F.S"]
["172148362","[2H].[S].[Y]"]
["196527896","[2H].[Cl-].[Cu+]"]
["190304469","CC(F)(F)F.[Cl-].[Cl-]"]
["171734251","[2H].[Sb]"]
["79677269","[15N].[2H]"]
["54065335","[2H].[2H].[V]"]
["99383682","[2H].[Cl-].[Rh+]"]
["1106037","[Lr]"]
["63380572","[OH2+]CCl"]
["47182796","OC[OH2+]"]
["24182133","[I-].[I-].[Tm+2]"]
["100552521","[Lr].[O]"]
["25814725","C1=C[N]1"]
["26679658","C1=CN=N1"]
["61904749","[Si-]=[O+]I"]
["101157226","[C+]=[SiH3-].[SiH3].[Sn]"]
["164526044","[S+][SiH2-]1S[SiH2-]([S+])S1"]
["96761377","[Tm+2]"]
["97189049","C[P](F)(F)F"]
["378459","[131I-]"]
["175671435","[100Sr]"]
["49845732","[131I-].[Ag+]"]
["404868","[131I-].[Na+]"]
["193785845","C[10C]#N"]
["79451818","[243Sm]"]
["172029458","[131I-].[I-].[Na+]"]
["186162527","C[As](C)[As](C)[As](C)C"]
["96756720","[2H][17O]C"]
["91551736","C1[Si]23C[Si]12C3"]
["79153029","[10P]"]
["34341077","[131I-].[K+]"]
["79578270","[112Mn]"]
["79687959","[101Ar]"]
["78115818","[SiH3][OH+][SiH3-]"]
["173529839","[B]C1B=B1"]
["32818400","[134Cs+]"]
["79320676","[C+]1=[SiH2-][SiH2]1"]
["190485287","Cl[Se](Cl)Cl"]
["91033914","[Te]P([Te])([Te])=[Te]"]
["42201012","[Si]1#[Se][Si]#[Se]1"]
["189875062","[2H]P[O].[Co+2]"]
["42766907","[134Cs+].[Cl-]"]
["175671787","[136Sn]"]
["175671554","[114Mo]"]
["102098974","[Se-][PH2+][SeH]"]
["79482170","[Np+4].[O-2].[O-2]"]
["175670873","[8B]"]
["79476772","[119Co]"]
["173799271","N=C([S-])[S-].[Mo].[Mo]"]
["79120390","[2H]C[O]"]
["175672222","[178Pt]"]
["33341734","[123Te]"]
["110914558","N=C([S-])C(=N)[S-]"]
["64038632","C=C([S-])[S-]"]
["25819034","[2H]C([2H])([2H])[O]"]
["192130552","I.N=C([S-])[S-].[Cl-]"]
["13188958","[107Ru]"]
["79804649","[30Ni]"]
["79362417","C=C([S-])[S-].[Na+].[Na+]"]
["175670927","[24Ne]"]
["48198454","P=NCl"]
["175672613","[253No]"]
["78533555","S[SH](S)(S)(S)S"]
["79122619","[Se]=P([SeH])([SeH])[SeH]"]
["79576095","[96W]"]
["55769610","[99Tc+3].[O]"]
["65768687","[O].[O].[Tc+3]"]
["64450280","[2H][I-]F"]
["62239647","[99Tc+3].[O].[O]"]
["61798503","[2H][I-]F.[K+]"]
["67938779","[O].[Tc+3]"]
["195287164","[BH3-]B=BB=B[BH3-]"]
["32578532","[99Tc+3]"]
["168513903","[CH+]=[Si]=[N-]"]
["56225800","[CH2].[Tc+3]"]
["34324770","[216Bi]"]
["175672091","[164W]"]
["47877151","O1OOOOO1"]
["53261137","O=C([Se])[Se]"]
["78209606","CC=[14CH2]"]
["79732109","O1OOOOOOOOOOO1"]
["59145824","[Se]C([Se])=[Se]"]
["176123373","O1OOO1.[Li+]"]
["189897409","OI(#[Si])I"]
["32143325","[97Ru]"]
["51246829","[252Fm]"]
["175672256","[183Pt]"]
["79733036","O1OOOOOOOOOOOOOOOOO1"]
["33327024","[18O]=[Si]=[18O]"]
["34128692","[172Tm]"]
["101395079","[1BH3]"]
["59335494","C[Si]#[N+][NH-]"]
["34633839","[207Bi]"]
["43199047","[89Kr]"]
["79153742","[45C]"]
["175671297","[82Nb]"]
["100887900","CC(=[18O])CC(C)=[18O]"]
["60668182","C[Si]PC"]
["33739261","CCC(C)=[18O]"]
["100887901","C[13C](=[18O])C[13C](C)=[18O]"]
["32283601","[127Te]"]
["174674689","O=[Te].[Cd].[Te]"]
["78983752","[As].[Te]"]
["173534271","[Ag].[GeH3].[Te]"]
["65934832","[Eu].[Re].[Te]"]
["175818410","[Cu].[Sn].[Te]"]
["53685839","[Te].[Te].[Zr]"]
["78381360","[Bi].[Sb].[Te]"]
["79173891","[GeH4].[Te].[Ti]"]
["79821735","S.[Te]"]
["173122189","N.[Te]"]
["176196085","[Ir].[Nb].[Te]"]
["79354489","[15SH2]"]
["79124218","[BH3-]N.[BH3-]N.[Mg+2]"]
["170660206","BN.[BH3-]N"]
["170534616","[BH3-]N.[Na+]"]
["78266075","[PH4]N(S)S"]
["79163943","CN(C)[PH4]"]
["1100745","[123Sb]"]
["101137672","[BH3-]N"]
["48618500","[126Xe]"]
["175671976","[154Lu]"]
["164559458","[TeH]c1c([TeH])c([TeH])c([TeH])c([TeH])c1[TeH]"]
["79035512","[BH3-]N.[Li+]"]
["175671570","[115Te]"]
["79488642","OC[AsH2]"]
["64867563","CC[AsH2]"]
["171998021","[B][P-][B].[K+]"]
["175671771","[134Pm]"]
["79096662","FC[AsH2]"]
["175671702","[128In]"]
["171998022","[B][P-][B]"]
["97096569","SC([SeH])C(S)[SeH]"]
["47905227","[B][P-]P"]
["79762605","[CH2]C[AsH2]"]
["96984826","[CH2+][C+]C"]
["175671033","[42Sc]"]
["78103614","[138Mo]"]
["26411248","C=S(C)C"]
["24834282","C=S(=C)=O"]
["110856968","[CH-]=C1C=[NH+]1"]
["69465696","[As-].[Fe+3].[S-2]"]
["79254556","S[N]S"]
["62818505","BNNB"]
["26523949","C=S(=O)=O"]
["42532577","C=S(=C)=C"]
["78059314","C=S(O)O"]
["78177580","C=S(F)F"]
["175672358","[200Rn]"]
["79781865","[9CH]"]
["172075156","[CH-]=NS.[K+]"]
["96904581","S1[SiH]2S[SiH]3S[SiH]1S[SiH](S2)S3"]
["175672168","[172Dy]"]
["100992249","C[P+](C)(C)C.[Au-]"]
["32028384","[Au-].[C]#N.[C]#N"]
["231239","[Au-].[C]#N.[N]"]
["79212424","[Au-].[BH2+]"]
["1096899","[Au-]"]
["96930515","C1[N+]N1"]
["175671409","[97Sr]"]
["100793199","C[C](C)O.[Ti]"]
["174782714","[11CH4].[18OH2]"]
["150399086","[2H]C=[12BH2-]"]
["82227060","C[C](C)O.[Ag]"]
["177050043","C[C](C)O.[Al]"]
["171859959","[N]C(=[N])[S].[Sn]"]
["79297519","N[FH+]"]
["25886351","C[C](C)O"]
["49441617","CP(C)(C)(C)P"]
["78959871","[N]C(=[N])[O]"]
["44765919","CP(C)(C)(C)SSP(C)(C)(C)C"]
["1104181","[As]#[As]"]
["78871694","[Cl-].[Fe+].[O]"]
["177077355","[Cl-].[Fe+].[S]"]
["172222860","[Cl-].[Fe+].[Fe]"]
["161923822","S[As].[Fe+]"]
["79246594","[Fe+].[Fe+].[S-2]"]
["82255515","[F-].[Fe+].[S]"]
["172441634","[C-]#N.[Fe+].[Fe]"]
["79115620","[Fe+].[Fe+].[O-2]"]
["79037641","[Fe+].[NH2-]"]
["78644270","[F-].[Fe+].[O]"]
["78255065","[CH3].[Cl-].[Fe+]"]
["175672675","[265Rf]"]
["164340673","[Cs+].[Cs+].[O-]B[O-]"]
["79143606","[O-]B[O-].[Zn+2]"]
["79605886","[Mg+2].[O-]B[O-]"]
["78706523","[O-]B[O-].[PH4+].[PH4+]"]
["190572196","Cl[SiH](Cl)Cl.[Na+]"]
["195377591","Cl[SiH](Cl)Cl.[Li+]"]
["79545519","[O-]B[O-].[O-]B[O-].[Ru+4]"]
["78649344","Cl[SiH](Cl)Cl.[H]"]
["79443486","[O+2].[O-]B[O-]"]
["79032082","Cl[SiH](Cl)Cl.N"]
["190268098","Cl[SiH](Cl)Cl.[SiH3]Cl"]
["64166756","[135La]"]
["83240387","[134TeH2]"]
["175672661","[261Sg]"]
["168622650","[Te]=C1C(=[Te])C(=[Te])C(=[Te])C(=[Te])C1=[Te]"]
["49136857","[SiH3]N([SiH3])N([SiH3])[SiH3]"]
["53728082","[174Lu]"]
["100188637","[B+]C[CH-][CH-]C[B+]"]
["25910594","C[Si]=O"]
["175672243","[181Ir]"]
["63264833","S1SC12SS2"]
["65586610","[O+]1=[Ge-][O+]=[Ge-]1"]
["193791444","CC#CC.CC#CC.CC#CC"]
["26788929","CC#CC.CC#CC"]
["65234572","[237Am]"]
["78168792","[128Ti]"]
["26180103","ClC(Cl)OC(Cl)Cl"]
["46800775","C[13C]#[13C]C"]
["66926","CC#CC"]
["56627758","[O+]1=[Ge-][O+]=[Ge-][O+]=[Ge-]1"]
["167145616","[I-2].[Sm+2]"]
["175671115","[56Zn]"]
["99329626","C1=N[N-]1.[Zn]"]
["175671753","[133Cd]"]
["78545782","CP(C)#P"]
["62820314","CC(C)([NH3+])[NH3+]"]
["32291746","NP([O-])[O-]"]
["78230340","B[CH2]"]
["78812073","B[CH2].B[CH2].[W]"]
["90957233","NN(N)N(N)N"]
["148989619","[76SH2]"]
["91054744","C1=N[N-]1.[Na+]"]
["65396990","NP([O-])[O-].NP([O-])[O-]"]
["175672084","[164Gd]"]
["163563376","[132Ba]"]
["49211448","C1N=[Si]=N1"]
["163455943","O=[SH]I"]
["51854689","ClN=[Cl+]"]
["60556520","[18O]=[15N][18O-].[Na+]"]
["42681896","[18O]=[15N][18O-]"]
["158347008","C1N=N1.C1N=N1"]
["152745739","[18O]=N[18O-]"]
["32090743","[110Ag]"]
["79801844","[149Rh]"]
["1104700","C1N=N1"]
["78157750","[43Ar]"]
["65226587","CN(C)[Se]"]
["149843999","[CH2+]CC[NH3+]"]
["58055031","[BH+]P(C)C"]
["186006635","[2H]P1N=I1"]
["168653222","[Se]/C=C\\[Se]"]
["79638292","O=C[Se]"]
["175672277","[186Bi]"]
["48222970","C[B-]#[Si+]"]
["79808853","C=C[Se]"]
["79486063","ONBr"]
["193992647","NN(N)I(N)N"]
["175671206","[71Co]"]
["161656980","[2H][Ge]"]
["170933800","[B]P[B].[Pt]"]
["54921670","[GeH]"]
["26038885","I[C](I)I"]
["185627063","I[C](I)I.[Hg]"]
["66932455","Cl[Si]1CC1"]
["193608128","C=C[NH-].C=C[NH-]"]
["78096308","C[AsH]F"]
["78970235","[GeH].[SiH4]"]
["176421457","[C-]#N.[GeH]"]
["167549752","[111Ni]"]
["175672233","[179Tl]"]
["91135699","B1=BN=N1"]
["175671861","[143Tb]"]
["27307232","[90Sr+2]"]
["91176932","C12C3C1[Si]1C2C31"]
["62989558","[90Sr+2].[Cl-].[Cl-]"]
["96801596","[2H][C]O"]
["78232001","C#C[SiH2]"]
["79077937","N#C[SiH2]"]
["79451726","[174Dy]"]
["79104383","[CH2]O.[Pd]"]
["190362363","[CH2]O.[H].[Sn]"]
["97032636","[2H][CH]O"]
["49677003","[CH2]O.[Hg]"]
["21804870","[Al+2].[CH2]O"]
["78229742","[CH2]O.[Ni]"]
["79892926","[CH2]O.[CH3].[Pb]"]
["79243571","[CH2]O.[Cu]"]
["79886773","[CH2]O.[Cl-]"]
["91485682","[CH2]O.[Cl-].[In+]"]
["97309148","[CH2]O.[OH-].[Zn+]"]
["175672356","[200Ir]"]
["79121388","[AsH]1[AsH][AsH][AsH][AsH][AsH]1"]
["60470109","[11NH3]"]
["185866980","[O-]NCl"]
["173487549","C=[P+]1CC1"]
["54343269","[134IH]"]
["175178966","[O-]NCl.[O-]NCl.[Pt+2]"]
["52358689","N=[P+]1CC1"]
["60020614","[AsH]1[AsH][AsH][AsH][AsH]1"]
["175671094","[53V]"]
["33139037","[157Sm]"]
["56224688","[3H]N[3H]"]
["79380184","[121S]"]
["79696624","BP(B)C"]
["79227389","[49Si]"]
["78558226","[118Pt]"]
["175312745","[50Co]"]
["23829926","B1=BB=C=B1"]
["175312744","[50Co].[H-].[Li+]"]
["55606665","[n-]1[nH][nH]1"]
["64466555","P1=PS1"]
["175570911","b1bbob1"]
["53781137","[3H]C(C)C"]
["78124236","[SiH4-][Se+]"]
["79262812","BC(B)B"]
["1103290","F[Cl+](F)(F)F"]
["167146263","[2AsH3]"]
["78216930","[115La]"]
["33096381","[134Cs]"]
["79493927","OC(O)=S=C(O)O"]
["164101245","[134Cs].[H]"]
["185711744","C=[PH+]I"]
["163518386","BNI"]
["97005154","C[S+2](C)(C)O"]
["96930110","C#C[As-]"]
["175672207","[176Os]"]
["26674432","[CH2]C(Cl)Cl"]
["79786663","[BH+]C#N.[Li-]"]
["171863182","[Br-].[Li-]"]
["170928464","F[As+](F)(F)F.[Li-]"]
["177066103","[Li-].[PH2-].[PH2-]"]
["175724094","[CH3-].[Li-]"]
["78468121","[BH2+].[Li-]"]
["171830303","[Li-].[OH-]"]
["50960963","[Al+3].[Li-]"]
["182397335","[CH2]C(S)S.[In]"]
["171857787","[F-].[Li-]"]
["78063074","[29SH2]"]
["173576781","N=S([NH-])I"]
["157809416","[Pt+4].[Pt+4]"]
["200578325","N.[Pt+4]"]
["65637398","[Br-].[Br-].[Pt+4]"]
["101726251","[Pt+4].[Ti]"]
["172813120","[Ca+2].[Pt+4]"]
["79595559","[Pt+4].[Te-2].[Te-2]"]
["158386163","Cl.O.[Pt+4]"]
["185600541","O=[C-]Cl.O=[C-]Cl.[Pt+4]"]
["32198538","[Cl-].[Pt+4]"]
["193641936","[Pt+4].[Sn+4]"]
["48053474","O.[Cu].[O-][Se]O"]
["191698256","[Pt+2].[Pt+4]"]
["175672618","[254Lr]"]
["190707734","[NH3+]F.[OH-]"]
["60306001","C[Si]P"]
["49995152","O[AsH](=S)S"]
["167129990","[188Re+3].[O]"]
["191476358","[NH3+]F.[SiH4]"]
["101723389","[Cl-].[NH3+]F"]
["79201563","F[B-](F)(F)F.[NH3+]F"]
["192737177","[NH3+]F.[Ta+5]"]
["61538358","[NH3+]F"]
["84196067","O=[Si]P"]
["185372693","S=[AsH](S)S"]
["175671148","[62Cr]"]
["100853018","C#C[CH+]"]
["168471910","[CH+]C#[13CH]"]
["56482839","N=[P+](F)F"]
["190386205","N=[AsH]"]
["168471911","C#[13C][CH+]"]
["175672354","[199Fr]"]
["180624110","[NH2+]=P[Se]"]
["97988900","[As]1=[As][Se]1"]
["175672265","[184Pb]"]
["91318661","CC[Si+]"]
["100252860","I[Si]1CC1"]
["91163546","[Si+]CC[Si+]"]
["97956664","[N-]O[SiH3-].[N-]O[SiH3-].[Ti+4]"]
["168497998","[O-]C[Si+]"]
["25647912","FC1(Cl)C(F)(Cl)C1(F)Cl"]
["91303206","[Si+]CCl"]
["79005462","[Ge+4].[N-]O[SiH3-].[N-]O[SiH3-]"]
["50495314","O[Si-]=[F+]"]
["175672452","[215U]"]
["185372209","O[Si-2](O)(O)(O)(O)O"]
["175672103","[165Re]"]
["79322821","F[B-](F)(F)F.[Co]"]
["79896927","Br.F[B-](F)(F)F.[Li+]"]
["170466523","F[B-](F)(F)F.O.[OH3+]"]
["161723832","F[B-](F)(F)F.O.[Ag+]"]
["170483874","O.[OH2+][B-](F)(F)F"]
["156289110","F[B-](F)([F+])[F+].[Li+]"]
["33398513","F[B-](F)(F)F.[Cu+]"]
["174408481","F[B-](F)(F)F.I"]
["174655031","F[B-](F)(F)F.[H+].[U]"]
["79010998","F[B-](F)(F)F.[F-].[Pd+]"]
["79940366","F[B-](F)(F)F.[153Au]"]
["175670913","[22O]"]
["63126631","C[Ge](C)Cl.C[Ge](C)Cl"]
["84173781","Cl[Ge](Cl)Cl.O"]
["110891475","Cl[Ge](Cl)=[Ge]"]
["96803241","S=[Ge](Cl)Cl"]
["190586224","[2H]S(C)=S"]
["185370845","Cl[GeH2].Cl[Ge](Cl)Cl"]
["61612217","Cl[Ge](Cl)Cl.[SiH3]"]
["79726624","Cl[Ge](Cl)Br"]
["168344891","Cl[Ge](Cl)Cl.[Si]"]
["52030347","CN=[NH+]C"]
["25387311","CC(C)(C)[SiH2]"]
["175670996","[36P]"]
["79729659","[OH-].[OH-].[Rb+2]"]
["79047519","[SiH3][N][SiH3]"]
["51003088","[C+]#[Si]O"]
["175671039","[43Ti]"]
["83231239","[31SiH4]"]
["1101433","[31Si]"]
["173516269","[B-]=S(C)F"]
["64082616","[3H]S(=[B])[B-]"]
["78478939","PPCl"]
["175672195","[175Ho]"]
["97069744","CC1(C)[C-]=[O+]1"]
["100595676","[3H]S(=O)I"]
["173465449","[3H]S(=[B])C"]
["47179421","[3H]S(=[B])[S-]"]
["173551749","[B]=PP=C"]
["175672455","[216Pa]"]
["47776512","ONO.[B].[U]"]
["174939689","NNO.[Pt]"]
["175672634","[257Es]"]
["170466325","N.N.S=[Te](S)S"]
["101679171","[SiH]#[S+]"]
["79850851","Cl.NNO"]
["100443283","ONO.ONO.[Pt]"]
["183508940","NNO.[Au+3]"]
["79926357","CC.ONO"]
["168441621","ON[S-]"]
["174623117","ONO.OO"]
["175672212","[176Tl]"]
["63606257","[2H][B-](=[B])[B+]"]
["79697855","O=[28C]=O"]
["62998484","PB(Cl)Cl"]
["97406653","PB(Br)Br"]
["57723854","CB(C)P"]
["79933637","BB(P)P"]
["78230536","Cl[Te](Cl)Cl"]
["166769560","FB(F)P"]
["43092537","O=[Se](Br)Br"]
["97366288","C#[GeH]"]
["79185252","OB(O)P"]
["61695747","[246Cm]"]
["190813336","CC.CC.[Cm]"]
["59419435","[CH3-].[Cm].[Rf]"]
["197124903","[Bi+3].[Cm]"]
["78071886","[Cm].[O]"]
["79187148","F.[Cm]"]
["157881132","O=P([O-])([O-])[O-].[Cm]"]
["175749802","CC.[CH3-].[Cm]"]
["157519244","[Ac].[Cm]"]
["56920021","[Bi].[Cm]"]
["54106721","[CH3-].[Cm]"]
["184837624","O=[C-]Cl.[Cm]"]
["32004820","[Te+4]"]
["78388054","C[O+](C)C.[Br-]"]
["78987959","C[O+](C)C.[BH4-]"]
["79258049","C=C=C=C.[Li+].[Li+]"]
["190724301","C=C=C=C.[Cl-]"]
["44838731","O[Si](O)O.O[Si](O)O"]
["98170528","C=C.C=C=C=C"]
["98719594","C=C=C.C=C=C=C"]
["198591437","C[O+](C)C.[F-]"]
["175726108","[O-][Si]([O-])([O-])[O-].[Te+4]"]
["44722362","O[Si](O)O.[Rf]"]
["24864564","C[O+](C)C"]
["62967982","[245Bk]"]
["79219756","[3H]NCl"]
["44656332","[3H]NI"]
["91178154","[Si]=[Si]1[Si]#[Si]1"]
["68309602","[C-]C.[Y]"]
["200581047","[C-]C.[W].[Y+3]"]
["64689110","[3H]NF"]
["171981524","[3H]N[N].[V]"]
["79042243","O.[3H]NCl"]
["51212355","[C-]C.[W].[Y]"]
["52375869","[3H]NN"]
["54422425","[C-]C"]
["175671293","[82As]"]
["97750195","[B+]C"]
["22408698","F[As](F)(F)(F)F.N"]
["79781174","[B+]C.[F-].[F-]"]
["79805509","F[As](F)(F)(F)F.[N]"]
["79514441","[B+]C.[OH-].[OH-]"]
["111026144","F.F[As](F)(F)(F)F"]
["42343175","F[As](Cl)(Cl)(Cl)Cl"]
["172736032","F[As](F)(F)(F)F.S"]
["174343112","C#C.F[As](F)(F)(F)F"]
["103110421","Cl[PH2+]Cl"]
["171963564","[2H][P+]([2H])(Cl)Cl"]
["175670935","[26Ne]"]
["65959913","[234U]"]
["101971594","[SeH]SS[SeH]"]
["60578804","[234U].[235U].[U]"]
["182382311","[NH3+]OSO[NH3+]"]
["83219211","[204Pb].[H].[H]"]
["49178115","[204Pb]"]
["194590711","[2H][P+]([2H])([2H])C"]
["98014843","[78BrH]"]
["145649934","[128BH3]"]
["174519047","N.[2H][N+]#N"]
["174279952","[2H][N+]#N"]
["170466326","S=[Te]([S-])[S-]"]
["170476607","S=[Te]([S-])[S-].[K+].[K+]"]
["48831033","Br.N#[NH+]"]
["57589284","Cl.N#[NH+]"]
["45926833","[82Br-].[Na+]"]
["54717210","N.N#[NH+]"]
["174841289","[56Ti]"]
["67979584","N#[NH+].[B-]F"]
["83218899","[125TeH2]"]
["64020473","C=c1c(=C)c(=C)c(=C)c(=C)c1=C"]
["164781663","FBr.[F-].[F-]"]
["175054622","N=[SiH2].NO"]
["79678646","FBr.[Sr]"]
["163563809","[15N]#[13C][34S-].[K+]"]
["44810748","FBr.[Ba+2].[Mg+2]"]
["57921214","FBr.[Ba+2].[Sr+2]"]
["172686706","FBr.[Li+]"]
["52753731","C=C1C(=C)C1=C"]
["56826385","FBr.[Ba+2]"]
["78484898","FBr.[Al]"]
["79577825","[109Co]"]
["44236713","[100Tc+].[O].[O]"]
["57618520","OI.[Cu]"]
["53778850","[2H]OI"]
["79556310","OI.[I]"]
["78244343","C=C(I)I.C=C(I)I.O"]
["174505239","O.OI"]
["78994933","C[C](C)I.[Zn]"]
["52799580","OI.[W]"]
["173400825","OI.P"]
["78333447","N=C(I)I"]
["171894670","OI.[V]"]
["1105039","[NH-2]"]
["79253303","[OH-].[Ti].[Zr+]"]
["60705775","C=[11C]=O"]
["1100914","C=C=O"]
["79469177","[O-][SiH3].[Zr+]"]
["60457831","C=C=O.C=C=O.C=C=O"]
["84001175","F[Si]1(F)[Si](F)(F)[Si](F)(F)[Si](F)(F)[Si]1(F)F"]
["96535538","[C+]=C=C"]
["78110415","[NH2-].[Zr+]"]
["79586508","[F-].[N].[Zr+]"]
["79472379","O.[OH-].[Zr+]"]
["79147095","[Mo].[OH-].[Zr+]"]
["175672624","[255Rf]"]
["27305944","[Se]=C=[Se]"]
["33321039","C[14C](C)(C)N.Cl"]
["24968000","FC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["54267059","CC(C)=[PH2+]"]
["102953853","[SiH3]C([SiH3])=[PH2+]"]
["84061476","FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["25716828","FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["101674879","[SiH]S"]
["67122428","C[14C](C)(C)N"]
["175922238","[Fe].[Se]=C=[Se]"]
["25791998","FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["177462516","[33Ti]"]
["192269304","C.C=[NH+]C"]
["98291200","C=[NH+]C.CC"]
["175511661","[Mo].[Nb].[Se][SeH]"]
["174797259","[Se][SeH]"]
["25189960","C=[NH+]C"]
["175492866","[Mo].[Se][SeH].[W]"]
["51597660","[B]=[B-]=[B-]"]
["58712282","CC=[NH+]C"]
["52892500","I[Si](I)(I)[Si](I)(I)I"]
["33965201","[197Pt]"]
["1097459","C1=CC=C1"]
["83227174","C1=C\\C=C/C=C\\C=C/C=C\\C=C/C=C\\C=C/1"]
["192912597","C1=CC=C1.[Ni]"]
["168708881","C1=CC=C/C=C\\C=C1"]
["190549374","NB=O.[Er]"]
["147696445","C1=C\\C=C\\C=C\\C=C\\C=C\\C=C/C=C/C=C/C=C\\C=C\\C=C\\C=C\\C=C\\C=C\\C=C/C=C/1"]
["110916776","C1=C\\C=C\\C=C\\C=C\\C=C/C=C/C=C/C=C\\C=C\\C=C\\C=C\\C=C\\C=C/C=C/1"]
["91185002","C1=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=C1"]
["96814668","C1=CC=C1.[Sn]"]
["170659916","C1=C\\C=C\\C=C\\C=C/C=C/C=C/1"]
["100945185","C1=C\\C=C\\C=C/C=C\\C=C\\C=C/1"]
["79576864","[121Pb]"]
["196585623","[S-]S.[Tl+]"]
["194236833","P.PP.S"]
["174053929","PP.[Ni].[Ni]"]
["57459538","[3H]PP.[Y]"]
["78117514","Cl.PP"]
["177996081","PP.[K+]"]
["42168272","[3H]PP.[U]"]
["45745565","[3H]P([3H])P"]
["55623223","PP.[V]"]
["190422569","P.PP.PPP"]
["78230524","[Mo+].[S-]S"]
["175672135","[168Os]"]
["32821100","I[Se](I)(I)#I"]
["78367192","[C]#N.[Co-2].[Zn+2]"]
["175670929","[25F]"]
["100853138","[2H]C([2H])([2H])[OH2+]"]
["97819774","C[As](C)[S-]"]
["172329119","N.[OH2+]C#[Si]"]
["47416374","[C+]#C[OH2+]"]
["78173166","[O-][N+](I)(I)I"]
["99868332","[153Sm+3]"]
["175672182","[173Ir]"]
["171439165","[Au].[B]=[N-]"]
["68707054","[B]=[N-].[K+]"]
["184763479","[B]=[N-]"]
["101163002","[CH+]N"]
["79641498","[136Ti]"]
["79046295","O[As]1(O)(O)OO1"]
["68321052","[246Am]"]
["170675819","[B]=[N-].[B]=[N-].[Sr+2]"]
["79088569","[2Si]"]
["23108215","C[13CH2]Br"]
["172513836","CCBr.CCBr"]
["189781335","C=[14CH2]"]
["193205152","[SiH-]=[SiH2]"]
["24368467","[13CH3]CBr"]
["264674","CCBr"]
["23036040","[13CH3][13CH2]Br"]
["63845539","FC(F)(F)[SH2+]"]
["79472731","[51Si]"]
["174725340","CP(C)(C)(C)[SiH3]"]
["67949067","[B+]=C[NH-]"]
["175941005","[Tl+3].[Tl+3]"]
["79581224","[O-]C=[SiH+]"]
["101471641","[OH-].[Tl+3]"]
["177583422","O=[As]([O-])([O-])[O-].[Tl+3]"]
["79400789","[O-]B([O-])[O-].[Tl+3]"]
["174725339","CP(C)(C)(C)[SiH3].O"]
["26250362","CP(C)[O]"]
["99710097","[NH-]B(O)O"]
["101150510","[BH2-]1[PH3][BH2-][PH3]1"]
["33729976","[146Eu]"]
["78273277","[Te]=S=S=[Te]"]
["91565658","[B]1[Si]#[Si]1"]
["97656591","[O-][N+]=CS"]
["61816126","FS(=S)I"]
["175672528","[233Th]"]
["79838529","Cl.Cl[Si](Cl)(Cl)Cl"]
["67132726","[B]O.[W]"]
["191008888","Cl[Si](Cl)(Cl)Cl.[He]"]
["174769781","C#N.[B]O"]
["149929570","CO.[B]O"]
["78511948","Cl[Si](Cl)(Cl)Cl.[SiH4]"]
["78244239","Cl[Si](Cl)(Cl)Cl.[Ar]"]
["190842544","Cl[Si](Cl)(Cl)Cl.[NH4+]"]
["172695262","P.[B]O"]
["78959128","Cl[Si](Cl)(Cl)Cl.[Zn]"]
["51879804","Cl[Si](Cl)(Cl)Cl.[H+]"]
["175671608","[119Tc]"]
["175672433","[212Pa]"]
["84137420","CC12C3(C)C1(C)C1(C)C4(C)C1(C)C3(C)C24C"]
["100850404","CC[SeH2+]"]
["52242382","[253Es]"]
["170475589","CC12C3(C)[C@]4(C)C5(C)C(C)([C@]1(C)[C@@]25C)[C@]34C"]
["83981379","CC12C3(C)C1(C)C23C"]
["60837283","CC12C3(C)C1(C)C1(C)C2(C)C31C"]
["163628132","[BH2+].[Ir-]"]
["51689115","CC12C3(C)C1(C)C1(C)C2(C)C31C.F"]
["167455451","[TeH][Se][Se][TeH]"]
["34719638","CC12C3(C)C4(C)C1(C)C1(C)C2(C)C3(C)C41C"]
["79371569","[2O]"]
["199919489","NS(N)(O)O"]
["48599983","O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"]
["53632115","OB=BO"]
["170548167","[Se]=[Te]([Se-])[Se-]"]
["174439986","OS(O)(=[Se])=[Se]"]
["102894266","OS(F)(F)F"]
["167220493","OS(O)(O)O.[Cu]"]
["167243091","OS(O)(O)O.[Co]"]
["92120","O=S(=O)(O)O"]
["58118349","OS(O)(O)O"]
["174705198","OS(O)(=[Te])=[Te]"]
["161925511","[B-].[PH4+]"]
["190730689","S.[2H][PH3+].[PH4+]"]
["68033927","[B-].[B-].[Ni+2]"]
["42747683","O.[B-].[K+]"]
["173894441","[B-].[Co]"]
["187401450","[H].[Na+].[PH4+]"]
["79551508","B[O-].[PH4+]"]
["187401451","[H].[K+].[PH4+]"]
["55963908","[PH4+].[Se+]"]
["65758222","[B-].[Fe]"]
["193718534","[PH4+].[Ti+4]"]
["191449573","[Na+].[PH4+]"]
["175672486","[224Pa]"]
["172898768","[2H]I(F)P"]
["67309662","[C]1CC1.[Zr+2]"]
["91172768","S=P[Se]"]
["65404906","[2H]I(C)F"]
["66874464","[2H]I(#B)P"]
["54418950","[2H]I(#B)C"]
["91401106","[nH]1[pH][pH]1"]
["171969754","[2H]I(P)Cl"]
["53102282","[2H]I(P)I"]
["43727701","[2H]I(I)I"]
["1102504","[As]12[As]3[As]1[As+]23"]
["79801443","[121Ti]"]
["59870498","CO[Te](OC)(OC)OC"]
["1106295","[O-][Si]([O-])(O)O"]
["79215174","[Cl-].[La+3].[O-][Si]([O-])(O)O"]
["174463027","O.[O-][Si]([O-])(O)O.[Zn+2]"]
["91565727","COC.[Cu+]"]
["191683050","COC.[F-]"]
["62357752","COO.[Ti]"]
["172007180","CO[Se]"]
["174493196","COC.[Pd]"]
["78413943","COC"]
["200575361","COC.[Cl-].[Cl-]"]
["175672094","[165Sm]"]
["194367709","N=[19C](N)N"]
["159782359","N.[17O]=[N+]([17O-])[17OH]"]
["171934589","[3H]OCCO[3H]"]
["175671141","[61V]"]
["159782360","[17O]=[N+]([17O-])[17OH]"]
["103031462","C1[GeH+]C[GeH-]1"]
["25673658","[CH2+]C[O-]"]
["170507531","ClI=ICl"]
["78952297","[O][N+](=O)F"]
["175671014","[39Cl-]"]
["79937067","[128Fe]"]
["102917154","C=[Si]F"]
["175670949","[29F]"]
["59552366","[3H]P[O-]"]
["175672490","[225Pa]"]
["158003820","NON.[Si]"]
["190420064","NON.N[O-]"]
["65374323","C=[N+]=C.[Cl-]"]
["78085452","NON.[Pt]"]
["79958805","Cl.NON"]
["174938957","NON.[H-].[Na+]"]
["79077582","NON.[Pd]"]
["32186548","NON"]
["192858375","NON.P"]
["175672597","[249Es]"]
["42141640","N.NON"]
["175671840","[141Gd]"]
["96734253","[13CH]#[13C][Xe]"]
["96979655","C#C[Xe]"]
["55475459","[8CH4]"]
["173497893","C[P+]1=CC1"]
["174705018","[TeH]O[TeH]"]
["175671568","[115Rh]"]
["175671588","[117Rh]"]
["175703289","[3H][GeH2]"]
["79321239","N#P.[Si]"]
["186257097","[7CH4]"]
["91409489","[CH2+]C(O)=[Si-]"]
["25161009","C1#CC=C1"]
["44213091","N#P"]
["175703290","[3H][Ge]([3H])[3H]"]
["68831860","CP(C)(C)(C)P(C)(C)(C)C"]
["175672657","[260Bh]"]
["50582238","[SiH2-]Cl"]
["79591716","[Nd+3].[Nd+3].[O-]C([O-])([O-])C([O-])([O-])[O-]"]
["54166198","F[I+](F)(F)(F)(F)F"]
["79784938","[Ce+3].[Ce+3].[O-]C([O-])([O-])C([O-])([O-])[O-]"]
["178073024","Cl[14CH](Cl)Cl"]
["79950551","[O-]C([O-])([O-])C([O-])([O-])[O-].[Rh+3].[Rh+3]"]
["79008394","[Bi+3].[Bi+3].[O-]C([O-])([O-])C([O-])([O-])[O-]"]
["79440694","[Al+3].[Al+3].[O-]C([O-])([O-])C([O-])([O-])[O-]"]
["84286951","O[I+](O)(O)(O)(O)O"]
["79941298","[In+3].[In+3].[O-]C([O-])([O-])C([O-])([O-])[O-]"]
["78282968","[Cr+3].[Cr+3].[O-]C([O-])([O-])C([O-])([O-])[O-]"]
["63065833","[138Pr]"]
["175671267","[79Cu]"]
["185010309","[2H][I-]([2H])([2H])C"]
["175671298","[83Zn]"]
["99519983","[12Li+]"]
["185934367","[114SH2]"]
["175671835","[141Sb]"]
["79772768","NC(N)P"]
["78535394","[CH+]=[SH][S-]"]
["33663880","[110Cd]"]
["147747640","[8CH2]=O"]
["175671489","[106Sn]"]
["174516038","FC(F)=C(F)F.[Ag]"]
["26624927","[CH2]ON"]
["192966330","FC(F)=C(F)F.[Na+]"]
["79539028","FC(F)=[P]"]
["191520425","FC(F)=C(F)F.[Si]"]
["200580729","FC(F)=C(F)F.[F-]"]
["171931675","F.F.FC(F)=C(F)F"]
["78300794","Br.Br.FC(F)=C(F)F"]
["200574162","FC(F)=C(F)F.[Cl-]"]
["78282749","FC(F)=C(F)F.I.I"]
["174768414","FC(F)=C(F)F.[Fe]"]
["175671550","[113Te]"]
["61772358","Cl.[15N]O"]
["197077737","[Fe].[N]O"]
["61495132","[Cu].[N]O"]
["78300672","[N]O.[Ni]"]
["175671792","[136Pm]"]
["50479078","[15N]O"]
["78179084","[Co].[N]O"]
["175013603","[N]O.[Sn]"]
["80940806","Cl.[N]O"]
["56053478","[N]O.[V]"]
["78154134","O.[N]O.[Zn]"]
["168154670","[217Bi]"]
["25098456","[O]CBr"]
["78276984","[Au+2].[PH2-].[PH2-]"]
["33096900","[Au+2].[C-]#N.[C-]#N"]
["79180320","[Au+2].[Br-].[Br-]"]
["79095299","[Au+2].[Cl-].[OH-]"]
["48084323","[B][S-].[Na+]"]
["52151252","[B][S-]"]
["99896665","[Au+2].[O-2]"]
["79178914","[Au+2].[I-].[I-]"]
["97293735","C[C+]C"]
["96829124","C[C+]S"]
["33046559","[104Cd]"]
["79315965","C[Si](C)C.[Cr]"]
["97510102","C[Si](C)C.C[Si](C)C.[Cu]"]
["175751010","C[Si](C)C.[Ru].[Ru]"]
["25139160","C[Si](C)N"]
["175849215","C[Si](C)C.[Eu]"]
["52916843","C[Si](C)C.[CH3].[Hg]"]
["66550330","C[Si](C)C.[SH-]"]
["99263566","C#C.C[Si](C)C"]
["32190758","C[Si](C)C.[Cu+]"]
["174684047","C[Si](C)C.N"]
["50293906","C[CH-]C.C[Si](C)C.[Y]"]
["79767736","[96Xe]"]
["79950637","[NH-]NP.[Rh+]"]
["79617973","[Cl-].[NH3+][NH3+].[OH-]"]
["79322298","[Fe].[NH3+][O-]"]
["42039609","ClP(Cl)Cl.[Fe]"]
["78209428","B[NH3+].[F-]"]
["195113627","[15NH3+]O"]
["79627457","[NH3+][O-].[Na+].[OH-]"]
["50647518","C[I-]F"]
["42828312","O.[NH3+][O-]"]
["79346520","[O-][Cl+3]([O-])([O-])[O-].[Rh+]"]
["79230225","[NH3+][O-].[Pb]"]
["79446364","[252Pb]"]
["76556598","[K+].[K+].[S-]S[S-]"]
["193716300","[S-]SS[S-].[Sr+2]"]
["170466437","[Cs+].[Cs+].[S-]S[S-]"]
["175986183","[S-]S[S-].[Zn+2]"]
["76701749","[B-]=II.[W]"]
["48059847","[B-]=II"]
["1099178","[S]S[S-]"]
["185630971","C1=CP2C=CP1C=C2"]
["193671558","[Li+].[Li+].[S-]S[S-]"]
["23207191","[K+].[K+].[S-]SS[S-]"]
["161840897","[Cs+].[Cs+].[S-]SS[S-]"]
["174896630","[64Fe]"]
["78241166","[CH2]I=C"]
["78588975","P=NS"]
["101258653","C1C[P+]12CC2"]
["100869027","C=[Si]=[N]"]
["170548000","CC1=[N+]=C1C"]
["175671268","[79Zn]"]
["101055283","BN([SiH3])[SiH3]"]
["79252093","O=P([O-])([O-])[O-].[Se+3]"]
["191668671","C=P(C)(C)C.C=P(C)(C)C"]
["44735929","[Si+]=[Cl+]"]
["34152786","[143Pr]"]
["26359516","C=P(C)(C)C"]
["174058011","[8Li+].[H-]"]
["147770199","[106Cd]"]
["194184934","[2H][BH3-].[Na+]"]
["97226186","[nH]1pppp1"]
["193886139","C=P(C)(C)C.C=P(C)(C)C.C=P(C)(C)C"]
["27202473","[NH+2]"]
["96784374","C1#CC12[C-]=[C-]2"]
["91203739","[CH2+]C(F)(F)F"]
["170627982","O[B-](O)O"]
["91155804","N1NN2NNN1NN2"]
["67623818","[216At]"]
["64292800","C=[Si]=C"]
["167449250","[Se]=[Se]=[Se]=[Se]=[Se]"]
["42586112","[CH2+]C(C)(C)C"]
["161701409","C1#CC12C#C2"]
["187064796","O[B-](O)[OH2+]"]
["97496821","CN=[Se]=NC"]
["175672546","[236Am]"]
["78454179","C[NH-].[Am+].[CH3]"]
["185010143","[2H]C([2H])([2H])[NH-]"]
["185067470","C[NH-].[CH3-].[Cu+2]"]
["66717989","C[NH-].[Y]"]
["56450694","C[NH-].[Mn]"]
["171134257","C[NH-].C[NH-].[Ba+2]"]
["175762250","C[NH-].C[NH-].[Zr+2]"]
["79752178","C[NH-].[K+]"]
["175810335","C[NH-].C[NH-].[Zn+2]"]
["184943311","C[NH-].[OH-].[Sr+2]"]
["66414458","C[NH-].[B].[Y]"]
["175672509","[229U]"]
["175840029","[As]=[Te].[Cd].[Se]"]
["175832875","[As]=[Te].[In]"]
["83220096","[199Pb].[H].[H]"]
["78179182","Cl[B]I"]
["175670960","[31Ne]"]
["20043418","[As]=[Te]"]
["175716211","[As]=[Te].[Si]"]
["54691891","[199Pb]"]
["175671966","[154La]"]
["78256256","O=[Si]=O.[F-].[Li+]"]
["192895795","C.O=[Si]=O.[Si]"]
["174293690","O=[Si]=O.[Pd]"]
["79215802","O=[Si]=O.[Mo]"]
["158450858","O=[Si]=O.[Se]"]
["171041072","[SiH2]1[SiH2][Se][SiH2][SiH2][Se]1"]
["78278553","O=[Si]=O.[Mg+2].[O-2]"]
["78346951","O=[Si]=O.[Si]"]
["91615466","O=[Si]=O.[Au].[SiH4]"]
["79105033","O=[Si]=O.[Ti]"]
["79182953","O=[Si]=O.[Au]"]
["27306173","[132I-]"]
["1733560","ClC1(Cl)C(Cl)(Cl)C1(Cl)Cl"]
["163697578","[5OH2]"]
["194276306","[2H][C-]C.[K+]"]
["175672474","[222At]"]
["63611279","CCC.CO.CO"]
["174910413","CCC.O.[HH]"]
["46510153","Cl[I-]Br.[Ag+].[I-]"]
["174732229","C=CN.[Eu]"]
["79132293","CCC.[Cu]"]
["78199781","CCC.[Ba]"]
["79237163","C.CCC.O"]
["174723086","CCC.[O].[W]"]
["174691478","CCC.[O].[Ti]"]
["172513705","CCC.[B]"]
["60295610","CCC.CCC.[Ni]"]
["91700176","[73Zr]"]
["33695943","[159Dy]"]
["175671302","[83Br]"]
["190473715","Cl.FC(F)(F)P"]
["174574900","F.F.FC(F)(F)P"]
["62904209","N[B]S"]
["1102249","[219Rn]"]
["174898984","Br.FC(F)(F)P"]
["57934712","FC(F)(F)P"]
["193673670","FC(F)(F)P.O"]
["49383013","IBI"]
["174962727","Cl.Cl.FC(F)(F)P"]
["175672126","[168Gd]"]
["163563378","[136Ba]"]
["175554892","N[20NH2]"]
["91633991","C1[Si]=[Ge+]1"]
["33079497","[105Ag]"]
["79153913","[302Pb]"]
["175672018","[158Hf]"]
["91162570","B1=[Si]=B1"]
["175672181","[173Os]"]
["79378904","[77C-]=[F+]"]
["47101257","O=[Te]1O[Te](=O)O1"]
["79375357","[220Pb]"]
["103005508","[GeH]#[GeH].[GeH]#[GeH].[GeH]#[GeH]"]
["102933403","[F+]=[GeH-].[GeH]#[GeH]"]
["56409980","C=C=[O+]"]
["173892459","C=C[O].C=C[O].[Sn]"]
["78346562","C=C[O].[Sr]"]
["32067294","OB(F)F"]
["79879087","[B+]=CC.[Cl-]"]
["91285644","[B+]=CC"]
["58573181","C=C[O].C=C[O].[Hg]"]
["170598388","C=C[O].[Sb]"]
["79246496","C=C[O].[Fe]"]
["175672069","[163Eu]"]
["91487416","[Si+]=CS"]
["101302781","C=[PH2]C"]
["33294589","[203Tl+].[O-2]"]
["63921664","[NH-]C=[Si+]"]
["161659499","C[As]Cl"]
["161834676","O[N-]C=[Si+]"]
["90969679","C=[Si][CH2+]"]
["78051524","C[N+](C)(C)[N+](C)(C)C"]
["32934080","[203Tl+].[S-2]"]
["79771260","[57N]"]
["91394192","[Si+]=CCl"]
["79971823","[125Fe]"]
["79787608","N.N.OSSO"]
["49744064","OSF"]
["53564891","SB(S)S"]
["32652652","O=I(=O)F"]
["174397591","OSO.[Mo]"]
["22610631","OSO.[Mo].[Mo]"]
["78250557","OSO.[Y]"]
["193320203","OSSO.[NH4+]"]
["96487361","OS#P"]
["1102127","OSSO"]
["21615278","OSO.[Ce].[Ce]"]
["175672692","[268Mt]"]
["80506721","[Br-].[N].[Tc+]"]
["78126602","CO.[N-]=O.[Tc+]"]
["91173395","NP1CC1"]
["52793450","[O].[O].[Tc+]"]
["80506717","[Cl-].[N].[Tc+]"]
["79295007","[OH-].[Tc+]"]
["58837221","NSSN"]
["79951669","[N-]=O.[Tc+]"]
["23167150","[Al-2].[B+]=[B+]"]
["46721903","NP1NP(N)N1"]
["78255511","[Cl-].[O].[Tc+]"]
["27308889","[93Mo]"]
["45178831","[N-]=CC=[N-].[Sn+4]"]
["1103188","O=[AsH]([O-])[O-]"]
["79271637","C.O=[AsH]([O-])[O-].[Fe+2]"]
["174051764","N=[N+]=N.[La]"]
["173868920","N=[N+]=N.[H-].[Na+]"]
["174797578","C#C.N=[N+]=N"]
["174190178","C.N=[N+]=N.N=[N+]=N"]
["174980840","N=[N+]=N.[U]"]
["52751495","[K+].[N-]=CC=[N-]"]
["83234661","[123Sn].[H].[H]"]
["170711169","N=[N+]=N.[Hg]"]
["50604302","[108Pd]"]
["182947294","SOP(OS)OS"]
["43411706","[Si-]=[O+]C([O+]=[Si-])[O+]=[Si-]"]
["175671142","[61Cr]"]
["78122474","C[SiH](C)C.Cl"]
["196017357","C[SiH](C)C.C[SiH](C)C"]
["147747663","[8BH]=O"]
["193146706","C[SiH](C)C.[Li+].[NH2-]"]
["157197238","C.F.FS(F)(F)F"]
["189098529","FS(I)(I)#I"]
["98787306","CC.C[SiH](C)C"]
["174975349","C[SiH](C)C.[Pt]"]
["42498268","[B]=S(=[B])(F)F"]
["175841642","O=S(=O)(F)F.[Li+]"]
["91330957","O.O=S(=O)(F)F"]
["175671845","[142Te]"]
["172857457","O=[As]([O-])([O-])F.[Na+].[Na+]"]
["43818900","O=[As]([O-])([O-])F.[Li+].[Li+]"]
["175672582","[245Fm]"]
["175672298","[190W]"]
["166860560","[48Ni]"]
["175671630","[121Ru]"]
["159732250","O=[As]([O-])([O-])F.[Ag]"]
["100854853","C[AsH+](C)C"]
["79069766","[B+]CC=[C-].[Sb]"]
["193916486","O=[As]([O-])([O-])F.[Zn+2]"]
["79340449","[137Co]"]
["175672318","[193Tl]"]
["69749089","[Si][Si]#[Si-]"]
["1102942","C1=CN1"]
["56337585","[CH2+][Si]#[Si-]"]
["45942833","[73As]"]
["91469421","C[Si]#[Si-]"]
["56975729","N=[Si]=S"]
["44193858","O[Si]#[Si-]"]
["78128058","[SiH3]PP"]
["175671187","[68Fe]"]
["167212469","O=[C-]Cl.[Cl-].[Pd+2]"]
["63024719","O=[C-]Cl.O=[C-]Cl.[Y]"]
["79835986","O[AsH][SiH3]"]
["200067741","O=[C-]Cl.O=[C-]Cl.[Rf]"]
["185731229","O=[C-]Cl.[Re]"]
["54025632","S[AsH2]"]
["173991073","O=[C-]Cl.[Na+]"]
["168134102","CP(C)[S-]"]
["97005136","[2H]C([2H])=[Ge]"]
["78477417","[CH2+]P[NH-]"]
["97283559","C=N[N-]"]
["175672378","[204Au]"]
["27276325","O.[85Kr]"]
["59471593","NP(N)(F)(F)F"]
["78731928","C=P[SH]=C"]
["33861425","[85Kr]"]
["83221282","[75SeH2]"]
["185372434","[Os+]"]
["54149361","[Br-].[C-]#[O+].[Os+]"]
["163730713","[Cl-].[H].[Os+]"]
["96736346","S[Ge]1(S)S[Ge](S)(S)S1"]
["173504359","F[As](F)(F)F.[H-].[Li+]"]
["174981603","N.[Cl-].[Os+]"]
["57678178","[NH2-].[Os+]"]
["176216931","[Cl-].[K+].[Os+]"]
["96960868","[GeH2]1[Ge]23[GeH2][Ge]12[GeH2]3"]
["79777052","[NH-]O.[Os+]"]
["52472336","[I-].[Os+]"]
["161060250","[CH2+][Si+]"]
["78552988","[124Ta]"]
["79554728","[Au+].[CH2]C.[NH2-]"]
["99225772","[Al+2].[Br-].[CH2]C"]
["193863971","[CH2]C.[Sn].[Sn]"]
["78563440","[Be].[CH2]C.[CH3]"]
["78545125","ClCCl.[CH2]C"]
["45764234","[CH2]C.[Pb]"]
["48936295","[Bi].[CH2]C"]
["78814853","ClC(Cl)Cl.[CH2]C"]
["110889379","[CH2]C.[HH].[Pd]"]
["49368712","[CH2]C.[Sn]"]
["79496364","[CH2]C.[Cd+].[Cl-]"]
["175671906","[148Ce]"]
["79758343","[80O]"]
["175672465","[220At]"]
["79171174","C1=C[SH]C=C1"]
["100852331","C1=C[SH]1"]
["144652095","[CH2+]P[P-]S"]
["58548446","P[As]"]
["79782255","[129B]"]
["163715310","[SiH3]C([SiH3])C([SiH3])[SiH3]"]
["32618924","[13CH]#[15N+][O-]"]
["183738234","CS(C)=[Se]"]
["79215406","C#[N+][O-].[Hg]"]
["97788572","C#[N+][O-].[Al]"]
["78251688","NC(N)[SiH3]"]
["162496310","[SiH3]C([SiH3])Cl"]
["176395724","[SiH3]C([SiH3])P"]
["79571559","C#[N+][O-].[Au]"]
["91020012","C#[N+][O-].[NH4+]"]
["26590042","[SiH3]C(Cl)Cl"]
["79128649","[3N]"]
["44955745","[111Sn]"]
["170483893","Cl[I-]Cl.O.[K+]"]
["43572625","Cl[I-]Cl.[Li+]"]
["83219664","[111Sn].[H].[H]"]
["78836475","[SiH3][S]"]
["102950285","[P]P[P]"]
["157848070","C.F[I-]Cl"]
["79283859","Cl[I-]Cl.[NH4+]"]
["173144079","Cl[I-]Cl.N"]
["46323162","Cl[I-]Cl.[Na+]"]
["185246957","SC(S)Cl"]
["1097673","[S+]"]
["161949467","CC1(C)OO1.CC1(C)OO1"]
["97917450","[Se]=P[SeH]"]
["79049421","BrC1(Br)OO1"]
["193192092","P=S.[3H][I-]C.[F-]"]
["175671064","[47Mn]"]
["175024191","S=P[SeH]"]
["176441771","[S+].[V]"]
["47299012","[3H][I-]S"]
["54250143","[B]=NCl"]
["61902770","[3H][I-]F"]
["193811745","C.C.[3H][I-]S"]
["175671811","[138Gd]"]
["79104846","FP(F)F.[Li+]"]
["63188282","FP(F)P.[Ge].[Ge]"]
["78552723","FP(F)F.[Au+].[Cl-]"]
["81399372","FP(F)[Te]"]
["79942548","FP(F)F.[W]"]
["43066874","FP(F)F.[Cu+].[F-]"]
["79511558","FP(F)F.[Na+]"]
["177616450","FP(F)F.I"]
["79405199","[O+2].[O-]P([O-])F"]
["53386632","[B+]P(F)F"]
["172781112","C.FP(F)F"]
["175671065","[47Fe]"]
["78153254","[148Ni]"]
["56845797","C[B]S"]
["26764218","S=CC=S"]
["78492258","N=I(N)=O"]
["78355123","NI(=O)=O"]
["175671808","[138Pm]"]
["25458457","o1c2oc1=2"]
["175671532","[111Te]"]
["62322864","Br[S+](Br)Br"]
["175671744","[132In]"]
["79920358","[As-3].[Gd+3]"]
["190993408","[Cd+2].[Gd+3].[O-2]"]
["45150316","[Al+3].[Gd+3]"]
["185689360","[Gd+3].[Mn+2]"]
["164781863","[Gd+3].[O].[Ti]"]
["193307788","[Gd+3].[Mn+2].[O-2]"]
["62282643","[Gd+3].[Ni+2]"]
["194408072","[Co+2].[Gd+3].[O-2]"]
["63733506","[Cl-].[Cl-].[Gd+3]"]
["53810162","[Gd+3].[Ho+3]"]
["79439260","[Al+3].[As-3].[In]"]
["79714397","[As-3].[Dy+3]"]
["53623729","[Th+2].[Th+2]"]
["44667067","[Al+3].[Th+2]"]
["50086719","O.[Th+2]"]
["65093217","[Ce+3].[Th+2]"]
["91172282","O[CH-]O.[Th+2]"]
["192359788","FS(F)(F)(F)(F)F.[W]"]
["193176947","Cl.FS(F)(F)(F)(F)F"]
["79522499","FS(F)(F)(F)(F)F.[Ar]"]
["161718194","[Fe].[Th+2]"]
["45272308","[O].[Th+2]"]
["174973656","CC.FS(F)(F)(F)(F)F"]
["79031965","FS(F)(F)(F)(F)F.[O]"]
["175670969","[32Mg+2]"]
["48874742","C[P+](C)(C)C.[H+]"]
["191541402","C[P+](C)(C)C.[CH3-]"]
["1105190","CC(C)C"]
["186528793","C[P+](C)(C)C.O"]
["59030021","CC(C)C.CC(C)C"]
["99638668","C[P+](C)(C)C.F.F"]
["174311947","CC(C)C.[Ti]"]
["55077086","CC(C)C.[Al]"]
["34125465","CC(C)C.[Al+3]"]
["50805915","CC(C)C.[Cl-]"]
["32365733","CC(C)[13CH3]"]
["175671719","[129Pm]"]
["161080067","C=S.[Zr]"]
["79490815","OC(O)=P"]
["175756047","C=S.CN"]
["22046614","[S-]N[S-]"]
["174446271","C=S.CCl"]
["190667689","C.C.C=S"]
["45085078","C=S.[W]"]
["67313166","C=S.[Na+]"]
["174984420","C=S.Cl.Cl"]
["79959462","C=S.[Pt]"]
["79017528","C=S.[Li+]"]
["33010434","[Ac+3]"]
["67529831","[Al+3].[Lu+3].[Tb+3]"]
["79920331","[As-3].[Lu+3]"]
["59660947","[Lu+3].[O-][Si]([O-])([O-])[O-].[Y+3]"]
["191836200","[Hf+4].[Lu+3].[O-2]"]
["63560774","[CH-]=C.[Lu+3]"]
["59251838","[F-].[Lu+3]"]
["194162687","[Lu+3].[O-2].[Sr+2]"]
["185358186","C[AsH](=O)[O-]"]
["62535477","[Lu+3].[O-]B([O-])[O-]"]
["101725521","O=[SiH2].[Lu+3]"]
["50774713","[Lu+3].[Sb]"]
["79501214","[43Pr]"]
["193497745","[Cl-].[Cl-].[O-]B([O-])[O-]"]
["79125687","[Eu+3].[O-]B([O-])[O-]"]
["192954856","[Hg].[O-]B([O-])[O-]"]
["34592125","[O-]B([O-])[O-].[Sc+3]"]
["79126840","[N+3].[O-]B([O-])[O-]"]
["175008190","C[SiH2].[H-].[K+]"]
["79165080","[O-]B([O-])[O-].[Ti+3]"]
["79660845","[O-]B([O-])[O-].[Pd+3]"]
["79529432","[Mo+6].[O-]B([O-])[O-].[O-]B([O-])[O-]"]
["79034220","[H-].[O-]B([O-])[O-]"]
["177583592","[Ho+3].[O-]B([O-])[O-]"]
["175672127","[168Tb]"]
["79484289","[3H]OO[3H]"]
["97178987","[O+]CO"]
["79541882","BSSB"]
["79295377","[300Hg]"]
["97277261","[O+]C[O+]"]
["97424564","C[O+](C)[O+](C)C"]
["79750116","[O][SiH](Cl)Cl"]
["78313490","S=[I-]=[Se]"]
["51984447","[3H]OO"]
["79884028","[131N]"]
["161843326","[As].[Si+]#[Si-]"]
["175937101","[As].[Bi].[Pb]"]
["61384877","[As].[I-].[I-]"]
["172793053","[As].[Ca+2].[Zn]"]
["186901129","C.FSF"]
["79387695","[As].[Ga+3].[P-3]"]
["91278956","[As].[As].[Pd]"]
["190304599","C=C.[As]"]
["48318794","N#SF"]
["159875662","[As].[Ni].[Zn]"]
["161398621","[As].[Cd].[Pb]"]
["78153955","[13Ni]"]
["176309390","C[SiH](C)[NH-].C[SiH](C)[NH-].[Sc]"]
["185258422","C[SiH](C)[NH-].[Li+]"]
["78339430","C[SiH](C)[NH-].C[SiH](C)[NH-].[Ti+2]"]
["167342971","C[Te](I)(I)#I"]
["101085145","C[Te](C)(O)O"]
["65527430","O1[GeH2]O[GeH2]O[GeH2]1"]
["168441257","B1=[N+]N1"]
["42509271","O1[GeH2]O[GeH2]O[GeH2]O[GeH2]1"]
["159179914","C[SiH](C)[NH-].C[SiH](C)[NH-].[Gd+2]"]
["42523906","C[Te](C)(I)#I"]
["171955024","[3H]I([3H])([3H])([3H])[3H]"]
["79333126","[41C]"]
["79182546","IOOI"]
["78993692","IOOI.[W]"]
["176353456","IOOI.[V]"]
["185021586","O=[77As]([O-])([O-])[O-]"]
["156355004","SOOI"]
["193783776","[CH2][As-]C.[Na+]"]
["185021587","O=[77As](O)(O)O"]
["24489777","SCCS"]
["175671378","[93Kr]"]
["79351897","SCCS.SCCS"]
["1103058","[O-][F+]O"]
["79276655","[77Ar]"]
["90996322","C1OC[Ge]1"]
["79874275","[88Mn]"]
["79573858","N#[N+]I"]
["167340492","[Se]1P234[Se]P1([Se]2)([Se]3)[Se]4"]
["79612632","O=[N+]I"]
["78395949","[238Pb]"]
["157232350","C[Si]#[Si].[Zr+2]"]
["78547541","POOP"]
["176448699","B[N]"]
["161786209","[Se]=P[Se-]"]
["47347372","[Si]#[Si]Br"]
["69521718","N[Si]#[Si]"]
["62083825","C[Si]#[Si]"]
["99657620","C.[Si]#[Si]Cl"]
["52434908","ClP=[Se]"]
["84047355","[Se]P=[Se]"]
["91573335","FP=[Se]"]
["175671781","[135Pm]"]
["184789189","O=[Si-]O.[Na+]"]
["171982472","F[Si-]F"]
["79931960","SC(S)=C([SeH])[SeH]"]
["148995182","[129In]"]
["97124256","[N]C([N])C([N])[N]"]
["194545736","[Te]=[Te]=[Te]=[Te]=[Te]=[Te]=[Te]=[Te]"]
["173545945","[OH+]=[Te]=[Te]"]
["61068433","O=P(F)(F)P(=O)(F)F"]
["79052173","C[Si-]C.[Na+].[Na+]"]
["171747528","C[Si-]C.[Na+]"]
["1097110","[Si-]=[Si-][Si-]=[Si-]"]
["50301076","[Sg].[Sg].[Sg]"]
["66598056","[Sg].[Sg]"]
["175671772","[134Sm]"]
["91447558","Cl[OH+]Cl"]
["78102383","[151Pd]"]
["193721155","Cl[OH+]Cl.N.[Zr+4]"]
["193929741","Cl[OH+]Cl.N.[Ru+3]"]
["195304526","Cl[OH+]Cl.N.[Mo+4]"]
["51244214","Cl[OH+]Cl.N"]
["63056630","[2H][I-]C"]
["168509785","[B+]1N[C-]N1"]
["190972440","Cl[OH+]Cl.P"]
["175671960","[153Ho]"]
["173136195","O[I-](O)(O)O"]
["79049936","[9Si]"]
["78167223","[CH2][O+](C)C"]
["196443258","[O-][Cl+][OH2+]"]
["79514782","[138Co]"]
["79446079","B[SiH2].[Co].[Fe]"]
["175671797","[137Te]"]
["79207668","[SeH][Te]"]
["170677867","N1=N[Te+]=N1"]
["79190003","[Bi].[SeH][Te]"]
["51973349","[189Pt]"]
["78125597","[SeH][Te].[Zn]"]
["79841422","[Cd].[SeH][Te]"]
["79332796","[Au].[SeH][Te]"]
["186984069","B[SiH2].[Fe]"]
["79030607","[GeH4].[SeH][Te]"]
["175672655","[260Db]"]
["174339675","C[N+](C)(C)[SiH2]"]
["96852109","[CH]=C(O)P.[Li+]"]
["101722910","[AsH2][Si]1([AsH2])[AsH][Si]([AsH2])([AsH2])[AsH]1"]
["79231441","[141Pb]"]
["78621882","[N-]O[GeH3-].[N-]O[GeH3-].[Si+4]"]
["64685981","C[P+](C)=N"]
["91154493","[B]=[Si]1C=C1"]
["171923740","[3H][PH+]=S"]
["163839204","[20CH3]O"]
["170483391","O[Te]1(O)OO1"]
["34138924","[62Ga]"]
["64131586","O=PI"]
["199868295","[B]NI(I)I"]
["173924210","O=P[TeH]"]
["79270131","[127Co]"]
["175672372","[203Pt]"]
["175671567","[115Ru]"]
["79820310","[54Ni]"]
["63139518","[179W]"]
["78961811","BP=O"]
["65938503","O=PP=O"]
["64495310","PP(P)[S-]"]
["32913727","[189Re]"]
["175672466","[220Ac]"]
["78539185","[SiH3]OS"]
["79065312","[2H]C[12BH2]"]
["100425494","[126Au]"]
["175671703","[128I]"]
["79886239","[8V]"]
["160516563","S=[Se]=S.[Zn]"]
["175724063","O=[Se]=O.[Bi]"]
["27304339","Br[Se]Br"]
["169916946","S=[Se]=S.[SeH2]"]
["78349679","S=[Se]=[AsH].[GeH4]"]
["175999039","O=[Se]=O.[Ca+2]"]
["56855779","C[Se]C.[Na+]"]
["173096107","[B+]=[Se]=O"]
["173033707","S=[Se]=[AsH]"]
["79473216","O[N+](O)O"]
["170679509","C[Se]C.C[Se]C"]
["175671399","[96Rb]"]
["187375887","FBC(BF)(BF)BF"]
["175671649","[122Ba]"]
["67538881","C1C[GeH2]1"]
["56715282","C1C[GeH2]C1"]
["145373933","[288Pb]"]
["1101212","[Ce+4]"]
["33090704","[Br-].[C]#C.[Zn+]"]
["157523272","OOO.[Ce+4]"]
["79908672","[OH-].[Sn].[Zn+]"]
["78093912","[Ag].[SeH-].[Zn+]"]
["79351403","[NH2-].[Zn+]"]
["78264336","C.[Cl-].[Zn+]"]
["32206190","[CH]=C.[Cl-].[Zn+]"]
["23575422","[Ce+4].[O-2].[O-2]"]
["33888007","F[C](F)F.[Br-].[Zn+]"]
["78463127","[CH3].[N]=[N-].[Zn+]"]
["194301183","[Ce+4].[K+].[K+]"]
["78093319","[290Pb]"]
["175337599","N.OP(O)(O)(F)F"]
["78063634","OP(O)(O)(F)F"]
["1096512","FP(F)(F)(F)F"]
["174797371","FP(F)(F)(F)F.FP(F)(F)(F)F"]
["175124968","Cl.FP(F)(F)(Cl)Cl"]
["174522478","FP(F)(F)(F)F.[H+]"]
["174886246","FP(F)(F)(F)F.P"]
["91299111","CP(C)(F)(F)P(C)(C)(F)F"]
["23270521","F.FP(F)(F)(F)F"]
["97844003","F[Xe]"]
["50481763","FP(F)(F)(F)P(F)(F)(F)F"]
["78397422","[6SH2]"]
["79170689","[O]N=O.[Pb]"]
["79138844","[Co].[O]N=O"]
["79199090","Cl[GeH](Cl)[GeH](Cl)Cl"]
["79726622","Cl[GeH](Cl)Br"]
["79299941","[Al].[O]N=O"]
["78169998","[Ir].[O]N=O"]
["79815277","[O]N=O.[U]"]
["78135205","[O]N=O.[Zn]"]
["23578561","[Ag].[O]N=O"]
["79717244","[N].[O]N=O"]
["79675965","S.[O]N=O"]
["175671935","[151Ce]"]
["59020210","CC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C"]
["44352719","CC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C"]
["68893554","CC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C"]
["56725249","CC1(C)C(C)(C)C(C)(C)C1(C)C.F"]
["79279210","C[Ge+]C.[F-].[F-]"]
["78272929","C[Ge+]C.[H-].[H-]"]
["53935016","CC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C"]
["25325347","CC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C"]
["24920587","CC1(C)C(C)(C)C(C)(C)C1(C)C"]
["79797776","C[Ge+]C.C[O-].C[O-]"]
["45560231","[2H][C-]=N.[Y]"]
["32234020","[167Tm]"]
["175672327","[195Bi]"]
["78129744","[25Ar]"]
["83061323","OC[Ge]"]
["91181217","FC[Ge]"]
["60303838","[Ge]CBr"]
["62591403","[195Pb]"]
["150487200","CP(C)(C)(C)Cl"]
["161852781","CP(C)(C)(C)Cl.O"]
["79364661","OP(O)(O)=[Te]"]
["43037414","[NH2+]=[Se]"]
["46631758","CP(C)(C)=[Te]"]
["175672491","[225U]"]
["83219362","[195Pb].[H].[H]"]
["64617571","[234Np]"]
["192646740","[Si]NI"]
["42482218","[2H][P-]([2H])([2H])([2H])([2H])I"]
["33148565","[77As]"]
["79020564","Cl.Cl.[B]C"]
["173292822","[B]C.[HH].[HH]"]
["55795043","[B]C.[Y].[Y]"]
["45256575","[B]C.[U]"]
["174648678","[B]C.[Co].[Ni]"]
["173292307","CC.CC.[B]C"]
["174738261","[B]C.[Cr].[V]"]
["190611043","[B]C.[Zr+2]"]
["192153540","C.[B]C"]
["174487432","[B]C.[Fe].[Mo]"]
["62997173","[2H]C[B]"]
["175671711","[129Cd]"]
["161760280","BrCCBr.O"]
["330800","BrCCBr"]
["172758019","BrCCBr.Cl.Cl"]
["78397433","[CH2+]C[N-]O"]
["191802763","BrCBr.BrCCBr"]
["79844777","Br.BrCCBr"]
["51088481","BrCCBr.[NH4+].[NH4+]"]
["78630138","[80SH2]"]
["195785169","BrCCBr.F"]
["79302653","BrCCBr.N"]
["193315361","BrCCBr.[Br-]"]
["175671242","[76Cu]"]
["79339828","CS.S"]
["190813145","C.CS"]
["648070","CS"]
["198745761","CF.CS"]
["173199365","CS.[H-].[Li+]"]
["174861708","CS.Cl.[B]"]
["192047840","C.C.CS"]
["173223421","CS.[H-].[K+]"]
["172482936","CS.N#N"]
["192003823","CS.P.S"]
["171758864","[3H]P1[B]P1.[Fe]"]
["175671836","[141Te]"]
["197733266","F[B]I.[V]"]
["33020776","[193Pt]"]
["55486776","[S-][B]I"]
["148815084","P=BI"]
["52934298","P[B]I"]
["53977995","F[B]I"]
["196017319","CC(C)(C)[O-].CC(C)(C)[O-]"]
["96953841","FP=C([SiH3])[SiH3]"]
["59699917","[187W]"]
["184622331","O[B]I"]
["79580886","[134Co]"]
["187963253","[B+3]"]
["79305449","[B+3].[Na+].[O-][Si]([O-])([O-])[O-]"]
["78984930","[B+3].[H+]"]
["177822881","[B+3].[Br-].[O-2]"]
["58363359","[2H]C([2H])=N"]
["79151749","Br.[B+3].[Br-]"]
["160562588","O=[I-](=O)=O.[Cu+2].[OH3+]"]
["24529745","O=P([O-])([O-])[O-].[B+3]"]
["79082408","F.[B+3]"]
["78116566","O=[As]([O-])([O-])[O-].[B+3]"]
["17904849","I.O=[I-](=O)=O.[H+]"]
["24282549","[B+3].[C-]#N.[Na+]"]
["80009556","[132CH4]"]
["191414144","B#I([BH3-])I"]
["64638976","[B+]=N[S-]"]
["78213601","[157As]"]
["78527019","F[SH](F)(F)(F)F"]
["78551068","I[SH](I)(I)(I)I"]
["78740187","F[SH](F)(F)(F)Cl"]
["150547023","S[SH](I)(I)(I)I"]
["175672248","[182Lu]"]
["44278070","O=[P+]=S"]
["175671877","[145La]"]
["175219085","O=[P+]=S.[H-].[Li+]"]
["175726505","O=[P+]=S.[Li+]"]
["175671338","[87Zr]"]
["161909141","O=C=O.[O].[Sr]"]
["79306284","O=C=O.[Si]"]
["79306360","C#C.O=C=O"]
["190444291","O=C=O.[Ba+2].[O-2]"]
["78235975","O=C=O.[K+].[SH-]"]
["159634074","O=C=O.[He].[Xe]"]
["79214524","O=C=O.[Li+]"]
["65977970","O=C=O.[Re]"]
["79335093","O=C=O.[S]"]
["78212234","O=C=O.[Cl-]"]
["193599804","O=C=O.[Pt]"]
["78204792","[129Fe]"]
["192520132","[NH-][SiH3].[Na+]"]
["200586103","[U+4].[U]"]
["180295477","[NH-][SiH3]"]
["97630871","[O]P1C=C1"]
["59674022","[OH-].[OH-].[U+4]"]
["79070040","[Mg+2].[NH-][SiH3].[NH-][SiH3]"]
["157318365","[Mn].[NH-][SiH3]"]
["61613402","[O-2].[U+4].[U]"]
["175532714","[La].[NH-][SiH3]"]
["79903304","[K+].[NH-][SiH3]"]
["172735768","[NH-][SiH3].[Ti]"]
["27304574","[57Fe+2]"]
["161662318","[CH]C=[CH-].[Os]"]
["193614231","[NH2+]=PCP=[NH2+]"]
["192333908","[IH2+].[Zr+3]"]
["79711182","C[Si+](C)C.[I-]"]
["161929049","[O-2].[O-][Cl+3]([O-])([O-])[O-].[Zr+3]"]
["195755046","[I-].[O-2].[Zr+3]"]
["193527398","[Cl-].[O-2].[Zr+3]"]
["79898483","[N]NCl"]
["181683266","CO.[Zr+3]"]
["152974710","O[Cl+](O)(O)O"]
["45685282","[57Fe+2].[CH3-].[CH3-]"]
["175672283","[187Pb]"]
["33983534","[86Y+3]"]
["66367298","CC(C)=[SiH2]"]
["175672570","[243Np]"]
["61195307","[173Lu]"]
["62920723","C=[Si-](O)(O)O.[Y]"]
["168334400","[CH+]CO"]
["175671791","[136La]"]
["78959867","[CH+]CO.[Cl-]"]
["79716933","C=[Si-](O)(O)O.[Na+]"]
["56330127","C=[Si-](O)(O)O.[Y+3]"]
["79482594","[Am+4].[O-2].[O-2]"]
["79938965","[Am+4].[S-2].[S-2]"]
["79757099","C=[Si-](O)(O)O.[K+]"]
["175672656","[260Sg]"]
["79265286","[115As]"]
["172854284","C=[PH2+].P"]
["66853682","C=[PH2+]"]
["174345093","[SiH3]P[SeH]"]
["78154874","[SiH3]P[SiH3]"]
["192166508","Br.C=[PH2+].P"]
["174680736","[SiH3]P[TeH]"]
["193477983","C=[PH2+].[Fe+2].[PH4+]"]
["193448253","C=[PH2+].[PH4+]"]
["79360496","BP[SiH3]"]
["173055311","I.[SiH3]P[SiH3]"]
["174554980","[SiH3]PCl"]
["175672517","[231Fr]"]
["175778153","[At-].[Ca+2]"]
["161685363","[Ag+].[At-]"]
["34495413","[Mn+5]"]
["176290966","[At-].[Ba+2]"]
["176520066","[At-].[Zn+2]"]
["171585806","[At-].[Bi+]"]
["161658480","[At-].[Po+]"]
["22749607","IP(I)P(I)I"]
["200060236","[At-].[Re+]"]
["25423242","C[Si](I)(I)I"]
["175778152","[At-].[Ca+2].[H-]"]
["175672485","[224Th]"]
["175406627","[B]P.[Ni].[Ni]"]
["173173413","[B]P.[Mn]"]
["192446471","CC.CC.[B]P"]
["173006528","[B]P.[Ni]"]
["173451792","[B]P.[Fe].[Ni]"]
["174769375","[B]P.[La].[Ni]"]
["199154648","[B]P.[W]"]
["173004468","[B]P.[Co].[Re]"]
["101725896","[B]P.[Li+]"]
["173530303","[B]P.[Co].[Mo]"]
["60465701","[B]P"]
["1101588","[HH+]"]
["49984770","[18O]=S(=[18O])([18OH])[18OH]"]
["175670918","[23N]"]
["33664569","[O-][N+](F)(F)F"]
["33084577","[18O]=S(=[18O])([18O-])[18O-]"]
["1103144","N#C[TeH]"]
["97509581","[BH2-]C=C.[Li+]"]
["34287887","[18O]=S(=[18O])([18O-])[18O-].[Ca+2]"]
["175671741","[131Eu]"]
["47368459","[3H][B-](=[B])[B+]"]
["79957342","N#C[TeH].[K+]"]
["1103922","[203Po]"]
["187501966","[82Se+4]"]
["14516250","O=C1C(=O)C(=O)C(=O)C(=O)C1=O"]
["91450185","N1=[Si]=N1"]
["148741494","[N][SH]=N"]
["100850058","C[SH]=O"]
["78172793","Br[As](Br)(Br)Br"]
["185984372","C.C[SH]=O"]
["100857578","O=[SH]Cl"]
["60541364","C[SH]=O.[Y]"]
["47309488","FPP"]
["25097942","C1C[Si]1"]
["79489873","[2V]"]
["78957578","B[Si](C)(C)C"]
["175671354","[90Se]"]
["97753675","[C+]=CN"]
["91128405","Br[As]=[Br+]"]
["54647898","NC(N)(F)F"]
["78972744","O=P([O-])([O-])[O-].[N+3]"]
["79425563","[138Pb]"]
["78982091","[Fe+4].[O-2].[O-2]"]
["101304944","[C]1=C=C1.[Na+]"]
["175894240","[Fe+4].[Ti+4]"]
["174456268","O=P([O-])([O-])[O-].[Cl-].[Fe+4]"]
["91427986","[Fe+4].[N-]=O.[N-]=O"]
["734481","[Fe+4].[OH-].[OH-]"]
["26159466","[C]1=C=C1"]
["23724767","[Fe+4].[S-2].[S-2]"]
["158162028","O=P([O-])([O-])[O-].[F-].[Fe+4]"]
["200575915","[Fe+4].[K+]"]
["42637782","[2H][Si]([2H])([2H])[2H]"]
["175670974","[33Na+]"]
["175671607","[118Ba]"]
["97930398","[284Pb]"]
["97145418","C[Si](C)(C)[Se-]"]
["97408447","Cl[Si]1(Cl)C=C1"]
["79268426","[C]C(Cl)(Cl)Cl"]
["163869979","[Li+].[O]B[O-]"]
["159514382","SNNS"]
["79550506","[140Nd]"]
["175671372","[92Rb]"]
["175672605","[251Md]"]
["47107638","[66Ge]"]
["27308043","[132I]"]
["97666964","[GeH2]1C2[GeH2]C1[GeH2]2"]
["78707219","[SiH3]N([SiH3])Cl"]
["175672223","[178Au]"]
["175672206","[176Re]"]
["97917626","[C]1NPN1"]
["193906037","[Ir-3]"]
["79444972","[315Ra]"]
["60735264","F[Si]#I"]
["173040585","Cl.[O-][ClH+2][O-]"]
["61429586","N.[NH+]#CS"]
["174812599","[Co].[NH+]#CS"]
["1106097","F[Te](F)(F)F"]
["174815009","[Cd].[NH+]#CS"]
["173422780","C#[NH+].[C-]#N"]
["174842072","[NH+]#CS.[Rh]"]
["101305164","[BH+]N"]
["174811361","[Fe].[NH+]#CS"]
["185797795","C1=[SiH][SiH2][SiH2]1"]
["27305058","[57Ni]"]
["44551251","[65Ga]"]
["54048259","[3H]C1C([3H])C([3H])C([3H])C([3H])C1[3H]"]
["78664105","IN=PI"]
["79874083","[128Co]"]
["175671556","[114Ru]"]
["56816632","[180W]"]
["58239033","[200Pt]"]
["63625961","[234Pu]"]
["75352968","C[PH]1(C)C2C1[PH]2(C)C"]
["175670909","[21Na+]"]
["172025249","[2H][Si]#B"]
["175671947","[152Nd]"]
["190177562","C=C[14CH3]"]
["79232732","[250Pb]"]
["55596493","[14C-]#N.[Na+]"]
["150396689","c1cn2ccn12"]
["175672666","[262Db]"]
["64609942","[14C-]#N.[14C-]#N.[Zn+2]"]
["65177679","C=C[Si-]"]
["78225912","[NH]N(Cl)Cl"]
["61626911","[14C-]#N.[K+]"]
["185805160","[O-][Si]([O-])(Cl)Cl"]
["51173467","[3H]PBr"]
["43028504","[14C-]#N.[Cu+]"]
["173792136","[158Ho]"]
["79294020","[13Si]"]
["79463893","Br[CH]I"]
["26244861","C1C[SiH2][SiH2]1"]
["175671463","[103Nb]"]
["170662055","OOF.OOF"]
["197699498","[Na+].[O-][S-]"]
["79301665","[OH2+]OF"]
["79024044","FO[SiH3]"]
["185355891","FO[PH3+]"]
["79050159","[H].[In+2].[O-][S-]"]
["175671940","[151Tm]"]
["79233533","[Mo+4].[O-][S-].[O-][S-]"]
["44834323","OOF"]
["79248495","[La+2].[O-][S-]"]
["191667049","FOS.FOS"]
["174923361","[105Zr]"]
["100850112","[C-]#C[N-].[H+].[Na+]"]
["91552951","CC=[Se+]"]
["55681564","C=C[SH2+]"]
["100850103","[C-]#C[N-].[H+].[Li+]"]
["45313261","O=[Se]([OH2+])[OH2+]"]
["175671997","[156Hf]"]
["79182981","C[SiH](C)[NH]"]
["159336917","C[20CH2]O"]
["79187147","[Cm+].[F-]"]
["91245281","[Si]#CC#[S+]"]
["79540293","[Cl-].[Cm+]"]
["175672200","[175Os]"]
["175671398","[96Kr]"]
["61093445","[GeH2]=[Te]"]
["175672286","[188Ta]"]
["161747815","SP1C=C1"]
["186671346","[OH+]1[OH+][OH+][OH+]1.[V]"]
["175671368","[91Rh]"]
["197060410","O=[Xe](=O)([O-])[O-]"]
["52096410","O[N+](O)(O)O"]
["66074610","[3H]S[S-]"]
["170586883","S1#[Ge]S#[Ge]S#[Ge]1"]
["79956615","O[N+](O)(O)O.[H-]"]
["50279994","[C-]O"]
["50483919","O[N+](O)(O)O.[OH-]"]
["100216392","[B]=CC=[B]"]
["172062999","[3H]S[S-].[Na+]"]
["57986963","S1#[Ge]S#[Ge]1"]
["48925725","C=NS"]
["49608263","[72BrH]"]
["68465940","[B]=NF"]
["173698252","[B-]=S(C)C"]
["175671247","[76Sr]"]
["163563394","[50Ti]"]
["44175536","CPPC"]
["49206360","o1o[pH]1"]
["169744351","[30OH2]"]
["27303662","[75Br-]"]
["99987981","[233Ra]"]
["99784660","[B-]=S(C)I"]
["78141077","[104O]"]
["177197386","ClC(Cl)Cl.[2H-]"]
["192377403","ClC(Cl)Cl.[I-]"]
["195661953","ClC(Cl)Cl.[Cl-].[K+]"]
["193984452","ClC(Cl)Cl.[Fe+2].[O-2]"]
["176266173","[3H-].[3H-].[Ca+2]"]
["52397570","[3H-].[Na+]"]
["191472281","ClC(Cl)Cl.[Mo]"]
["163653950","ClC(Cl)Cl.N#N"]
["145529451","[3H-].[Li+].[Li+]"]
["51808745","B#[IH]I.[W]"]
["79535191","ClC(Cl)Cl.[Na+].[O-]Cl"]
["175672337","[196Rn]"]
["54094301","[97Zr]"]
["174724869","C[SeH].[Cu]"]
["173334249","C[SeH].[H-].[Li+]"]
["44312684","Cl[Xe]Cl"]
["34205368","C[131I]"]
["173008761","C[SeH].[H-].[Na+]"]
["172794352","[2H][Si]([2H])([2H])[Si]([2H])([2H])[2H]"]
["174510158","C[SeH].N"]
["173227731","C[SeH].[H-].[K+]"]
["101704684","C[SeH].[Na+]"]
["1071619","C[SeH]"]
["79465040","[101Co]"]
["175672712","[277Mt]"]
["171924773","N=I(=N)I"]
["56617355","C#I(I)I"]
["45341986","[B]=I(=[B-])I"]
["63614323","B#[Si]C"]
["66793238","[C-]#CI(I)I"]
["91162589","B#[Si]Cl"]
["64957308","SI(S)I"]
["53244237","CI(C)I"]
["48890460","II(I)I"]
["67794084","NC(N)(N)[Si]"]
["175671537","[112Tc]"]
["1099720","[B][O-]"]
["60314978","[B][O-].[Li+]"]
["175672545","[236Pa]"]
["197732521","[B][O-].[Na+]"]
["53409674","[PH]P"]
["175671410","[97Y]"]
["78534834","CC1(C)P=P1"]
["33167187","[Si]#I"]
["24855608","OC[SiH2]"]
["58636491","[Si+]=[Si-](Cl)(Cl)Cl"]
["173411867","[B][O-].[B][O-].[Co+2]"]
["50250974","[144Cs]"]
["79335072","[H-].[SiH3][Ge]([SiH3])[SiH3]"]
["32945542","[125Te+4].[O-2].[O-2]"]
["46388673","[125Te+4]"]
["91177157","[S-][As]([S-])[S-]"]
["175671011","[39Si]"]
["161707078","[C-]#[O+].[N-]=O.[Ru+]"]
["175327160","O.[N-]=O.[U]"]
["91139758","[N-]=O.[Sc]"]
["78566410","[Ir+].[N-]=O"]
["192652303","[C-]#N.[N-]=O.[Na+]"]
["160092604","[N-]=O.[Ru+3].[Ru+3]"]
["180524506","[Cr].[N-]=O"]
["79064244","S.[Fe+].[N-]=O"]
["185369157","[N-]=O.[Pt]"]
["91125212","[Cu+2].[N-]=O"]
["161725110","[CH3-].[Mo+2].[N-]=O"]
["47253548","[Fr]"]
["67555563","[2H][I]I"]
["22870263","C[CH]C.[Br-].[Mg+]"]
["176165518","[F-].[Li+].[Mg+]"]
["1100812","[CH3].[Cl-].[Mg+]"]
["32988450","[CH2]I.[Cl-].[Mg+]"]
["172785112","[F-].[Mg+2].[Mg+]"]
["79302178","[2H][C]([2H])[2H].[Br-].[Mg+]"]
["32874573","[13CH3].[I-].[Mg+]"]
["78347210","[C]#C.[I-].[Mg+]"]
["167144012","[H].[Mg+].[OH-]"]
["79226859","[CH3].[F-].[Mg+]"]
["51096042","[94Nb]"]
["100906350","C#C[PH]"]
["50178287","O[Te](O)(O)O"]
["175671970","[154Pm]"]
["51031398","SC=[SH+]"]
["27306891","[125I-]"]
["23818798","[2H]OC"]
["150161801","[2H]C=[9BH2-]"]
["58703102","NC(N)C(N)N"]
["78190070","NC([O])[O]"]
["79175268","[15P]"]
["78118813","[C+]NN[C-]"]
["171406325","[2H]O[O]"]
["79071697","[Si]#[As]"]
["58860998","F[B-](F)F.[Na+]"]
["53156916","F[B-](F)F"]
["26428416","NC(Cl)Cl"]
["175672577","[244Es]"]
["97740752","[2H][C+]([2H])O"]
["79936503","[80Ti]"]
["33447252","C[As+](C)(C)C"]
["68122170","F[P-]F"]
["1103283","[P-]"]
["70227608","C=PN"]
["195114519","[89Rb+].[H-]"]
["101033445","[2H][CH+][CH+][2H]"]
["1101549","[Te-]"]
["174654569","[O][TeH]=O"]
["79730531","[154Pb]"]
["79501375","B/C=C/B"]
["170924081","[B-]=IO"]
["78340283","B/C=C\\B"]
["25222690","N[CH]N"]
["187147910","C[I]O"]
["78998932","O[I]O"]
["67444872","[172Yb]"]
["79801966","C=IO"]
["27307793","[56Co]"]
["52593208","C[Si].[Ge]"]
["168302733","C[Si].[Y].[Y]"]
["173047083","C[Si].F"]
["97823550","[SiH2]1[SiH2][SiH2]S[SiH2]1"]
["190714420","C[Si].N"]
["193029434","C[Si].[He]"]
["97857995","[SiH2]1[SiH2]S[SiH2]1"]
["32070716","C[Si]"]
["167116280","[BH+]P.[Mo-].[Ni]"]
["168132722","[B]1[N-][B][N-][B][N-]1"]
["58787628","C=C(O)C(=C)O"]
["33200662","[52Ti]"]
["60645546","[227Ra]"]
["79633883","[105Ir]"]
["63878673","[SH2+]CC[SH2+]"]
["83227911","[227Ra].[H].[H]"]
["27305862","[82Sr]"]
["183227529","[SH2+]CCCC[SH2+]"]
["1096269","[C]#[C-]"]
["83218022","[82Sr].[H].[H]"]
["175259366","[48Fe]"]
["99798117","[B]=S123SC1(S2)S3"]
["110867894","BC(B)=P"]
["79136840","BO.[Li+]"]
["79866990","BO.O"]
["48272954","[SeH][As]([SeH])[SeH]"]
["79551507","BO.[PH5]"]
["101388912","BC(=N)P"]
["78507297","BC(B)=C"]
["79774225","BO.c1ccccc1"]
["171944461","[P-]=NP"]
["91154400","P=[Si]=[Si]=P"]
["175671710","[129Ag]"]
["79728569","[279Pb]"]
["42988658","[230Pu]"]
["175670936","[26Na+]"]
["42027699","[148Nd]"]
["27305132","[82Rb]"]
["175671788","[136Sb]"]
["171912409","[3H]SI.[V]"]
["97706802","[Br-].[Br-].[Lu+2]"]
["27304376","[72Zn]"]
["97101032","[Cl-].[Cl-].[Lu+2]"]
["161925741","Cl[I-](Cl)(Cl)Cl.[K+]"]
["175671884","[146Xe]"]
["79328966","[F-].[F-].[Lu+2]"]
["170853424","C=[NH+]O.Cl.[HH]"]
["170512803","Cl[I-](Cl)(Cl)Cl.Cl[S+](Cl)Cl"]
["78203947","Cl[I-](Cl)(Cl)Cl.[Li+]"]
["195113801","S=[NH+]S"]
["32812913","[131Ba]"]
["99611528","CP(C)(O)(O)O.[B]"]
["175672663","[262No]"]
["190787089","CP(C)(O)(O)O.CP(C)(O)(O)O"]
["78224060","CP(C)(O)(O)O.[Ag]"]
["174613727","F[SeH]"]
["59008843","N=[C-]S.[Na+]"]
["171613897","N=[C-]S.[Li+]"]
["43386875","CP(C)(O)(O)O"]
["79705783","[150Rh]"]
["181196737","N=[C-]S.[Mn]"]
["65435269","[109Ag]"]
["175671989","[156Ce]"]
["33527996","[14CH3]P(=O)(Cl)Cl"]
["78103577","O=P(Cl)(Cl)Cl.[Pb]"]
["190914409","O=P(Cl)(Cl)Cl.[V]"]
["174697646","O=P(Cl)(Cl)Cl.[Au]"]
["79455738","O=P(Cl)(Cl)Cl.[P]"]
["176015747","O=P(Cl)(Cl)Cl.[Sn]"]
["1101472","O=P(Cl)(Cl)Cl"]
["97521015","F[P](F)(Cl)Cl"]
["174691996","O.O=P(Cl)(Cl)Cl.P"]
["59673379","O=P([O-])([O-])Cl"]
["160393571","C.O=P(Cl)(Cl)Cl"]
["175671881","[145Ho]"]
["47466877","[47V]"]
["79294625","[66Si]"]
["150076224","[B]NCN[B]"]
["32879073","O=N[S-]"]
["64015621","SP(S)S"]
["78298238","[O]S(=O)(=O)Br"]
["175672368","[202At]"]
["25156483","[CH2]SS"]
["79579798","O=N[S-].[Ag+]"]
["79533312","[N]=P"]
["175671648","[122Cs]"]
["192389231","O=[13N+]([O-])[O-]"]
["185991735","[2H]PF.[V]"]
["172127799","[2H]PF.[PH].[V]"]
["78141986","[BH+]B.[H].[Pb-]"]
["48326017","P.[2H]PF.[V]"]
["60966612","[2H]PF"]
["175671628","[120La]"]
["163563388","[176Hf]"]
["79523526","[110P]"]
["64872361","O[Si](Cl)(Cl)Cl"]
["52492646","[51Cr+6]"]
["175671327","[86Ge]"]
["79964147","[155Au]"]
["54819707","[2H][N+](C)(C)C"]
["175671200","[70Mn]"]
["91230890","Cl[CH-]Cl.[Y]"]
["91537440","Cl[CH-]Cl.[Sm]"]
["185463811","Cl[CH-]Cl.[Na+].[Na+]"]
["54848745","Cl[CH-]Cl.[Ti+2]"]
["43010211","Cl[CH-]Cl.[Ti]"]
["50197418","Cl[CH-]Cl.[Zr+2]"]
["50369240","Cl[CH-]Cl"]
["194485473","Cl[CH-]Cl.[Fe]"]
["78959566","Cl[CH-]Cl.[Na+]"]
["64437269","[3H][Te][3H]"]
["61702469","POI"]
["175672208","[176Ir]"]
["101703255","[SiH+]C[SiH-]"]
["1097279","[O][I+2]([O-])[O-]"]
["79156443","C=I[O]"]
["55285495","P[Si](Br)(Br)Br"]
["97051539","C=C=[P]"]
["79230696","[O][I+2]([O-])[O-].[S]"]
["175672588","[247Am]"]
["46290986","C[As]1(C)[OH+]S1"]
["101239029","B1C2BC1B2"]
["175672583","[245Md]"]
["79752066","[Cr+5].[O-][Si]([O-])([O-])[O-].[OH-]"]
["185178487","P[SiH](Cl)Cl"]
["175672511","[229Pu]"]
["175796762","[Cr+5].[Ti+4].[V]"]
["185218325","O.[Cr+5]"]
["32775838","[147Nd]"]
["175671721","[130Ag]"]
["194127759","O=P([O-])([O-])[O-].[Cr+5].[O-2]"]
["185321665","I[PH2+]I"]
["175670941","[27Na+]"]
["97360897","[N]=[O+]B([O+]=[N])[O+]=[N]"]
["175671098","[54Sc]"]
["174053795","[Nb].[SeH][SeH]"]
["34393340","[153Tb]"]
["175511666","[Nb].[SeH][SeH].[W]"]
["174898999","[Cu].[SeH][SeH]"]
["177586194","[Pt].[SeH][SeH]"]
["175672288","[188Tl]"]
["175116811","[Hf].[SeH][SeH]"]
["78329558","CN=[SiH2]"]
["174915781","[Pd].[Pd].[SeH][SeH]"]
["174224889","[Ru].[SeH][SeH]"]
["167429820","N1=P[Se]1"]
["79634802","[101W]"]
["69617552","C[P+](=[N])[S]"]
["184631745","O[B-]O.[Y].[Y]"]
["79781689","[105Ni]"]
["171924765","O[B-]O.[K+]"]
["171947161","O[B-]O.[Na+]"]
["48838019","O[B-]O"]
["174952942","I.O[B-]O.[K+]"]
["91166904","CC=[Ge]"]
["173920516","O[B-]O.[HH].[Na+]"]
["195122310","[212Pb+2]"]
["175671849","[142Eu]"]
["54347800","O[AsH]Br"]
["65297855","Br[AsH]I"]
["185602016","Br[AsH]Br"]
["180624111","Cl[PH+]=[Se]"]
["171039455","FC(F)=[AsH]"]
["58224626","N[Si]1CC1"]
["175671068","[49Ar]"]
["27307796","[113In]"]
["79723877","ClN(Cl)Br"]
["190147139","NO[SiH3].NO[SiH3]"]
["79031832","NO[SiH3]"]
["175671540","[112Sb]"]
["67986387","C.SCS"]
["42523159","O[N-][N-]O.[Na+].[Na+]"]
["60413591","[120Xe]"]
["79890387","S=[Si]Cl"]
["179628205","[O-][As](Cl)Cl"]
["54257010","O=[Si]Cl"]
["79290702","[21SH2]"]
["172819491","O=[Si]Cl.[Na+]"]
["25381799","SCS"]
["33934800","[18O]=S(Cl)Cl"]
["175671184","[67Se]"]
["79198749","C[N+](C)(C)I"]
["97001629","[2H]C([2H])=[Si]"]
["27305756","[77Br]"]
["175671971","[154Dy]"]
["171997717","N[CH-]P.[V].[V]"]
["96574749","[2H]C#[S+]"]
["45615606","C#[S+]"]
["79301989","[Fe+].[NH]NN[NH-]"]
["173823727","[B]1CSC1"]
["91454743","C1=[Si+]C1"]
["78596346","[54SH2]"]
["200579546","OO.[F-]"]
["162300798","O.OO.[Li+]"]
["174809235","F.[SiH4].c1ccccc1"]
["78335153","OO.[Hf]"]
["79954910","[Cu].[N].c1ccccc1"]
["79353521","OO.[Ce].[Ce]"]
["174650986","OO.[BH4-].[Na+]"]
["174477428","Br.CC.c1ccccc1"]
["21939011","OO.P.P"]
["172841764","C=C.OO.c1ccccc1"]
["67793692","OO.[CH3-].[Mn]"]
["79302478","[135Pb]"]
["78588545","N#C[O].[O]"]
["185614505","[O]C#[As]"]
["26790673","C#C[O]"]
["1104430","N#C[O]"]
["78952070","N#C[O].[N]"]
["96714877","[C+]#C[O]"]
["175670896","[18Ne]"]
["174283584","[H-].[Na+].[nH]1os1"]
["171037018","FPF.[B]"]
["46609619","FB(F)Cl"]
["91648244","F.FPF"]
["174058023","FPF.[H-].[Li+]"]
["172812440","FPF.FPF.[Na+]"]
["91119205","FPF.[Ge]"]
["78343858","BPF"]
["91119328","FPF.[Sn]"]
["172220156","[2H]C[Se]"]
["172026621","FP[P-]"]
["43632682","[Bk]"]
["53115992","CO.[Bk]"]
["175329214","[Bk].[Fe]"]
["174312292","[Bk].[Cl-].[Cl-]"]
["91332212","[Al].[Al].[Bk]"]
["103005509","[SiH]#[GeH].[SiH]#[GeH].[SiH]#[GeH]"]
["60206019","[Bk].[H-]"]
["47957364","[Bk].[CH3-]"]
["174650851","O.[Bk]"]
["100552313","[Bk].[O]"]
["174586449","I.[Bk]"]
["174792557","[Bk].[Zn]"]
["175671599","[118Rh]"]
["173210957","[B]=S.[H-].[Li+]"]
["58206707","[B]=S"]
["12198427","C[15C]#N"]
["79493030","[B]=S.[Li+]"]
["172010822","[B]=S.[V]"]
["193572143","S.[B]=S"]
["59663263","[B].[B]=S.[V]"]
["174869727","B#B.[B]=S"]
["174944963","[B]=S.[Ni]"]
["64945695","[B]=S.[I-].[Y+]"]
["42754099","C[14CH3]"]
["175671101","[54Co]"]
["175709967","[Mn].[Si-]#[Te+]"]
["192332192","[F-].[SiH3]Cl"]
["191528455","Br.[SiH3]Cl"]
["79201862","Cl.Cl.[SiH3]Cl"]
["54830033","[Si-]#[Te+]"]
["22718815","[SiH3]Cl"]
["174705092","O=[Si](Cl)Cl.[SiH3]Cl"]
["175068016","[Mn].[SiH3]Cl"]
["173046184","[HH].[SiH3]Cl"]
["190159663","F[SiH3].[SiH3]Cl"]
["79822681","[H+].[SiH3]Cl"]
["62236079","[37ClH]"]
["46094493","[B]=[Te]"]
["78459358","C=[Si]=S"]
["83057281","F[Si]=S"]
["96592806","[C+]C"]
["78187743","N.S=[Si]=S"]
["175671305","[83Nb]"]
["78706449","S[AsH]S"]
["79890381","S=[Si]Br"]
["24102887","S=[Si]=S"]
["79129777","O=[Si]=S"]
["97833086","B1C2=C1[BH-]2"]
["175671876","[145Ba]"]
["79801774","[145Rh]"]
["175242412","[CH]O.[Os]"]
["97807371","[37Cl]CC[37Cl]"]
["176038360","[GeH]=[Te]"]
["175671413","[97Ag]"]
["176038359","[GeH]=[Te].[OH-]"]
["69551976","[CH]O.[Cr]"]
["174346315","[CH]O.[V]"]
["66343642","[CH]O"]
["186049177","[CH]O.[Pb].[Pb]"]
["79640845","[Al].[CH]O.[H]"]
["78365259","[82SH2]"]
["44177913","O[PH2+]F"]
["102098976","[S-][PH2+]S"]
["102014671","O[PH2+][S-]"]
["183714724","S[PH2+]S"]
["161923821","S=[As-].[Fe+]"]
["47971135","O[PH2+]O"]
["78051635","[3H]BC"]
["66152269","F[PH2+]F"]
["183524120","F[PH2+]F.F[PH2+]F.[Ru]"]
["24787925","[Te]=[As][Te][As]=[Te]"]
["70078378","C[PH2+]I"]
["33027857","[109Cd+2]"]
["176443766","C[Se+](C)C.[F-]"]
["79240525","[SiH]1[SiH2][SiH2]1"]
["62256405","C[14C]#N"]
["66765391","I[Si](I)I"]
["79226601","[SiH]1[SiH2][SiH2][SiH2][SiH2]1"]
["175672173","[172Ir]"]
["57278294","C[As](C)[O]"]
["79227137","[SiH]1[SiH2][SiH2][SiH2]1"]
["197061099","[109Cd+2].[Cl-].[Cl-]"]
["101015117","[C]1=C=[C+]1"]
["1071970","C[Se+](C)C"]
["79822599","[226Pb]"]
["168458723","[B-]1N[B-]N1"]
["1073940","OP(O)(O)=[Se]"]
["175670930","[25Ne]"]
["159117420","OP(O)(O)=[Se].OP(O)(O)=[Se]"]
["175672610","[252No]"]
["48566624","[143Nd]"]
["91176454","O.O.O=S(=O)=O"]
["200580925","C.O=S(=O)=O"]
["167341141","O=S(=O)=O.[Na+]"]
["192921270","C#C.O=S(=O)=O"]
["169741720","O=S(=O)=O.[H-].[Na+]"]
["78170915","O=S(=O)=O.[Se]"]
["91664301","CN.O=S(=O)=O"]
["79137214","O=S(=O)=O.[Mg+2]"]
["175672596","[248Md]"]
["79318762","F.O=S(=O)=O"]
["173410692","N.O=S(=O)=O.S"]
["33039832","[137Ce]"]
["54100325","[2H][S]"]
["884647","C1COC1"]
["185006744","[14CH3]ON"]
["175672078","[163Ta]"]
["116260162","[14CH3][14CH]=O"]
["78416304","BN=O"]
["49846149","[NH-][S]"]
["161684163","C1COC1.F"]
["51445054","C1COC1.C1COC1"]
["193163953","C1COC1.C1COC1.C1COC1"]
["175672473","[222Po]"]
["176329093","F[N+](F)(F)F.[Cu]"]
["172830310","F[N+](F)(F)F.N"]
["59646916","C[N+](C)(C)F"]
["53910758","C[17O]P([17O]C)[17O]C"]
["79207552","N[N+](F)(F)F"]
["78255885","F.F.F[N+](F)(F)F"]
["100752125","F[N+](F)(F)F.[F-]"]
["79321312","O[N+](F)(F)F"]
["65371227","C[N+](C)(C)S"]
["174821668","F[N+](F)(F)F.OB(O)O"]
["158309436","F[N+](F)(F)F.F[N+](F)(F)F"]
["175671553","[114Nb]"]
["54432429","[3H][O-].[Na+]"]
["25332110","[CH]1NN1"]
["45968811","[3H][O-].[Li+]"]
["50612562","[3H][O-]"]
["91011001","C1=PP1"]
["66508236","S[Si]S"]
["172406007","O[Si]S"]
["62853990","[3H][O-].[3H][O-].[Ca+2]"]
["59952831","N=[N+]=[As-]"]
["185391778","N[Si]S"]
["49394166","[3H][O-].[K+]"]
["61099543","[18OH][18OH]"]
["78150135","[28P]"]
["79101206","CC(=O)[PH2]=O"]
["175671182","[67Ni]"]
["78225613","[Br-].[Tb+]"]
["170487961","[Se]=[As]([Se-])([Se-])[Se-]"]
["79727269","FI(F)I(F)F"]
["78287861","O[Ge](O)O"]
["78359830","[F-].[O].[Tb+]"]
["168862969","[F-].[K+].[Tb+]"]
["79409817","[Cl-].[Tb+]"]
["79150575","[OH-].[Tb+]"]
["68339543","O=[Ge](O)O"]
["83496554","O.[Cl-].[Tb+]"]
["55285047","CC([O-])([O-])[O-]"]
["185874089","[Si+3]"]
["79782789","Sn1oo1"]
["96854689","P1C23PC24PC134"]
["157625083","O=P([O-])([O-])[O-].[Si+3]"]
["50866934","[La].[La]"]
["91228301","[In].[La].[Ni]"]
["174443483","O.[La].[Nd]"]
["172686497","[Cl-].[F-].[La]"]
["79607327","Cl.O.[La]"]
["175296874","[Co].[La].[Mo]"]
["79428671","[Ca+2].[Fe].[La]"]
["160798128","[La].[Mo].[Y]"]
["175289938","[Br-].[La].[Li+]"]
["159226336","[Bi].[La].[Zn]"]
["160777975","[Al].[La].[Yb]"]
["175077092","C.O.[La]"]
["34118422","[178Lu]"]
["56318615","[B]OS"]
["175671914","[149La]"]
["49835275","O=S(Cl)(Cl)(Cl)Cl"]
["78278980","[8C]"]
["54576432","O=BS"]
["175672297","[190Ta]"]
["79081171","[64O]"]
["175671756","[133Sb]"]
["61132327","P[B]Cl"]
["67418249","[147Pr]"]
["193949648","I.[2H]P([2H])C"]
["50233108","[2H]P([2H])C"]
["184771913","[2H]PC.[Bi]"]
["54367577","[3H]PC"]
["175671235","[75Zn]"]
["54043281","[2H]PC.[U]"]
["97630519","C[O+].[Be-]"]
["50516701","[2H]PC.[V]"]
["192979427","[2H]P([2H])C.[W]"]
["79490612","[8Mn]"]
["184028856","C[N+](C)([SiH3])[SiH3]"]
["1104179","[O-]N=N[O-]"]
["79399830","[SiH3][N+]([SiH3])([SiH3])[SiH3]"]
["161663560","[Ag+].[Ag+].[O-]N=N[O-]"]
["79360262","C[N+](C)(C)[SiH3]"]
["100370743","N[N+]([SiH3])([SiH3])[SiH3]"]
["91247540","S=[Ge](Br)Br"]
["32207254","[Na+].[Na+].[O-]N=N[O-]"]
["110852672","[SiH3][N+]([SiH3])([SiH3])Cl"]
["61040722","[siH]1[siH][siH][siH][siH][siH]1"]
["45362117","[151Gd]"]
["160660841","C[CH-]C.[CH3-].[Zr+2]"]
["81510375","C[CH-]I"]
["55412524","C[CH-]C.[Li+]"]
["168518085","B1=[B-]=B1"]
["65538457","C[CH-]O.C[CH-]O.[Y+3]"]
["185386340","C[CH-]C.C[CH-]C.[Pt+2]"]
["170982431","C[CH-]O.[K+]"]
["52910999","C[CH-]C.C[CH-]C.[Zn+2]"]
["171874128","C[CH-]C.[CH3-].[V+2]"]
["43396808","C[CH-]C.C[CH-]C.[Y+3]"]
["179927539","C[CH-]C.[Ce]"]
["175671867","[144La]"]
["175672253","[183Lu]"]
["91578529","O=[Si](S)Cl"]
["79092649","[1As]"]
["97712951","Br[Si]1(Br)C=C1"]
["174841041","N12[Si]34N5[Si]16N3[Si]25N46.[N].[Ti]"]
["163638747","N12[Si]34N5[Si]16N3[Si]25N46.[Mg+2].[O-2]"]
["197709055","O[Si]1(O)[Si](O)(O)[Si]1(O)O"]
["61943803","Br[Si]1(Br)O[Si](Br)(Br)O[Si](Br)(Br)O[Si](Br)(Br)O1"]
["91550175","O1[Si]23O[Si]12O3"]
["97277532","[SiH2]1[Si]23[SiH2][Si]12[SiH2]3"]
["25883700","[CH]=CI"]
["79272949","Br[Si]1(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br"]
["84159018","I[Si]1(I)[Si](I)(I)[Si](I)(I)[Si](I)(I)[Si]1(I)I"]
["174825356","N12[Si]34N5[Si]16N3[Si]25N46.N12[Si]34N5[Si]16N3[Si]25N46"]
["175672674","[264Hs]"]
["78981898","[N]=[TeH2]"]
["138284","ClC(Cl)(Cl)C(Cl)(Cl)Cl"]
["97788521","[2H]C([2H])N"]
["79677829","ClC(Cl)(Cl)C(Cl)(Cl)Cl.ClC(Cl)(Cl)C(Cl)(Cl)Cl"]
["172776361","Cl.[2H]C([2H])N"]
["175672700","[271Bh]"]
["65160968","ClC(Cl)(Cl)[13C](Cl)(Cl)Cl"]
["175670955","[30Ne]"]
["61204152","[C-]#I"]
["32786255","[230U]"]
["67145089","C=[Cl+](C)I"]
["32747584","[200Pb]"]
["32818048","C#C[131I]"]
["170532377","[BH3-]N[BH3-]"]
["83221917","[200Pb].[H].[H]"]
["79675904","[150Cr]"]
["96843722","[2H]C1=C([2H])/C([2H])=C([2H])/C([2H])=C([2H])\\C([2H])=C\\1[2H]"]
["103063553","[2H]C1=C([2H])/C([2H])=C([2H])\\C([2H])=C([2H])/C([2H])=C\\1[2H]"]
["96686161","P=C=S"]
["25998774","C=[Si]=O"]
["91016006","[B]=[Si]=C"]
["90998609","C=[Si]=N"]
["78595896","[40SH2]"]
["161682023","C=[Si]=P"]
["78694059","[2H][SH](C)(C)=O"]
["91200662","C=[Si]=[Si+]"]
["102908144","[2H]C1=C([2H])/C([2H])=C([2H])\\C([2H])=C([2H])/C([2H])=C([2H])\\C([2H])=C([2H])/C([2H])=C([2H])\\C([2H])=C([2H])/C([2H])=C\\1[2H]"]
["78510862","[1C]"]
["161660871","C[Te](C)Br"]
["45618809","C[AsH2]"]
["190365162","C[AsH2].[Mn]"]
["64750067","C[Te](C)C"]
["78229460","Br.Br.C[AsH2]"]
["91160099","S[Si+](S)S"]
["173091953","P1P[Se][Se][Se][Se]1"]
["174037677","C[Te](C)P"]
["54288720","C[AsH2].[I-].[I-]"]
["172780804","C[AsH2].Cl"]
["42369205","C[Te](C)=O"]
["175671198","[69Se]"]
["60165088","S=PCl"]
["44243646","S=PI"]
["96992255","C1CP=P1"]
["69676248","N.N.SSS"]
["26420670","CP=S"]
["192448985","CP=S.CP=S"]
["79187487","[S]P=S"]
["61647054","FP=S"]
["175965715","I[N-]I.[Li+]"]
["182478973","Cl[N-]I"]
["191369968","NN.SSS"]
["78266042","[147Co]"]
["79733664","B[SeH]"]
["91640735","[C-]#C[Si+].[Sn]"]
["168459882","[C-]#C[Si+]"]
["79713310","B[SeH].[GeH4]"]
["91643683","C#C[Si+]"]
["69625584","B#S[Si](S#B)(S#B)S#B"]
["175672643","[258Sg]"]
["171814827","F[IH+](F)(F)(F)F.[Sb]"]
["175671726","[130La]"]
["175672076","[163Lu]"]
["174284228","[B+]=[P-](C)(C)(C)C"]
["79677871","[17Ti]"]
["34272954","F/N=N/F"]
["175670990","[35P]"]
["79482548","FN(F)F.[B]"]
["50471788","FN(F)F.O"]
["79644832","FN(F)F.[He]"]
["194261567","Cl.FN(F)F"]
["79853695","FN(F)F.[Ar]"]
["78081312","F.FN(F)F"]
["178028960","FN(F)F.[SiH4]"]
["44822619","F/N=N\\F"]
["32517394","[Ba+2].[N-]=[14C]=[N-]"]
["79698483","[6Ni]"]
["175672631","[256Lr]"]
["58833907","[CH2+]CO.[I-]"]
["177099672","[N-]=[O+]N.[Pt]"]
["79007430","[N-]=[O+]Cl"]
["51384563","[CH2+]CO"]
["79122116","[N-]=[O+]S"]
["97228973","ClC[37Cl]"]
["97146792","[37Cl]C[37Cl]"]
["78956196","[155Fe]"]
["78098011","[N-]=[O+]N"]
["1105871","[Fr-]"]
["175671730","[130Pm]"]
["79729947","[155Co]"]
["53902202","[O-]CO"]
["97187112","[N]=C[O+]"]
["144581303","[OH+]=P"]
["175672710","[276Mt]"]
["161639303","I[Si](I)(I)I.[Si]"]
["100354929","O.[Cl-].[Nd+]"]
["174051120","I.I.I[Si](I)(I)I"]
["176280591","C.I[Si](I)(I)I"]
["175768045","I[Si](I)(I)I.O"]
["192136562","I[Si](I)(I)I.I[Si](I)(I)I"]
["169403540","[224Ra+2]"]
["74906305","CC1(C)PPC1(C)C"]
["78595386","[Nd+].[O-]O"]
["78640631","[F-].[Nd+]"]
["175325421","O=[P-].[Nd+]"]
["170860786","[180Ce]"]
["185570286","ClP1(Cl)(Cl)NNP1(Cl)(Cl)Cl"]
["190980339","OS(O)=[Se]"]
["55042393","[90Zr]"]
["171046397","[3H][CH+]P"]
["96649822","F[Te]1(F)N[Te](F)(F)N1"]
["63907128","[B]=B[NH-]"]
["148550268","[C+6]"]
["57678301","[2H]C(P)(P)Cl"]
["78110168","[O+][GeH4-]"]
["78204712","[BH2+].[Cu-].[Zr]"]
["170217834","C[SiH](C)[O].[H+]"]
["26862711","C[SiH](C)[O]"]
["78140482","[CH]=C.[Cu-].[Li+]"]
["49224756","[N-]=S.[U]"]
["79703928","[BH2+].[Cu-].[O]"]
["177383105","[C]#N.[C]#N.[Cu-]"]
["79421868","[O+3][GeH4-].[O-2].[SiH4]"]
["79602520","[BH2+].[Cu-]"]
["175671058","[46Cr]"]
["45656973","C[Si-]"]
["1097237","[200Po]"]
["101409134","C[Si-].[Na+]"]
["79932056","[120Pr]"]
["66099994","C[Si-].[K+]"]
["175671482","[105Sn]"]
["79090462","[CH2]C=C.[NH].[Os]"]
["79202369","[CH2]C=C.[Mn]"]
["173008451","[Al].[CH2]C=C.[HH]"]
["78355139","[CH2]C=C.[Co]"]
["79121705","Cl.[CH2]C=C.[Zn]"]
["173067144","I.[CH2]C=C.[Sn]"]
["103003550","[Br-].[CH2]C=C.[Zn]"]
["145747392","[CH2]C=C.[H-].[Zn]"]
["173067207","Cl.[CH2]C=C.[Sn]"]
["78358756","[CH2]C=C.[Cr]"]
["96985906","[CH2]C=C.[CH2]C=C.[Sr]"]
["175670954","[29S]"]
["62261384","S=S(I)I"]
["91096477","[nH]1p2[nH]p12"]
["174405577","ClC(Cl)(Cl)[TeH]"]
["79656595","[124Pb]"]
["91185099","N[OH2+]"]
["175671993","[156Er]"]
["64684786","N.N[OH2+]"]
["145261291","[174Mo]"]
["171702905","C[C](C)C.[Al-]"]
["190583636","[Fe+2].[O+]P.[O-2]"]
["66198232","N[O+].[V]"]
["192398699","[Cu].[Li+].[O+]#[Si-]"]
["193091023","[Lu].[O+]#[Si-].[Yb]"]
["33596873","N[O+]"]
["79652013","[C-]#[O+].[Pb]"]
["191948927","[Mo].[O+]#[Si-]"]
["79105894","N#[O+].[Cl-]"]
["190262838","CN.[O+]P"]
["78951611","[K+].[O+]#[Si-]"]
["175672678","[265Hs]"]
["185207269","F[N-]Br"]
["185098950","Cl[N-]Br"]
["91590003","[N]=N.[Ne]"]
["79905464","O=S=S=O"]
["60534074","[N]=N"]
["180534705","Br[N-]Br"]
["175671343","[88As]"]
["52935385","FB=BF"]
["96817507","[C]1=[S+]C1"]
["79627097","[134N]"]
["66671013","[3H][C-]=CC=[C-][3H].[Y]"]
["79127360","[BH2+].[H].[Pb-]"]
["97287992","[CH]=C.[Pb-]"]
["79306741","[134B]"]
["60149922","C[11C](C)=O"]
["68849523","CC(C)=O.CC(C)=O"]
["23087143","C[13C](C)=O"]
["55750517","N=[14CH]O"]
["179626277","[SH2+]Br"]
["68248405","C[13C]([13CH3])=O"]
["24523635","[13CH3][13C]([13CH3])=O"]
["57285502","CC([13CH3])=O"]
["64049270","CC(C)=O.CC(C)=O.CC(C)=O"]
["65407540","CC([11CH3])=O"]
["175672097","[165Tb]"]
["34056980","[169Er]"]
["79480376","F[1CH]Cl"]
["79267874","O=S(=S)=S"]
["22814518","[S][As]=S"]
["96557847","[2H]C12C3([2H])C4([2H])C1([2H])C1([2H])C2([2H])C3([2H])C41[2H]"]
["23659018","S=[As][As]=S"]
["164227362","[1PH3]"]
["79048192","[70SH2]"]
["172812354","F[GeH2].[GeH3]"]
["79007406","[nH]1o[pH]1"]
["174580762","[H-].[Na+].[nH]1o[pH]1"]
["1098618","[8He]"]
["157879290","C.O=[35S](=O)(Cl)Cl"]
["157879291","O=[35S](=O)(Cl)Cl"]
["185368389","F[GeH2].F[SiH2]"]
["175671655","[123Cd]"]
["185368390","F[GeH2]"]
["173958797","F[GeH2].F[GeH2]"]
["79057155","[22Cr]"]
["60220784","C[Si](P)(P)P"]
["47767445","P[Si](P)(Br)Br"]
["61409958","[144Ce+4].[O-2].[O-2]"]
["32190409","[35S-2]"]
["193473113","C[Si](C)(C)P.C[Si](C)(C)P"]
["175670905","[20Mg+2]"]
["46499700","P[Si](P)(P)Br"]
["53470956","P[Si](Cl)(Cl)Cl"]
["25570661","C[Si](C)(C)P"]
["66018484","C[Si](C)(P)P"]
["79919793","[122Tl]"]
["79194471","[115Pb]"]
["78136405","[1Nb].[Zr]"]
["175671900","[147Er]"]
["175672169","[172Ho]"]
["97831869","[2H][SiH3]"]
["26514381","[SiH3][C+]=[SiH3-]"]
["79408567","B[C+]=[BH2-]"]
["97241204","P[C+]P"]
["97491925","[SiH3-]=[C+]P"]
["97094519","C=[C+][SiH3]"]
["175670942","[27Si]"]
["96688827","[C+]CO"]
["79498834","[159Pt]"]
["79153553","[Ag].[TeH3]"]
["79070170","[TeH3].[Ti]"]
["78341133","[GeH4].[Ta].[TeH3]"]
["79589544","[Cd].[Hg].[TeH3]"]
["78287779","[Cd+].[Cl-].[TeH3]"]
["78216122","[Ag].[Cd].[TeH3]"]
["79868739","[Mo].[TeH3]"]
["78437923","[Pb].[TeH3]"]
["79319364","[Na+].[TeH3]"]
["79287482","[Be].[TeH3]"]
["79015277","Cl.Cl.[TeH3]"]
["175672278","[187Ta]"]
["101705227","[CH2+][SiH3]"]
["78478412","[3H][PH]([3H])([3H])[3H]"]
["175671391","[95Kr]"]
["54177891","[38Ar]"]
["42573564","B#SS"]
["64762340","[147Sm]"]
["79883022","[140V]"]
["174665006","C.N#CI"]
["191504121","I.N#CI"]
["172783163","N#CI.[Na+]"]
["25236703","N#CI"]
["175672512","[229Am]"]
["51177658","[3H]C(C)=C([3H])C"]
["161443476","CC(F)(F)C(C)(F)F.CC(F)(F)C(C)(F)F"]
["42974349","[CH-]=NC"]
["174924402","[CH-]=NC.[U]"]
["96523301","[CH2][Cl+]Cl"]
["97792249","C[B-]#[B-]C"]
["47582640","[BH3-]N(C)C"]
["44645753","[CH-]=NC.[Y]"]
["79642993","Cl.[90Y]"]
["170410361","[3H]/C(C)=C(\\[3H])C"]
["64892844","[CH-]=NC.[V].[Y]"]
["79872635","[53Co]"]
["79481220","B[SiH3].[Li+]"]
["79947042","B[SiH3].[Co]"]
["79448928","B[SiH3].[Ni]"]
["78231236","B[SiH3].[Ti]"]
["52844052","[3H]P([3H])[B]"]
["78969591","B[SiH3].[Cr].[Ni]"]
["79096978","B[SiH3].[Mo]"]
["100142362","B[SiH3].[Zr]"]
["78210796","B[SiH3].[Co].[Pd]"]
["59157932","B[SiH3]"]
["79238826","B[SiH3].[Cu].[Zr]"]
["175672454","[216Th]"]
["175862466","O1O[I-]1"]
["100856287","N[CH+]O"]
["55672620","[Si+]P[Si-]"]
["175672470","[221Ra]"]
["173152072","O[B][OH2+]"]
["101305169","[BH+]C#C"]
["101305165","[BH+]S"]
["101305166","[BH+]C"]
["32336758","[77BrH]"]
["161214421","[2H]SS"]
["101305163","[BH+]O"]
["175671106","[55Ti]"]
["15769556","[2H]SS[2H]"]
["175671498","[107Sb]"]
["96627367","C[O-].[CH3].[Cd+]"]
["186477974","[Cd+].[Hg].[TeH-]"]
["78876303","[Cd+].[NH2-]"]
["99580476","I[CH-]I.[Zn]"]
["175671520","[109Xe]"]
["79043268","[Cd+].[Cu].[SeH-]"]
["167227074","I[CH-]I.[Na+]"]
["78152761","I[CH-]I.[K+]"]
["97523445","[CH3].[Cd+]"]
["175671119","[57Cu]"]
["62503731","I[CH-]I"]
["79062341","[16Ni]"]
["1097961","[TeH3-]"]
["78647599","C=PP=C"]
["175894024","I[Ge](I)I.[Li+]"]
["172824839","I[Ge](I)I.I[Ge](I)I"]
["32329338","N#[13N]"]
["173958791","I[Ge](I)I.[GeH2]I"]
["173958793","I[Ge](I)I.[GeH3]"]
["83055630","[Se]1[Se][PH+]2[Se][Se][PH+]1[Se]2"]
["84050155","I[Ge](I)I"]
["79465218","[105Co]"]
["61624983","[246Cf]"]
["25863150","[SiH3]CCl"]
["79011081","[127Pb]"]
["174289102","[H+].[SiH3]CCl"]
["174678714","O=[GeH2].[GeH4].[SiH3]C[SiH3]"]
["162305656","Cl.[SiH3]CCl"]
["97616378","[O-]C[SiH3]"]
["79690702","[GeH4].[SiH3]C[SiH3]"]
["26815193","[O]C([O])=O"]
["23077151","[SiH3]C[SiH3]"]
["175672026","[159Er]"]
["26086663","[CH2]C[SiH3]"]
["175671246","[76Rb]"]
["78535097","C1#CP1"]
["175672011","[158Nd]"]
["187281846","F[XeH2]F"]
["33676103","[240Pu]"]
["175672453","[216Tl]"]
["194080879","[Nb+5].[O-][Si]([O-])([O-])[O-].[Ti+4]"]
["33105809","[K+].[Nb+5].[Ta+5]"]
["169813646","[Nb+5].[O-2]"]
["161931348","[Co+2].[Nb+5].[O-2]"]
["169813647","[Nb+5].[P-3]"]
["192235818","[N]=C[S].[Ru+]"]
["191137714","O=P([O-])([O-])[O-].[Mn+2].[Nb+5]"]
["158436910","O=P([O-])([O-])[O-].[Nb+5].[Sr+2]"]
["193540055","O=P([O-])([O-])[O-].[Ba+2].[Nb+5]"]
["193942078","[Cd+2].[Nb+5].[O-2]"]
["26110642","O=C[S]"]
["166865773","[124PH3]"]
["97783981","[2H][13C]([2H])([2H])[O-]"]
["63050913","BBr"]
["97012638","[2H]C([2H])([2H])[O-].[Li+]"]
["64004904","[2H]C([2H])([2H])[O-].[Na+]"]
["97886716","[2H]C([2H])([2H])[O-].[Cu+]"]
["97538147","[2H][13C]([2H])([2H])[O-].[Cu+]"]
["60190370","N1NPP1"]
["193869340","I.N1NPP1"]
["79930716","BBr.N"]
["57071385","[2H]C([2H])([2H])[O-]"]
["78184060","[106Cr]"]
["52975341","[82Kr]"]
["83228772","[73SeH2]"]
["79482093","[Cm+4].[O-2].[O-2]"]
["175672390","[206Au]"]
["78954841","[Ge].[SiH]#[As]"]
["173046242","[SiH]#[As]"]
["33648659","[Rh+5]"]
["174696568","[12BH3]"]
["27202953","[AsH+2]"]
["32294582","[17O]=[17O]"]
["45322053","[18C-]#[18CH].[S].[V]"]
["78305152","[N]=PF"]
["79149815","[241Pb]"]
["78132560","[4Fe]"]
["59621799","O[Se].[Zn]"]
["67266098","[2H][I-]([2H])(I)I"]
["65576858","CN=[P-]"]
["78595952","[140Mn]"]
["79838518","[121Ar]"]
["195114238","[138Cs+].[H-]"]
["60059674","O[Se]"]
["42272720","C=[P+](O)O"]
["97359863","[2H][C+]=[C+][2H]"]
["91643855","O[P+](O)O"]
["150566449","[92BH3]"]
["50667183","S=[S](=S)S"]
["103056278","FC1C2C(F)C12"]
["173022667","[PH3+]OBr"]
["191558013","C12C3C1C23.C12C3C1C23.C12C3C1C23"]
["175048859","[B]OBr"]
["171108069","C12C3C4C5C6C5C(C14)C2C63"]
["175578411","[B]O[B].[Hf]"]
["100889086","C12C3C1C1C4C5C6C5C1C3C6C24"]
["47138976","C12C3C4C1C1C2C2C1C1C5C4C3C5C21"]
["46552499","C12C3C4C1C1C5C6C1C2C3C6C54"]
["97163363","C12C3C4C5C6C1C2C1C(C34)C1C65"]
["78246236","[220Hg]"]
["91221090","O[Si](O)(O)[Si](O)(O)O"]
["91428960","C1#CC1=C1C#C1"]
["65458345","C=NP"]
["44555228","[3H]P[B-]"]
["150338301","[NH2+]=CP(C=[NH2+])C=[NH2+]"]
["170532242","[Se-]O[Se-]"]
["82242316","[133CH4]"]
["43760772","N=S(O)O"]
["83064299","FC(F)=[Si]"]
["64622769","FC(F)(P)P"]
["173205225","N=S(O)O.S"]
["82338140","CC(C)=[Si]"]
["64015792","NC=S=S=CN"]
["173958798","IB(I)B(I)I"]
["1105897","[OH+]"]
["100921345","FC(F)(F)[Te-]"]
["167579826","[6Ti]"]
["175672386","[205Rn]"]
["79597763","CC(C)(C)[Te-].[Li+]"]
["167232327","CC(C)(C)[Te-].[Mg+2]"]
["189842631","P=S(P)[S-].[U]"]
["78154084","O[N+](O)(O)[S-]"]
["175671610","[119Rh]"]
["100647693","[5CH4]"]
["96822378","[2H][O+](C)C"]
["27308615","[121I-]"]
["83226508","[91Sr].[H].[H]"]
["27308768","[91Sr]"]
["175672371","[202Ra]"]
["78223686","[3P]"]
["175671140","[61Ti]"]
["197060827","[81Br-].[In+]"]
["175672463","[219Ra]"]
["32729120","[81Br-]"]
["33861173","[75BrH]"]
["175671222","[73Sr]"]
["175670993","[36Mg+2]"]
["27002407","C=[O+][NH-]"]
["78695342","N#S(=N)F"]
["1100040","[208Po]"]
["97050063","C#C[Br+]"]
["199364740","[BH3-][NH+](C)C.[K+]"]
["23799884","[BH3-][NH+](C)C"]
["175672017","[158Lu]"]
["175945800","N=S(F)F.N=S(F)F.[K+]"]
["79040464","O=[S](=O)O.O=[S](=O)O.[Ca+2]"]
["78257618","[As-]=[AsH].[As-]=[AsH].[Mn+2]"]
["174908916","O=S(=O)=[SiH2].[HH]"]
["42669415","CS(=P)I.[Ti]"]
["79838421","O=[S](=O)O.[NH4+]"]
["79569615","O=[S](=O)O.[Ti]"]
["46258448","O=[S](=O)O.[Y]"]
["79872699","S=S(=S)=S"]
["78324027","O=[S](=O)O.[V]"]
["46993739","[CH2+]C=[As-]"]
["51679697","[219Fr]"]
["73939396","C[PH]12P3P1[PH]32C"]
["91255937","[B]=[Si]1CC1"]
["175671897","[147La]"]
["175672235","[180Lu]"]
["78543523","[AtH].[Pt]"]
["99435483","[O]C=[As]"]
["1100600","[C]#[C+]"]
["79801875","[AtH].[Bi]"]
["174812327","NO.[AtH]"]
["175771381","[AtH].[Sn]"]
["174789290","ClCCl.[AtH]"]
["168458763","NC=[As]"]
["79320000","[AtH].[Cu]"]
["174971492","FC(F)(F)F.[AtH]"]
["32053920","[Pu+4]"]
["175084897","O=[SiH].[Co].[O]"]
["79000829","O=[SiH].[Li+]"]
["174813801","O=[SiH].[O].[Sb]"]
["174540714","O=[SiH].[H-].[Zr]"]
["96869591","p1p[pH][pH]1"]
["79693764","O=[SiH].[W]"]
["175433495","O=[SiH].[In].[O]"]
["79732034","O=[SiH].[Mo]"]
["78271823","O=[SiH].[O].[Y]"]
["175671646","[122Cd]"]
["78282524","O=[SiH].[Bi].[O]"]
["27307735","[135I-]"]
["191212029","[Si+]#[Se+]"]
["53189577","ClNBr"]
["175618359","POC(P)(P)P"]
["200455421","C.C.CC(C)=[Se]"]
["79699027","BrNBr.[Pd]"]
["176032405","[O-][N+]([O-])=P"]
["45698239","BrNBr"]
["70126469","[S-]NBr"]
["193031821","Br.BrNBr"]
["78375559","[2OH2]"]
["172862157","[B]NBr"]
["175672159","[171Ho]"]
["54289097","[Si]CBr"]
["173313894","BrCBr.[H-].[Li+]"]
["192071891","FC1(F)[B]C1(F)F"]
["650646","BrCBr"]
["48582207","[O-]CBr"]
["59904093","[OH2+][Si]"]
["190170437","BrCBr.BrCBr"]
["25585678","OCBr"]
["174980239","BrCBr.Cl.Cl"]
["79793693","BrCBr.[Br-].[Ti+]"]
["33184335","[2H]C[2H]"]
["175671695","[127La]"]
["150714378","BS(B)(B)B"]
["148586154","BS(I)(I)#I"]
["97024071","[SiH]=[SiH2]"]
["33093764","[67Zn+2].[O-2]"]
["175672108","[166Lu]"]
["197062017","[CH]=[Br+]"]
["79745855","[Cl-].[H-].[I+2]"]
["174410804","C[Ge](C)=[SiH2]"]
["51725716","o1n2on12"]
["173309961","[17CH4]"]
["175671075","[50Ca+2]"]
["175670963","[31Al]"]
["174784598","[106Mo]"]
["62503492","Cl[Si](Cl)(Br)Br"]
["62701787","[O]S([O])(=O)=O"]
["167429662","P1=P[Se]1"]
["69957040","[Se]C([Se])C([Se])[Se]"]
["79547398","NS([O])(=O)=O"]
["175672239","[180Hg]"]
["175672461","[219Po]"]
["59695781","[CH-]=NN=[CH-].[Y]"]
["177044209","CC.[CH-]=NN=[CH-].[Y]"]
["97172516","[SeH]C[SeH]"]
["52956490","[NH2+]=NCl"]
["65151239","[CH-]=NN=[CH-].[K+]"]
["1100726","[115Sn]"]
["79057925","O=[As](Cl)(Cl)Cl"]
["171040017","[47Ca+2].[H-].[H-]"]
["181331579","O=[As](O)(Cl)Cl"]
["27306164","[47Ca+2]"]
["63787063","POCl"]
["83215518","[115Sn].[H].[H]"]
["79255379","[SiH2]1[SiH2][SiH]2[SiH2][SiH2][SiH]12"]
["175672269","[185Hg]"]
["91291454","N=[As](Cl)(Cl)Cl"]
["171040010","[140Ba+2].[H-].[H-]"]
["27278694","[47Ca+2].[Cl-].[Cl-]"]
["175671122","[58Ti]"]
["33065722","[224Ra]"]
["147682929","IC1NN1"]
["1066956","[224Ra].[H].[H]"]
["23921591","N.[81BrH]"]
["68407212","[81BrH]"]
["78989297","[145Pb]"]
["175940927","N=O.[Al].[Sc]"]
["193078515","C.N=O.[Ti]"]
["193097060","C.N=O.O=O"]
["190305039","N=O.[Ba]"]
["1102688","O=[I+](=O)=O"]
["167276157","C[Se](C)(C)F"]
["176115794","C.N=O.[Mn]"]
["158250540","N=O.O.[Au]"]
["191686308","N=O.[He]"]
["192536369","N=O.[Mg+2]"]
["190891485","F.N=O"]
["175671022","[40Ti]"]
["79587798","[41P]"]
["60185919","[17O]=[13C]=[17O]"]
["79759677","NN(N)N(N)N(N)N(N)N"]
["79503769","[H-].[Si+]"]
["25060447","C[N+]C"]
["99423399","ClC(Cl)[Si]C(Cl)Cl"]
["79041513","[F-].[Si+]"]
["1098695","[Si+]"]
["47544751","C[N+]C.[I-]"]
["45061704","[17O]=C=[17O]"]
["161850027","[B-].[Si+]"]
["175672148","[169Pt]"]
["59155216","FP(F)(F)=S"]
["79719748","O[AsH]"]
["46010032","[BH3-][NH+]1CC1"]
["60529039","[Si][As]([Si+])#[Si-]"]
["42749778","S=P(S)(S)S"]
["79353634","NO[PH4]"]
["97137040","C1=C[SiH]=1"]
["33599486","[155Eu]"]
["97728559","[2H][13C]([2H])[2H].[Zn]"]
["170679406","[2H][C]([2H])[2H].[Ga]"]
["172038531","[N-]=[F+].[O].[Pt]"]
["57701844","[Os+8]"]
["175672603","[251Bk]"]
["81632426","[CH3-].[N-]=[F+].[W]"]
["54352466","[N-]=[F+].[W]"]
["97611296","[2H][C]([2H])[2H].[Mg+2]"]
["26573723","[2H][C]([2H])[2H]"]
["66725131","[N-]=[F+].[V]"]
["171907012","[N-]=[F+].[Pd]"]
["78090942","[102C]"]
["175672519","[231Ac]"]
["97804435","[At]C([At])([At])[At]"]
["84171092","[As]S#[As]"]
["91650904","B1=[As]B=[As]1"]
["50915494","[18OH]"]
["78481700","ClN=NCl"]
["1002233","IC(I)I"]
["54970917","[84Sr]"]
["68555353","I[13CH](I)I"]
["175672406","[208Ra]"]
["174863166","N.[22OH2]"]
["192824502","IC(I)I.IC(I)I"]
["175121972","ClN=NCl.P"]
["78308748","[9Tc]"]
["174863167","[22OH2]"]
["97672761","Cl/N=N/Cl"]
["174694655","[22SiH4]"]
["175670917","[22Si]"]
["171895674","OP=PO"]
["52712207","Cl[SiH](Cl)[SiH](Cl)Cl"]
["161926765","Br[GeH](Br)Br"]
["171922395","[CH+][BH2-][CH+]"]
["53290754","[167Ho]"]
["174748379","[101Zr]"]
["78256832","ClOCl.[Pd]"]
["78153214","ClOCl.[N]"]
["101724220","ClOCl.[Ca+2]"]
["193583302","ClOCl.[Sb].[Zn]"]
["175521395","ClOCl.[Ce].[Cu]"]
["172833385","ClOCl.N.[Zr+4]"]
["174763442","ClOCl.[SiH4].[W]"]
["79616399","ClOCl.O.O"]
["79234125","ClOCl.[Al]"]
["79148664","ClOCl.[Yb]"]
["192942829","ClOCl.[Np]"]
["27304542","[122I-]"]
["184819381","CC(C)(C)[18F]"]
["24466841","CC(C)(C)F"]
["83218300","[92Sr].[H].[H]"]
["79495096","[Al].[C]O.[Mg+2]"]
["194096016","CC(C)(C)F.CC(C)(C)F"]
["78172068","C.O.[C]O"]
["78189789","[Y].o1os1"]
["103048185","[C]O.[OH-].[Pb]"]
["79432835","N.o1os1"]
["66602440","CI(F)F"]
["79370940","[C]O.[Mg+2]"]
["1105887","[206Po]"]
["175671047","[44Cr]"]
["59381230","C1CN=N1"]
["187047467","[B-]CF"]
["175672478","[223At]"]
["1105794","[NH3+2]"]
["68052444","P=[Te]"]
["175671041","[43Cr]"]
["90942768","[B]1NP1"]
["79769043","[110CH]"]
["79331867","S[SeH].[Cd]"]
["183950474","N[AsH]"]
["78279061","S[SeH]"]
["175671003","[37P]"]
["66911779","[44Ti]"]
["81840642","S[SeH].[Zn]"]
["45372862","C[P+](C)=P"]
["79633327","[45Ar]"]
["175672266","[184Bi]"]
["110870123","[Se-]P[SeH]"]
["175671108","[55Cu]"]
["79906777","O=S=O.S.S"]
["79446228","O=S=O.[Na+]"]
["68510832","O=S=O.[Cl-]"]
["79076020","O=S=O.S"]
["59088827","O=S=O.[Pb]"]
["79020311","N.N.O=S=O"]
["79598628","O=S=O.[He]"]
["185412082","O=S=O.[Co]"]
["45979608","N.O=S=O"]
["79844107","O=S=O.[Mg+2]"]
["78956587","O=S=O.[N]"]
["83232331","[32SiH4]"]
["59685305","[O-]PP.[V]"]
["192031369","Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C"]
["168329734","[O-]PP"]
["173366660","O[N+2](O)[OH2+].O[N+2](O)[OH2+].[Zn]"]
["197066327","I[As](I)[As](I)I"]
["76409","Cc1c(C)c(C)c(C)c(C)c1C"]
["1106124","[32Si]"]
["79507116","[N+2].[O-2]"]
["25506851","Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C"]
["175671866","[144Ba]"]
["173500396","F[SiH2-]"]
["53305482","[13NH2]O"]
["78684849","[146Rh]"]
["97877099","[N]=[F+]"]
["175671405","[96Ag]"]
["78560930","F[SiH2-].F[SiH2-].[Mg+2]"]
["170860797","[180Nd]"]
["79891329","[145Ni]"]
["176680785","[CH-]=C.[CH-]=C.[Pt+2]"]
["64716068","[CH-]=C.[Pd]"]
["175934058","[2H]C=[CH-].[Li+]"]
["68934786","[CH-]=C.[CH-]=C.[Y]"]
["52663133","[CH-]=C.[Ti+2]"]
["161696699","[CH-]=C.[Ru+]"]
["99442941","[CH-]=C.[Cl-].[Eu+2]"]
["99442430","Br.[CH-]=C.[Eu]"]
["70187803","[CH-]=C.[W].[W]"]
["175093243","[Au+].[CH-]=C.[Pt]"]
["161684290","[CH-]=C.[H-].[Mg+2]"]
["175671193","[69Mn]"]
["79865709","[N-]=C=[N-].[N-]=C=[N-].[Zr+4]"]
["78537337","B1=C=B1"]
["56204466","C1#[Ge][Ge]#[Ge]1"]
["96878192","[N-]=C=[N-].[Zn+2]"]
["1074170","[Ca+2].[N-]=C=[N-]"]
["79074584","N[NH+](N)[O-]"]
["96765011","[C-]=[O+][CH2+]"]
["52626050","O[Te]O"]
["164298999","[Au+].[Au+].[N-]=C=[N-]"]
["101028316","[N-]=C=[N-].[Tl+].[Tl+]"]
["48251023","[Mg+2].[N-]=C=[N-]"]
["34600326","[167Dy]"]
["63903343","[Ca+2].[Ca+2].[O-][As]([O-])[O-]"]
["79952090","CN=O.[CH]"]
["166535821","N.O=NS"]
["175219684","O=N[O-].O=N[O-].[Ir]"]
["63926150","O=N[O-].[Cu+2]"]
["166433572","O=N[O-].[Re+]"]
["51176516","O=N[O-].[W]"]
["185140704","O=N[O-].[Zr]"]
["27264322","O=NS"]
["67671891","O=N[O-].[U]"]
["175168530","Cl.O=NI"]
["175672445","[214Pa]"]
["175671629","[121Tc]"]
["189300740","[Mc]"]
["161759530","[CH-]=[O+][Si].[Mn]"]
["42252424","[250Es]"]
["97058078","C1=[C-][C-]=1"]
["79306667","[O]B=O"]
["42686455","SOOS"]
["78644073","[140Si]"]
["78203590","[222Pb]"]
["79222573","O=C[AsH2]"]
["79645342","Br[I]Br"]
["78231646","[45Ni]"]
["59597120","ISI"]
["175671145","[61Ga]"]
["79646087","[140Co]"]
["175672279","[187Pt]"]
["175671814","[139Te]"]
["60768307","[254Cf]"]
["79001625","[CH]=NCl"]
["25365886","ClN=C=NCl"]
["97481315","C[N]Cl"]
["161839247","ClC=NCl"]
["176426974","O=[Si][O-].[Sb+]"]
["168653221","[Te]/C=C\\[Te]"]
["78261228","[N]=NCl"]
["67036532","[F+]=NCl"]
["78409994","Cl[N]Cl"]
["78482240","Cl/C=N/Cl"]
["163912093","P1=[PH]2P=[PH]12"]
["175671740","[131Sm]"]
["79362867","[SiH2]C(Cl)(Cl)Cl"]
["174956535","F.N.O[SiH3]"]
["192001586","C[N+](C)(C)C.[B].[OH-]"]
["161888404","C[N+](C)(C)C.[Mn].[OH-]"]
["462826","C[N+](C)(C)C"]
["158729716","O[SiH3].P"]
["173139110","O[SiH3].[HH]"]
["34010557","[3H][B-]([3H])([3H])[3H].[Na+]"]
["174834788","N.O.O[SiH3]"]
["193401838","C[N+](C)(C)C.[Si+4]"]
["161721180","C[N+](C)(C)C.[Zn+2]"]
["175672381","[204Rn]"]
["100850046","[CH2+].[Sc]"]
["198281674","C=[P+]=PI"]
["78179327","[CH][SeH]"]
["51320319","C=[P+]=O"]
["101303346","[CH2+].[H].[Ta]"]
["78960473","[CH2+].[Cl-]"]
["101303350","[CH2+].[Ir]"]
["101303352","[Au].[CH2+]"]
["172122242","[S-]I([S-])([S-])([S-])[S-]"]
["100850047","[CH2+].[H].[Ti]"]
["101303349","[CH2+].[H].[Os]"]
["175672627","[256Es]"]
["78328896","[3H]BI"]
["79731120","[3H]B([3H])N"]
["194189136","[3H]B[O-]"]
["64587144","[3H]B([3H])I"]
["177201904","[311Rn]"]
["78433712","[3H]B([3H])B"]
["78326098","[3H]B([3H])F"]
["50100217","[3H]B([3H])P"]
["78659322","[3H]B([3H])O"]
["79792519","[3H]BO"]
["175671586","[117Tc]"]
["175671583","[116Cs]"]
["54702983","[B]NN"]
["78978255","N#[Si].[Si]"]
["79059044","N#[Si].[O]"]
["23432413","C.N#[Si].O"]
["21703470","N.N#[Si]"]
["22035343","C.N#[Si]"]
["26920183","N#[Si]"]
["79714026","N#[Si].[B]"]
["21871517","N#[Si].O"]
["175802354","[B]NN.[Mg+2]"]
["79693682","N#[Si].[N]"]
["1099204","[CH2-2]"]
["173515117","I[P+]1=PP1"]
["199893819","O[CH-]Br.[Li+]"]
["78093026","[173Pb]"]
["79020690","N1O[SiH2]1"]
["1097787","p12p3p1[P+]23"]
["173812053","C=[P+]1CP1"]
["181683539","N[SiH]([SiH3])[SiH](N)[SiH3]"]
["175672028","[159Yb]"]
["175672075","[163Yb]"]
["97297126","c1cp2ccp12"]
["79330958","[161Pb]"]
["51105171","[146Sm]"]
["78184633","[103Si]"]
["168448550","[2H][Si-]([2H])([2H])=[Si+]"]
["145261426","[8NH3]"]
["34617974","[2H]C([2H])[2H]"]
["102888160","[2H]C([2H])[2H].[Cd]"]
["53899136","[CH+]=[B-](C)C"]
["102903492","[2H][13CH]([2H])[2H].[Zn]"]
["58875723","[B]=[B-](C)C"]
["78151664","[204Ir]"]
["79194590","C=[B-](C)C.[Na+]"]
["46696025","C=[B-](C)C.C=[B-](C)C.[Y]"]
["173490578","C=[B-](C)C.[CH3-].[Ta+2]"]
["64267398","C[B-](C)C"]
["51256023","C[B-](C)C.[Y]"]
["44260209","[230Ra]"]
["174900343","B#N.[Al].[N]"]
["191662810","CC.CC.[B]=[B-]=[B+]"]
["173274617","B#N.C.[B]"]
["191055987","B#B.[B].[B]=[B-]=[B+]"]
["79638103","B#N.[Ni]"]
["67577394","B#N.[V]"]
["22908578","B#N.[B].[B]"]
["49064627","C=P(O)(O)O"]
["100227149","CC.[B]=[B-]=[B+]"]
["1097628","B#N"]
["79897101","B#N.[Mg+2]"]
["1077624","[Ir+4]"]
["79628482","[Ir+4].[Se-2].[Se-2]"]
["24418880","[Ir+4].[O-2].[O-2]"]
["79179756","[Ir+4].[O-][Si]([O-])([O-])[O-]"]
["34604374","[Ir+4].[S-2].[S-2]"]
["32583306","Cl.[Cl-].[Ir+4]"]
["76556488","[BH].[BH]"]
["44994360","[BH].[CH3-].[Y]"]
["199154384","[3H][B].[W]"]
["57939943","[B-]1=CC=1"]
["48215057","[3H][B]"]
["78627779","[BH].[N]"]
["79952563","[2Co]"]
["101724128","[Al].[BH]"]
["172010373","[3H][B].[3H][N].[V]"]
["101724129","[BH].[K+]"]
["196501558","[3H][B].[V]"]
["52936168","[3H][B].[Al]"]
["188005018","[20PH3]"]
["171275700","[Hf+2].[Si]CCl"]
["99307545","[Si]CCl.[Zr+2]"]
["91002272","N1=NN1N1N=N1"]
["26187530","[Si]CCl"]
["24839997","OC[Si]"]
["79204086","[83SH2]"]
["25860262","ClC(Cl)SC(Cl)Cl"]
["78192430","[125Mn]"]
["101016481","C#C[SiH2-]"]
["96684726","C[Ge-](C)C"]
["79586233","[116Ar]"]
["170666411","CP(C)(C)=[OH+]"]
["79052630","[140Ar]"]
["167095560","P[N-]P.[Ni+]"]
["173777298","P[N-]P.[Ni]"]
["64288737","[2H][S]([2H])F"]
["42856373","[SiH3][SiH](Cl)Cl"]
["79507046","[103Co]"]
["57530829","[3H]P.[V]"]
["57209394","[3H]P.[CH3-].[Nd]"]
["64465436","O.[3H]P.[Nd]"]
["52416392","[3H]P.[Y]"]
["54886108","[3H]P.[U]"]
["91192887","[CH+]=CS"]
["200454783","C.[3H]P.[B]"]
["58560755","[3H]P.[NH2-].[U]"]
["47469199","[3H]P.[Nd].[SH-]"]
["64187000","C[S-].[3H]P.[Nd]"]
["44840491","[3H]P.[V].[W]"]
["79027471","[156Hg]"]
["79943228","[N]=NF"]
["159416217","F[PH+](F)F.[F-]"]
["68332445","F[PH+](F)F"]
["194575304","F[PH+](F)F.[K+]"]
["79942550","F[PH+](F)F.[W-]"]
["192465688","F[PH+](F)F.[Br-]"]
["79007930","F[PH+](F)F.[Ru-]"]
["175899849","C=[P+](F)F"]
["173372293","F[PH+](F)F.[W]"]
["145345888","[74CH4]"]
["79062872","[64Mo]"]
["175672396","[206Ac]"]
["56103385","NNPNN"]
["79452630","O[Si](Br)(Br)Br"]
["193302580","C[Si](C)(C)Br.C[Si](C)(C)Br"]
["79452628","[O][Si](Br)(Br)Br"]
["25027285","C[Si](C)(Br)Br"]
["97538471","[CH]=[GeH2]"]
["51448386","Br[Si](Br)(I)I"]
["79400910","C1C[I]1"]
["66791605","Br[Si](I)(I)I"]
["179626275","O[Si](O)(O)Br"]
["24210354","C[Si](C)(C)Br"]
["79803152","[4C]"]
["1098051","[O-][Te]([O-])([O-])([O-])([O-])[O-]"]
["78203179","[AsH]=[AsH].[Cd].[Sn]"]
["79093061","[AsH]=[AsH].[Cd].[GeH4]"]
["78202691","[AsH]=[AsH].[Sn].[Zn]"]
["177610802","[CH]=CP"]
["100239590","C1=C[S+]=1"]
["79081420","C[CH]P"]
["1099809","[AsH]=[AsH]"]
["78210117","[AsH]=[AsH].[GeH4].[Zn]"]
["176005285","[NH2+]=CP"]
["78195302","OB(O)O.[4C]"]
["79490492","[167Pd]"]
["45186728","B#P(P)P"]
["173117239","B#P(N)N"]
["173344108","[PH2+]=CI"]
["26958605","B#P(C)C"]
["44308382","[220Fr]"]
["79127253","O[PH+](O)O.O[PH+](O)O.[Ni-2]"]
["166861440","C[PH2](C)O"]
["196487124","B#P(I)I"]
["78731838","B#P(S)I"]
["98182481","C[PH2](C)C"]
["25217002","C[PH2](Cl)Cl"]
["78327278","[344Pu]"]
["197071515","F[I-](F)(F)I"]
["52062610","F[I-](F)(F)F"]
["25212858","Cl[CH]I"]
["97056211","[2H]C([2H])([2H])[N]"]
["144651030","Cl[CH]I.[Sm]"]
["79485656","[BH3-][O+]S"]
["27309454","[169Yb]"]
["78448098","BS#C"]
["78287882","[163Pb]"]
["1104875","[BrH2+]"]
["193551994","[F-].[O-2].[U+3]"]
["171833696","[CH3-].[U+3]"]
["79239389","[N-3].[U+3]"]
["78166177","N#[N+][N+]=N"]
["91007228","O.[U+3]"]
["191451631","[Cl-].[O-2].[U+3]"]
["175671175","[66Fe]"]
["1099746","[U+3]"]
["79925687","O[SH3]"]
["97732184","C=[S+]O"]
["78980693","[12SH2]"]
["168457895","[B+]C=[CH-]"]
["1103642","[129Xe]"]
["161882363","[Au+].[CH-]=C[Si]"]
["67864468","[B]C=[CH-].[Li+]"]
["187362829","C1C[Si+]1"]
["25220985","[CH+]C=[CH-]"]
["79872375","[69Cd]"]
["121010356","O=[34S](O)O"]
["121010355","O=[34S]([O-])[O-].[Na+].[Na+]"]
["168500933","[CH-]=C[Si+]"]
["33549589","[157Lu]"]
["175672174","[172Pt]"]
["34669756","[121Te]"]
["60626494","[OH2+]Cl"]
["90968751","FN=C=NF"]
["50124856","[177W]"]
["173502320","[Ca+2].[OH2+]Cl"]
["55591990","N.[OH2+]Cl"]
["78085995","[AsH3+2].[F-].[F-]"]
["167458572","[N]S#N"]
["79056847","[AsH3+2].[S-2]"]
["13188960","[109Ru]"]
["79492109","[2H][Ge](C)(C)C"]
["79699086","[234Pb]"]
["194040466","NS(N)(=O)=O.NS(N)(=O)=O"]
["91441445","C1=[P+]=C1"]
["171720345","Cl.Cl.NS(N)(=O)=O"]
["190567572","NS(N)(=O)=O.[Ag]"]
["190957539","NS(N)(=O)=O.S"]
["68928158","NS(N)(=O)=O.[Na+]"]
["78165597","NS(N)(=O)=O.[SiH4]"]
["161361053","NS(N)(=O)=O.[Cu]"]
["54794836","N.NS(N)(=O)=O"]
["63753462","NS(N)(=O)=O.[Ni+2]"]
["42992033","Cl.NS(N)(=O)=O"]
["175672067","[163Pm]"]
["79059476","O=P([O-])([O-])[O-].[Te+3]"]
["83055485","N=[As]N"]
["175671331","[86Nb]"]
["91252997","N[As]Br"]
["187963257","[34S+4]"]
["101033107","C[As](C)[SH2+]"]
["32268653","[133IH]"]
["79873983","[125Zr]"]
["96920503","[b+]1cc1"]
["42964559","N1=C2N=C12"]
["175671834","[140Ho]"]
["96725835","[SiH3]P=C([SiH3])[SiH3]"]
["168304919","[NH2-].[Rg+]"]
["59898947","[2H]P=P[2H]"]
["175672311","[191At]"]
["48277323","S[B]S"]
["175672425","[211Th]"]
["98937902","CC(C)=[14CH2]"]
["78089675","F[Si](F)(F)F.[N]"]
["79778487","F[Si](F)(F)F.[O]"]
["192365476","F[Si](F)(F)F.[K+]"]
["200574064","F.F[Si](F)(F)F"]
["160496273","F[Si](F)(F)F.[Mn]"]
["192165217","F[Si](F)(F)F.[Mg+2]"]
["175279998","F[Si](F)(F)F.[H+]"]
["62941967","F[Si](F)(F)F.O.O"]
["15361788","F[Si](F)(F)F.N.N"]
["196017639","F[Si](F)(F)F.[F-]"]
["175672498","[227Fr]"]
["26364268","NNC(N)(N)N"]
["48947419","Br[Si-2](Br)(Br)(Br)(Br)Br"]
["60164572","[S-][B][S-]"]
["46357222","Br[Si-2](Br)(Br)(Br)(Br)Br.[Sr+2]"]
["84157598","[C+]#CS"]
["97781753","[2H][13C]([2H])([2H])F"]
["57288618","Br[Si-2](Br)(Br)(Br)(Br)Br.[Ba+2]"]
["78282036","[169Pd]"]
["96785143","[2H]C([2H])([2H])F.[Ba+]"]
["64160279","Br[Si-2](Br)(Br)(Br)(Br)Br.[Ca+2]"]
["97182380","[2H]C([2H])([2H])F"]
["185876119","[Os+6]"]
["173234870","B#B.[He]"]
["173025035","B#B.[H+]"]
["42467892","[224Ac]"]
["172476059","B#B.[B].[V]"]
["68713751","B#B.[K+]"]
["172474256","B#B.[CH3-].[Y]"]
["100263237","B#B.CN"]
["200455526","B#B.CC.[B]"]
["176035245","O.O.[Os+6]"]
["193766854","B#B.P"]
["173289985","B#B.P.[SiH4]"]
["175672191","[174Ir]"]
["190838925","BrB(Br)Br.[Cl-].[Li+]"]
["161501893","BrB(Br)Br.[Ar]"]
["191699575","BrB(Br)Br.[Br-]"]
["176121612","BrB(Br)Br.[Sn]"]
["101449667","BrB(Br)Br.N"]
["50407842","SN=NS"]
["160558013","BrB(Br)Br.BrB(Br)Br"]
["79151596","BrB(Br)Br.[B]"]
["190370553","BrB(Br)Br.C"]
["79199634","BrB(Br)Br.[N]"]
["1101174","[AsH-2]"]
["83228094","[78AsH3]"]
["175671194","[69Fe]"]
["97211197","[O]P1CC1"]
["91437490","C#C[Te]"]
["179626191","O[B]Br"]
["48503320","[10CH4]"]
["190649729","[O-][B][O-].[O-][B][O-].[Re]"]
["175287694","[O-][B][O-].[Sr+2]"]
["174636784","[O-][B][O-].[Pd+2]"]
["45057473","[O-][B][O-]"]
["175671860","[143Gd]"]
["192424289","[O-][B][O-].[O-][B][O-].[Zr+4]"]
["157581283","[Co+2].[O-][B][O-]"]
["192460626","[Mg+2].[O-][B][O-]"]
["174796307","[10CH4].[SiH4]"]
["42873753","[O-][B][O-].[Ru+2]"]
["196017858","[F-].[O-][B][O-]"]
["175671785","[135Tb]"]
["171433795","PP(P)[PH3+]"]
["78309315","[19Mo]"]
["79729208","[3As]"]
["174990377","CC(C)(C)[TeH2+]"]
["78195174","[142Ar]"]
["44260611","Cl.[14CH3]N"]
["64087802","[14CH3]N"]
["25270957","CB(C)N"]
["78959312","F[OH+]Cl"]
["78288040","[144Pb]"]
["63186245","[O-]O.[Pb+]"]
["175510267","[CH2]Br.[I-].[Pb+]"]
["161536952","CN.[I-].[Pb+]"]
["79788181","[H].[PH2-].[Pb+]"]
["91119382","[O-]F.[Pb+]"]
["175695763","[Br-].[Cu].[Pb+]"]
["183527891","[CH2].[Cl-].[Pb+]"]
["79126597","[H].[OH-].[Pb+]"]
["174794740","[CH3].[NH2-].[Pb+]"]
["67158215","[I-].[Pb+]"]
["78294319","[Cl-].[Pb+].[S]"]
["175672642","[258Db]"]
["172827304","N[SiH2-]"]
["63485353","N=[14C](N)S"]
["173012122","N[SiH2-].[Li+]"]
["100856396","[XeH]C#C[XeH]"]
["78609823","C1=PP=1"]
["27284816","N=[14C](N)O"]
["174969673","[B+]=[Si-](P)(Cl)Cl"]
["192751626","Cl.N=[14C](N)N"]
["78146148","N[N]S"]
["33119940","C[14C](=N)O"]
["536181","N=[14C](N)N"]
["79580119","[133Ar]"]
["175953929","[Fe+3].[O-]P([O-])[S-]"]
["171801311","[Al+3].[O-]P([O-])[S-]"]
["91202113","[B+]C[CH2]"]
["49304026","[O-]P([S-])[S-]"]
["173628176","[B+]P([S-])I"]
["79041208","[CH2]C[TeH]"]
["42990285","NP([S-])[S-]"]
["34265856","[245Cm]"]
["26943421","[CH2]CO"]
["50606181","[O-]P([O-])[S-]"]
["192066430","[Cu].[O-]P([O-])[S-]"]
["175672649","[259Db]"]
["79731774","C[I]C"]
["172780288","CC(C)=N.Cl.Cl"]
["161681571","Br[CH-]Br.[Fe]"]
["172278040","CC(C)=N.O"]
["98428296","CC.CC(C)=N"]
["46400529","N=C(P)P"]
["173727316","CC(C)=N.CO"]
["100851735","Br[CH-]Br"]
["174177955","CC.CC.CC(C)=N"]
["185081777","Br[CH-]Br.[Cu+]"]
["187963265","[98Mo+3]"]
["34459362","[166Er]"]
["1101308","[B+]"]
["175672557","[239Cf]"]
["192400512","O=C([Se-])[Se-]"]
["161741677","[Ba+2].[Se]=C([Se-])[Se-]"]
["79239268","[134Pb]"]
["91651938","[B]=PF"]
["185399182","Br[SiH]1[SiH](Br)[SiH]1Br"]
["173697378","[B]=PP"]
["63739311","[81Se]"]
["33531162","S=[76As]S[76As]=S"]
["79313917","[N-]=[I+]=O"]
["79713478","O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-]"]
["24613165","O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cd+2]"]
["649298","O=[N+]([O-])[O-]"]
["34121129","O=[15N+]([O-])[O-]"]
["43388836","O=[N+]([O-])[O-].O=[N+]([O-])[O-]"]
["55851676","O=[N+]([O-])[O-].[Cd+2]"]
["79322778","[60SH2]"]
["79817396","S=C=S.S=C=S"]
["173231513","CC.[O-][SH+][O-]"]
["79941105","[C-]=[N-].[Li+]"]
["54770226","[117Cd]"]
["78325414","NN.S=C=S"]
["60904633","O[I-]F"]
["191107811","S=C=S.[Fe]"]
["173360208","[O-][SH+][O-].[W]"]
["176284765","[Ti+4].o1oo1"]
["79710773","[Ag].o1oo1"]
["174546683","[H-].[K+].o1oo1"]
["33209271","[Ni+4]"]
["44679126","[Cl-].[Cl-].[Ni+4]"]
["78122815","[Ni+4].[S-2].[S-2]"]
["167449158","[Br-].[Cl-].[Ni+4]"]
["79317865","[Ni+4].[O-][Si]([O-])([O-])[O-]"]
["182978687","OB(Br)Br"]
["79615253","F[At]F"]
["34254874","[70As]"]
["33411094","[Ni+4].[O-2].[O-2]"]
["780142","[Ni+4].[OH-].[OH-]"]
["61433344","[I-].[I-].[Ni+4]"]
["171144946","[F-].[F-].[Ni+4]"]
["175672708","[275Hs]"]
["1097276","[Rn+]"]
["192592501","[Bi+2].[Br-].[Br-]"]
["160819948","[Bi+2].[Bi+3]"]
["79460065","[Bi+2].[Cl-].[I-]"]
["91245130","[Bi+2].[F-].[I-]"]
["54949979","[Bi+2].[CH3]"]
["78251525","[Bi+2].[O-]Cl.[O-]Cl"]
["79550667","[Bi+2].[OH-].[OH-]"]
["79460109","[Bi+2].[Br-].[I-]"]
["79788476","[Bi+2].[F-].[F-]"]
["56959660","C[As](C)N"]
["175672479","[223Rn]"]
["175671871","[144Dy]"]
["91127258","C1=C[Si]1=[Si]1C=C1"]
["65717511","C=NBr"]
["175671209","[71Br]"]
["79419193","[23S]"]
["96887980","[O-]P([O-])(O)(O)O"]
["55124490","OP(O)(O)(O)O"]
["79947609","NP(N)(O)(O)O"]
["56965916","C=[S+]C"]
["58547506","C=[S+]I.[I-].[V-]"]
["96474160","B1BNN1"]
["44657472","OP(O)(O)(Cl)Cl"]
["79097665","C[Si](C)(C)[P]"]
["79270409","[136Ni]"]
["78274838","[27Fe]"]
["61202811","C[NH+](C)[O-].O.O"]
["190624960","C.C.C[NH+](C)[O-]"]
["185336088","NP(N)(Cl)(Cl)Cl"]
["161718185","C[NH+](C)[O-].O"]
["193967102","C.C[NH+](C)[O-]"]
["24849689","C[NH+](C)[O-]"]
["183961775","C[NH+](C)[O-].[Br-]"]
["175693681","[3H][Ge][3H]"]
["174902033","C[NH+](C)[O-].N"]
["62216496","C[NH+](C)[O-].[Na+]"]
["55919052","[157Eu]"]
["173138124","O.[O-][Si]([O-])([O-])[O-].[Ti+4]"]
["60081692","[O-][Si]([O-])([O-])[O-].[Pr+3].[Zr+4]"]
["24424931","[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-]"]
["175691245","[Ga+3].[La+3].[O-][Si]([O-])([O-])[O-]"]
["175818649","[Er+3].[O-][Si]([O-])([O-])[O-].[Yb+3]"]
["192302377","[Au].[O-][Si]([O-])([O-])[O-]"]
["79548952","[Ba+2].[O-][Si]([O-])([O-])[O-].[Sr+2]"]
["23740682","[O-][Si]([O-])([O-])[O-].[Ti+4]"]
["175198128","[Fe+3].[Na+].[O-][Si]([O-])([O-])[O-]"]
["175713336","[O-][Si]([O-])([O-])[O-].[Yb+3].[Yb+3]"]
["79472817","[O-][Si]([O-])([O-])[O-].[Sn+4]"]
["175671055","[46Ar]"]
["193480014","[BH3-]Cl.[Na+]"]
["78467621","[14ClH]"]
["173037507","[GeH2].[SiH2]Cl.[SiH3]"]
["185368395","Cl[GeH2].[SiH2]Cl"]
["192381249","O.O[Si](O)(O)[OH2+]"]
["42235026","[SiH2]1C2[SiH2]C12"]
["68680217","[SiH2]Cl"]
["185368400","[GeH3].[SiH2]Cl"]
["174827448","[Fe].[SiH2]Cl"]
["174948840","NN[TeH].O"]
["78641617","I[SH]123S[PH]1(S2)S3"]
["175671093","[53Ti]"]
["34139342","[228Ra]"]
["60662178","[72Br-]"]
["1067584","[228Ra].[H].[H]"]
["56645025","CC(C)=[Br+]"]
["175709025","o1[se][se]1"]
["83215508","[81Sr].[H].[H]"]
["51257933","[81Sr]"]
["175670931","[25Na+]"]
["78925131","[SiH3]OCl"]
["175671691","[127Ag]"]
["27308613","[24Na+].[Cl-]"]
["56842287","P=S=P"]
["175672524","[232Pu]"]
["172898670","[3H][IH+]"]
["27307799","[24Na+]"]
["148561406","[150Nd]"]
["69631847","P=S=P.[Mn].[O]"]
["68088185","[84Rb]"]
["100854811","C1=C[PH2]=C1"]
["33919373","[10Be]"]
["79294556","[Ac+].[I-]"]
["97861902","[Ac+].[Br-].[O]"]
["97544307","[Ac+].[Cl-].[O]"]
["78715575","[Cl-].[Lu+].[O]"]
["79283659","[I-].[Lu+]"]
["97012528","C[Si](C)(C)[Te-]"]
["83239952","[10Be].[H].[H]"]
["78245540","[Br-].[Lu+]"]
["78803050","O.[Cl-].[Lu+]"]
["79142213","[Ac+].[Cl-]"]
["78184818","[F-].[Lu+].[O]"]
["167454821","[155Cd]"]
["171984118","[C-]#C[NH-].[V].[W]"]
["79781072","O[PH+](O)O.O[PH+](O)O.[Pd-2]"]
["182248287","[C-]#C[NH-]"]
["175670910","[21Mg+2]"]
["78309108","[23Cr]"]
["172072471","C=[Se+]C"]
["175671488","[106In]"]
["79017138","[N-]O.[N-]O.[Si+4]"]
["79320290","[N-]O.[Zn+2]"]
["54717322","Cl[S+](Cl)Cl"]
["79471441","O.[Li+].[N-]O"]
["78552569","[58Ar]"]
["79530156","[N-]O.[Na+]"]
["172808660","Cl[S+](Cl)Cl.[Cl-]"]
["175672164","[171Os]"]
["78205197","ClP(Cl)(Cl)(Cl)Cl.[P]"]
["183486212","NP(N)([O-])([O-])Cl"]
["26217948","CP(C)(Cl)(Cl)Cl"]
["55934759","CP(C)([O-])([O-])[O-]"]
["175670926","[24F]"]
["192721288","ClP(Cl)(Cl)(Cl)Cl.P"]
["732696","ClP(Cl)(Cl)(Cl)Cl"]
["78891754","C.ClP(Cl)(Cl)(Cl)Cl"]
["60823239","CP(I)(I)(I)I"]
["78253532","ClP(Cl)(Cl)(I)I"]
["78168439","Cl.ClP(Cl)(Cl)(Cl)Cl"]
["163563368","[186Os]"]
["167449279","[Se]=CC=[Se]"]
["32098229","[37Cl-]"]
["91520791","C=C([CH2+])[CH2+]"]
["101770795","[37Cl-].[Na+]"]
["97290485","[C-]=C(C)C"]
["175672688","[267Bh]"]
["175916278","[GeH]=[Se].[OH-]"]
["58826747","[K+].[NH-]S.[SH-]"]
["174705872","N#[N+][SiH3]"]
["65613196","C[IH]I.[Y]"]
["59137224","[K+].[NH-]S"]
["101726392","N=[Si]=N.[Li+].[Li+]"]
["68554425","[NH2+]=PP"]
["66932425","C[IH]I.[W]"]
["101726394","N=[Si]=N.[Mn+2]"]
["175672332","[196Ir]"]
["101726393","N=[Si]=N.[Mg+2]"]
["79771929","[115P]"]
["175671371","[92Kr]"]
["79070375","[O][Si](Cl)(Cl)Cl"]
["78062374","[40C]"]
["76370203","[19O]=[19O]"]
["175671652","[123Rh]"]
["193703289","C.CC.CCl"]
["191555176","CC.[Tb]"]
["175744537","CC.[Ir]"]
["173021564","C.CC.CO"]
["192772433","C.CC.N"]
["200455327","CC.CC.[Ar]"]
["57543512","CC.[Hg]"]
["98608121","CC.CN(C)C"]
["194425213","C=C.CC.[B]"]
["173021534","C=C.CC.CO"]
["200579322","CC.[F-]"]
["83219315","[78GeH4]"]
["175908377","OB(O)O.[Ca+2].[Zn+2]"]
["191732133","OB(O)O.[C-]#N.[Li+]"]
["79559984","OB(O)O.[PH5]"]
["195806613","OB(O)O.[Cd+2].[O-2]"]
["175534666","OB(O)O.[Tb].[TeH2]"]
["193877852","Cl.N.OB(O)O"]
["174422658","OB(O)O.[Cu+].[F-]"]
["194104563","OB(O)O.[Cu].[O]"]
["161138404","OB(O)O.[Cs+].[F-]"]
["175258975","I.OB(O)O.[Fe]"]
["79186331","OB(O)O.[Fe].[Nd]"]
["27305513","[124I]"]
["46562756","[183Re]"]
["79208469","[167Pd+2].[Cl-].[Cl-]"]
["175671132","[59Ge]"]
["177821139","[121Au]"]
["175672449","[215Ac]"]
["175672387","[205Fr]"]
["175672382","[204Fr]"]
["78377542","[SiH3]C([SiH3])=C([SiH3])[SiH3]"]
["96539560","[SiH3]C([SiH3])=[P]"]
["49568961","[94Zr]"]
["78998166","C.C.[SiH3]O[SiH3]"]
["79787371","[C-]=[F+].[SiH3]O[SiH3]"]
["78261921","[SiH3]O[SiH3].[Ti]"]
["78182531","I.P.[SiH3]O[SiH3]"]
["79495455","[Li+].[SiH3]O[SiH3]"]
["193124862","[Ca+2].[SiH3]O[SiH3]"]
["172693613","S.[SiH3]O[SiH3]"]
["79016025","N.[SiH3]O[SiH3]"]
["175671822","[139Dy]"]
["78396007","[B].[SiH3]O[SiH3]"]
["175571234","[Mn].[SiH3]O[SiH3]"]
["34346118","[152Sm]"]
["148560071","P=S.[SiH4].[Sn]"]
["190164136","C1CCC1.P=S"]
["57980165","P=S.[CH3-].[Y]"]
["97548220","C[Te]I"]
["176401254","P=S.S.[Li+]"]
["79587771","[144V]"]
["172725038","P=S.[Ge].[Li+]"]
["192129399","P=S.S"]
["44800164","P=S.[U]"]
["175338553","P=S.[Au]"]
["176111456","P=S.[Ca+2].[Na+]"]
["1102661","[215Po]"]
["174689791","C[NH+](C)[SiH3]"]
["163965564","N#[14C]O.[K+]"]
["1096981","O=[AsH3]"]
["83217859","[215Po].[H].[H]"]
["78279782","C[NH+]([O-])[O-]"]
["78251583","[3Cr]"]
["79323511","O.O=[AsH3]"]
["42216622","N#[14C]O"]
["174968453","C[NH+](C)I"]
["66837846","[184Ta]"]
["175671433","[100Kr]"]
["68429685","Cl[As]Cl"]
["79260797","[O-][I-]([O-])([O-])[O-]"]
["145490457","[50SH2]"]
["79494443","[120Ar]"]
["26939742","CC(C)(C)[NH]"]
["78255230","C=[OH+].NN"]
["103007820","[13CH2]=[OH+]"]
["174265902","C=[OH+].[Co]"]
["78126914","Cl.[3Fe]"]
["79799764","C[P](C)(C)C"]
["175190764","C=[OH+].[Ni]"]
["171039713","[141Cs+].[H-]"]
["173724673","C=[OH+].[H-].[Na+]"]
["175302621","C=[OH+].[H-].[K+]"]
["44688267","[Si][N+]#[Si-]"]
["1100486","[BH3-]"]
["175672523","[232Ac]"]
["96548544","C1[P+]P1"]
["166441717","[BH3-].[Li+]"]
["101725679","[BH3-].[Mo]"]
["177833520","O[Se](O)(I)#I"]
["42945945","[BH3-].[BH3-].[Ca+2]"]
["163665039","[BH3-].[Na+]"]
["25022077","[BH3-].[K+]"]
["175671511","[108I]"]
["175671421","[98Pd]"]
["641048","[2H][N+]([2H])([2H])[2H]"]
["79225143","ClNONCl"]
["175671013","[39S]"]
["79070535","[CH2][Si](Cl)(Cl)Cl"]
["173825590","[B+]=P(=[B+])[O-]"]
["174985304","[76Ni]"]
["79495412","[CH2]I.[H].[Pb]"]
["163914743","[CH2]I.[Na+]"]
["102888531","[CH2]I.[I-].[Zn]"]
["61455338","[B][B-](=[B])[B-]([B])=[B]"]
["175672020","[158W]"]
["78210127","[CH2]I.[Co].[Ru]"]
["79235963","[Ag].[CH2]I.[O]"]
["79820552","[CH2]I.[Rh]"]
["102925780","C[O-].[CH2]I.[Zn]"]
["32941873","[CH2]I.[Li+]"]
["79184328","[157Pt]"]
["175672559","[240Cf]"]
["53080233","[PH3+]CC[PH3+]"]
["185399613","[PH3+]C[PH3+]"]
["79727574","[133Pb]"]
["32626753","[165Er]"]
["79063701","[Br-].[Br-].[PH3+][PH3+]"]
["79666570","[123Ar]"]
["195814321","F[C](F)F.[CH3].[Sn]"]
["174349559","OF.[H-].[Na+]"]
["58597168","OF.[S].[V]"]
["193755874","OF.[Cu+2]"]
["79831442","CF.OF"]
["192115310","NN.OF"]
["79521640","F[C](F)F.[Cd]"]
["187071806","OF.[Zr]"]
["79364515","OF.[C-]=[F+]"]
["175590234","OF.[HH]"]
["65298226","FC(F)=P"]
["33073945","[161Ho]"]
["79844941","S/C=C/S.[Ni]"]
["33482766","S/C=C\\S"]
["77010642","SC=CS.[Ni+2]"]
["50979204","S/C=C/S.[Na+].[Na+]"]
["101713402","S/C=C\\S.[Na+].[Na+]"]
["46828481","SC=CS"]
["46236887","S/C=C/S"]
["76444811","SC=CS.[Na+].[Na+]"]
["174734195","SC=CS.[Ni]"]
["78973254","[NH]N[NH]"]
["42204621","S/C=C/S.[Ni+2]"]
["154886804","[17OH][17OH]"]
["175670953","[29P]"]
["79335991","[5Mn]"]
["195245372","[218AtH]"]
["164263991","[1OH2]"]
["175671080","[51K+]"]
["79179859","BN=P"]
["57405604","[177Re]"]
["174889018","NP.[Cl-].[K+]"]
["174572552","NP.[H-].[Na+]"]
["192884897","Br.NP"]
["79344566","F.NP"]
["68698493","NP"]
["190593121","NP.[W]"]
["25164565","C[C]([SiH3])[SiH3]"]
["176384579","NP.[Cu+]"]
["174300677","NP.[H-].[K+]"]
["159812166","NP.[Ir]"]
["97027838","[N]=C([SiH3])[SiH3]"]
["175671803","[137Gd]"]
["52614505","[Se+]=[Te]"]
["79810262","BB(C)C"]
["169752858","Cl[Si](Cl)=C=[Si](Cl)Cl"]
["173160282","C.[14CH4]"]
["33040065","[14CH4]"]
["170583520","[Se-]BB[Se-]"]
["173149303","[11CH4].[14CH4]"]
["175671529","[111Rh]"]
["175671276","[80Ga]"]
["191097566","C1CC12CC2.C1CC12CC2"]
["25289541","C1CC12CC2"]
["79765269","[72Ni]"]
["79116217","[13Co]"]
["79769123","[130W]"]
["185994554","[3H]O[Si](O[3H])O[3H]"]
["175671416","[98Kr]"]
["45626656","[186Ta]"]
["97591547","Br[SiH]1[SiH]=[SiH]1"]
["182254223","C[S+](C)(C)=S"]
["96658905","[C+]#C[N]"]
["55386869","P#I"]
["151889819","C=[S+](C)(C)O"]
["110874838","[C+]#CN"]
["175671280","[80Y]"]
["91307235","[Si+]=[Si]=[P-]"]
["34213331","[95Tc]"]
["78289250","[266Au]"]
["79288916","[107SH2]"]
["194037969","[3H][BH3-]"]
["175671214","[72Cu]"]
["101386954","B[OH2+]"]
["175671717","[129Pr]"]
["164568844","C=[As][As]=C"]
["32391670","[103Cd]"]
["66447132","[196Au]"]
["159415329","NC(F)(F)F.O"]
["194629964","F.NC(F)(F)F"]
["25435777","NC(F)(F)F"]
["69520803","Cl.NC(F)(F)F"]
["194629446","Cl.Cl.NC(F)(F)F"]
["79721568","[Ac-].[BH2+].[S]"]
["191319073","[2H][BH2-]C"]
["49748783","[76Kr]"]
["174717474","NC(F)(F)F.NC(F)(F)F"]
["194120403","Br[SiH](Br)C([SiH](Br)Br)([SiH](Br)Br)[SiH](Br)Br"]
["175671590","[117Ag]"]
["168310838","[CH2][NH-]"]
["175672034","[160Nd]"]
["79813739","OB(O)[SiH3]"]
["56832079","[B]N=[C-]"]
["44438919","[2H]P=N"]
["175671680","[126Rh]"]
["42809333","[CH2][NH-].[CH3-].[Y]"]
["79113113","C[As](C)[SeH]"]
["185396828","[SiH3]B([SiH3])[SiH3]"]
["32468464","[156Gd]"]
["42793146","[242Pu]"]
["175671660","[123Ce]"]
["175672101","[165Ta]"]
["79172429","[NH]P[NH]"]
["78975336","O=P([O-])([O-])[O-].[Ge+3]"]
["100853096","C[SiH2-](C)C"]
["65147911","O=[AsH]=O"]
["175672441","[214Fr]"]
["27118630","[O]C([O])(F)F"]
["79648492","[NH]Br"]
["174616766","C[OH+][SiH3]"]
["78174095","[S][PH2]=S"]
["175671427","[99Nb]"]
["55729756","Cl[Si](Cl)=[Si](Cl)Cl"]
["34148357","[151Pm]"]
["175671411","[97Rh]"]
["91262354","[Cl+]=[As]"]
["76238868","[BH3-][BH3-]"]
["25525745","C[Si](C)(C)[N]"]
["101250941","BrB(Br)B(Br)Br"]
["185217245","[125I]S[125I]"]
["167449264","[Se]C[Se]"]
["32807863","[Ir+]"]
["79796081","Cl[N+](Cl)(Cl)Cl.N.[Pd]"]
["79473511","Cl[N+](Cl)(Cl)Cl.N"]
["174550715","[B+]=[Si-](Cl)(Cl)Cl"]
["81900022","[H-].[Ir+]"]
["55269392","[Cl-].[Ir+].[S]"]
["167535898","C[O-].[Ir+]"]
["78501993","[Ir+].[NH2-].[NH]"]
["79820855","[Ir+].[NH2-]"]
["79317342","[Cl-].[H-].[Ir+]"]
["47769649","[Ir+].[N]"]
["79518740","Cl[N+](Cl)(Cl)Cl"]
["174836049","[61Fe]"]
["26315008","C[CH]N"]
["175671423","[98In]"]
["175670979","[33Ar]"]
["91160111","S[Si+]S"]
["101472564","[183Ta]"]
["168461883","[Si+]P(#[Si-])P([Si+])#[Si-]"]
["59315920","P=[PH2+]"]
["175671424","[99Kr]"]
["91570803","F[P+]#[Si-]"]
["79133435","Cl[Te][Cl+]"]
["78487144","[3H][SH](=O)=P"]
["78477574","[3H][SH](=P)=P"]
["175671706","[128Ce]"]
["79747667","[CH-]=[F+]"]
["78243816","[Cl-].[PH3+3].[S-2]"]
["58411898","[Li+].[Te]=[Te]"]
["79321425","[H+].[K+].[PH3+3]"]
["78973101","[Mo].[Te]=[Te]"]
["173420803","[H-].[Na+].[Te]=[Te]"]
["78687540","[Cd].[Te]=[Te]"]
["79163209","Br.[PH3+3]"]
["79715524","F.[CH-]=[F+]"]
["79208448","[Te]=[Te].[W]"]
["79694800","Cl.[CH-]=[F+]"]
["33952077","[Sm+2]"]
["23064429","[I-].[I-].[Sm+2]"]
["32206824","[Cl-].[Cl-].[Sm+2]"]
["79037560","[F-].[F-].[Sm+2]"]
["175671180","[67Fe]"]
["24232578","[Si-]#[Si-].[Sm+2]"]
["78966353","[OH-].[OH-].[Sm+2]"]
["101303545","[H].[H].[Sm+2]"]
["33633372","[Br-].[Br-].[Sm+2]"]
["189788473","Cl[O+](Cl)Cl.[Cl-].[Mo]"]
["145441666","[Cl-].[I-].[Sm+2]"]
["189788474","Cl[O+](Cl)Cl"]
["175671425","[99Rb]"]
["175671738","[131Nd]"]
["174786754","O[N+](O)(O)N([N+](O)(O)O)[N+](O)(O)O"]
["164592715","C1#C[N-]1"]
["175671694","[127Ba]"]
["52777082","[114Cd]"]
["185243801","[O-][O+]=S"]
["59186500","[CH]S"]
["52594574","O=[Br+]([O-])[OH2+]"]
["96635381","[C+]=[O+][O-]"]
["172764676","[CH]=[O+][O-].[Sn]"]
["61868978","[CH]S.[W]"]
["1098811","O=[Br+](=O)=O"]
["32125564","[142Sm]"]
["173071232","[B+]=[Si-](O)(O)[SiH3]"]
["193241929","N.OB(O)B(O)[OH2+]"]
["191608226","OB(O)B(O)O.[W].[W]"]
["78452094","[2H][SH](=O)(Cl)Cl"]
["42793564","[3H]c1c([3H])c([3H])c([3H])c([3H])c1[3H]"]
["91411713","NC#[Si]"]
["158624595","OB(O)B(O)O.[Ni]"]
["158906979","OB(O)B(O)O.[Ba]"]
["191384701","C.C.OB(O)B(O)O"]
["1098642","OB(O)B(O)O"]
["158710628","OB(O)B(O)O.OB(O)B(O)O"]
["65759053","[88Kr]"]
["33629730","[129I][129I]"]
["68424773","CC(C)(C)[TeH]"]
["100850169","[CH2+]CCl"]
["79035991","[44C]"]
["78244843","[65Ar]"]
["78323687","[C+]C[C-]"]
["175905081","SBr.[Ge].[Pb]"]
["191897196","Br.SBr"]
["67603608","SBr"]
["158208282","SBr.[SiH4]"]
["97742233","[C-]CF"]
["61438347","[3H]SBr"]
["79781593","[151Ta]"]
["173114694","O.[Na+].[SiH3-]"]
["173452914","[HH].[Li+].[SiH3-]"]
["175757666","[Ca+2].[Na+].[SiH3-]"]
["51184886","[Li+].[SiH3-]"]
["174724697","[CH3-].[Ca+2].[SiH3-]"]
["174060101","[B-].[Ca+2].[SiH3-]"]
["173264172","I.[Na+].[SiH3-]"]
["160311971","[Cu+2].[SiH3-].[SiH3-]"]
["183147991","[I-].[Mg+2].[SiH3-]"]
["49947135","[142Ce]"]
["1100675","[O-][F+][O-]"]
["79773274","[124Mn]"]
["100897077","[K+].[S-][C-]=[C-][S-]"]
["25532811","C#S[O]"]
["174401132","[NH-]P[NH-].[Ru+2]"]
["100960740","[S-][C-]=[C-][S-]"]
["79873822","[60V]"]
["26081928","C1=N[N]1"]
["171985905","[2H][S-].[K+]"]
["49862760","[3H]P[B]"]
["91259691","[Te][As](=[Te])=[Te]"]
["173061425","P[P+](Cl)(Cl)Cl"]
["102899341","[CH]1PCP1"]
["175672082","[164Sm]"]
["185604881","[S-]C(Cl)Cl.[Sb+]"]
["53897787","[2H][S-]"]
["185622862","[Bi+].[S-]C(Cl)Cl"]
["172082861","[2H][S-].[Na+]"]
["83215218","[70AsH3]"]
["79091896","O[P-]O.[Pd+]"]
["538899","[59Fe]"]
["97597336","[GeH]1=[GeH][GeH2]1"]
["79334887","O[P-]O.[Ru+]"]
["57991055","O[P-]O.[Na+]"]
["173851297","O[P-]O.[Os+2]"]
["193043712","O[P-]O.[V+2]"]
["79780678","O[P-]O.O[P-]O.[Pd+2]"]
["161203651","Br[At]"]
["175671034","[42Ti]"]
["79053149","[SiH3]Br.[SiH4]"]
["175050066","CO.[SiH3]Br"]
["79053151","[SiH3]Br.[Si]"]
["44381624","[SiH3]Br"]
["174905186","[H+].[SiH3]Br"]
["79074894","[GeH4].[SiH3]Br"]
["79787839","C.C.[SiH3]Br"]
["49414383","[224Rn]"]
["56170934","C1C[N+]1"]
["175671204","[70Br]"]
["63174457","[Ge].[Ge]#I"]
["177530","[147Dy]"]
["49327597","[Ge]#I"]
["97715328","C1C[N+]C1"]
["61918953","[93Tc]"]
["144562499","S=[C-][S-].[K+].[K+]"]
["100919362","[SiH]1=[SiH][SiH]2[SiH]=[SiH][SiH]12"]
["25489065","[CH]1OO1"]
["54899270","OOS"]
["55711972","[C]1=CN1"]
["79079378","[171Ir]"]
["78687964","[4Nb]"]
["79927251","[94Ta]"]
["175671950","[152Er]"]
["175672551","[237Cf]"]
["79620547","CI(C)(C)(C)[SiH3]"]
["79065313","[2H]C[19BH2]"]
["79379310","[120Pb]"]
["175671135","[60Cr]"]
["175672348","[198Fr]"]
["79629174","[112Ar]"]
["163960369","[15NH2][15NH2].[2H]Cl.[2H]Cl"]
["102896592","CP=[NH2+]"]
["148803837","O.[2H]Cl"]
["169813579","[2H]Cl.[2H][NH+]([2H])[2H]"]
["175914623","N.N.[2H]Cl"]
["198140756","Cl.[2H]Cl"]
["78581452","[NH2+]=PN[O-]"]
["79772429","ClCCl.[2H]Cl"]
["174481298","[2H]Cl.[H+]"]
["23483122","[2H]Cl"]
["185357119","[NH2+]=PCl"]
["187501970","[111Cd+2]"]
["161680453","C.[Ag].[C-]#[C-]"]
["103006885","[C-]#[C-].[Ca+2].[HH]"]
["79221648","[C-]#[C-].[C-]#[C-].[Ti+4]"]
["79930146","[C-]#[C-].[NH4+].[NH4+]"]
["79427553","[C-]#[C-].[Co+2]"]
["191192696","[C-]#[C-].[Mg+2].[Mg+2]"]
["179928978","C.[C-]#[C-].[Mg+2]"]
["53828717","[90Tc]"]
["78142922","[C-]#[C-].[Sr+2]"]
["181858354","C=C.[C-]#[C-].[Mg+2]"]
["79136589","[C-]#[C-].[Mg+2]"]
["175672098","[165Yb]"]
["175303067","CO.Cl[Te]Cl"]
["176144406","Cl[Te]Cl.[Au]"]
["78670653","C[Te]Cl"]
["54658239","SPS"]
["27307945","Cl[Te]Cl"]
["79338773","[159Pb]"]
["163563365","[116Cd]"]
["78169481","[22CH-]=[F+]"]
["79203426","[63SH2]"]
["79025865","[23CH-]=[F+]"]
["175671523","[110Sb]"]
["78997427","[19SH2]"]
["27305752","[122Xe]"]
["145345891","[89CH4]"]
["193457289","[PH3+]C=C[PH3+]"]
["79543060","[Se]=C[SeH]"]
["175671839","[141Eu]"]
["175671525","[110Xe]"]
["192733769","[Se-]c1c([Se-])c([Se-])c([Se-])c([Se-])c1[Se-]"]
["175671114","[56Cu]"]
["175671490","[106Sb]"]
["79005475","[N]NN"]
["97474128","[3H][Si](C)(C)C"]
["42846356","[239U]"]
["83220152","[209Pb].[H].[H]"]
["57471437","ClP(Cl)P(Cl)Cl"]
["48762942","[B]=P(=[B])P"]
["34451937","[209Pb]"]
["175672477","[222Pa]"]
["78877682","[62OH2]"]
["79850629","[Li+].[Li+].[O-]P[O-]"]
["48416090","[O-]P[O-]"]
["60255062","[2H][NH2+][2H]"]
["79481131","[Ni+2].[O-]P[O-]"]
["34707338","[Na+].[Na+].[O-]P[O-]"]
["161550743","[O-]P[O-].[Pt+2]"]
["176044999","[Al+2].[CH3].[O-]P[O-]"]
["79588775","[NH4+].[NH4+].[O-]P[O-]"]
["175672569","[242Es]"]
["103000726","[2H]Br.[2H][NH+]([2H])[2H]"]
["175672540","[235Pa]"]
["174875523","[100Y]"]
["49079486","S[Se]"]
["195114236","[88Rb+].[H-]"]
["42158101","[101Tc]"]
["69588108","[OH+]=PI"]
["170629248","SS.S[Se]"]
["27306475","[67Ga+3]"]
["25970230","[CH]=CN"]
["79778086","[N]N[NH]"]
["32536958","[153Gd+3]"]
["79926920","[98Ar]"]
["195114237","[130Cs+].[H-]"]
["79872480","[13Fe]"]
["175671472","[104In]"]
["99406906","N#C[S-].[Ni]"]
["54429789","N#C[S-].[Pb].[Pb]"]
["175695393","N#C[S-].[Fe+2]"]
["49794135","N#C[S-].N#C[S-].[Pb]"]
["161870792","N#C[S-].[Ru+]"]
["56801914","N#C[S-].[NH2+]"]
["161665305","N#C[S-].N#C[S-].[Mo+2]"]
["167461938","O[B+]O.[Ta-]"]
["174776048","N1=NP1.[Tb]"]
["79182813","C[O-].O[B+]O"]
["99327223","[B-]C(F)(F)F.[K+]"]
["175671986","[155Hf]"]
["26295122","C1CC12CCC21CC1"]
["61193480","N=[SeH2]"]
["57136735","[B]=S=[B]"]
["78130579","P[AsH2]"]
["48605666","C1CC23CCC12CC3"]
["175672190","[174Os]"]
["101303871","C=[SeH2]"]
["67392930","[166Tm]"]
["79891632","C=[14CH]"]
["79286581","N=[PH]1CC1"]
["59626281","[SiH3]N([SiH3])[SiH3]"]
["97313056","B1CNBCN1"]
["83057518","N=[As]Cl"]
["78051009","[196Bi]"]
["193448240","[SiH3]N([SiH3])[SiH3].[Si]"]
["79181915","[SiH3]N(Cl)Cl"]
["175672340","[197Bi]"]
["79362082","N.[SiH3]N([SiH3])[SiH3]"]
["182817930","[O-][O+](S)S"]
["173365607","[20CH4]"]
["175671515","[109Mo]"]
["81450087","FC(F)(F)[I-]C(F)(F)F"]
["175672232","[179Hg]"]
["33723694","[O-2].[OH-].[Ti+8]"]
["175670982","[34Al]"]
["174796306","[20CH4].[SiH4]"]
["79410635","[N]=[Se]"]
["175671091","[53Ca+2]"]
["174937146","C.[20CH4]"]
["174406757","[210Th]"]
["173520229","C[As]C.[Ta]"]
["99651978","C[As]F"]
["60633155","C[As]C.[Br-]"]
["91194669","C[As]C.[Ge]"]
["33684342","C[As]C"]
["83536025","C[As]=[As]C"]
["99430186","C[As]C.Cl"]
["172727918","C[As]C.O"]
["79108965","C[As]C.I"]
["161925166","C[As]C.[B]"]
["179628669","F[AsH]F"]
["79237782","[118Ar]"]
["97608931","CC=[P]"]
["97600334","N1C2NC1N2"]
["78973579","[1Fe]"]
["33291169","[233U+6]"]
["175672325","[195Re]"]
["174766224","P.[Ac]"]
["47450937","[Ac].[C-]#N"]
["157088534","[Ac].[Th]"]
["179623964","[Ac].[Ac]"]
["42302306","[Ac].[Na+].[OH-]"]
["190304475","N.[Ac].[NH4+]"]
["46927488","[Ac].[NH2-]"]
["174567354","[Ac].[Sc]"]
["32444127","[18O-2].[Fe+2]"]
["79586992","[Ac].[Al]"]
["175801814","[Ac].[Si]"]
["175672672","[264Sg]"]
["45630328","CB([OH2+])[OH2+]"]
["33877055","[169Lu]"]
["101190311","C#[13C][13C]#C"]
["192741766","OB(O)[OH2+].P"]
["66686247","[141La]"]
["83217916","[131TeH2]"]
["173344514","[NH4+].[OH2+]B([OH2+])[OH2+]"]
["1099145","C#CC#C"]
["191805493","OB(O)[OH2+].S"]
["51087482","N.OB(O)[OH2+]"]
["173224150","[H+].[Na+].[OH2+]B([OH2+])[OH2+]"]
["58248453","[96Tc]"]
["101398161","[H+].[Mg+2].[OH+]=S(=[OH+])([OH2+])[OH2+]"]
["23202817","C#I"]
["99439976","CF.Cl[Si](Cl)Cl"]
["79807777","Cl[Si](Cl)Cl.[Sb]"]
["91208007","C#I.[Zn]"]
["78247584","Cl[Si](Cl)Cl.[H-]"]
["175672482","[223Am]"]
["79197848","Cl[Si](Cl)Cl.[Zn]"]
["175671273","[79Y]"]
["79123383","Cl[Si](Cl)Cl.Cl[Si](Cl)Cl.[Sn]"]
["61175629","Cl[Si](Cl)Cl.Cl[Si](Cl)Cl"]
["175672006","[157Hf]"]
["90960149","o1p2p3p1p23"]
["175672172","[172Os]"]
["181914209","NN(N)P(N(N)N)N(N)N"]
["171930714","[3H][P+]([3H])=S"]
["26787149","[2H]C(Cl)Cl"]
["175671023","[41Si]"]
["101033473","CB[NH]"]
["50348121","ON(O)N(O)O"]
["100752603","[1CH3]F"]
["175670934","[26F]"]
["79698512","INI"]
["79035883","[S]C(Cl)(Cl)Cl"]
["99867913","[152Sm+3]"]
["59589397","BrS(Br)(Br)(Br)(Br)Br"]
["175374841","INI.N.[Pt]"]
["189300743","[Og]"]
["175672146","[169Os]"]
["33270518","[117Sn+4]"]
["79034164","O=[SH2]=S"]
["173061850","Cl.Cl.[PH2+]=S"]
["192314786","[Ag].[PH2+]=S"]
["100854514","C[PH]1(C)SS1"]
["172717450","[Li+].[PH2+]=S"]
["78642431","C[SiH](C)S"]
["164963476","S.[PH2+]=S"]
["53143667","[PH2+]=S"]
["50147125","[K+].[K+].[PH2+]=S"]
["193107802","CI.[PH2+]=S"]
["177201334","[Na+].[PH2+]=S.[S-2]"]
["174515647","[34SiH4]"]
["175670983","[34Si]"]
["78684846","[69Pd]"]
["1100730","[Cr-]"]
["68845338","P1=PP1"]
["79652032","[BH2+].[Cr-].[Fe]"]
["26148611","C[Si](C)(C)[O]"]
["47419144","[235U+2].[O].[O]"]
["79334787","[BH2+].[Cr-]"]
["79523208","[BH2+].[Cr-].[Cu]"]
["175670986","[34Ar]"]
["91640732","[C-]#C[Si].[Li+]"]
["171717740","N[Si].N[Si]"]
["49206711","S[Te]"]
["91630772","[Si]#[S+]"]
["52695848","O[Si].[Si]"]
["200580432","N.N[Si]"]
["79318281","S[Te].[Cd]"]
["172671501","C=C.O[Si]"]
["51103418","N.O[Si]"]
["162326061","Cl.N=[Si]"]
["91279607","[Si]=CS"]
["32129116","[210Pb]"]
["91172261","O[CH-]O.[Y]"]
["55821307","O[CH-]O.[V]"]
["53964962","[Si+]C([Cl+])[Cl+]"]
["91172258","O[CH-]O.[Sc]"]
["91172270","O[CH-]O.[Ti+2]"]
["91303205","[Si+]C(Cl)Cl"]
["99425050","O[CH-]O.[Fe]"]
["61841258","O[CH-]O.[Ce]"]
["91172278","O[CH-]O.[Hf]"]
["172229139","O[CH-]O.[K+]"]
["172401605","O[CH-]O.[Pd]"]
["79544353","[3Ti]"]
["32378492","[164Dy]"]
["79609305","O[Ge]"]
["175672404","[208Rn]"]
["175671337","[87Br]"]
["78126910","Cl.[3Ti]"]
["50275234","[139Cs]"]
["79411243","C[SiH]1OO1"]
["69619609","[O-]NI"]
["78994886","[86SH2]"]
["79555495","[O][PH3][O]"]
["25272420","C=C[NH]"]
["79565552","[O][PH3][S]"]
["78607782","Br.[O][PH3][O]"]
["63094459","[98Nb]"]
["79951989","C.OPO"]
["50427411","[150Pm]"]
["97901682","C#[N+][Se]"]
["79850630","OPO.[Li+]"]
["158010536","OPO.[Co]"]
["24313924","N.OPO"]
["175545098","OPO.OPO.[SiH4]"]
["26864638","CN=NC"]
["79852218","OPO.[Na+]"]
["79481132","OPO.[Ni]"]
["172843954","OPO.P.P"]
["101471499","[131Cs+]"]
["78537100","C12C3P1P23"]
["78209192","[95Ar]"]
["46976165","[3H]P([3H])Br"]
["27309218","[131Cs+].[Cl-]"]
["23183478","O[9B](O)O"]
["91077280","F[P+]#P"]
["46823633","C[AsH][AsH]C"]
["6914538","[131Cs+].[H-]"]
["91274049","B1=BP=P1"]
["33191718","[66Ga+3]"]
["175671018","[40P]"]
["173341754","F[SiH2].[GeH2].[SiH3]"]
["78714055","C[B+]C.[Br-]"]
["161512139","[CH-]=P[B+]O"]
["53666927","Cl[As](Cl)(Cl)(Cl)Cl"]
["96913600","C[B+]C"]
["185368385","F[SiH2].[GeH3]"]
["100676002","[3H]N(I)I"]
["68537011","CP(C)(C)=P"]
["175671016","[39Ti]"]
["79395591","C[B+]C.[F-]"]
["166396628","C[B+]C.[W-]"]
["64677972","[102Ag]"]
["175672116","[167Gd]"]
["83235388","[133Ba].[H].[H]"]
["32060585","[133Ba]"]
["68109673","N[SiH](Cl)Cl"]
["68718749","CC(=[Se])C(C)=[Se]"]
["27099596","C[N+](C)(O)O"]
["79153932","[301Pb]"]
["65774575","[170Er]"]
["79502635","[C]C(C)(C)C"]
["18455613","[O]N[F+]"]
["174258851","O=[Si](P)P"]
["91018703","[Cl-].[O]N[F+]"]
["97313430","FB=NF"]
["161922386","[C]C(C)(C)C.[Mo]"]
["76997512","[C]C(C)(C)C.[Ta]"]
["52259502","[C]C(C)(C)C.[W]"]
["67354526","[C]C(C)(C)C.[V+]"]
["1099963","[218Po]"]
["78375470","FC(F)(F)F.[O]"]
["79923055","F.FC(F)(F)F"]
["196521564","FC(F)(F)[18F]"]
["176135494","FC(F)(F)F.[Mo]"]
["161836635","FC(F)(F)F.[F-].[Li+]"]
["79070626","FC(F)(F)F.FC(F)(F)F.O"]
["193085102","FC(F)(F)F.O.[Ar]"]
["194602774","[3H][P+](I)(I)I"]
["191265402","FC(F)(F)F.[Cu]"]
["62629335","FC(F)(F)F.[Na+]"]
["79570260","FC(F)(F)F.[He]"]
["78721430","[210Pt]"]
["79243546","[K+].[O]I"]
["44122640","Cl[Te+](Cl)Cl"]
["79243970","[Ca+2].[O]I"]
["79243366","[Ba].[O]I"]
["79243111","[Li+].[O]I"]
["1100311","[O]I"]
["79243535","N.[O]I"]
["1099363","[17O]"]
["175672489","[225Th]"]
["58400506","[3H][B-](=[B+])C"]
["97916518","C[N+](C)(C)[N-]"]
["175671100","[54V]"]
["175672013","[158Sm]"]
["53525806","[2H]I=O"]
["67252666","C1CC[Ge]C1"]
["78278857","[120S]"]
["190654735","C.C.[2H]I=O"]
["1096359","[220Rn]"]
["160638496","[220Rn].[Rn]"]
["170953703","O.[220Rn]"]
["101703338","[SiH]C([SiH+])[SiH-]"]
["171177510","Cl.[220Rn]"]
["157555259","[220Rn].[Th]"]
["163563382","[158Dy]"]
["34577014","FN(F)N(F)F"]
["175671294","[82Br]"]
["79202900","[71SH2]"]
["79223765","N1O[SiH2]O1"]
["79479355","[C]#[P+][S-]"]
["175671664","[124Cd]"]
["79716177","[102Au]"]
["161602996","PN=NP.[Ni]"]
["1100401","[NH2+]"]
["79067521","[F+]=[C-]S"]
["145646164","[SiH2]=NP"]
["78331772","P/N=N/P"]
["91535423","PN=NP"]
["60187808","BrB(I)I"]
["79021528","P[N]P"]
["79623504","[50Fe]"]
["65251324","[SiH3][As]([SiH3])[SiH3]"]
["175605226","[50Fe].[Ni]"]
["176126623","[Te][As]=[Te]"]
["175671208","[71Cu]"]
["191779208","N=[NH2+].[Cu+2]"]
["91281907","[NH2+]=[Te]"]
["191054177","N.[NH2+]=P"]
["193221364","NC=[NH2+].[Y]"]
["1104176","N=[NH2+]"]
["172148356","[2H][N+]([2H])=S"]
["79263540","[165Xe]"]
["100568285","[NH2+]=NN=[NH2+]"]
["67336639","NN=[NH2+]"]
["48722013","[NH2+]=P"]
["171652963","NC=[NH2+].[H-]"]
["175671244","[76Ga]"]
["79623588","N[Ge]"]
["79364635","[S-2].[S-2].[Sb+4]"]
["34437141","[60Ni]"]
["58693431","C=[SH2].[W]"]
["175590250","[60Ni].[W]"]
["79415137","[O-2].[O-2].[Sb+4]"]
["57051688","[B-]=[P-]"]
["26201051","CP(C)Br"]
["100850867","C=[SH2]"]
["175672061","[162Lu]"]
["62523665","[S-]NI"]
["97689855","C=P(F)(F)F"]
["43205806","[131La]"]
["59012751","[N]N[CH+][O-]"]
["26876411","CC(C)=[N]"]
["183467056","C=P([O-])([O-])[O-]"]
["175671924","[150Ce]"]
["96807385","P12P3P4P1[P+]234"]
["169869256","[143Ta]"]
["185717098","C=[SiH3-].[V]"]
["79082291","C=[SiH3-].[Na+]"]
["66041193","[As+3].[O-][As]([O-])([O-])=S"]
["161824115","C=[As][PH]"]
["185617501","C=[SiH3-].[Pt]"]
["66018528","[O-][As]([O-])([O-])=S"]
["161477837","C=[SiH3-].[K+]"]
["185515195","C=[SiH3-].[Pt+2]"]
["60533062","[Na+].[O-][As]([O-])([O-])=S"]
["175672114","[166Ir]"]
["170627692","O=[Si-].[Al]"]
["45105062","O=[Si-]"]
["46903456","O=[Si-].[Ce]"]
["177153867","O=[Si-].[Ca+2].[Na+]"]
["49105388","O=[Si-].[NH4+]"]
["68367956","OP(O)P(O)O"]
["59982396","O=[Si-].[Al+3]"]
["171756668","O=[Si-].[Ca+2].[OH-]"]
["176679203","[B-]C(C)(C)C"]
["55152819","O=[Si-].[K+]"]
["171726277","O=[Si-].O=[Si-].[Ca+2]"]
["79720719","[175Se]"]
["79137128","Br[As](Br)(Br)(Br)Br"]
["97269942","C[GeH](C)[GeH](C)C"]
["79872256","[143Fe]"]
["172586084","O.[Cl-].[Ga+]"]
["174713117","[F-].[Ga+].[H]"]
["63578699","[Cl-].[Ga+]"]
["96901760","C[C](C)C.[Ga+].[SH-]"]
["99553623","[CH3].[Ga+].[NH2-]"]
["15899313","[Cl-].[Ga+].[H]"]
["56174170","[F-].[Ga+]"]
["69552181","C[O-].[Ga+]"]
["91411550","p1pss1"]
["170679376","C#C.[Cl-].[Ga+]"]
["46403537","[Br-].[Ga+]"]
["33339814","[175Yb]"]
["174053878","BrN(Br)Br.P"]
["79021753","[O]O[SiH3]"]
["1099987","[O]OO"]
["1096403","[O]OCl"]
["1106127","[O]OS"]
["57344082","BrN(Br)Br"]
["91588883","BrP(Br)[Br+]"]
["79882830","[Cu+].[NH]N[NH-]"]
["26117652","CN(C)Br"]
["78967347","[O]OO[SiH3]"]
["79269791","[152Pb]"]
["34585081","[178Ta]"]
["193210269","[Cl-].[O-][I+2]([O-])O"]
["192305449","BrP(Br)Br.N"]
["65956351","I[I-]I.[I-]"]
["76721051","I[I-]I.[W]"]
["79883888","I[I-]I.[Nb]"]
["1101647","[TeH+]"]
["190921103","[ClH2+].[O-][I+2]([O-])O"]
["45331791","I[I-]I.N"]
["171871523","C[I-]C.[K+].[K+]"]
["79650106","I[I-]I.[Tm]"]
["190260195","I[I-]I.I[I-]I"]
["78203945","[46Ni]"]
["32130330","[188W]"]
["175671824","[140Te]"]
["150317894","C1=C[SiH]1"]
["175672323","[194Pt]"]
["175671651","[123Ru]"]
["79166877","PC(P)(P)Cl"]
["175672574","[243Fm]"]
["97631557","C=P[SiH3]"]
["66641288","[117In]"]
["100854835","[NH-]/C=C/[NH-]"]
["192161053","[Nb+3].[O-2].[OH-]"]
["185398270","Cl[SiH]1[SiH](Cl)[SiH](Cl)[SiH](Cl)[SiH]1Cl"]
["91536127","[CH+]=C=[CH+]"]
["91632851","[NH-]C=C[NH-].[NH-]C=C[NH-].[Sn+4]"]
["185396169","Cl[SiH]1[SiH](Cl)[SiH]1Cl"]
["57778188","[Cu+2].[NH-]C=C[NH-].[NH-]C=C[NH-]"]
["186385514","[Nb+3].[P-3]"]
["69614827","[NH-]C=C[NH-].[V+2]"]
["171957254","[NH-]C=C[NH-].[NH-]C=C[NH-].[Ti+4]"]
["180804466","[NH-]C=C[NH-]"]
["79576442","[149Co]"]
["91362771","[As]12[As]3[As]4[As]1[As]1[As]2[As]3[As]41"]
["170453889","[P-]=P"]
["1104644","[As]12[As]3[As]1[As]23"]
["78215754","[136Ar]"]
["79591817","[153Mn]"]
["97459005","B1PBPBP1"]
["81865970","[210Hf]"]
["175671481","[105In]"]
["91383127","C12=C3C1=C23"]
["60413425","[N]1N=N1"]
["51274280","N=[AsH2]N"]
["63432455","C=C=[Se]"]
["96825477","C[18O]"]
["79936351","[240Pb]"]
["44523806","[CH]=C.[Sn+3]"]
["53684418","[CH3].[Sn+3]"]
["168328288","[Ds].[Ds].[Ds]"]
["91541779","Cl.O=[As]([O-])([O-])[O-].[Sn+3]"]
["42576364","C[CH]C.[Sn+3]"]
["91568445","[Cl-].[F-].[Sn+3]"]
["110961418","Br[Si]1[SiH2][SiH2]1"]
["42767298","[C]#C.[Sn+3]"]
["174192014","[CH]=CC.[Sn+3]"]
["91567448","[F-].[F-].[Sn+3]"]
["168666030","Cl[CH]Cl.[Cl-].[Sn+3]"]
["163563379","[136Ce]"]
["190150144","C[As](C)C.[B]"]
["91413408","C[As](C)C.[In]"]
["78512556","C[As](C)C.Cl"]
["195560271","C[As](C)C.[Mo]"]
["175672063","[162Ta]"]
["1103891","C[As](C)C"]
["165827327","C=[Cl+].[I-]"]
["200575231","C[As](C)C.[Cl-].[Cl-]"]
["191065280","C[As](C)C.[Os]"]
["172809456","C[As](C)C.O"]
["167240534","C[As](C)C.[Au+].[Cl-]"]
["1101800","[202Po]"]
["90927684","c1c[si]2cc[si]1=2"]
["27309498","[48Cr]"]
["79955666","[112Ho]"]
["145752943","[126SH2]"]
["1099414","[201Po]"]
["191674641","C.C.C=NN=C"]
["191177158","FI(F)(F)(F)F.I"]
["26748800","C=NN=C"]
["175671063","[47Cr]"]
["48242518","C[O+]([SiH3])[SiH3]"]
["50507079","C#[SiH]"]
["27309002","FI(F)(F)(F)F"]
["175671485","[106Y]"]
["83443769","[B]NN[B]"]
["175672508","[229Pa]"]
["175671464","[103Tc]"]
["34326856","[81Rb+]"]
["171039724","[81Rb+].[H-]"]
["70707960","[81Rb+].[OH-]"]
["51498089","[Si+]#S[Se-]"]
["63720049","[S+]=[Se]"]
["200513709","[81Rb+].[Cl-]"]
["175671359","[90Rh]"]
["175672619","[255Cf]"]
["79064716","[28Mo]"]
["175671905","[148La]"]
["185862372","[Cl+3]"]
["27303720","O=[Xe](=O)=O"]
["110910795","P=C=[PH2+]"]
["50815438","[3H]S[O-]"]
["79421862","O=P([O-])([O-])[O-].[Cl+3]"]
["33210719","[179Lu]"]
["175671952","[152Yb]"]
["83499066","O=O.[Nb]"]
["191113134","O.O=O.[Si]"]
["190661705","O=O.S"]
["67054524","O=O.[He]"]
["174820640","O=O.[H-].[Li+]"]
["79675086","O=O.[S]"]
["163638860","O=O.[HH]"]
["26886700","C#C.O=O"]
["48341027","C.O=O"]
["162301462","O=O.[Li+]"]
["32976733","[15O]=[15O]"]
["32765857","[140Ba]"]
["26172701","[C]C(F)(F)F"]
["54904311","[3H]I(C)C"]
["78265760","[307Pb]"]
["83217570","[140Ba].[H].[H]"]
["175671438","[100Ag]"]
["79451723","[173Gd]"]
["79674191","[125Ar]"]
["54705142","[18OH]F"]
["79578185","[8Fe]"]
["78509024","O=[Xe]"]
["79674379","[11Ar]"]
["46772872","[3H][N-][3H]"]
["79697980","[94W].[Re]"]
["165206274","[218Bi]"]
["55438261","O=C[S-]"]
["25693485","[CH+]=C[S-]"]
["65369148","[3H][N-][3H].[Na+]"]
["46780327","[3H][N-][3H].[K+]"]
["170936867","[3H][N-][3H].[U]"]
["161552654","[94W]"]
["27306171","[65Ni]"]
["34079384","[73Ga]"]
["182003142","[Ag].[NH-]F.[NH2-]"]
["66172340","P=P(=P)P"]
["171049115","[K+].[K+].[NH-]F"]
["62070502","[NH-]F"]
["176390992","[NH-]F.[Ni]"]
["100860549","[SiH2]=C(S)S"]
["175353614","[NH-]F.[U]"]
["174879471","[202Au]"]
["62767696","[78Kr]"]
["79377569","[110C]"]
["163957845","[18O][Cl+2]([18O-])[18O-]"]
["170466477","[Se-][As]([Se-])[Se-]"]
["96702901","C[18O-].[Cu+]"]
["185007621","O=P([O-])([O-])[18O-]"]
["65224298","[SiH2]1[Se][SiH2][Se]1"]
["175672531","[233Cm]"]
["91619823","CC(P)(P)P"]
["79786392","C[125Si]"]
["175671681","[126Pd]"]
["79020139","BB=O"]
["91353724","[Cl-].n1nnnnn1"]
["1105685","n1nnnnn1"]
["183986718","CN1N(C)N(C)N(C)N(C)N(C)N(C)N(C)N(C)N1C"]
["78409665","C1C[Br+]1"]
["182720182","CN1N(C)N(C)N1C"]
["185916846","[K+].n1nnnnn1"]
["79226121","Br.n1nnnnn1"]
["46727904","n1nnnnnnnnn1"]
["175671858","[143Sm]"]
["175670906","[21N]"]
["79795890","N=[SH2]"]
["78156695","Cl.N=[SH2]"]
["79688059","POP(OP)OP"]
["79604511","[SiH3]O[Si](O[SiH3])O[SiH3]"]
["1104596","[V+5]"]
["34562632","[Cl-].[V+5]"]
["33355745","O=P([O-])([O-])[O-].[O-2].[V+5]"]
["34650110","[OH-].[V+5]"]
["32895883","[O-2].[V+5]"]
["78558047","[132Ni]"]
["79044452","O=[As]([O-])([O-])[O-].[O-2].[V+5]"]
["33459548","[O-2].[OH-].[V+5]"]
["175671956","[153Ce]"]
["185733433","[SiH2]1[SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["48671730","[B-]P"]
["78422358","[CH-]=[I+]=C"]
["191307995","[SiH2]1[SiH2][SiH2][SiH2][SiH2][SiH2]1.[SiH4]"]
["55664315","[SiH2]1[SiH2][SiH2][SiH2]1"]
["191973100","[SiH2]1[SiH2][SiH2][SiH2][SiH2]1.[SiH4]"]
["34091306","[O-][131I+2]([O-])O"]
["66263469","[SiH2]1[SiH2][SiH2]1"]
["183011691","[SiH2]1[SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["58400601","[SiH2]1[SiH2][SiH2][SiH2][SiH2]1"]
["68885117","[SiH2]1[SiH2][SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["78063532","[49SH2]"]
["172032401","[P-]PP"]
["79245915","[Na+].[Na+].[P-]PP"]
["23776268","I[As](I)I"]
["79768504","[125Cr]"]
["33217586","I[74As](I)I"]
["51257489","[CH2+][CH+][Si+]"]
["91252992","F[As]Br"]
["175671921","[150Cs]"]
["172165966","[B][N-]O"]
["172165965","[B][N-]O.[K+]"]
["148751840","N#C[SeH].[Pb]"]
["101726283","N#C[SeH].[K+]"]
["172708402","N#C[SeH].N#C[SeH].[SeH2]"]
["79400453","N#C[SeH].[Ag]"]
["148751843","N#C[SeH].[Zn]"]
["175582305","N#C[SeH].[Mn]"]
["149904250","C#[N+]Br"]
["148751845","N#C[SeH].[Mg+2]"]
["79682379","N#C[SeH].[Cu]"]
["79080731","[140Fe]"]
["79850019","BB.OP.OP"]
["79071411","BB.[B]"]
["79067344","BB.CO"]
["79609422","BB.[CH3]"]
["79563549","BB.[Al].[Li+]"]
["192995214","C=C.N=[P+]=O"]
["79563491","BB.[He]"]
["79903366","BB.[H+]"]
["79788272","BB.[BH4-].[Na+]"]
["1100954","BB"]
["79194575","BB.[K+]"]
["175671136","[60Mn]"]
["97722480","[C-]=C([CH2+])C(=[C-])[CH2+]"]
["43265741","C[Si](C)(C)[Te]"]
["184764146","[Pd].[Si-]#[N+]P"]
["184764147","[Si-]#[N+]P"]
["101592849","O1S[GeH2]1"]
["100927945","[SiH2]=C=P"]
["175671574","[115Ba]"]
["78330067","[CH]=N.[Sm]"]
["110888511","[Be].[CH]=N.[HH]"]
["101200291","[Be].[CH]=N.[H]"]
["101200292","[Be+].[CH]=N.[F-]"]
["67210212","[CH]=N"]
["175672629","[256Md]"]
["175671780","[135Nd]"]
["1101286","[87Rb]"]
["79018689","N[Cl+]N.[Pt-]"]
["79369591","[100Fe]"]
["175672052","[161Hf]"]
["24988860","C[SiH](C)Br"]
["172727400","Br[SiH](Br)Br.Cl"]
["79638374","[SiH3][SiH](Br)Br"]
["174455042","Br[SiH](Br)Br.[H+]"]
["161583725","Br[SiH](Br)Br.C=C"]
["185805323","[SiH3][SiH]([SiH3])Br"]
["26390845","Br[SiH](Br)Br"]
["25202596","C[SiH](Br)Br"]
["175895328","Br.Br.Br[SiH](Br)Br"]
["79844289","Br[SiH](Br)Br.CO"]
["175671026","[41Cl-]"]
["42233794","O=P([O-])([O-])[O-].[Hf+4].[Li+]"]
["79783418","O=P([O-])([O-])[O-].[I+3]"]
["150500983","O=P([O-])([O-])[O-].[Li+].[SH2+2]"]
["42742117","O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zn]"]
["79897543","O=P([O-])([O-])[O-].[Al+3].[Ti]"]
["174375","O=[32P]([O-])([O-])[O-].[Cr+3]"]
["190593342","O=P([O-])([O-])[O-].[OH-].[OH-]"]
["172740698","O=P([O-])([O-])[O-].[Bi+3].[Ca+2]"]
["78181420","O=P([O-])([O-])[O-].[Cr+3].[Ga]"]
["63719845","O=P([O-])([O-])[O-].[Zn+2]"]
["174705046","O=P([O-])([O-])[O-].[Cl-].[Zr+4]"]
["175671243","[76Zn]"]
["175671289","[82Cu]"]
["179626954","[O-]C([O-])([O-])Cl"]
["68439031","[144Pr]"]
["148560684","[121SH2]"]
["175671480","[105Cd]"]
["175671448","[101Cd]"]
["78994064","[109SH2]"]
["160805151","OC[At]"]
["175671203","[70Cu]"]
["161916961","C1SOS1"]
["175671737","[131Pr]"]
["175691562","Cl.OC[At]"]
["175672309","[191Tl]"]
["79560098","C=C[SiH2].[Ru]"]
["79871183","C=C[SiH2].[Pt]"]
["97632657","O[B-]1(O)OO1"]
["91160107","[Se][Si]([Se])=[Se]"]
["53863948","S=[As](S)(S)S"]
["33055565","[121Sn+2].[OH-].[OH-]"]
["97145695","[CH+]=C=[SiH-]"]
["24947128","C=C[SiH2]"]
["175671076","[50Sc]"]
["34681104","[156Tb]"]
["91621783","O[As](=S)(S)S"]
["175672505","[229Fr]"]
["78642316","[Ba].[C]#N.[Pt]"]
["78416811","[C]#N.[Rh]"]
["56674622","[C]#N.[Pb]"]
["10845","[Ag-].[C]#N.[N]"]
["1096880","[C]#N.[K+]"]
["81895952","[C]#N.[Zr]"]
["23426543","[13C]#[15N].[Cu]"]
["78161662","[C]#N.[Hg].[K+]"]
["173024150","O=[AsH].[H-].[Li+]"]
["79731825","[C]#N.[W]"]
["78456580","[C]#N.[Fe].[K+]"]
["79920075","[109Ni]"]
["79305580","[124Pt]"]
["175671249","[77Co]"]
["172424245","C[Si]O.C[Si]O"]
["91077611","N=[Si]O"]
["172424246","C[Si]O.O"]
["66828736","C[Si]O.[Y]"]
["64558808","O[Si]#[Si]O"]
["26176705","C[Si]O"]
["61029808","N[Si]O"]
["79072460","[126W]"]
["97784948","[CH+]=[N]"]
["78687849","[PH4]OI"]
["185913793","B[TeH].[W].[Zn]"]
["186231046","B[TeH]"]
["175671224","[74Co]"]
["79870110","OO[PH4]"]
["46467167","N[SiH](N)[SiH3]"]
["78264024","[PH4]O[PH4]"]
["78344275","[PH4]OCl"]
["79802499","[PH4]OBr"]
["32910459","[Ta+]"]
["173935008","[B]N.[Ni]"]
["79020137","[B].[B]=O"]
["96950000","C=C[Br+]"]
["175216565","[B]=O.[F-].[Li+]"]
["174581887","[B]=[SiH2].[Fe].[Fe]"]
["150719501","[B]=O.[Sc]"]
["173417988","[B]N.[B]N"]
["175532789","[B]=O.[Co].[Ni]"]
["194076249","C.N.[B]=O"]
["157696919","[B]F.[B]F"]
["173326825","[Al].[B]=O.[O]"]
["79476584","[131Ar]"]
["54220809","F[Ge-2](F)(F)(F)(F)F.[Ba+2]"]
["76743732","F[Ge-2](F)(F)(F)(F)F.[O].[Zr+2]"]
["192689538","O.[Ca+2].[O-][I+2]([O-])[O-]"]
["170603390","N[BH2-]N"]
["57924276","F[Ge-2](F)(F)(F)(F)F.[Na+]"]
["51844102","F[Ge-2](F)(F)(F)(F)F.[NH4+]"]
["60243162","F[Ge-2](F)(F)(F)(F)F.[Mg+2]"]
["177057485","F[Ge-2](F)(F)(F)(F)F.[H+].[H+]"]
["55149942","F[Ge-2](F)(F)(F)(F)F.[Na+].[Na+]"]
["22777366","F[Ge-2](F)(F)(F)(F)F.[K+].[K+]"]
["193030468","O.[Cu+2].[O-][I+2]([O-])[O-]"]
["83229216","[71GeH4]"]
["194519702","[Cl-].[Co+].[H]"]
["79007726","[Co+].[O-]O"]
["78165257","[Co+].[NH2-].[Rh]"]
["78112256","ClC(Cl)(Cl)Cl.[Ar]"]
["78922708","O=[P-].[Co+].[Na+]"]
["163615972","C[CH]I.[V]"]
["79965916","ClC(Cl)(Cl)Cl.[N]"]
["79161271","O.[Co+].[F-]"]
["78693914","[Ca+2].[Cl-].[Co+]"]
["192823779","ClC(Cl)(Cl)Cl.[Hg]"]
["79785440","[Co+].[Ni].[PH2-]"]
["175671596","[117La]"]
["48776465","Cl[Si](Cl)(I)I"]
["24623099","C[Si](C)(C)I"]
["175671657","[123Cs]"]
["185278691","[O-][Si]([O-])([O-])I"]
["59186785","[3H]PF"]
["192840151","C[Si](C)(C)I.C[Si](C)(C)I"]
["55804009","[177Hf]"]
["79482478","NC(N)(N)P"]
["185278692","O[Si](O)(O)I"]
["175672632","[256Rf]"]
["176022883","NSN.[Co]"]
["78242621","Br.[Br+]CC[Te-]"]
["79265199","NS#P"]
["63984647","[234Th]"]
["176052928","NSN.[Mg+2]"]
["79086515","[NH]SN"]
["69522930","NSS"]
["47958129","NSN"]
["79845850","NSN.P"]
["78323391","F.F.NSN"]
["78946919","BSN"]
["1100885","[Gd+4]"]
["34637477","[135Cs]"]
["184831205","[2H]S([2H])=S"]
["24482667","[Gd+4].[SiH2-2].[SiH2-2]"]
["79311868","N[PH]"]
["175670965","[31Cl-]"]
["59162052","O=C[Te]"]
["79249799","C=C[Te]"]
["78202368","[121Fe]"]
["175672254","[183Os]"]
["79279205","CC(C)([NH])C(C)(C)[NH]"]
["185394564","C[As](C)[NH-]"]
["79313650","CC(C)([NH])[NH]"]
["91152397","[Se]=C[Te]"]
["97495141","C=C[AsH]C=C"]
["26374699","[NH]C(Cl)(Cl)Cl"]
["64742424","O[Se](O)(O)O"]
["79927081","[44N]"]
["79106982","O[PH]"]
["96827482","[2H][C]=S"]
["175671859","[143Eu]"]
["91641747","S1C23SC12S3"]
["175671769","[134Pr]"]
["79235948","C=C.OOO"]
["194189546","C=C.C=C.[Sm]"]
["194459678","C=C.C=C.[W]"]
["79126362","C=C.C=C.[Co]"]
["100283230","C=C.C=N"]
["191149676","C=C.[Mg+2].[O-2]"]
["175401935","C=C.[Cu].[Zn]"]
["161880373","C=C.[Sb].[Sb]"]
["62020142","C=C.C=C.[K+]"]
["78274050","C=C.Cl.[Rh]"]
["79621977","C=C.CCl"]
["175671786","[136In]"]
["184857029","[CH2+]C=[Si-].[CH2+]C=[Si-]"]
["25173928","[CH2+]C=[Si-]"]
["159618667","S=[AsH3].[SiH3][AsH2]"]
["171985264","[2H][I]O"]
["56973306","[18CH]#[18CH]"]
["63347586","[Si+]C=[Si-]"]
["45397379","[3H]C#N"]
["57881171","[SiH3][AsH2]"]
["48465831","IP(I)NP(I)I"]
["175671250","[77Ni]"]
["78360891","[BH2+].[Fe-]"]
["78472819","[BH2+].[Fe-].[O]"]
["175672054","[161W]"]
["79960705","[BH2+].[Fe-].[Zr]"]
["144571304","[BH2+].[Fe-].[Li+]"]
["79042949","[BH2+].[Fe-].[Nd]"]
["78111895","[BH4-].[BH4-].[Ra+2]"]
["174904643","[BH4-].[Na+].[Ni]"]
["1096263","[BH4-].[Na+]"]
["167232456","C[Te-].[Na+]"]
["32618379","C[Te-].[Li+]"]
["148625085","[BH4-].[Li+].[Na+]"]
["175213839","[BH4-].[Ce].[Na+]"]
["167092971","[231Pt]"]
["173113785","[BH4-].[HH].[Na+]"]
["78237761","[BH4-].[BH4-].[Cd+2]"]
["186382992","[Cl-].[Ra+2]"]
["101725196","[BH4-].[Hf+4]"]
["78103011","[126Mn]"]
["79339815","[115Ar]"]
["175671767","[134Sb]"]
["65406845","B1=BB=B1.[Th]"]
["172784881","C[S+]=N"]
["52847454","B1=BB=B1"]
["79663828","[91SH2]"]
["175671902","[148Xe]"]
["198132127","C[S+]=N.[W-2]"]
["175671888","[146Pr]"]
["175671227","[74Zn]"]
["174968616","[28PH3]"]
["79784570","[43Fe]"]
["51002947","[2H][CH2]"]
["33342669","[124I][124I]"]
["194317153","C.C.[2H][CH2]"]
["78676585","C[GeH](Br)Br"]
["32990662","C=NN"]
["153031986","N1N2N3NC123"]
["190711316","C.[2H]I.[2H][CH2]"]
["78676559","C[GeH](C)Br"]
["190693953","C=NN.C=NN"]
["78152708","[118Au]"]
["100799527","C[SH]123SC1(S2)S3"]
["175672431","[212Ac]"]
["175671601","[118Cd]"]
["78149630","[14He]"]
["103091476","N1[Se]N[Se]1"]
["79330518","[61SH2]"]
["79873064","[192Pb]"]
["57344478","F[N+](F)=S"]
["58523865","[238Np]"]
["68224566","[BH2-]=[Si+]C"]
["79842824","Br.Br[N]Br"]
["79113546","[5O]"]
["96545393","b1bc2c1c1bbc1c1bbc21"]
["185009273","N1N[AsH][AsH]1"]
["102928725","b1bc2c1c1bbc1c1bbc1c1bbc21"]
["79676378","[161Cd]"]
["174898070","IB(I)I.[Cs+].[H-]"]
["44678715","CB(C)C.[Y]"]
["79219841","BB(O)O"]
["79680217","BB(Br)Br"]
["79757331","BB(B)B(B)B"]
["97401364","[O]B(F)F"]
["172387450","c12c3c4c5c(c1n23)n54"]
["79902421","CB(C)C.[Si]"]
["161390014","BB(B)F"]
["174355219","Br.CB(C)C"]
["65040410","NB(N)N"]
["175671367","[91Ru]"]
["78120013","[121In]"]
["50111075","[B+]C[Si-]"]
["191500547","N[35S](=O)(=O)[O-]"]
["45563652","[143Pm]"]
["100852183","C=[AsH3]"]
["65042218","S=[AsH3]"]
["175671510","[108Te]"]
["185010679","C[35S](N)(=O)=O"]
["194746683","[95Tc+4].[O]"]
["78264410","[3Rb]"]
["96859114","CP=[P]"]
["79674752","[2As]"]
["79231563","[19Ar]"]
["175672319","[193Bi]"]
["24985899","[NH]C(Cl)Cl"]
["175672040","[160Tm]"]
["175672049","[161Tm]"]
["100968010","[F+][BH2-][F+]"]
["42426893","[77Ge]"]
["34281139","Br[CH]Br.[Li+]"]
["25077550","Br[CH]Br"]
["91241270","Br[CH]Br.[Sb]"]
["161712932","Br[CH]Br.Br[CH]Br.[Hg]"]
["91368115","Br[CH]Br.[Ga]"]
["49054944","Br[CH]Br.[Al+2]"]
["101725618","Br[CH]Br.[Hg]"]
["175672065","[162Re]"]
["91199374","Br[CH]Br.[In]"]
["79736778","Br[CH]Br.[Zn]"]
["91267299","Br[CH]Br.[Bi]"]
["175670925","[24O]"]
["1097344","[BH2]"]
["182417821","NN1N(N)N(N)N(N)N(N)N1N"]
["47677379","[BH2].[Cu]"]
["174425951","[BH2].[Fe].[Nd]"]
["54776226","[BH2].[Pt]"]
["160696566","NN1N(N)N(N)N(N)N(N)N1N.[Co]"]
["161154248","NN1N(N)N(N)N(N)N(N)N1N.[Cu]"]
["101726834","[BH2].[W].[W]"]
["175672487","[225Rn]"]
["175671890","[146Dy]"]
["79167045","[56SH2]"]
["175874445","C[9C](=O)O"]
["171980955","[2H]C#[C-]"]
["57979529","[2H]C#[C-].[Na+]"]
["175672635","[257No]"]
["101612591","[BH2+].[Ru].[W-]"]
["79654579","[231Pb]"]
["79370453","[BH2+].[W-]"]
["60540356","N=P(F)(F)F"]
["192450778","[CH2].[W-]"]
["193153268","[CH]C.[W-]"]
["52113998","[19Ne]"]
["161689025","[B]1B=C1"]
["50742394","[O].[W-]"]
["175355385","[SeH]P[SeH]"]
["79084554","[BH2+].[Ni].[W-]"]
["79371461","[145Tl]"]
["45178560","C=[N+]=O"]
["149769724","C1PS1"]
["175672178","[173Er]"]
["50275210","[Ge]#[As]"]
["79304879","[167Pb]"]
["175672515","[230Np]"]
["43873562","F[O+]=[Si-]"]
["175672005","[157Yb]"]
["174664459","[SiH2]SS"]
["58026432","N[O+]=[Si-]"]
["54303491","[Si-]=[O+]Cl"]
["79245470","C#SS"]
["79934588","[PH]SS"]
["97502931","[C+]=[F+]"]
["79836901","[Si-]=[O+][SiH3]"]
["171677736","[Si-][O+]=[Si-]"]
["79060141","[1O]"]
["175672682","[266Bh]"]
["79768881","[1O].[Co]"]
["53621847","CN=[N+]=NC"]
["174515107","[19NH3]"]
["190245336","C=NC.C=NC"]
["63959672","[195Ir]"]
["26563341","C[N]C"]
["79451319","C[N]C.[TeH4]"]
["25561482","C[N]N"]
["67576811","CN=P"]
["197729967","C[15N]=P"]
["53551032","[191Pt]"]
["175671854","[143Te]"]
["175671642","[122Ru]"]
["175672578","[244Fm]"]
["175672291","[189W]"]
["177583281","O=[As]([O-])([O-])[O-].[GeH+3]"]
["91385532","F[Si-].[Li+]"]
["175671072","[49Ni]"]
["79340317","[136Co]"]
["91385533","F[Si-]"]
["172730366","F[Si-].[K+]"]
["79806071","[188Au]"]
["182613583","OCCl.[Zn]"]
["24957128","O=C(P)P"]
["33526193","[125I][125I]"]
["175671192","[68Kr]"]
["79940618","Cl.OCCl"]
["162305857","O.OCCl"]
["60054107","OCCl.OCCl.[Zn]"]
["181269068","OCCl.[Zr]"]
["67540654","OCCl.[Y].[Y]"]
["99429098","OCCl.P"]
["192755067","FC(F)(F)[SeH2+]"]
["175672353","[199Rn]"]
["175672140","[169Dy]"]
["78561294","[12Ti]"]
["190496972","[O-]N=[18O]"]
["101029850","C[P+]C"]
["97517226","[14CH3][Si]([14CH3])(O)O"]
["175670970","[32Al]"]
["67173895","O[Si+]"]
["96693350","C1CC12C1(CC1)C1(CC1)C1(CC1)C1(CC1)C21CC1"]
["175671494","[107Mo]"]
["175671081","[51Ca+2]"]
["63855214","C1CC12C1(CC1)C21CC1"]
["91251759","[Cl+]I"]
["173427786","[18CH4]"]
["91668245","C1CC23CCC12C12CCC31CC2"]
["164497701","C1CC12C1(CC1)C1(CC1)C1(CC1)C1(CC1)C1(CC1)C1(CC1)C21CC1"]
["175672246","[181Hg]"]
["45381242","C1CC12C1(CC1)C1(CC1)C21CC1"]
["79184803","[1Ti]"]
["162027116","[Li+].[SiH2][SiH]([SiH3])[SiH3]"]
["175672416","[210Rn]"]
["34429586","[166Dy]"]
["175671377","[93Br]"]
["185713256","F[N-]Cl"]
["78311719","[38Ti]"]
["79129803","[112CH]"]
["24526954","C[SiH](Cl)Cl"]
["91077286","P#[P+]Cl"]
["175671012","[39P]"]
["191288092","C[SiH](C)Cl.C[SiH](C)Cl"]
["190756420","C[SiH](Cl)Cl.C[SiH](Cl)Cl"]
["24804706","C[SiH](C)Cl"]
["45758465","N#[P+]Br"]
["91312482","[Se]=[P+]=[Se]"]
["52304373","[SiH3][SiH]([SiH3])Cl"]
["79763992","[15Ti]"]
["1103080","[O-][Te]([O-])([O-])([O-])(O)O"]
["1105264","[O-][Te]([O-])([O-])(O)(O)O"]
["1098733","[O-][Te]([O-])(O)(O)(O)O"]
["1099916","[33P]"]
["79376123","[224Pb]"]
["79078314","F[P](F)(F)F"]
["97230165","C[P](C)(C)F"]
["175670921","[23Ne]"]
["96882625","[B+]1CC1"]
["79264503","[28Cr]"]
["26514293","N[C-]=[F+]"]
["48835977","[OH2+]F"]
["193851461","N.[OH2+]F"]
["53644937","[215At]"]
["27307013","[177Lu]"]
["57149960","[3H][B-](=[B+])P"]
["83239850","[132TeH2]"]
["79283334","Cl.[177Lu]"]
["96659522","[B+]=[BH-]C"]
["56094157","[3H][B-](=[B+])I"]
["171418635","[177Lu].[CH3-]"]
["175671758","[133La]"]
["50109640","Cl[Te](Cl)(Cl)(Cl)(Cl)Cl"]
["175672671","[263Sg]"]
["175671323","[85Zr]"]
["42280661","NP(N)[O-]"]
["79201220","BP(N)N"]
["46149952","SOS"]
["174625240","C.SOS"]
["78268281","I.NP(N)N.[Cu]"]
["79772967","NP(N)N.P"]
["78262168","O.SOS"]
["176251384","N.NP(N)N"]
["58368291","NP(S)S"]
["194390201","NP(N)N.[B]"]
["66561932","[2H]I([2H])([2H])([2H])I"]
["50035010","[205Pb]"]
["194003318","OP(O)O.[Cl-]"]
["177583589","OP(O)O.[Er]"]
["175523953","OP(O)O.[Fe].[Fe]"]
["78317216","[235U].[U]"]
["172177219","OP(O)O.OP(O)O.[Y]"]
["174464873","Cl.OP(O)O.OP(O)O"]
["190237414","I.OP(O)O"]
["78981888","Cl.OP(O)O"]
["57753784","OP(O)O.[Cr+2]"]
["79127251","OP(O)O.OP(O)O.[Ni]"]
["179498689","Cn1n(C)n1C"]
["175671903","[148Cs]"]
["102933397","[Si+]C=[GeH-]"]
["1100969","O=[AsH](O)O"]
["42614833","[F+]=[GeH-]"]
["79235298","C[AsH](C)=O"]
["78312501","[122Pb]"]
["185875409","[SH2+]I"]
["78158718","[47Mo].[Re]"]
["175671973","[154Er]"]
["174935221","ClC[TeH]"]
["23679795","Br[Se](Br)(Br)Br"]
["97397284","[Ce+2]"]
["101303544","[Ce+2].[H].[H]"]
["79562106","[Dy+].[F-]"]
["78595423","[Dy+].[O-]O"]
["79923781","[Ce+2].[S-2]"]
["79136440","[Br-].[Dy+]"]
["78715508","[Cl-].[Dy+].[O]"]
["33705251","[Ce+2].[O-2]"]
["79329939","[Dy+].[F-].[O]"]
["33164502","[121IH]"]
["79747432","[Cl-].[Dy+]"]
["79329230","[Ce+2].[F-].[F-]"]
["175671165","[64Se]"]
["58501468","[B]1OO1"]
["58364851","p12p3p1[As]23"]
["101162785","C[Se+](C)(C)(C)C"]
["79030916","[S]C(Cl)Cl"]
["78694699","[7Cr]"]
["1099896","[211Po]"]
["32854576","[81Br][81Br]"]
["83237260","[211Po].[H].[H]"]
["33689877","[145Eu]"]
["50329361","O=[AsH]O"]
["79868068","[42N]"]
["171761809","[CH3].[Sn-]"]
["185164124","[CH3].[CH3].[Sn-]"]
["97176458","[CH]=C.[Sn-]"]
["97416150","[Sn-]"]
["79114862","[117Au]"]
["196606524","Cl.N[18OH]"]
["196606525","N[18OH]"]
["91201650","O=[N+]=S"]
["175672424","[211Ac]"]
["27022006","C1#C[SiH2]1"]
["78561471","S=[N+]=[Se]"]
["78169272","[122Ni]"]
["79020315","[B+]C(C)(C)C.[Br-].[Br-]"]
["175671162","[64Co]"]
["175671998","[156Ta]"]
["78112882","[N]=[PH2][O]"]
["78653898","BNCNB"]
["48637242","S=[14C]=S"]
["175671727","[130Ce]"]
["175671238","[75Kr]"]
["33525348","[199Au]"]
["172122194","SI(S)(S)(S)S"]
["161424035","[B]1NO1"]
["83230739","[81SeH2]"]
["177510068","[239Th]"]
["67517436","[CH][O+]=[CH-]"]
["59921659","[2H]C[19B]"]
["97473465","[CH]=BF"]
["66157203","N#[N+]P"]
["25852073","C#[N+]P"]
["78538144","CC1(C)B=B1"]
["64136843","[238Th]"]
["50149135","[86Kr]"]
["78626938","[BH3-]C.[K+]"]
["167167931","[BH3-]C"]
["166568914","F.FB=P"]
["45345903","FN=[F+]"]
["200581153","[BH3-]C.[Na+]"]
["78980050","[BH3-]C.[Li+]"]
["175672384","[205Au]"]
["55844110","N=[As]"]
["161448963","FB=P"]
["79671087","[5Zr]"]
["15607259","[BH2-].[Li+]"]
["191335699","[BH2-].[K+]"]
["1099761","[BH2-]"]
["175672110","[166Ta]"]
["175671670","[124Ce]"]
["172705917","[BH2-].[Na+]"]
["79541617","[P+4].[S-2].[S-2]"]
["101726231","[BH2-].[Pt]"]
["175671484","[106Sr]"]
["48813088","[100Rh]"]
["27308726","[66Ni]"]
["175671228","[74Ga]"]
["44417680","[142La]"]
["43066360","FN(Cl)Cl"]
["45349587","Cl[As]C(Cl)Cl"]
["150566436","[90BH3]"]
["48415404","[239Am]"]
["96936277","ClC(Cl)(Cl)[Br+]"]
["166562880","N[Si](N)=[Si](N)N"]
["175672255","[183Ir]"]
["97930524","[145V]"]
["27304035","[153Sm]"]
["175671613","[119Cd]"]
["78596350","[58SH2]"]
["53837022","C[Si-](C)(C)(F)F"]
["185481195","[N-]=CCl"]
["147742297","[2Mn]"]
["78127562","Cl.[2Mn]"]
["116260509","C[14C](C)(C)O"]
["162316550","C1P=[P+]=P1"]
["1099050","[3He+2]"]
["27076814","PC(Cl)Cl"]
["1099005","[He+2]"]
["193830712","Cl.PC(Cl)Cl"]
["79676375","[10S]"]
["175672301","[190Au]"]
["44372544","C[123I]"]
["79240750","[15C]"]
["32739275","[123I][123I]"]
["101373471","F[123I]"]
["175671070","[49Mn]"]
["167341223","Cl[Se](Cl)=[Se](Cl)Cl"]
["157489330","Cl[As](Cl)Cl.P"]
["23120451","Cl[As](Cl)Cl"]
["27305500","C[As](C)[As](C)C"]
["83057519","[S][As](Cl)Cl"]
["34327266","C[As](I)I"]
["96749253","F[C@H]1[C@@H](F)[C@H]1F"]
["172861130","Cl[As](Cl)Cl.[Na+]"]
["176129392","Cl[As](Cl)Cl.[Cu]"]
["91670419","Cl[As](I)I"]
["45050358","F[I+]F"]
["175672399","[207Fr]"]
["181899474","C1C[N-]1"]
["78595765","[43SH2]"]
["195245199","C[13C](Cl)(Cl)Cl"]
["91102626","CC(C)(C)N.[Ni]"]
["160608213","CC(C)(C)N.NN"]
["159729711","CC(C)(C)N.CC(C)(C)N.[W]"]
["198084181","CC([13CH3])(F)F"]
["79108507","CC(C)(C)N.[Pt]"]
["175353615","NF.[U]"]
["191588672","CC(C)(C)N.[SiH4]"]
["175232028","CC(C)(C)N.[HH]"]
["175795972","CC(C)(C)N.[Sb]"]
["110912877","CC(C)(C)[GeH]"]
["175671844","[142Sb]"]
["97737912","B[AsH2]"]
["78519095","[CH2]P"]
["61507522","[2H][CH]P"]
["175671290","[82Zn]"]
["61378043","[137Pr]"]
["175670875","[11Li+]"]
["57451188","C1=[SiH]C=[SiH]1"]
["1102911","[111Cd]"]
["175671274","[80Cu]"]
["175671292","[82Ge]"]
["79161432","C[OH2+].NN"]
["49758920","C[OH2+].P"]
["60264941","C[OH2+]"]
["63357669","CO.C[OH2+]"]
["190173253","C.C[OH2+].O"]
["99237889","C[OH2+].N"]
["194268713","SI.[U].[V]"]
["171663251","SI.SI"]
["97909511","[Se]=C([SeH])C(=[Se])[SeH]"]
["174897880","C[OH2+].[Pd]"]
["193829266","N=S.SI"]
["175671673","[125Ag]"]
["168464841","[B-]NN"]
["33380796","[148Gd]"]
["175671904","[148Ba]"]
["1097148","[HeH+]"]
["176027712","[14CH3][14CH](P)P"]
["83292282","[B-]NN[B-]"]
["175672310","[191Bi]"]
["27085728","OC(O)C(O)O"]
["103013503","[GeH2]C([GeH2+])[GeH2-]"]
["78984435","[21Ar]"]
["194362306","OC(O)C(O)O.OC(O)C(O)O"]
["103013502","[GeH2]C([GeH2+])[GeH2-].[GeH2]C([GeH2+])[GeH2-]"]
["23025872","[B+]=[B+].[Mg-2]"]
["175672074","[163Tm]"]
["32142122","[110Te]"]
["66676079","[141Pm]"]
["91224724","CC=[SH+]"]
["61093641","[B-][S-].[K+].[U]"]
["175671353","[89Ru]"]
["101303368","C=C[SiH2-]"]
["167251513","C=[As-](=C)(C)C"]
["175671656","[123In]"]
["79287014","[125Pb]"]
["175672003","[157Er]"]
["69551307","[O][N-]Cl"]
["46233527","[240Cm]"]
["79617956","[La+].[O-]F"]
["79025159","[Br-].[La+]"]
["79205126","[La+].[OH-]"]
["78407692","[Cl-].[La+].[O]"]
["66248318","[La+].[OH-].[O]"]
["79431268","[Br-].[La+].[O]"]
["33324661","ClI(Cl)(Cl)(Cl)Cl"]
["79051101","[La+].[O-]O"]
["78997037","[La+].[O-]Cl"]
["79692157","CI(C)(Cl)(Cl)Cl"]
["78056512","[I-].[La+]"]
["78119967","[138Ar]"]
["174107766","O=[Te]=O.[Er]"]
["174973832","O=[Te]=O.[Mo]"]
["173388912","O=[Te]=O.[TeH]"]
["174699201","O=[Te]=O.[W]"]
["56648657","N=S=N"]
["79743611","O.O=[Te]=O"]
["175351826","Cl.O=[Te]=O"]
["173226252","C=[SiH2].O.O"]
["174979553","O=[Te]=O.O=[Te]=O"]
["175672602","[251Cm]"]
["79512053","[155Mn]"]
["175672566","[242Np]"]
["145504299","N[Si](=O)P"]
["102933577","[GeH2]=c1c(=[GeH2])c(=[GeH2])c(=[GeH2])c(=[GeH2])c1=[GeH2]"]
["174524993","[188Pb].[H].[H]"]
["175672289","[188Pb]"]
["57061167","[138Cs]"]
["100854958","C#[PH+]"]
["97882722","C=[Si](N)N"]
["175672228","[179Os]"]
["78313484","[N]CO.[O]"]
["161961928","[Cl-].[Cl-].[Pr+2]"]
["79527571","[Br-].[Br-].[Pr+2]"]
["26543547","[3H]C(Cl)Cl"]
["27099065","[N]CO"]
["79325754","[F-].[F-].[Pr+2]"]
["79079153","[142Pb]"]
["78214957","[O][N+](=O)Cl"]
["1099716","C1CNC1"]
["172762510","C1CNC1.C1CNC1.C1CNC1"]
["100850393","C#C[GeH2-]"]
["44569202","[CH2+][Si](C)(C)C"]
["170480215","C1CNC1.C1CNC1"]
["50765898","C1CNC1.[Ca+2]"]
["100184165","C1CN[13CH2]1"]
["175672150","[170Tb]"]
["175894158","OOO.[Mn].[Sc]"]
["175816515","OOO.[Al].[Sn]"]
["190589251","OOO.[Zn]"]
["170662053","OOO.OOO"]
["78952668","OOO.[SiH4]"]
["78110891","OOO.[Co]"]
["160058767","OOO.[Sb]"]
["190946141","OOO.[Mg+2]"]
["157261159","OOO.[Ar]"]
["176029601","OOO.[Co].[Fe]"]
["161459138","OOO.[Sb].[Sn]"]
["1103176","[SiH-]"]
["68068149","[F-].[F-].[Pu+2]"]
["24596318","[2H]C([2H])([2H])O"]
["157644632","[2H]C([2H])([2H])O.[2H]C([2H])([2H])O"]
["58353484","[2H][13C]([2H])([2H])O"]
["79067368","[H-].[H-].[Pu+2]"]
["96476855","[129PH3]"]
["157644630","CO.[2H]C([2H])([2H])O"]
["190173252","C.[2H][13C]([2H])([2H])O"]
["173697466","[79Zr]"]
["184625412","[3H][N-]I.[Y].[Y]"]
["172148550","[3H][N-]I.[CH3-].[Eu+2]"]
["184625343","[3H][N-]I.[K+]"]
["184625352","[3H][N-]I.[Y]"]
["54171350","[3H][N-]O.[Mn]"]
["175671085","[52K+]"]
["175390730","BrPBr.BrPBr.[Ni]"]
["173440803","BrPBr.Cl"]
["192756137","C.[2H]I"]
["170512863","[2H]I.[2H]I"]
["78096325","C1#CN1"]
["44152134","BrPBr"]
["174327011","CI.[2H]I"]
["171925991","[2H]I"]
["190711314","C.C.[2H]I"]
["192359070","C.[2H]I.[No]"]
["50138850","[125Sb]"]
["103018876","[CH2]F.[F-].[Mn]"]
["110872461","[CH2]F.[HH].[Pd]"]
["103018875","[CH2]F.[Cl-].[Mn]"]
["79097160","[CH2]F.[Sb]"]
["175671838","[141Xe]"]
["79410149","[CH2]F.[Cr]"]
["101281915","[2H][CH]F.[Li+]"]
["65832719","C[Ge](C)=O"]
["101124750","[CH2]F.[F-].[Mn+]"]
["185384271","[Al].[CH2]F"]
["63485658","[CH2]F.[Hg]"]
["65941435","[130Cs]"]
["78298403","NN(N)N.[Ni]"]
["175129229","C.NN(N)N"]
["193476056","CN(C)N.CN(C)N"]
["174949394","NN(N)N.O"]
["100405184","NN(N)N.[Mo]"]
["78964116","NN(S)S"]
["175672267","[185Hf]"]
["190749398","CN(C)N.CN(C)N.CN(C)N"]
["26294013","CN(N)N"]
["79515874","NN(N)S"]
["79749149","NN(N)N"]
["175672415","[209Th]"]
["42516716","[3H][CH2-].[CH3-].[V+2]"]
["52026040","N#[14C]S"]
["171974927","[3H][CH2-].[Y]"]
["62252848","[3H][CH2-].[Li+]"]
["171946469","[3H][CH2-].[V].[V]"]
["42806395","[3H][CH2-].[V]"]
["179130334","[3H][CH2-].[NH].[W]"]
["43832937","[3H][CH2-].[Na+]"]
["79353710","[O][At]"]
["66521819","[3H][CH2-].[K+]"]
["53317891","[3H][CH2-].[U]"]
["175672350","[199Ir]"]
["59689051","[O-]CCl"]
["185152195","[2H]C([O-])[O-]"]
["42450607","[16NH3]"]
["97120623","[O-]CF"]
["174632771","P.[16NH3]"]
["1105399","[TeH2+]"]
["177583263","O=[As]([O-])([O-])[O-].[Pt+3]"]
["78392638","N[As](N)(N)=O"]
["171039698","[44K+].[H-]"]
["1098178","[Pt+3]"]
["44422380","[44K+]"]
["173055394","[Cd].[SH-].[TeH2+]"]
["79720371","[13Mo]"]
["185384084","[NH-]CCl"]
["171606214","[Cu+].[NH-]CCl"]
["80015173","P#P(I)I"]
["79886248","[13Mo].[Re]"]
["91514840","[Li+].[NH-]CCl"]
["175671311","[84Se]"]
["175671143","[61Mn]"]
["91321354","O=[OH+].[Al+3]"]
["25564193","N#C[PH4]"]
["193179993","O=[OH+].[Fe+2]"]
["192328442","O=[OH+].[H+]"]
["175321963","[Mo+].[P-]=S"]
["102990433","[Gd].[P-]=S"]
["145700311","O=[OH+].[K+]"]
["190649307","C.O=[OH+]"]
["189877594","[C]#C.[P-]=S.[Tl+2]"]
["101302228","[Gd+].[P-]=S"]
["1105311","[129I]"]
["79002232","[125Au]"]
["25030543","[3H]OC"]
["47822314","[188Re].[N]"]
["79824100","[188Re].[211At]"]
["78093837","[79C]"]
["48506454","[3H]OP"]
["58775528","[3H]OS"]
["192818799","[3H]OP.[3H]OP"]
["32465589","[188Re]"]
["175671172","[65Se]"]
["175671178","[66Se]"]
["34027155","[94Tc+7]"]
["193864880","C[BH2-]P"]
["1096992","[217Po]"]
["175971267","[Se]=NN=[Se]"]
["79051518","[31SH2]"]
["67308521","O=[As](O)(O)O.[Cd].[Zn]"]
["78118215","O=[As](O)(O)O.[Na+].[Zr]"]
["79955596","O=[As](O)(O)O.[Y]"]
["200584601","O.O=[As](O)(O)O.[Na+]"]
["173858050","O=[As](O)(O)O.[Ir]"]
["99587445","O=[As](O)(O)O.[CH3-].[Na+]"]
["61443808","O=[As](O)(O)O.[Cd]"]
["177583278","O=[As](O)(O)O.[GeH4]"]
["79016581","O=[As](O)(O)O.[Ca+2].[Mg+2]"]
["177583307","O=[As](O)(O)O.[Ru]"]
["177583262","O=[As](O)(O)O.[Pt]"]
["56643537","[250Cf]"]
["78277831","Cl.[Cf]"]
["185351736","[Cf].[Dy]"]
["61042160","[Cf].[Co]"]
["83282251","[Cf].[I-].[I-]"]
["184673804","[Cf].[Cf].[Zr+2]"]
["172772122","N.[Cf]"]
["83566760","[Cf].[Cl-].[Cl-]"]
["101770678","[Cf].[O-2].[O-2]"]
["91332214","[Al].[Al].[Cf]"]
["1105354","[Cf]"]
["61487747","C1=CC12C=C2"]
["175671291","[82Ga]"]
["145647334","[N-3].[P-3].[W+6]"]
["23426816","[B-3].[B-3].[W+6]"]
["1010754","[W+6]"]
["32658310","[Na+].[O-2].[W+6]"]
["34460518","[O-2].[Si+4].[W+6]"]
["32525209","[O-2].[O-2].[W+6]"]
["33599717","[O-2].[W+6]"]
["78376315","[P-3].[P-3].[W+6]"]
["34061835","[Ti+4].[W+6]"]
["79638273","[As-3].[As-3].[W+6]"]
["79137725","[N-3].[N-3].[W+6]"]
["175671067","[48Mn]"]
["34254289","I[76As](I)I"]
["33372652","I[77As](I)I"]
["83056152","N[Si](Cl)Cl"]
["83226514","[123TeH2]"]
["55175485","[186Ir]"]
["62357529","[CH2+]C=O"]
["175672525","[232Am]"]
["60777886","[194Os]"]
["171039704","[43K+].[H-]"]
["56484448","[170Hf]"]
["27304266","[43K+]"]
["27308163","[43K+].[Cl-]"]
["175671967","[154Ce]"]
["56116807","[2H][I-][2H]"]
["79796918","[5Ar]"]
["163592225","[Na+].[S]P[S]"]
["50904800","[208Bi]"]
["79056745","N[N+](N)(N)N"]
["61990321","[39ClH]"]
["79895863","N.N[N+](N)(N)N"]
["99192956","[Li+].[S]P[S]"]
["79317495","[S]P[S]"]
["174930521","N[N+](N)(N)N.[OH-]"]
["175671107","[55V]"]
["175672024","[159Sm]"]
["79069746","C[OH+][O-]"]
["101304399","[CH2][PH3+]"]
["100882017","[N-]=C=[GeH+]"]
["96685326","[O+]"]
["56482785","[Mn].[O+]"]
["187027848","[CH2].[O+].[W]"]
["57530371","O=[Te](=O)=O"]
["44940890","[O+].[Tb]"]
["159428177","NB=P"]
["175672240","[180Tl]"]
["170843860","O=[Te](=O)=O.[Ni]"]
["50683900","[O+].[W]"]
["185373041","[GeH3].[GeH3].[SiH2]=[Si](Cl)Cl"]
["178235789","[O+].[U]"]
["48325607","O=[Te](Br)Br"]
["5489939","[131I]"]
["100930187","C1#C[Xe]1"]
["54832459","[185Re]"]
["79637994","CBF"]
["175671999","[157Ce]"]
["173621172","[Al+3].[OH+]=P(=[OH+])[OH2+]"]
["101724917","[Cu+].[OH+]=[Se]"]
["174257180","N=[OH+]"]
["173239494","[OH+]=P(=[OH+])[OH2+]"]
["101724203","[Cd+2].[OH+]=[Se]"]
["66527195","[OH+]=S"]
["101726317","[OH+]=[Se].[Ru]"]
["173090357","[Ca+2].[OH+]=P(=[OH+])[OH2+]"]
["173052713","[Na+].[OH+]=P(=[OH+])[OH2+]"]
["190975806","[C-]#N.[OH+]=S"]
["101726383","[OH+]=[Se]"]
["79765753","[7Fe]"]
["167579825","O.[7Fe]"]
["96982317","[13C+]O"]
["79672126","[124Ar]"]
["97307303","[C+]O"]
["145649790","[52BH3]"]
["79408684","[230Au]"]
["79084586","[123Pb]"]
["172922993","N=P.[Y]"]
["175826672","F.N=P"]
["175169479","N=P.P"]
["53962076","N=P"]
["174060497","[155Er]"]
["65008012","N=P.[V]"]
["174782593","C.N=P"]
["186506724","N=P.[Ti]"]
["194145566","N=P.N=P"]
["79916584","N=P.O"]
["79971051","N=P.[Ni]"]
["79730397","[146Co]"]
["78157671","[2S]"]
["79334119","[Sb+].[SiH3][N-][SiH3]"]
["190777951","[Na+].[SiH3][N-][SiH3]"]
["179626042","[SiH3][N-][SiH3]"]
["79675638","[10Mn]"]
["91173149","C[Te+](C)C.[Br-]"]
["78471128","[Cl-].[Cl-].[SiH4+2]"]
["176443884","C[Te+](C)C.[F-]"]
["90980846","C[Te+](C)C.O.[Cl-]"]
["79333494","CN(C)[S]"]
["79168494","[Li+].[SiH3][N-][SiH3]"]
["172122193","[S-]I([S-])([S-])([S-])S"]
["174449091","[20NH3]"]
["78091939","C[Si](Cl)(Cl)Cl.C[Si](Cl)(Cl)Cl"]
["175327778","P.[20NH3]"]
["34459792","[191Ir]"]
["190979598","[Cd].[SeH]S[SeH]"]
["49225531","C=P[NH-].[U]"]
["23598881","C[Si](Cl)(Cl)Cl"]
["78279049","[SeH]S[SeH]"]
["175671508","[108Sn]"]
["79869032","[146Hg]"]
["63469894","[P-]P"]
["78713224","[S]C([S])=S"]
["172050320","[2H]P([2H])[P-]"]
["79263455","[Na+].[Na+].[P-]P"]
["78959050","O[S].[Cd]"]
["48779126","O[S]"]
["78225286","[71Ar]"]
["78134650","C[O-].[Sb+]"]
["100364421","C[O-].[V+]"]
["172848159","C.C[O-].[Na+]"]
["76846162","C[O-].[Pd+2]"]
["200576393","C[O-].[Cl-]"]
["66131311","C[O-].O"]
["79495402","C[O-].[Fe+]"]
["191021854","C[O-].O.O"]
["170997331","C[O-].C[O-].[Cu]"]
["175316862","CN.C[O-].[Y]"]
["68614097","C[O-].[Pd].[Pt]"]
["78211309","[81Mn]"]
["57807852","[O][OH2+]"]
["55450275","[141Cs]"]
["46093448","s1ss1"]
["79251101","[BH2+].[Co-].[Fe]"]
["62843654","s1ssssss1"]
["1104521","s1ssss1"]
["79924912","[BH2+].[Co-]"]
["170616794","s1ssssss1.s1ssssss1"]
["78107528","[BH2+].[Co-].[Li+]"]
["192819778","O.s1ss1"]
["79331865","[119Ni]"]
["168775712","[115W]"]
["79604385","FC(F)(F)C(F)(F)F.[Na+]"]
["431695","FC(F)(F)C(F)(F)F"]
["200575002","C.FC(F)(F)C(F)(F)F"]
["79849292","FC(F)(F)C(F)(F)F.[N]"]
["79637696","FC(F)(F)C(F)(F)F.[Ar]"]
["175671155","[63Co]"]
["190511216","FC(F)(F)C(F)(F)F.S"]
["79469822","FC(F)(F)C(F)(F)F.[O]"]
["172240168","FC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F"]
["174964269","FC(F)(F)C(F)(F)F.[H+]"]
["175672085","[164Tb]"]
["32560334","C[35S](=O)(=O)Cl"]
["161889255","F[At]"]
["61825255","OOOP"]
["79647921","[135B]"]
["84190612","P1C2C3PC123"]
["83220232","[Au+4].[NH-]CC[NH-].[NH-]CC[NH-]"]
["32192118","I[71As](I)I"]
["79830225","[206Sb]"]
["27308664","[72Se]"]
["100156710","[1V].[Mo]"]
["144578205","[17Mn].[Ir]"]
["78292586","[1V].[P]"]
["1100803","[AsH5]"]
["67936652","N=[P-]"]
["68046824","[2H]N=[P-]"]
["79199221","S=[SH2]"]
["175671207","[71Ni]"]
["55846456","[2H]N=[P-].[K+]"]
["53045366","N=[P-].[Li+]"]
["175671269","[79Ga]"]
["70175923","N=[P-].[K+]"]
["34280635","[229Th]"]
["63303076","SOI"]
["78534760","POS"]
["56396794","[OH2+]OS"]
["79525697","SOBr"]
["65674548","C[PH+](C)F"]
["175672043","[160Ta]"]
["167244612","[C-]#C[O-].[Li+].[Li+]"]
["32369993","[134Ce]"]
["172654441","[C-]#C[O-].[Mn+2]"]
["78373888","B[Si](=O)P"]
["99277291","[OH2+]C(F)(F)F"]
["27309111","[52Fe+3]"]
["175671937","[151Dy]"]
["196764548","[3H][C]C.[W]"]
["52569297","[CH3-].[CH]=[CH-].[Mg+2]"]
["175671229","[74Br]"]
["44593695","[2H][C-]=[CH].[K+]"]
["53342012","[228Rn]"]
["61040784","[CH]=[CH-].[W].[W]"]
["34061457","[144Ce]"]
["1101182","[TeH2-]"]
["121010182","[2H][13CH]([2H])O"]
["26011172","[2H]C([2H])O"]
["67766890","[2H][Si]([2H])([2H])C"]
["79059313","[8Mo]"]
["174940998","FS.[SiH4]"]
["43294243","FS"]
["19736300","FS.SCl"]
["174919431","C=N.FS"]
["21252612","FS.P"]
["65479593","FS.[O-]F"]
["176028456","FS.N"]
["175672023","[159Pm]"]
["79543266","N[P]N"]
["164674792","P=PI"]
["101725014","FP=P"]
["96924607","P=PP=P"]
["79424455","NP=P"]
["65864268","[90Nb]"]
["166854643","BP=P"]
["79393494","Cl.NP=P"]
["175671457","[102In]"]
["161688950","[B+]/C=C/[Si-]"]
["53834466","[37Ar]"]
["100192737","C=C=[PH2+]"]
["32355894","[203Pb]"]
["83230469","[203Pb].[H].[H]"]
["175670940","[27Ne]"]
["194436240","[203Pb].[H]"]
["49976291","[233U]"]
["66790329","[207At]"]
["79688954","I[P]I"]
["79036148","O=[SH2]=O.[Na+]"]
["79544512","F.F.O=[SH2]=O"]
["32402724","Br[B]Br"]
["101031775","[O-][13CH+][O-]"]
["79905568","O=[SH2]=O.[W]"]
["79857554","O=[SH2]=O.[Pb]"]
["78286112","O.O=[SH2]=O"]
["79166124","O=[SH2]=O.[H].[Na+]"]
["1100384","[190Po]"]
["79487442","Cl.O=[SH2]=O"]
["1097407","[V+4]"]
["79167923","[BH3-]C(F)(F)F.[K+]"]
["200577108","[V+4].[V]"]
["175701115","[Ti+4].[V+4]"]
["173006245","[BH3-]C(F)(F)F"]
["175757462","[NH2-].[V+4]"]
["175953928","[Fe].[NH4+].[V+4]"]
["189893804","[B].[V+4]"]
["23389492","[O-2].[O-2].[V+4]"]
["175723103","[Ni+2].[V+4]"]
["33211637","[S-2].[S-2].[V+4]"]
["79593832","[Te-2].[Te-2].[V+4]"]
["79686544","[70Co]"]
["97886896","[C]#[As]"]
["91119296","[C]#[As].[Sn]"]
["91119386","[C]#[As].[Pb]"]
["164661884","[SiH2]1SS1"]
["78204971","[SiH2]1S[SiH2]S[SiH2]S1"]
["78205003","[SiH2]1S[SiH2]S1"]
["175671181","[67Co]"]
["25064912","[CH2][Si](C)(C)C"]
["33689867","[188Re+7]"]
["33497497","[36SH2]"]
["181656175","n1[siH]n[siH]n[siH]1"]
["170555634","N[BH2-]Cl"]
["110889276","C[BH2-]N"]
["173214632","[HH].[O]P[Si+]"]
["928331","[OH-].[Zn+3]"]
["169716505","[F-].[O-2].[Zn+3]"]
["52327487","B[N+](C)(C)C"]
["50711405","[92Y]"]
["185009313","C[SiH-]C.[CH3-].[Mg+2]"]
["185184937","C[SiH-]C.[Li+]"]
["185009702","C[SiH-]C.[Cl-].[Mg+2]"]
["173233816","C[SiH-]C.N.[Na+]"]
["195114380","[79Rb+].[H-]"]
["60885298","N[SiH]"]
["175671516","[109Tc]"]
["100854965","C[SiH-]C"]
["64923424","[2H][Si-](C)C"]
["185375120","C[SiH-]C.[K+]"]
["185717421","C[SiH-]C.[Na+]"]
["175671062","[47K+]"]
["174612787","NN[SeH].O"]
["79398314","NN[SeH]"]
["26476565","C=C=S"]
["79500495","[105O]"]
["79303786","[Na+].[O-]S"]
["173337362","[Ni].[O-]S"]
["78150204","[108Ce]"]
["79666343","[Mg+2].[O-]S.[O-]S"]
["172699118","[Fe].[O-]S"]
["173127893","[Mo+2].[O-]S.[O-]S"]
["66713896","[O-]S.[Y]"]
["173091202","[Gd].[O-]S"]
["45230214","[Na+].[Na+].[O-]S"]
["173067760","[O-]S.[Zn]"]
["174106761","[Li+].[O-]S"]
["79401645","[129Ti]"]
["79873566","C[1C]C"]
["145519275","[77OH2]"]
["46388417","[184Ir]"]
["60458783","[238Am]"]
["79653560","[24Fe]"]
["78654333","O[PH3]O"]
["160695529","ClOOCl.P"]
["177774636","ClOOCl.[Re]"]
["191415604","ClOOCl.[Cl-].[Cl-]"]
["160429054","ClOOCl.[Bi]"]
["79529728","ClOOCl.[Mo]"]
["172735511","N[Si]N.O"]
["79528232","ClOOCl.[Cr]"]
["79265506","[109Ar]"]
["159345834","ClOOCl.[Ti]"]
["175355978","ClOOCl.[Os]"]
["173920886","[22NH3]"]
["59103634","[CH]=BC"]
["175672662","[261Bh]"]
["32197111","[189Ir]"]
["145360320","[3H]C(F)F"]
["62851457","P#[PH+]"]
["174536153","C[SiH](C)[TeH]"]
["175672264","[184Tl]"]
["1097443","[H+].[H+].[O-][S]"]
["175671164","[64As]"]
["175671121","[58Sc]"]
["34714337","[149Tb]"]
["27309359","[63Ni]"]
["57446872","[71Ga]"]
["175672015","[158Tm]"]
["175672284","[187Bi]"]
["55911019","[Cl-].[N].[Os+3]"]
["79445002","[H+].[H+].[Os+3]"]
["642349","[Os+3]"]
["177583370","O=[As]([O-])([O-])[O-].[Os+3]"]
["79082703","[H+].[Os+3]"]
["61069287","[Fe+5]"]
["181391424","CC=[SH2]"]
["46858507","[231U]"]
["161485033","S=[Se](=S)=[Se]"]
["700713","[Fe+5].[OH-].[OH-]"]
["175698459","[Fe+2].[Fe+5]"]
["48380930","[201Pb]"]
["182087340","[Se]=[Se](=[Se])=[Se]"]
["174427187","Cl[TeH](Cl)(Cl)(Cl)[TeH](Cl)(Cl)(Cl)Cl"]
["44144240","C[Si](C)(C)[OH2+]"]
["79880670","N#CPC#N"]
["83229528","[201Pb].[H].[H]"]
["27308591","[137Cs]"]
["27265540","[137Cs].[H]"]
["175948151","o1o[se]1"]
["79477700","[ClH3+2]"]
["57054835","O[B]F"]
["173170498","[Cl-].[ClH3+2].[O-][Cl+3]([O-])([O-])[O-]"]
["60988292","O=BO"]
["91252989","F[As]Cl"]
["175165733","OB=[SiH2]"]
["175953737","[ClH3+2].[Cu+2]"]
["79920642","[ClH3+2].[H-].[H-]"]
["91444297","F[As]=[As]F"]
["78223022","[89Si]"]
["175671752","[132Sm]"]
["79593507","[8Ni]"]
["91217835","[F+]=CCl"]
["175672640","[258Lr]"]
["78310426","[210In]"]
["6914536","[7Be+2].[H-].[H-]"]
["175672581","[245Es]"]
["79828699","[2H][Se][2H]"]
["79089813","C=[C-]Cl"]
["174658684","[2H][SeH].[Ru]"]
["171966720","[O-][C-]=S.[U].[V]"]
["190705060","N1[SiH2][SiH2]1"]
["97848142","N[C-]N.[Li+]"]
["79054032","[2H][SeH]"]
["175671314","[84Zr]"]
["53623728","[CH2+]C([CH2+])=O"]
["79189896","N[SiH]([SiH3])[SiH3]"]
["164363664","[3OH2]"]
["90960147","O=P12p3p1p32"]
["79637203","O=P12NP(=O)(N1)N2"]
["79699340","[23Ti]"]
["62264102","[66Cu]"]
["173057924","O=[SiH-]"]
["33855009","S=[76As][76As]=S"]
["47667047","[B+]P(C)C"]
["97870129","[P]=C=P"]
["79235829","[8SH2]"]
["91178565","B1=PB=P1"]
["173057923","O=[SiH-].[Li+]"]
["79173572","[156Ni]"]
["83224005","[76AsH3]"]
["175671211","[72Fe]"]
["96869035","[C]=[F+]"]
["100873956","C=[Si]([SiH3-])S.[Li+]"]
["83218271","[77AsH3]"]
["78595969","[57SH2]"]
["190962621","C.[BH3-]S"]
["48180809","C[PH+](F)F"]
["191166786","[BH3-]P"]
["190970702","[BH3-][B]F"]
["190962622","[BH3-]S"]
["34041367","[Se+6]"]
["191939295","[BH3-][CH2+]"]
["110894410","[BH3-][Si](C)(C)C"]
["190898866","[BH3-]P(C)C"]
["23469514","[BH3-][N+](C)(C)C"]
["65708868","[BH3-][N+]([BH3-])(C)C"]
["33409427","[86Y]"]
["175671352","[89Tc]"]
["175672375","[203Fr]"]
["175671173","[66Cr]"]
["175672500","[227Np]"]
["48197368","PC(P)(Cl)Cl"]
["96993156","[CH+]=[P]"]
["25420038","PC(Cl)(Cl)Cl"]
["96837953","[2H][C+]=[P]"]
["175671995","[156Yb]"]
["79284136","[170Pb]"]
["175671688","[126Ce]"]
["175672143","[169Ta]"]
["175672132","[168Ta]"]
["78149500","[110Ce]"]
["60563226","[2H]I=[B-]"]
["50184687","[2H]I=[B-].[K+]"]
["169754682","[4CH4]"]
["78131913","Cl.Cl.O=[PH2]F"]
["78132562","Cl.Cl.O=[PH2]Br"]
["51442441","[Si+][Te]#[Si-]"]
["79221153","O=[PH2]I"]
["79945008","Cl.O=[PH2]Br"]
["164640244","C=PF.F"]
["78307704","F.F.O=[PH2]Br"]
["79849912","C[PH2]=O.Cl.Cl"]
["79219012","O=[PH2]F"]
["79623217","O=[N+](Cl)Cl"]
["79389365","[O][PH2]=O"]
["175671390","[94Ag]"]
["176353182","BrOBr.[Bi].[Ta]"]
["78993308","BrOBr.[Nb]"]
["78153221","BrOBr.[N]"]
["46649567","BrOBr.[Se]"]
["78683008","BrOBr.[Ce]"]
["79012931","BrOBr.[Ti]"]
["160024858","BrOBr.Cl.[Bi]"]
["193222131","BrOBr.[Fe+3]"]
["78510895","BrOBr.[Ta]"]
["160916531","BrOBr.[B].[Sn]"]
["43394934","BrOBr.[Bi]"]
["175671171","[65As]"]
["164101247","[201Tl].[H]"]
["78537019","NOBr"]
["79700175","P[Se]"]
["53300354","[N-]=P(=[N-])I"]
["1101538","[201Tl]"]
["67111580","[Hs]"]
["47051253","[CH3-].[Hs].[V]"]
["176007166","O.[Hs]"]
["194070243","C.O.[Hs]"]
["190920381","C.S.[Hs]"]
["50119357","[3H]C([3H])([3H])C([3H])([3H])[3H]"]
["175671640","[121Ce]"]
["79835915","[110O]"]
["189300738","[Fl]"]
["175672421","[211Tl]"]
["100822993","[N]PP"]
["33852372","[159Gd]"]
["175461803","[Fe].[SiH2]P"]
["79621084","[SiH2]P"]
["32916572","[111Ag]"]
["175671103","[54Zn]"]
["77030793","[Na+].[Na+].[O-]NN[O-]"]
["25369282","[CH-]=[O+]N"]
["175671733","[131Cd]"]
["53575903","[O-]NN[O-]"]
["49297975","[69As]"]
["161388461","P1=P2=PP12"]
["50664209","[206Tl]"]
["185711743","C=[PH+]F"]
["1101169","[214Po]"]
["78330036","Cl.ClCl"]
["79844310","ClCl.[Na+].[OH-]"]
["161658913","ClCl.O"]
["79897143","ClCl.N"]
["157366969","ClCl.[Ir]"]
["172709986","ClCl.[Au+3].[Na+]"]
["191801056","Cl.ClCl.[HH]"]
["192627024","C.ClCl"]
["159979096","ClCl.[Ru]"]
["33842507","ClCl.[I-].[K+]"]
["190542443","ClCl.[Ca+2]"]
["175671513","[109Zr]"]
["190478042","CI.[I-].[K+]"]
["192850997","CI.[I-].[Li+]"]
["43140618","CI.[W].[W]"]
["78837622","CI.N.[Pb]"]
["177205580","C.CI"]
["100185201","CI.CN"]
["79526526","CI.[Ag]"]
["79319166","CI.Cl"]
["26499151","CI.CI"]
["51539325","CI.[Ag+]"]
["173735865","CI.[H-].[Li+]"]
["79185457","[219Pb]"]
["172595922","C[CH]C.[Bi].[S]"]
["79044026","C[CH]C.[Zn]"]
["50960164","C[CH]C.C[CH]C.[Ga]"]
["171959580","PC(P)S"]
["79201127","C[CH]C.I.[Zn]"]
["110858158","C[CH]C.[Br-].[Zn]"]
["161951968","C[CH]C.[Al+2].[O-2]"]
["57150397","C[CH]C.[CH3].[Hg]"]
["79293044","C[CH]C.[Tb]"]
["57781462","[2H][N]"]
["161866662","F.SC(Cl)Cl"]
["175671465","[103In]"]
["79834567","[Br+]=[Si]=[Br+].[F-].[F-]"]
["79833735","[55Ar]"]
["79893895","[135Zr]"]
["79721211","[Bi+].[N]/C=C\\[NH-]"]
["175434842","[119Ce]"]
["101726445","[F+]=[SiH2]"]
["78093777","[113Ta]"]
["55121020","N[Se]"]
["185630389","[AsH2]S[AsH2]"]
["57435236","Cl[IH]Cl"]
["1103919","[U+5]"]
["97367091","[CH2+]C[N]"]
["175671895","[147Cs]"]
["26558986","[O]C(F)(F)F"]
["91567832","[Se]=[N+]=[Se]"]
["33650988","[Re+2]"]
["61119490","OBr.[Ca+2]"]
["159901156","OBr.P"]
["63001066","CP(C)(C)=P(C)(C)C"]
["66539183","OBr.[Ag]"]
["193360509","OBr.OBr"]
["159304450","NCl.OBr"]
["67686240","[Br-].[Br-].[Re+2]"]
["59399541","OBr.[Al+3]"]
["97267061","[BH2-]=P(C)(C)C"]
["54968531","[I-].[I-].[Re+2]"]
["172727094","Br.Br.OBr"]
["175672145","[169Re]"]
["79881577","[129C]"]
["61375926","[69Ge]"]
["175672647","[259Lr]"]
["185389580","F[BH2-]F"]
["183738233","C[SH+](C)=[Se]"]
["79868100","[153Au]"]
["173067860","O=B[Te]"]
["79919956","[Ca+2].[Ca+2].[NH-][CH-][CH-][NH-]"]
["79787483","[Mg+2].[Mg+2].[NH-][CH-][CH-][NH-]"]
["79927333","[29Cr]"]
["26177287","[O]C=O"]
["81883431","[144SH2]"]
["33167611","[Mo+3]"]
["91394416","C#C.CF"]
["172827228","C#C.N.NN"]
["161587187","C#C.[Mn]"]
["175692421","C#C.[Sn+4]"]
["52274027","C#C.[Cl-].[Mg+2]"]
["57196783","C#C.[Cl-].[Cl-]"]
["161880623","C#C.[Al].[Al]"]
["54881150","C#C.[K+]"]
["172766239","C#C.O.S"]
["99294386","C#C.C#C.[Zn]"]
["175139232","C#C.C#N.C#N"]
["175671060","[46Fe]"]
["54088043","[3H][CH2].[Al]"]
["79086322","N#C[P]"]
["171907096","[3H][CH2].[Sn]"]
["78956500","[3H][CH2]"]
["79922200","[147Ni]"]
["175671851","[142Tb]"]
["79675849","[20Mo]"]
["101725894","P=[Si](P)P"]
["175671059","[46Mn]"]
["162337094","[Na+].[Se]=S=[Se]"]
["46431506","[Se]=S=[Se]"]
["83214628","[121TeH2]"]
["34617511","N=[N+]([O-])[O-]"]
["160220129","N=[N+]([O-])[O-].N=[N+]([O-])[O-]"]
["25087167","[81Br]"]
["101708155","[SiH]C(Cl)Cl"]
["100856218","P[CH+]P"]
["170924628","CP(C)[O-]"]
["103004073","[O-]P(S)S"]
["185874892","[O-]P([O-])P([O-])[O-]"]
["185395995","[O-]P(Br)Br"]
["79226038","[153Dy]"]
["51455174","CP([O-])[O-]"]
["175671683","[126Cd]"]
["78099006","[69SH2]"]
["175672008","[157W]"]
["177811799","[160Pt]"]
["53410337","[SiH3][TeH]"]
["174658285","[Fe].[SiH3][TeH]"]
["173826211","[GeH4].[SiH3][TeH]"]
["174974059","[Cd].[SiH3][TeH]"]
["175222970","[H-].[Li+].[SiH3][TeH]"]
["175080457","[Cd].[SiH3][TeH].[Zn]"]
["175149390","[Cr].[SiH3][TeH]"]
["175672397","[207Hg]"]
["52469090","CP(I)I"]
["196347311","[199Tl+].[Cl-]"]
["58126636","OC1=C(O)C(O)=C1O"]
["53599729","[SiH+]=[SiH3-]"]
["197107815","[199Tl+]"]
["63527400","[2H]C([2H])([2H])[S]"]
["79259267","[61N]"]
["175671027","[41Sc]"]
["175671295","[82Y]"]
["45189085","C=CC.[PH4+]"]
["45028711","C=CC.C=CC"]
["63839684","[CH+]=CC"]
["187090157","C=CC.[Ir]"]
["46394441","C=CC.O"]
["78254927","[CH]=CC.[CH]=CC.[Zn]"]
["68491583","C=CC.[Pd]"]
["79825968","C=CC.[Fe]"]
["174886684","C=CC.[Au]"]
["79022069","Br.C=CC"]
["96531667","C=[13CH][13CH3]"]
["45184281","[154Sm]"]
["97778816","N[Si](N)=[SiH]"]
["58878555","O[SiH]"]
["147694115","[C]#[SiH]"]
["174224090","[Cu].[SiH]#P"]
["168652932","[2H][Si]=C"]
["101724558","[Ce+3].[SiH]#P"]
["65484887","[2H][P]F"]
["79650377","C=[SiH]"]
["58786192","C[Si](C)(C)[18OH]"]
["78089427","N=[SiH].[Li+]"]
["181619299","CC(C)=[SiH]"]
["79772637","[38Si]"]
["172195984","[3H]PCl"]
["78396502","[3H]P([3H])B"]
["78055880","[3H]PB"]
["33438669","[157Dy]"]
["1104848","F[Se](F)(F)F"]
["175671321","[85Br]"]
["78195601","[123Fe]"]
["47786489","[2H]P[O-]"]
["50291640","C=[N+](F)F"]
["175671031","[42Cl-]"]
["175670959","[30S]"]
["48930447","[2H]C[S-]"]
["96635244","Cl[SiH]1[SiH]=[SiH]1"]
["173532448","ClC[GeH2]"]
["175671328","[86As]"]
["174704796","Cl.N.N=S"]
["79069027","N=S.[Sn]"]
["79699598","N=S.[Na+]"]
["79906007","N=S.S.[Na+]"]
["42454978","Cl.N=S.[Cl-]"]
["175694413","N=S.[K+]"]
["175262718","CO.N=S"]
["173179254","N=S.[H-].[Li+]"]
["78118083","N=S.S"]
["174878329","F.N=S.[Ag]"]
["194404816","N=S.O"]
["79596413","[134Ni]"]
["78093643","[112Ta]"]
["91225055","ClC=[N+]=CCl"]
["175671715","[129La]"]
["175672088","[164Lu]"]
["175672650","[259Sg]"]
["79925878","[32Ar]"]
["51576825","[3H]C#[C-].[V]"]
["193358640","[3H]C.[3H]C#C[3H]"]
["175671415","[97In]"]
["57356111","ClOBr"]
["32153877","ClC1(Cl)N=N1"]
["58092508","[3H]C#C[3H]"]
["175672593","[248Bk]"]
["47565353","[110Ag+]"]
["59729161","[158Eu]"]
["175671168","[65Fe]"]
["79051354","C=NI"]
["97732658","[B+]N"]
["59278472","[B+]N.[I-]"]
["79394422","[38CH]"]
["102908378","[Br-].[CH2]Br.[Zn]"]
["79164044","Cl.Cl.NC(N)(N)N"]
["110872462","[CH2]Br.[HH].[Pd]"]
["34693320","[CH2]Br.[Li+]"]
["172457722","[Al].[CH2]Br"]
["175671296","[82Zr]"]
["96812248","[CH2][79Br]"]
["97729503","[CH2]Br.[Pd]"]
["111025363","[Al].[CH2]Br.[CH2]Br"]
["91640878","[CH2]Br.[Hg]"]
["161712996","[CH2]Br.[CH2]Br.[Hg]"]
["79142997","[120Si]"]
["174849304","[120Pd]"]
["33399528","O[33P](O)O"]
["1098818","[34S]"]
["78261280","[CH]=S.[Na+]"]
["61824274","N[SeH]"]
["79328979","[CH]=S.[Cu]"]
["57994393","[CH]=S"]
["175671383","[93Pd]"]
["96958759","[13CH]=S"]
["172609068","[CH]=S.[Pb]"]
["174866227","N[SeH].[Zn]"]
["194484639","[CH]=S.[Sb]"]
["78417528","[CH]=S.[Sm]"]
["189975785","[CH]=S.[Sn]"]
["79571791","[154Au]"]
["43579941","N1NOO1"]
["78205670","[142Co]"]
["181336616","C[B][S-]"]
["60464688","P=B[S-].[K+]"]
["67159387","P=B[S-]"]
["184792183","[Si+]=B[S-]"]
["110926209","[GeH]=[GeH2].[GeH]=[GeH2]"]
["174892276","CN(C)O.OO"]
["79338390","CC.CN(C)O.Cl"]
["174893888","CN(C)O.[H-].[Li+]"]
["161114302","CN(C)O.[SiH4]"]
["78995151","[GeH]=[GeH2]"]
["79394712","[6Mo]"]
["176182105","CN(C)O.[Ni]"]
["173421831","CN(C)O.[H-].[Na+]"]
["171381810","CN(C)O.Cl.Cl"]
["79194833","CN(C)O.F"]
["175672704","[273Hs]"]
["79570502","[5Si]"]
["79067799","NN.NN.NNP"]
["79710491","[O]NP"]
["43025004","PNP"]
["79034201","Cl.PNP"]
["79098797","PNP.[Ir]"]
["78406098","PNNP"]
["173066204","PNP.[B]"]
["174662204","NNP.O"]
["174440575","N.N.PNP"]
["78325127","ClN(Cl)[Cl+]"]
["175688802","PNP.[Cr]"]
["175672402","[208Hg]"]
["175671021","[40Sc]"]
["175694655","[2H][SiH]([2H])[SiH3]"]
["79920914","[7Si]"]
["78970197","[N]=[GeH2]"]
["78685153","[N]=[GeH2].[SiH4]"]
["168441256","B1=[N+]C1"]
["79825355","[127N]"]
["174631291","FI.[Os]"]
["110847600","[18F]I"]
["160295153","FI.P.[Ba]"]
["176183233","FI.[Ag]"]
["160265608","FI.[B]"]
["69613292","FI.[V]"]
["61154663","[3H]SP.[W]"]
["79120296","FI.[Ba]"]
["33296519","FI"]
["192219771","C.FI"]
["174913905","FI.[H-].[Li+]"]
["79498226","[50S]"]
["79533829","F[C]1OO1"]
["100853819","[CH2][SH2+]"]
["79811604","C[SH2+].[CH3-]"]
["194223693","C.C[SH2+]"]
["194145997","C.C[SH2+].[Y]"]
["79745929","C[SH2+].[S-2]"]
["181932731","[SH2+]C(Cl)(Cl)Cl"]
["190791616","C[SH2+].[Y]"]
["185377403","S[SH2+]"]
["174900876","S[SH2+].[Co]"]
["79950755","C[SH2+].N"]
["50162978","[94Y]"]
["185480289","F[CH-]F.[Zn]"]
["61859271","[SiH2]=[SiH2]"]
["185674744","F[CH-]F.[Ni]"]
["194623204","F[CH-]F.[Cd]"]
["161689735","F[CH-]F.[Li+].[Li+]"]
["64160132","F[CH-]F.[Li+]"]
["52211902","[Se]=[Se+]"]
["54023930","F[CH-]F"]
["172652793","F[CH-]F.[Au+]"]
["91537447","F[CH-]F.[Y]"]
["60640266","P[CH-]P.[U]"]
["78082788","[130Mn]"]
["68543221","O[O+](O)O"]
["79278828","[111Ar]"]
["175671360","[91Se]"]
["78145925","[3V].[Ga]"]
["97614405","[C+]C[C+]"]
["1100787","[TeH4]"]
["80006857","[TeH4].[W]"]
["79838383","O=[Cl+]=O.[Br-]"]
["78680095","O=[Te].[TeH4]"]
["55348492","[208Tl]"]
["78672334","[Bi].[Pb].[TeH4]"]
["78714185","[Ni].[TeH4].[TeH4]"]
["52755019","[Cu].[Cu].[OH2+][OH2+]"]
["57635520","O=BF"]
["145675555","[Bi].[O].[TeH4]"]
["78715681","Br.[TeH4]"]
["33569752","[71As]"]
["175671459","[103Rb]"]
["175671983","[155Tm]"]
["172554632","CO.[2H]CO"]
["83061816","C1C[Ge]1"]
["97623718","[2H]C([2H])F"]
["190926677","C.C.[2H]CF"]
["192385477","C.[2H]CF"]
["64219509","[2H]CN"]
["172436192","O.[2H]CO"]
["172477674","Cl.[2H]CN"]
["58234382","[2H]C([2H])Cl"]
["59611358","[2H]CF"]
["23674054","[2H]C([2H])([2H])[S-].[Na+]"]
["175672030","[159Hf]"]
["91569013","O=[P].[Cu]"]
["91208221","O=[P].[Hf]"]
["78473726","O=[P].[Al]"]
["79631866","O=[P].[Ca+2]"]
["91442235","O=[P].[Al].[Bi]"]
["91431284","O=[P].[Ba].[Cu]"]
["78100078","O=[P].[Al].[B]"]
["166773545","O=[P].[Al].[Ti]"]
["78577912","O=[P].[Ti].[V]"]
["78100278","O=[P].[Al].[Be]"]
["91566828","O=[P].[Fe].[Mo]"]
["34061264","[124IH]"]
["78155102","[Li+].[Li+].[N-]OP"]
["33049220","[149Eu]"]
["78209604","[BH2+].[Mo-].[Ni]"]
["78229158","[BH2+].[Mo-].[Ti]"]
["702302","[Ca+3].[OH-]"]
["170336331","[BH2+].[Fe].[Mo-]"]
["190932025","C=[O+][S-]"]
["170336326","[BH2+].[Co].[Mo-]"]
["79413853","[BH2+].[Mo-]"]
["48228890","[111IH]"]
["175672697","[270Hs]"]
["79274711","[101Cr]"]
["173430079","[SeH][I][Te-]"]
["183414390","[2H]PCl"]
["79808598","[86O]"]
["102438182","[Ba+2].[O-][PH+]([O-])[O-]"]
["174405219","P[SeH].[H-].[K+]"]
["101978941","[Mg+2].[O-][PH+]([O-])[O-]"]
["1096343","[BH3-2]"]
["101530265","[Mn+2].[O-][PH+]([O-])[O-]"]
["174633548","P[SeH].[Cu]"]
["175376477","P[SeH].[Co]"]
["175061981","P[SeH].[Fe]"]
["60547676","[172Ta]"]
["175078353","P[SeH].[Mn]"]
["61286336","P[SeH]"]
["175671565","[115Nb]"]
["175672320","[193At]"]
["79226693","[59Si]"]
["91411549","P#[S+]"]
["78243818","P#[S+].[Cl-]"]
["79265513","[103Ar]"]
["161659214","[CH-]=[Se].[Li+]"]
["172697917","[CH-]=[Se].[Mo]"]
["43539624","[CH-]=[Se]"]
["161659380","[CH-]=[Se].[Cu+]"]
["172609067","[CH-]=[Se].[Cd]"]
["79727463","[BH2+].[Hf-]"]
["111014611","[BH2+].[Hf-].[Sc]"]
["172987317","[CH-]=[Se].[Mn]"]
["172768544","[CH-]=[Se].[W]"]
["78327297","[122Mn]"]
["175671474","[104Sb]"]
["175671543","[112Xe]"]
["175671125","[58Cu]"]
["32683993","[195Au]"]
["50754600","C[Si](C)(C)[NH-]"]
["175671210","[71Kr]"]
["78983416","[28C]"]
["61164601","[248Am]"]
["121011178","[18OH-].[Na+]"]
["175672201","[175Ir]"]
["79784631","[43Mn]"]
["175670876","[11Be]"]
["79533258","[O]P(Br)Br"]
["78603605","PP(Br)Br"]
["58931235","BrP(I)I"]
["78775497","BP(B)Br"]
["173362801","[Se-]Br"]
["79880609","SP(S)Br"]
["175671723","[130In]"]
["172755543","OC1=BC1"]
["175671751","[132Pm]"]
["175671591","[117Te]"]
["78599747","OC1=C(O)C1"]
["79801386","[254Pb]"]
["171603523","N#C[O-].O.[Li+]"]
["79586080","FC(F)(F)[S-].FC(F)(F)[S-].[Cu+2]"]
["194048886","Cl.N#C[O-]"]
["148962146","N#C[O-].N#C[O-].[Ag+2]"]
["59461053","N#C[O-].[Tl+]"]
["43324395","N#C[O-].[Zn+2]"]
["56418343","N#C[O-].[Cl-].[Mg+2]"]
["65056378","N#C[O-].N#C[O-].N#C[O-]"]
["99703580","N#C[O-].N#C[O-].[Cd+2]"]
["161720452","[Cs+].[Cs+].[O-]C#C[O-]"]
["78193423","N#C[O-].[Cl-].[Zn+2]"]
["79681853","[180Pb]"]
["174911084","[180Pb].[H].[H]"]
["175671975","[154Yb]"]
["78193120","[126Ni]"]
["79131065","[O]NN[O]"]
["78150527","[41Fe]"]
["62563628","O=[Si](Cl)Cl"]
["33056012","[Ru+8]"]
["101032819","[CH2+][BrH+]"]
["175671896","[147Ba]"]
["175671663","[124Ag]"]
["50346706","[AsH]1[AsH][AsH]1"]
["101062345","[AsH]1C2[AsH]C3[AsH]C1[AsH]C([AsH]2)[AsH]3"]
["97559651","[C-]#C[CH+]C#[C-]"]
["67253789","[145Gd]"]
["47050702","[AsH]1[AsH][AsH][AsH]1"]
["175672359","[200Fr]"]
["26920243","C[S+]C"]
["182787363","C[S+]=[Se]"]
["61349610","[3H]S([3H])([3H])C"]
["174743634","[63Cr]"]
["175671462","[103Zr]"]
["54832386","[CH2+]C"]
["175399244","Cl.Cl.ClPCl"]
["195834023","[CH2+]C.[CH3-]"]
["172818585","ClPCl.N"]
["174339832","ClPCl.[Pd]"]
["58652973","[Br-].[CH2+]C"]
["174854744","ClPCl.[Ni]"]
["78644883","[CH2+]C.[Cl-]"]
["175736148","N.[CH2+]C"]
["64168972","C[124I]"]
["66085894","ClPPCl"]
["78728544","[51C]"]
["191879962","C[35S](=O)(=O)[O-].[Na+]"]
["34166361","C[35S](=O)(=O)O"]
["164453503","[289Pb]"]
["190390170","F[OH+]F.N"]
["60741015","C[OH+]C"]
["67715815","C[OH+]C.N"]
["175671638","[121Ba]"]
["79338721","[H+].[SiH3][OH+][SiH3]"]
["79385826","F[OH+]F"]
["175338944","C[OH+]P"]
["97667075","[Cl+]=C=[Cl+]"]
["78158717","[148Ti]"]
["175671718","[129Nd]"]
["194120239","F[OH+]F.N.[Mg+2]"]
["57872396","[135Ba]"]
["44064192","[104Ag]"]
["79932323","[303Pb]"]
["168701603","[NH-][O]"]
["181704638","[Bi].[S+]=C=[SH2]"]
["48941166","P[S-]"]
["78193957","P[S-].P[S-].[Pd+2]"]
["78872503","[Ir+2].[NH-][O].[NH2-]"]
["97118043","P[S-].[Au+]"]
["61187374","[NH-][OH2+]"]
["83221130","[135Ba].[H].[H]"]
["175672138","[169Gd]"]
["79265470","[153Ni]"]
["78323401","[Mn].[O-][OH2+]"]
["78105976","[O-][OH2+].[Si]"]
["79593028","[O-][OH2+].[Sb]"]
["33017830","[Br-].[Cl-].[Tl+2]"]
["78151801","[O-][OH2+].[Pb]"]
["79907859","O.[O-][OH2+]"]
["78274638","N#CC#N.N#CC#N"]
["78257860","[Mn].[Mn].[O-][OH2+]"]
["78105892","[Ga].[O-][OH2+]"]
["179181946","[Cl-].[I-].[Tl+2]"]
["164028474","[I-].[I-].[Tl+2]"]
["175671126","[58Zn]"]
["78112457","C#N.[Re]"]
["78980954","C#N.[Au].[Au]"]
["79768832","C#N.N.N"]
["79523358","C#N.[Yb]"]
["79875196","C#N.[Pb].[Zn]"]
["174320387","C#N.[NH2-].[Zn]"]
["193022721","C.C#N.N"]
["173948472","C#N.[SiH4]"]
["79025637","C#N.[N]"]
["175067477","C#N.[Fe].[Mn]"]
["161729365","Br.C#N.F"]
["79801776","[109Rh]"]
["196648139","[C-]#CI.[V].[V]"]
["79694682","[OH2+]OI"]
["67601877","[CH][OH2+]"]
["160689256","O=[I+]([O-])[OH2+].P"]
["79551096","P.[OH2+]P([OH2+])[OH2+]"]
["170657705","[OH2+]P"]
["73995016","O=[I+]([O-])[OH2+]"]
["79643927","NO[OH2+]"]
["91535753","[C-]#CN.[Li+]"]
["160501642","NN.O=[I+]([O-])[OH2+]"]
["179626262","[OH2+]Br"]
["175672002","[157Pm]"]
["49364559","Cl[Ge-](Cl)(Cl)(Cl)Cl"]
["79377240","[O][N+](=O)I"]
["53934914","[88Nb]"]
["175671955","[153La]"]
["84286937","Br[I+]Br"]
["20283232","ClC[Se]"]
["175672180","[173Re]"]
["78072174","O1OSS1.[K+]"]
["175671170","[65Ge]"]
["79564656","O1OSS1"]
["175672203","[175Au]"]
["23439726","[2H]Br"]
["79657672","[146Hg+].[Cl-]"]
["44704536","[3H]C([3H])[3H]"]
["78072501","O1OSS1.[Na+]"]
["172865576","Br.[2H]Br"]
["27307001","[135I]"]
["53023300","P1PPPPP1"]
["175671420","[98Rh]"]
["78427059","N#I"]
["67586077","N#I.[V]"]
["193038685","N#I.[Zn]"]
["81467208","N#I.[S].[W]"]
["171929673","N#I.[Sc].[V]"]
["79490053","[3Mo]"]
["79636346","[In+2].[S-2]"]
["84127479","[F-].[F-].[In+2]"]
["181448046","C[S-].[Cl-].[In+2]"]
["78245963","[3Mo].[Ta]"]
["96578264","[In+2].[OH-].[OH-]"]
["58601842","[Br-].[Br-].[In+2]"]
["32554996","[Cl-].[Cl-].[In+2]"]
["79453064","[In+2].[O-2]"]
["65456694","[I-].[I-].[In+2]"]
["1096917","[203Tl]"]
["172547572","[CH-]=P"]
["91667109","O=C[Si+]"]
["64140391","[CH-]=P.[Li+]"]
["171041211","[203Tl].[H]"]
["161683359","[CH-]=P.[Na+]"]
["175671183","[67As]"]
["78595609","[53SH2]"]
["79547773","C[BH2-]C.[Li+]"]
["34369976","[35S]1[35S][35S][35S][35S][35S][35S][35S]1"]
["51684950","B1BB1"]
["164566384","[AsH2][BH2-][AsH2]"]
["178082561","O[BH2-]O"]
["193818602","C.C.C[BH2-]C"]
["79696665","O[BH2-]O.[Na+]"]
["79706625","[BH2+].[Fe].[Pr-]"]
["98179515","C[BH2-]C"]
["1096335","B1BBB1"]
["175671428","[99Pd]"]
["78141012","[212Ho]"]
["175671043","[44S]"]
["79129940","[126Pt]"]
["175671232","[75Co]"]
["79406154","[113P]"]
["79597663","[PH4]NCl"]
["78989292","C[PH4]"]
["78276088","C[PH4].Cl.Cl"]
["79524128","[PH4]I"]
["79259693","[PH4]Cl"]
["79279368","P[PH4]"]
["101305009","[PH4]Br"]
["79787437","[Na+].[O-][PH4]"]
["79839028","F[PH4]"]
["79802101","[110Mn]"]
["171039696","[136Cs+].[H-]"]
["33176635","[159Gd+3]"]
["175671265","[78Y]"]
["60043177","[97Tc]"]
["175672124","[167Ir]"]
["193785846","C[20C]#N"]
["175672120","[167Ta]"]
["175671677","[125Ce]"]
["96791376","P=C1C(=P)C1=P"]
["175672035","[160Pm]"]
["56366683","[2H][CH-][2H].[K+]"]
["175095827","[2H][CH-][2H].[Zn]"]
["97273886","[C+]1C[C+]C1"]
["175671364","[91Nb]"]
["78322189","[133Ne]"]
["25460806","CC1(C)C(C)(C)C1(C)C"]
["1101115","[K-]"]
["192907652","CC1(C)C(C)(C)C1(C)C.[B]"]
["50019081","CC1(C)C(C)(C)C1(C)C.F"]
["79583173","[5C]"]
["26357460","C#[N+][N-]"]
["96910866","C#[N+][N-].[Li+]"]
["99399845","C#[N+][N-].[Pb]"]
["101787763","[149Au]"]
["59182544","[CH+]=C(C)C"]
["196502636","[CH+][B-](=[CH+])[CH-]"]
["175672428","[212At]"]
["56268294","Br[Si](Br)Br"]
["200328792","[O-][Si]([O-])[O-]"]
["83059398","N[Si](N)Cl"]
["46102076","C=C[AsH2]"]
["79095583","[N]=[O+][NH-]"]
["91028127","Br[Si](Br)=[Si](Br)Br"]
["91020632","S=[Si](Cl)Cl"]
["91160106","S[Si](S)S"]
["91578533","N[Si](=O)S"]
["14228659","Br[Si](Br)Br.Br[Si](Br)Br"]
["53779874","Cl[Si](Cl)Br"]
["78994281","[25SH2]"]
["79511349","O=[Ge]([O-])F.O=[Ge]([O-])F.[Ba+2]"]
["91317208","[CH+]=CN"]
["78293675","O=[Ge]([O-])F.O=[Ge]([O-])F.[Mn+2]"]
["97865357","[C-]C=C"]
["79383774","O=[Ge]([O-])F.O=[Ge]([O-])F.[Mg+2]"]
["32063555","[175Hf]"]
["33648742","[O-][N+]([O-])=S"]
["175822557","[B-]F.[Li+].[Li+]"]
["46514408","C=[N+]([O-])[O-]"]
["58419071","[B-]F.[Pb]"]
["45060724","[B-]F"]
["78253678","Br.Cl[P]Cl"]
["91391474","ClP=[Cl+]"]
["57534208","C=C[CH2+]"]
["175671637","[121Cs]"]
["100927953","[SiH2]=C=PCl"]
["84203249","[B-]F.[Li+]"]
["1101945","[Cs-]"]
["79063814","[2H][CH][2H]"]
["79940568","[103Ni]"]
["42236409","CB=O"]
["33878736","[In-].[Li+]"]
["174254800","[16CH4]"]
["175671832","[140Gd]"]
["174254799","C.[16CH4]"]
["79924827","[110Rh]"]
["34196790","[43Sc]"]
["175672125","[168Eu]"]
["57870610","C#[As]"]
["78533672","C1S23#S1(C2)C3"]
["52967188","IPI"]
["79843329","[253W]"]
["175671032","[42Ar]"]
["157543354","O[Si](O)(O)Cl.O[Si](O)(O)Cl"]
["78750374","C[Si](C)(C)Cl.C[Si](C)(C)Cl"]
["929413","C[Si](C)(C)Cl"]
["32411182","O[Si](O)(O)Cl"]
["23845008","C[Si](C)(Cl)Cl"]
["172490139","C[Si](C)(Cl)Cl.C[Si](C)(Cl)Cl"]
["179626980","[O-][Si]([O-])([O-])Cl"]
["78116553","O[Si](O)(Cl)Cl"]
["175671617","[119Cs]"]
["79320381","[OH-].[Th+]"]
["79086840","[F-].[Th+]"]
["79087099","[I-].[Th+]"]
["53040807","O[At]"]
["79087261","[Cl-].[Th+]"]
["96740141","[CH2+][P]"]
["79372676","[O]F.[Ti]"]
["79182900","[O]F.[Si]"]
["79031303","[Br-].[Th+]"]
["1104159","[O]F"]
["175670995","[36Si]"]
["174644896","[36SiH4]"]
["173388031","N=[SiH-]"]
["48570564","Cl[B]Cl.[Re]"]
["79015314","Cl[B]Cl.[H-]"]
["101726446","[F+]=[SiH-]"]
["173001476","Cl[B]Cl.[HH]"]
["33048178","Cl[B]Cl"]
["1097073","Cl[Cl+]"]
["173388030","N=[SiH-].[Li+]"]
["102920364","C=C=[SiH-]"]
["167340114","Cl[B]Cl.Cl[B]Cl"]
["79193014","[73Ar]"]
["96785631","[Cl-].[Cl-].[Pm+2]"]
["97789849","[Br-].[Br-].[Pm+2]"]
["96564865","[F-].[F-].[Pm+2]"]
["175671309","[84Ge]"]
["79377841","[N-]Cl.[N-]Cl.[Zr+4]"]
["78309500","[N-]Cl.[PH4+].[PH4+]"]
["79445450","[161Au]"]
["101304451","[CH2+]S"]
["27245464","[123IH]"]
["79661692","[BH2+].[Re-]"]
["145521173","[229Au]"]
["79835214","[58C]"]
["97732406","c1c[pH][pH]1"]
["191969465","[Mt].[Mt]"]
["42916053","ClCCl.[Cl-].[Ti+4]"]
["79371502","ClCCl.N"]
["193880054","ClCCl.ClCCl.[Cl-]"]
["174885769","ClCCl.[Cr]"]
["32654728","[B+]=C[15O-]"]
["172840711","Cl.ClCCl.ClCCl"]
["174926768","ClCCl.F.[Ru]"]
["24409702","Cl[13CH2]Cl"]
["193125810","ClCCl.[H-]"]
["79889332","Cl.ClCCl.N"]
["193670943","ClCCl.[I-]"]
["79373081","[263Pb]"]
["64374405","[3H]I([3H])[3H]"]
["188049741","[Au].[Gd+].[I-]"]
["78168367","[F-].[Gd+].[O]"]
["78681391","[Gd+].[OH-]"]
["79829431","[Cl-].[Gd+].[O]"]
["79293811","[Cl-].[Gd+].[Gd]"]
["79209359","[F-].[Gd+]"]
["45875099","[Gd+].[OH-].[O]"]
["79434921","O.[Cl-].[Gd+]"]
["78104136","[Gd+].[NH2-]"]
["78595379","[Gd+].[O-]O"]
["175671632","[121Pd]"]
["175671644","[122Pd]"]
["175434960","[Co].[SeH][SeH2+]"]
["174995312","[SeH][SeH2+]"]
["79681105","[118Si]"]
["100850402","C[SeH2+]"]
["192506177","C[SeH2+].N"]
["194284768","[Na+].[Na+].[O-][AsH]([O-])=S"]
["82271366","[6CH4]"]
["175671621","[120Rh]"]
["170559955","[S-][SeH]"]
["175671369","[91Pd]"]
["46669063","p1ppppp1"]
["168514200","[CH2+]C(=[Si-])C([CH2+])=[Si-]"]
["175111801","N#C[SiH](C#N)C#N"]
["32617433","[241Am+3]"]
["1096513","[36S]"]
["79367952","[1SH2]"]
["27307347","[62Cu]"]
["197125274","C[As+](C)C.[CH3-]"]
["50586351","C[As+](C)C"]
["174609044","[114Xe]"]
["171437415","C[B-]C.[Na+]"]
["42574409","F[B-]F.[Li+]"]
["34215451","C[B-]C.[Li+]"]
["42454913","N[As]"]
["65628095","F[B-]F.[Na+]"]
["65142250","C[B-]C.[Rf].[Rh]"]
["58826965","F[B-]F.[K+]"]
["66253663","C[B-]C"]
["45872691","F[B-]F"]
["79430933","[103Cr]"]
["65567349","[2H]N=N[2H]"]
["48467192","N1=NN=N1"]
["156365244","[124SH2]"]
["1096416","[204Po]"]
["25658583","[2H][C][2H]"]
["175671329","[86Se]"]
["161609973","C#[N+]F"]
["175671179","[67Mn]"]
["175672547","[236Cm]"]
["96606424","C=[C][CH2+]"]
["78424809","C[N+](C)(C)P"]
["174841632","[23NH3]"]
["79020394","[Fe+2].[Li+].[O-][Si]([O-])([O-])O"]
["173414726","N.[Al+3].[O-][Si]([O-])([O-])O"]
["44408128","Cl.Cl.N/C=C/N"]
["78957898","[Cs+].[O-][SiH3]"]
["79411795","[Li+].[Mg+2].[O-][Si]([O-])([O-])O"]
["172752650","Cl.N/C=C\\N"]
["44006834","N/C=C/N"]
["46888397","[K+].[O]P[F+]"]
["79872619","[O-][SiH3].[PH4+]"]
["175747704","[Ca+2].[ClH2+].[O-][Si]([O-])([O-])O"]
["193950382","[O-][Si]([O-])([O-])O.[Y+3]"]
["1105848","[Ge-4]"]
["160430560","[Cu+].[O-][I+]O"]
["171750280","[Ca+2].[O-][I+]O.[O-][I+]O"]
["193416943","[Cu+2].[O-][I+]O.[O-][I+]O"]
["167340197","O.O.[O-][I+]O"]
["172794357","Cl.[O-][I+]O"]
["175980898","[IH2+].[O-][I+]O"]
["192425350","[Mg+2].[O-][I+]O.[O-][I+]O"]
["161921863","[Ag+].[O-][I+]O"]
["195736589","[Cl-].[O-][I+]O"]
["190230792","[Cs+].[O-][I+]O"]
["176767706","[Ba+2].[O-][I+]O.[O-][I+]O"]
["79151646","[163Pt]"]
["46802001","ClS(Cl)(Cl)Cl"]
["161272989","ClS(Cl)(Cl)S(Cl)(Cl)Cl"]
["175671841","[141Tb]"]
["79654245","[109B]"]
["62067259","[SiH3]P([SiH3])[SiH3]"]
["26376864","[C]CO"]
["175334100","C[TeH2+]"]
["47730020","[116In]"]
["79339699","[SiH3-]=[GeH+]"]
["79476789","[51Ar]"]
["175672514","[230Ac]"]
["175671524","[110I]"]
["179626173","N#[N+]Br"]
["171688745","NC(N)(N)[As]"]
["175671191","[68Se]"]
["79250888","Cl.[C-]=[F+]"]
["103006400","[PH2+]=CC=[PH2+]"]
["78613862","[Al].[C-]=[F+]"]
["78767636","F.[C-]=[F+]"]
["79589748","[C-]=[F+].[Na+]"]
["79437106","[C-]=[F+].[He].[O]"]
["79486274","[C-]=[F+].[P]"]
["79480161","[C-]=[F+].[N].[O]"]
["79327876","[C-]=[F+].[H-]"]
["79364044","O.[C-]=[F+]"]
["79127426","I.[C-]=[F+]"]
["175671522","[110Tc]"]
["32524927","[91Y]"]
["175672408","[208Th]"]
["175672542","[235Cm]"]
["175671581","[116I]"]
["43237336","[223Ac]"]
["97325906","C#[N+][CH2]"]
["78279798","[TeH]S[TeH]"]
["175672313","[192Re]"]
["1097008","[14C]"]
["101116636","FC(F)(F)[GeH]"]
["76897446","I[I]I"]
["78529062","N#S[O]"]
["78994297","[132Pb]"]
["175672563","[241Cf]"]
["32398465","O=[35S](=O)([O-])[O-]"]
["79875800","[132Pb].[Al]"]
["163956820","O=[35S](=O)([O-])[O-].[Na+].[Na+]"]
["163563386","[164Er]"]
["27303697","[82Sr+2]"]
["27305196","[82Sr+2].[Cl-].[Cl-]"]
["79911987","[B+2].[OH-].[OH-]"]
["175672139","[169Tb]"]
["175671809","[138Sm]"]
["168486119","[Si]12=[Si]3[Si]1=[Si]23"]
["97640368","[C+]=CCl"]
["175671130","[59Mn]"]
["170679935","N1=[Se+]N=[Se+]1"]
["145349465","[14Pd].[Au]"]
["81670781","C[S].[W]"]
["46948914","C[S]"]
["79477386","C[S].Cl"]
["175672383","[204Ra]"]
["97431648","[2H][18O][13CH3]"]
["96759282","[Am+].[Cl-].[O]"]
["83239149","[89Sr].[H].[H]"]
["97472879","[2H][18O]C"]
["83155608","Cl[At]"]
["79540222","[Am+].[Cl-]"]
["27304589","[89Sr]"]
["69543542","Cl[211At]"]
["79178803","[19C]"]
["172893029","F[IH]I.[V]"]
["175672280","[187Au]"]
["143573","F[IH]I"]
["79523773","[152Co]"]
["1104794","FN(F)Cl"]
["90985839","O1[As]=[As]1"]
["175671475","[105Sr]"]
["191525923","O=[As]([O-])([O-])[O-].[OH-]"]
["67571321","O=[As]([O-])([O-])[O-].[Ca+2].[Na+]"]
["177583304","O=[As]([O-])([O-])[O-].[Ru+3]"]
["177583577","O=[As]([O-])([O-])[O-].[Nd+3]"]
["173858215","O=[As]([O-])([O-])[O-].[Re]"]
["43346747","O=[As]([O-])([O-])[O-].[Li+].[Mg+2]"]
["79471119","O=[As]([O-])([O-])[O-].[Ag+3]"]
["174937984","O=[As]([O-])([O-])[O-].[Cs+].[Sr+2]"]
["59835377","O=[As]([O-])([O-])[O-].[Cu]"]
["101723575","O=[As]([O-])([O-])[O-].[Ba+2]"]
["101724952","O=[As]([O-])([O-])[O-].[Cr].[Cu+]"]
["1101481","[ClH2+]"]
["172852544","N.[ClH2+].[Cu+2]"]
["172768788","[ClH2+].[Zn+2]"]
["20193638","F.[ClH2+].[F-]"]
["191034864","C.[ClH2+].[F-]"]
["194103331","[ClH2+].[Cu+]"]
["192104262","[ClH2+].[O-2].[Zn+2]"]
["172761252","[ClH2+].[Ru+3]"]
["191359636","[ClH2+].[O-]Br"]
["195526942","F.[Br-].[ClH2+]"]
["157588259","[ClH2+].[Ta+5]"]
["190726821","[ClH2+].[Sn+4]"]
["27304759","[53Mn]"]
["62871244","N[B]P"]
["79021106","N#C[PH]"]
["163941490","C=P[S].[Sn]"]
["48505552","[174Ta]"]
["177583530","[TeH]OO[TeH]"]
["185009741","[SiH3]OP"]
["173418668","I.[SiH3]OP"]
["78307438","[SiH3]OP.[V]"]
["59892123","[175Ta]"]
["96851758","O=P([SiH3])([SiH3])[SiH3]"]
["175672401","[207Ac]"]
["22813184","ClSCl"]
["170617234","ClSCl.ClSCl"]
["43211873","[144Sm]"]
["174427942","[125Pd]"]
["78504241","[CH2]S.[CH3].[Ta]"]
["78238629","[CH2]S.[H].[Pb]"]
["99685536","[CH2]S.[Pb]"]
["173211784","[CH2]S.[H].[Sn]"]
["91239828","[CH2]S.[Hg]"]
["79335217","[CH2]S.[Cu]"]
["103007458","[CH2]S.[HH].[Hg]"]
["79495836","[CH2]S.[Sn]"]
["51401658","[CH2]S"]
["76461543","[198Bi]"]
["34286460","[165Tm]"]
["79602835","[NH][NH-].[Pd+]"]
["79271509","[11Ru]"]
["166672445","[GeH4+4].[O-2].[O-2]"]
["102926122","[S+]=C(S)C(=[S+])S"]
["175671407","[97Kr]"]
["43382037","N[B]Cl"]
["42184179","[185Ta]"]
["175671052","[45Cr]"]
["91431866","[Co].[Fe].[N]=O"]
["91377251","C.[Cr].[N]=O"]
["79144294","[Cu].[N]=O"]
["91186088","[Fe].[Hf].[N]=O"]
["79035478","[N].[N]=O"]
["91446532","[Al].[Fe].[N]=O"]
["79546557","[Cr].[N]=O"]
["91167710","[Li+].[N]=O.[Nb]"]
["91353144","[Al].[Hf].[N]=O"]
["79329539","[N]=O.[W]"]
["79091294","[N]=O.[Zr]"]
["79729868","[233Pb]"]
["178072858","C#[14CH]"]
["1096974","[O-]"]
["15251584","[In].[O-].[O]"]
["79464792","[Au].[Na+].[O-]"]
["175742650","[Ce].[O-].[O]"]
["169716445","[Al+2].[O-].[OH-]"]
["156289245","O.[Li+].[O-]"]
["45262407","[Fe].[O-].[O]"]
["49236261","[Co].[O-].[O]"]
["63826954","[O-].[O].[V]"]
["78651252","[Na+].[Ni].[O-]"]
["79031407","[O-].[O-].[Ti+2]"]
["15439832","[Ga].[O-].[O]"]
["67425089","[239Np]"]
["27308667","I[Te](I)(I)#I"]
["79872714","[191Pb]"]
["147767734","[5NH3]"]
["61404066","[S][SeH]"]
["166678348","[205Dy]"]
["53256142","P[P-]P"]
["97380467","[CH2][P-]O"]
["79713727","[SiH2]C(Cl)Cl"]
["175672691","[268Hs]"]
["173420500","ClC(Cl)[Se]"]
["26145368","BNB"]
["101799088","BNB.N"]
["78265475","[140Zr]"]
["27305212","[58Fe+2]"]
["188803361","NC=PP"]
["68902289","[25FH]"]
["32813167","[225Ac+3]"]
["173834360","N=N.[H-].[Li+]"]
["79149649","[23Cd]"]
["172695321","N=N.NCl"]
["53237397","N=N.[Fe]"]
["174832606","N=N.[H-].[K+]"]
["54797429","N=N.[Ni]"]
["100441002","N=N.N=N.[Mn]"]
["78356653","N=N.S.[Ag]"]
["78356656","N=N.[Ag].[S]"]
["175399496","N=N.[Ru]"]
["172314466","Cl.Cl.N=N"]
["78622495","[87SH2]"]
["78331766","NN=P"]
["174782590","C[PH3+].[H-].[Na+]"]
["57776660","C=[N+]=N"]
["192797299","C.C[PH3+].P"]
["79462292","C=[N+]=N.Cl"]
["47218599","C[PH3+]"]
["194269716","C[PH3+].[PH4+]"]
["79656471","C=[N+]=N.S"]
["172822731","C[PH3+].Cl.Cl"]
["171189149","C[PH3+].[BH4-]"]
["194298289","C=[N+]=N.C=[N+]=N.[H+]"]
["79955936","[52C]"]
["175671310","[84As]"]
["175672450","[215Th]"]
["44452399","S[As]"]
["99176581","[168Pt]"]
["174472840","[TeH]C[TeH]"]
["192820629","N=[S+]N"]
["42655374","ClC1=C(Cl)C1"]
["172750257","N=[S+][SiH3]"]
["175672394","[206Fr]"]
["1098291","[Mo+5]"]
["175671506","[108Rh]"]
["79587292","[3H][Si]([3H])[3H]"]
["65500305","NC(N)(N)F"]
["175671460","[103Sr]"]
["51228028","[180Re]"]
["175671790","[136I]"]
["175671151","[62Ge]"]
["175672250","[182Au]"]
["175672012","[158Pm]"]
["50013564","[89Nb]"]
["81835081","[40Fe]"]
["78205162","[125Ni]"]
["48717990","N=[P+](I)I"]
["175671548","[113Pd]"]
["68220361","C=[17O]"]
["33745971","[Sb+]"]
["79385522","[O-2].[Sb+].[Sb+]"]
["79890389","[Cl-].[Cl-].[SiH4-][S+3]"]
["171885755","[CH-]=N.[Zn]"]
["199880688","[CH-]=N.[CH-]=N.[Cu+2]"]
["193480867","[Br-].[O].[Sb+]"]
["193109562","O.[O].[Sb+]"]
["97588312","ClC=[Se]"]
["66645537","[I-].[Sb+]"]
["49570213","[Sb+].[SeH]"]
["172273377","[CH-]=N.[Cu+]"]
["174935090","C[S-].[Sb+]"]
["27309442","[200Tl]"]
["54218206","FC(F)(F)[As].[I-].[I-]"]
["79949724","FC(F)(F)[As].I.I"]
["175671286","[81As]"]
["97227625","[C-]C(F)(F)F"]
["49243127","FC(F)(F)[As]"]
["61421388","FC(F)(F)[Ge]"]
["79098026","FC(F)(F)[P]"]
["96858805","[C+]C(F)(F)F"]
["78314454","FC(F)(F)[Te]"]
["79638002","O=C([SeH])[SeH]"]
["79507082","[102Co]"]
["174381416","ClC(Cl)[TeH]"]
["100358333","[15Ni]"]
["175672007","[157Ta]"]
["172897866","[2H][N]F"]
["175671736","[131Ce]"]
["175672706","[274Mt]"]
["69779423","I[At]"]
["33273841","I[211At]"]
["78197535","[195In]"]
["50073027","C=N[O-]"]
["79043950","[139Pb]"]
["79214994","[Se]I"]
["101724120","[Bi].[O].[Se]I"]
["164168673","I[SH]1C[SH](I)C1"]
["174751311","[Mo].[Se]I.[Zn]"]
["185008480","[N-]=[SiH2]"]
["175671253","[77Ga]"]
["33375343","[CH]=C.[CH]=C.[Mg+2]"]
["78978016","OC[P]"]
["79250163","Cl.[CH]=C.[Eu]"]
["100855686","[CH]=C.[H].[Mg+2]"]
["183882789","[CH]=C.[O].[Sb]"]
["79816790","[CH]=C.[Mo]"]
["99592358","[Bi].[CH]=C.[H]"]
["79947597","O.[CH]=C.[Cu]"]
["78603679","[CH]=C.[Zn]"]
["79448045","[CH]=C.[CH]=C.[Pt]"]
["175793265","N[O-].N[O-].[Fe+2]"]
["79245500","[221Pb]"]
["175671335","[87As]"]
["46036020","[2H][Si]([2H])[2H]"]
["185021520","C#C[121I]"]
["174534565","S[TeH].[Cd]"]
["173130177","[2H][OH+][2H].[Na+]"]
["78279803","S[TeH]"]
["47695373","[2H][OH2+].[K+]"]
["44026522","O[PH+](O)F"]
["78311888","[2H][OH2+]"]
["1105031","[B+]=[B+]"]
["24396246","[B+]=[B+].[Ti-2]"]
["175671128","[59V]"]
["33114936","C[Se-].[Li+]"]
["65809090","C[Se-]"]
["161781245","C[Se-].[K+]"]
["167232941","C[Se-].[Mg+2]"]
["34197785","C[Se-].[Na+]"]
["33821457","CP(C)P(C)C"]
["185383891","O[Si-].[Na+]"]
["79829241","BP(C)C"]
["79212393","CP(C)[S]"]
["33273666","C[Se-].C[Se-].[Zn+2]"]
["167232940","C[Se-].[Br-].[Mg+2]"]
["1097056","[Ba+]"]
["191697244","F.FCF"]
["194362754","Br.Cl.FCF"]
["175711586","[Ba+].[Ca+2].[H-]"]
["174281155","F.FCF.O"]
["186188167","[Ba+].[H].[OH-]"]
["79458220","[Ba+].[OH-].[Y]"]
["79709365","[Ba+].[Ba].[OH-]"]
["175023758","FCF.[H-].[Li+]"]
["190252018","Cl.FCF"]
["191077451","FCF.[F-].[F-]"]
["63295388","FCF.[K+]"]
["175671124","[58Cr]"]
["79729799","[218Pb]"]
["190079682","[2H][Si]([2H])([2H])Cl"]
["79325136","O[PH+](O)O.O[PH+](O)O.[Rh-2]"]
["172752614","[2H][SiH2]Cl"]
["34548656","[139Ce]"]
["43141277","NC1C(N)C1N"]
["175671300","[83Ge]"]
["25904715","[CH-]=[N+]=C"]
["45319068","[CH-]=[N+]=C.[W]"]
["148714861","[162Au]"]
["51197676","[CH-]=[N+]=[CH-]"]
["155711998","[P-]=[IH]"]
["175671361","[91Br]"]
["175672128","[168Dy]"]
["175672429","[212Rn]"]
["175671002","[37Si]"]
["175671083","[51Co]"]
["61045487","[27Mg+2]"]
["50171127","Br[Se+](Br)Br"]
["62944137","F[Se+](F)F"]
["83215267","[27Mg+2].[H].[H]"]
["175672336","[196At]"]
["47085850","N=[14C]=N"]
["175671334","[87Ge]"]
["78110330","[112C]"]
["1104147","F[F+]"]
["100709179","[158Au]"]
["175671821","[139Tb]"]
["56419613","[51Fe]"]
["78712051","[CH]=O.[Na+]"]
["97152615","[13CH]=O"]
["78127365","[CH]=O.[Cr]"]
["79757917","C[Si](C)(C)C.[Ti]"]
["79886468","[CH]=O.[Os]"]
["174515665","[Al+2].[CH]=O"]
["78252953","[Au].[CH]=O"]
["193735418","C[Si](C)(C)C.[Br-]"]
["79884565","[CH]=O.[H].[Ru]"]
["62455752","C[Si](C)(C)C.[Ti+2]"]
["79719251","[CH]=O.[CH]=O.[Ti]"]
["163563395","[170Yb]"]
["68806763","S=C=C=S"]
["174822455","O[SiH2-]"]
["78309639","[164Pb]"]
["79302334","[153Pb]"]
["172767222","FCl.I"]
["50832218","FCl.[Zn+2]"]
["173428026","FCl.[H-].[Na+]"]
["79554851","FCl.[S]"]
["79831769","FCl.[Cr]"]
["191873017","F.FCl"]
["79071277","FCl.[Al]"]
["64397063","[171Yb]"]
["48958237","FCl.[Ba+2].[Br-]"]
["160037939","[18F]Cl"]
["56758259","FCl.[Ba+2]"]
["59123178","[143Cs]"]
["58942022","S=[SH+]"]
["175671801","[137Sm]"]
["78715461","[Cl-].[Ho+].[O]"]
["1104898","S=[S+]"]
["170679181","[C-]#[S+].[I-].[Mn+]"]
["191158213","[Cl-].[Cl-].[Si+]#[S+]"]
["91354076","[Ag].[C-]#[S+]"]
["79779607","[C-]#[S+].[Pt]"]
["190371465","[Br-].[C-]#[S+].[Ru+]"]
["78350244","[S+]=[Te]"]
["191147056","[Si+]#[S+]"]
["171346775","[C-]#[S+].[Co]"]
["78595401","[Ho+].[O-]O"]
["27307511","[252Cf]"]
["53565361","FP.[U]"]
["173787531","FP.[H-].[Li+]"]
["171418329","FP.[Ho]"]
["185389025","FP.[Ni]"]
["56970530","[252Cf].[Cl-]"]
["100686755","FP.[Na+]"]
["173584378","FP.[H-].[Na+]"]
["54413765","FP.[Au]"]
["81458795","FP.P.[V]"]
["176040941","FP.[Fe].[Mn]"]
["174616380","FP.O"]
["79588191","[130C]"]
["49147498","O=[Xe](=O)(F)F"]
["32345446","[68Ge]"]
["175672175","[172Au]"]
["175671883","[146I]"]
["175672154","[170Re]"]
["175671569","[115Pd]"]
["175671322","[85Y]"]
["58876069","[AsH-][AsH4].[Fe+]"]
["42313721","[201Bi]"]
["175524033","[GeH4].[TeH]SS[TeH]"]
["175524034","[TeH]SS[TeH]"]
["33570900","[170Tm]"]
["62359148","[209Tl]"]
["175237899","N[Te]I"]
["60189308","[2H][P]C"]
["22735074","I[Te]I"]
["32813128","[72As]"]
["48178015","[P]P"]
["175671582","[116Xe]"]
["79596821","[127Ar]"]
["179722636","[CH2].[CH]N.[U]"]
["50822373","[CH]N.[Pt]"]
["78572000","[Au].[CH]N"]
["189909760","[CH]N.[Cr]"]
["78443415","[CH]N.[Ru]"]
["194425190","[CH]N.[V].[W]"]
["57064540","[CH]N"]
["51115436","[CH]N.[W]"]
["195976369","[CH]N.[Zn]"]
["32990624","[243Cm]"]
["184848941","[CH]N.[Rh]"]
["175671720","[129Sm]"]
["175671147","[62V]"]
["175672105","[166Sm]"]
["100858165","[13CH]#[13C][XeH]"]
["79710048","[128S]"]
["100856395","C#C[XeH]"]
["78279374","[166Pt]"]
["96661520","[C-]1=[C-]C12[C-]=[C-]2"]
["79328975","[F-].[F-].[Nd+2]"]
["22889014","[I-].[I-].[Nd+2]"]
["100423219","[Er+4].[O-2].[O-2]"]
["145465719","[F-].[Nd+2].[OH-]"]
["79483275","[Nd+2].[O-2]"]
["79453280","[Cl-].[Cl-].[Nd+2]"]
["78957442","[110Pb]"]
["848901","[Na+].[O-]Cl"]
["200580867","[Cl-].[O-]Cl"]
["79094660","[O-]Cl.[O-]Cl.[Sr+2]"]
["67431446","[O-]Cl.[Sb]"]
["78312311","[Fe].[O-]Cl"]
["78569522","[Ca+2].[H+].[O-]Cl"]
["79700561","[O-]Cl.[OH-].[Zr]"]
["190661061","[Br-].[O-]Cl"]
["79189899","[Fe+2].[O-]Cl.[O-]Cl"]
["78104963","[Mg+2].[O-]Cl.[OH-]"]
["154696721","[Ba+2].[Cl-].[O-]Cl"]
["34078556","[177Lu+3]"]
["79147225","[C]#P"]
["91238760","N[Si]#[Si]N"]
["91119290","[C]#P.[Sn]"]
["78519514","[28SH2]"]
["26778697","[O]C([O])Cl"]
["91119380","[C]#P.[Pb]"]
["33273748","[171Er]"]
["163968386","Cl/[14CH]=[14CH]\\Cl"]
["57630362","NOCl"]
["58793770","ClOI"]
["32777521","[177Ta]"]
["56303683","[B+]=[PH2]C"]
["61754207","CC(C)=[Te]"]
["175670912","[22N]"]
["97034931","[B+]C=C"]
["174558479","NN=[SiH2]"]
["59264826","[78Ge]"]
["91404171","P12P3P4P1P1P2P3P41"]
["175671266","[79Ni]"]
["81917809","[162Pt]"]
["175671333","[87Ga]"]
["26023201","CS(C)(C)C"]
["78155171","[38Co]"]
["63617782","[213Pb]"]
["53957191","C12C3C1[Si]23"]
["161551104","[2CH4]"]
["97204233","C[Si+][SiH3]"]
["175671662","[124Rh]"]
["79056204","[8N]"]
["101303365","C=C[GeH2+]"]
["57551760","[122IH]"]
["172048531","[N]C#N.[Pt]"]
["166251282","[N]C#N.[Zn]"]
["172048377","[C-]#N.[N]C#N.[Pd]"]
["172048565","[C-]#N.[N]C#N.[Pt]"]
["65645437","[N]C#[As]"]
["55663949","[N]C#N.[Pb]"]
["26255435","[N]C#N"]
["172048270","[N]C#N.[Pd]"]
["23648852","[Ca+2].[N]C#N"]
["97746440","[Hg].[Hg].[N]C#N"]
["175672432","[212Th]"]
["175670919","[23O]"]
["1100266","C#[N+][Se-]"]
["79608845","C[Si](C)(C)[S]"]
["175671754","[133In]"]
["175671817","[139Pm]"]
["175671541","[112Te]"]
["56736432","[17OH]"]
["175394433","N[SiH2].[Fe]"]
["150678555","N#[14C][O-].[Na+]"]
["116260161","N#[14C]N"]
["175672400","[207Ra]"]
["27305909","[85Sr]"]
["79385079","N[SiH2].[Li+]"]
["61387256","N[SiH2]"]
["27277482","[85Sr].[H].[H]"]
["175671201","[70Fe]"]
["97160194","[2H][13C]([2H])=[13C]([2H])[2H]"]
["185008623","[2H][Ge][2H]"]
["25574291","[2H]C([2H])=C([2H])[2H]"]
["175671088","[52Co]"]
["79933590","O[PH+](O)O.[Ru-]"]
["61504323","[136Cs]"]
["79314119","OP.[Cu]"]
["54764317","OP.[Li+]"]
["175125510","OP.[Ag].[Ti]"]
["193479224","O.OP"]
["79296195","OP.[Ca+2]"]
["185321453","[2H][As](C)C"]
["190703945","OP.[Fe].[Li+]"]
["79782245","OP.[Co]"]
["65155441","OP.[CH3-].[U]"]
["78209145","OP.[Pd]"]
["52399156","OP.[W]"]
["175671579","[116Pd]"]
["23613429","[GeH2]=[Se]"]
["175070284","N.[GeH2]=[Se]"]
["82254225","[Ag].[GeH2]=[Se]"]
["174844111","O.[GeH2]=[Se]"]
["174248294","C[At]C"]
["167452945","[Cu].[GeH2]=[Se]"]
["175671202","[70Ni]"]
["175671326","[86Ga]"]
["175671166","[65Cr]"]
["33920622","[14CH2]=O"]
["175672370","[202Fr]"]
["78388634","C=[IH]"]
["46567332","[45K+]"]
["195113328","[45K+].[H-]"]
["79249560","[153Fe]"]
["1098100","[Be+]"]
["1101979","[Be+].[H]"]
["192602315","[NH-]Cl.[Na+]"]
["43904561","N=[Cl+]"]
["50462658","CC(C)=[Cl+]"]
["97816794","C=C=[N-].[Be+]"]
["101726442","[SiH2]=[Cl+]"]
["78202881","C[C](C)C.[Be+].[Cl-]"]
["91183944","S=[Ge](I)I"]
["32098501","C=C[Cl+]"]
["185009318","Br[Ge](Br)Br.[Mn]"]
["79735535","[Be+].[Cu].[OH-]"]
["175671882","[145Er]"]
["79195452","[113Pb]"]
["79930710","BCl.N"]
["79621801","BCl.BCl.S"]
["25188395","NC(Cl)(Cl)Cl"]
["79296219","BCl.[Mg+2]"]
["167254830","BCl.BCl"]
["66937800","BCl"]
["79621802","BCl.S"]
["78307026","BCl.[Cl-].[Li+]"]
["79643477","BCl.[Li+]"]
["79622613","BCl.O"]
["79833743","[183Pb]"]
["78412147","OI(O)(O)(O)O"]
["79794695","[76C-]=[F+]"]
["58455163","[176Yb]"]
["78085996","[As+2].[F-].[F-]"]
["79056849","[As+2].[S-2]"]
["79017043","On1oo1"]
["78256421","Cl[AsH2](Cl)Cl"]
["79572594","[157Pb]"]
["175671908","[148Dy]"]
["175672497","[227Rn]"]
["27307239","[75Br]"]
["25753568","[B+]=C=[N-]"]
["79844308","[110Ar]"]
["193274323","[Mo+4].[O-][NH+]([O-])[O-].[O-][NH+]([O-])[O-]"]
["78204868","[25Fe]"]
["79599370","[166Pb]"]
["34000504","[168Yb]"]
["175671186","[68Mn]"]
["175671336","[87Se]"]
["175671597","[118Tc]"]
["91148955","PCl.[Cu]"]
["194340196","N.PCl"]
["191772826","P.P.PCl"]
["174861629","PCl.[H-].[Na+]"]
["78903578","C.PCl"]
["175672620","[255Es]"]
["79747722","PCl.[Ni]"]
["24514646","PCl"]
["171842242","PCl.PCl.PCl"]
["191786557","PCl.[Au+]"]
["194357936","I.PCl"]
["79401262","[110Fe]"]
["78333419","N#[GeH]"]
["78621871","N#[GeH].[SiH4]"]
["164174074","[86AsH3]"]
["175672220","[178Os]"]
["44514738","[185Os]"]
["82267041","[157Pt+2].[Cl-].[Cl-]"]
["91248508","N=[As](N)(N)N"]
["175670978","[33Cl-]"]
["33970382","[Ru+6]"]
["190627687","[K+].[Ru+6]"]
["193470121","[Na+].[Ru+6]"]
["183323951","[CH3-].[Ru+6]"]
["79322284","[1S]"]
["172267141","C[Si](C)(C)O.C[Si](C)(C)O"]
["191972280","C[Si](C)(C)O.C[Si](C)(C)O.C[Si](C)(C)O"]
["78397641","BP(P)P"]
["22811287","C[Si](C)(C)O"]
["33395854","[113In+3]"]
["175671682","[126Ag]"]
["55319631","[147Gd]"]
["175671913","[149Ba]"]
["68737865","[3H]C[3H]"]
["190640615","C.[3H]C[3H]"]
["48848069","[193Au]"]
["175671221","[73Kr]"]
["83225742","[78SeH2]"]
["175672427","[212Tl]"]
["79798413","[124Fe]"]
["76728162","ClC(Cl)(Cl)[Ge]"]
["24424730","IC#CI"]
["172779298","NC(N)(N)[Ge]"]
["97391284","C=[C]I.[Li+]"]
["161850144","C=[C]I.[Sn]"]
["174768651","C#CI.C#CI"]
["26974724","C=[C]I"]
["175671037","[43Cl-]"]
["191641301","C#CI"]
["175672117","[167Tb]"]
["79909040","[35Ar]"]
["175671440","[100In]"]
["27308414","[75Se]"]
["175670984","[34P]"]
["54538727","C=C=[N-].[W]"]
["193815031","C=C=[N-].[Ca+2]"]
["173022350","[N-]=C=[SH+]"]
["47916193","C=C=[N-].[Rf]"]
["46925653","C=C=[N-].[Y]"]
["58586081","C=C=[N-]"]
["175104734","N.[Fe].[N-]=C=[SH+]"]
["79748810","C=C=[N-].[K+]"]
["84152155","C=C=[N-].[Cl-].[Mn+2]"]
["91652867","C=C=[N-].[Cs+]"]
["34677089","N.[N-]=C=[SH+]"]
["175672341","[197At]"]
["175671853","[142Ho]"]
["78558023","[Cd+2].[Hg].[TeH2-2]"]
["78368336","[103S]"]
["101498837","[TeH2-2].[TeH2-2].[W+4]"]
["100752373","[Cd].[Mn+2].[TeH2-2]"]
["175672683","[266Hs]"]
["175671382","[93Rh]"]
["175672436","[213Fr]"]
["100851966","[CH]=[CH+]"]
["79371369","[137Pb]"]
["161881838","C1P[Se]1"]
["177810692","[81CH4]"]
["58242243","[N]P.[V]"]
["79851737","O.[NH]Cl"]
["194602123","[Ag].[N]P"]
["99531504","[N]P.[Ti+2]"]
["26523207","[NH]Cl"]
["1098094","[207Po]"]
["83233184","[207Po].[H].[H]"]
["175670988","[35Mg+2]"]
["78962289","[4Cr]"]
["175672389","[205Ac]"]
["79808271","[110Au]"]
["97733540","[C+]#[N+][N-]"]
["175671912","[149Cs]"]
["79947040","F[BrH+].[Ba].[Cl-]"]
["189300739","[Nh]"]
["90942652","[PH3+]S"]
["175671301","[83As]"]
["175671563","[114Cs]"]
["78193282","[145Ar]"]
["175670915","[22Mg+2]"]
["186902681","BN.[H-].[Li+]"]
["101386912","BN.[H+]"]
["79147895","BN.[Sc]"]
["177215560","BN.F"]
["79933892","[BH2+].[Ni-].[Pd]"]
["79147841","BN.[Al].[Li+]"]
["78287712","[BH2+].[Cr].[Ni-]"]
["79883937","[BH2+].[Ni-].[SiH3]"]
["79409789","BN.[Al]"]
["62985580","BN"]
["79020243","[BH2+].[Ni-]"]
["79042110","[18P]"]
["69631233","I[PH+](I)I"]
["53613900","I[PH+](I)I.[K+]"]
["79144499","[124Ti]"]
["191333404","SCl.[Hg]"]
["78266489","SCl.[Sb]"]
["191402103","N.SCl"]
["79793395","SCl.[Ga].[Na+]"]
["175671313","[84Y]"]
["78978822","SCl.SCl.[Zn]"]
["79793229","SCl.[Al].[Li+]"]
["175034481","SCl.[H-].[Li+]"]
["194242613","SCl.SCl"]
["193568907","SCl.[Li+]"]
["200578834","P.SCl"]
["27306540","[Sb+5]"]
["175698705","Cl.Cl.II"]
["175902068","N.[F+]=[Si+]"]
["1103153","[Si+]#[Si-]"]
["174795273","II.[Au]"]
["79567876","I.II.[Li+]"]
["191843471","[K+].[Sb+5]"]
["162188266","[Sb+5].[V]"]
["175741756","Br.II"]
["91594446","[Si+]C([Si+])([Si+])[Si+]"]
["78956157","FF.II"]
["23069732","II.[I-].[K+]"]
["175671915","[149Ce]"]
["175671535","[112Nb]"]
["78096500","[O]N[O].[Pd].[Pd]"]
["46713475","[CH3-].[Na+].[O]N[O]"]
["78209122","[O]N[O].[Ru]"]
["177583645","[Nd].[O]N[O]"]
["193035571","[Cl-].[Na+].[O]N[O]"]
["175848679","[I-].[Na+].[O]N[O]"]
["190998994","[Ca+2].[Cl-].[O]N[O]"]
["78073701","[Li+].[O]N[O]"]
["164054225","[GeH4].[O]N[O]"]
["79565354","[O]N[O].[Pt]"]
["103046268","Cl.[O]N[O]"]
["79804171","[53Ar]"]
["175671602","[118In]"]
["66675290","[AsH2]"]
["91190240","[CH2+]C#N"]
["174703029","[AsH2].[Mo]"]
["174313792","[112Zr]"]
["195328688","[AsH2].[Zn]"]
["195366680","[AsH2].[Bi]"]
["13736787","C[B]C.[H-].[Li+]"]
["174653066","C[B]C.F.F"]
["66138659","C[B]C.C[B]C.[U]"]
["176307920","CB=[Se]"]
["173498851","C[B]C.[Re]"]
["50265161","C[B]C.[Rf].[Rh]"]
["78120233","[130Ar]"]
["91338986","C#[P-](C)(C)C.[Br-].[Mg+2]"]
["55285403","[242Cm]"]
["91338981","C#[P-](C)(C)C.[CH3-].[Mg+2]"]
["79950325","[78Ar]"]
["170205466","[Si-]#[Si-].[Ta+2]"]
["23296524","[Si-]#[Si-].[Ti+2]"]
["23053830","[La+2].[Si-]#[Si-]"]
["163961545","O[Te](O)(O)(O)(O)O.[Al].[Al]"]
["176941342","[Si-]#[Si-].[V+2]"]
["22998955","[Nb+2].[Si-]#[Si-]"]
["176941301","[Mn+2].[Si-]#[Si-]"]
["1101680","[Si-]#[Si-]"]
["168077932","[Si-]#[Si-].[Zr+2]"]
["200344389","[3H][PH3+]"]
["23178158","[Ca+2].[Si-]#[Si-]"]
["78140773","[98Ni]"]
["54414399","[N-]=C(P)P.[V]"]
["60916876","[F+]=[Si]=[F+]"]
["78250670","[55Co].[Sm]"]
["27306189","[55Co]"]
["79354236","[115Cr]"]
["79301771","[Br-].[Cr+]"]
["33503373","[Cr+].[OH-].[O]"]
["78125563","[Cl-].[Cr+].[O]"]
["78426169","[Cl-].[Cr+]"]
["78151837","O=[P-].[Cr+]"]
["78717147","O.[Cr+].[I-]"]
["79252889","[Cr+].[OH-].[Ti]"]
["148964588","[Cr+].[NH2-].[O]"]
["78433338","[CH2][O-].[CH3].[Cr+]"]
["79301659","[Cr+].[I-]"]
["79528985","[Cr+].[OH-]"]
["78110176","[1Mo]"]
["25890523","[N]C(Cl)Cl"]
["78602072","[P]=[Se].[Pb]"]
["78602127","[GeH4].[P]=[Se]"]
["1104782","[Se]=C([SeH])[SeH]"]
["46839425","[P]=[Se]"]
["175671887","[146La]"]
["175672242","[181Lu]"]
["175671109","[55Zn]"]
["79305539","Cl[Te]"]
["24969386","[CH2+]C[NH-]"]
["175671764","[134Cd]"]
["32413471","[35SH2]"]
["97651325","[B+]S"]
["60019787","[194Au]"]
["175671205","[70Kr]"]
["79294047","[42SH2]"]
["195627633","[AsH2]I"]
["97295285","C#[Xe]"]
["97561598","[CH+]=C=[As]"]
["43349971","[CH+]=C=[Si-]"]
["91024071","[CH+]=C=S"]
["168899273","[ClH+2].[Cu].[Cu]"]
["97434353","O1[SiH2][SiH2]1"]
["67405839","O1[SiH2][SiH2][SiH2]1"]
["61961616","[101Pd]"]
["175671030","[42S]"]
["174799812","[110Zr]"]
["60188427","[2H][13C]([2H])([2H])[2H]"]
["25245293","[2H]C([2H])([2H])[2H]"]
["200455704","C.C.[2H]C([2H])([2H])[2H]"]
["168606826","O=C[SeH].O=C[SeH].[Fe]"]
["78966603","O=C[SeH]"]
["175672575","[244Np]"]
["175672276","[186Pb]"]
["91403934","[S]S.[Ta]"]
["63043786","[S]S"]
["79063043","[S].[S]S"]
["63355976","[70Se]"]
["171375828","C1CC1.C1CC1.[Hg]"]
["174537679","C1CC1.Cl.O"]
["174815453","C1CCC1.[Zn]"]
["190568832","C1CC1.P"]
["191923207","C1CC1.C1CC1.C1CCC1"]
["175772857","C1CCC1.[Si].[Si]"]
["78307997","C1CC1.C1CC1"]
["61873954","C1CC1.[Pt+2]"]
["61903387","C1CC1.CN"]
["193564379","C1CC1.NO"]
["79576393","NS(N)(N)(N)=O"]
["175672056","[162Pm]"]
["27305158","[57Co+2]"]
["594462","[57Co+2].[Cl-].[Cl-]"]
["175671324","[85Nb]"]
["175670943","[27P]"]
["175672439","[213Th]"]
["168496914","[CH2+]C[NH]"]
["174860515","[111Zr]"]
["55213250","C.NO"]
["172703621","NO.[Na+].[Na+]"]
["175471766","NO.[CH3-].[Na+]"]
["173181073","C.C.NO"]
["78219306","NO.O.[Ca+2]"]
["68024757","NO.O"]
["174274807","NO.[Hg]"]
["150703738","NO.O.O"]
["192946206","NO.[Ar].[Cl-]"]
["172722625","NO.[Mn]"]
["172726355","NO.[I-].[K+]"]
["175671944","[152La]"]
["20953177","CN(C)N(C)C"]
["194420724","CN(C)N(C)C.CN(C)N(C)C"]
["175672430","[212Fr]"]
["149559018","S=[PH]1CC1"]
["188922791","BNN(B)B"]
["175672186","[174Er]"]
["91032990","C=[O+]F"]
["79652829","[143Pb]"]
["97119844","C=[AsH]"]
["79246201","[N][SiH3]"]
["78264981","[164Pt]"]
["175116611","[Hf].[TeH][TeH]"]
["175441851","[Fe].[TeH][TeH]"]
["174050369","[Rh].[TeH][TeH]"]
["175360463","[TeH][TeH].[V]"]
["175250589","[TeH][TeH].[Ti]"]
["101725002","[In+3].[In+3].[TeH][TeH]"]
["175434911","[Sc].[TeH][TeH]"]
["1105233","[TeH][TeH]"]
["175120644","[Nb].[TeH][TeH]"]
["175078718","[Pt].[TeH][TeH]"]
["174705780","[Cd].[TeH][TeH]"]
["1102411","[SeH3+]"]
["191130360","[PH4+].[SeH3+]"]
["78507034","[44SH2]"]
["79514287","[223Pb]"]
["174402142","C1=CC1.[Ti]"]
["61021811","C1=CC1.N"]
["174601287","C1=CC1.[H+]"]
["174516239","C1=CC1.P"]
["177624008","C.C1=CC1"]
["67960245","C1=CC1.F"]
["175360256","C1=CC1.N.N"]
["79728692","NOI"]
["96725159","C#C[TeH]"]
["175316506","C1=CC1.[Cu]"]
["172849680","C1=CC1.I"]
["175671739","[131Pm]"]
["177833519","O[Se](O)(O)#I"]
["175672434","[213Tl]"]
["78354674","[1C-]=[F+]"]
["78124476","NO[S]"]
["79808599","[109Er].[Ni]"]
["1101660","OO[S]"]
["32810007","[174Hf+4]"]
["79660308","[150Co]"]
["175671794","[137In]"]
["79066866","BSB"]
["163543062","[104Ni]"]
["79056767","[18Mo]"]
["191355722","[Li+].[NH-]OO"]
["180623351","[NH-]O[NH-]"]
["175672422","[211Fr]"]
["175355630","P.[NH2-].[Po+]"]
["170980599","[NH2-].[Po+]"]
["180385081","[Br-].[CH3].[Po+]"]
["175729864","[CH2]Cl.[Cl-].[Po+]"]
["79080339","[H].[O-]F.[Po+]"]
["178689464","[CH3].[Cl-].[Po+]"]
["181382269","O.[Br-].[Po+]"]
["78275383","[I-].[Po+]"]
["79777367","[H].[NH2-].[Po+]"]
["79460332","[H].[OH-].[Po+]"]
["78319026","[OH-].[Po+]"]
["33110343","[Nb+4]"]
["22773298","[Nb+4].[SiH2-2].[SiH2-2]"]
["34159808","[Nb+4].[S-2].[S-2]"]
["78098399","BPP"]
["23879500","[Nb+4].[Se-2].[Se-2]"]
["23287505","[Nb+4].[O-2].[O-2]"]
["79595808","[Nb+4].[Te-2].[Te-2]"]
["78072126","BPB"]
["51145635","[119In]"]
["83055606","N=[Si]N"]
["27306432","[166Ho]"]
["91552964","[CH2+][As]"]
["175386039","[166Ho].[Ho]"]
["79420207","[170Pt]"]
["67334256","C[Si+]C"]
["79739013","C[Si+]C.[F-].[F-]"]
["79027719","C[Si+]C.[Cl-].[Cl-]"]
["79634081","C[Si+]C.[Br-].[Br-]"]
["97893921","[SiH3][Si+]=[SiH3-]"]
["79393410","B1OO1"]
["175672480","[223Th]"]
["79924089","[14O]"]
["57296076","N#[N+]F"]
["33710660","[226Th]"]
["100927948","FP=C=[SiH2]"]
["79138111","[CH]=CS"]
["63655595","[SiH2]=C=[SiH2]"]
["175672226","[179Yb]"]
["79386049","[156Pb]"]
["33144627","[34Cl-]"]
["173062870","O[P-]"]
["27022425","CN(C)F"]
["32312944","[184Os]"]
["79019177","O[P-].[Zn+2]"]
["175672196","[175Er]"]
["78954292","F[PH-](F)(F)F.[Na+]"]
["179626184","[AsH2]Br"]
["78954323","F[PH-](F)(F)F.[NH4+]"]
["101103659","[2H]C1=C=C1[2H]"]
["79896722","F[PH-](F)(F)F.[K+]"]
["78951593","F[PH-](F)(F)F.[Li+]"]
["1101714","[212Po]"]
["79850930","Cl[Br+].[Cl-]"]
["96645049","[C+]=[Br+]"]
["91379787","[Br+]I"]
["83239763","[212Po].[H].[H]"]
["1098988","Br[Br+]"]
["96738900","C[Br+]"]
["178036546","[227Th+4]"]
["56591744","[203Bi]"]
["83056932","I[Si]#[Si]I"]
["79865631","[10Mo]"]
["78214899","[12As]"]
["167324664","C#[N+][S]"]
["79371465","[31Ar]"]
["175671025","[41S]"]
["175671404","[96Pd]"]
["34726733","[182Ta]"]
["25831188","NC(N)(Cl)Cl"]
["194167551","[Na+].[Na+].[O-][AsH][S-]"]
["175672366","[202Ir]"]
["27080103","C[Si](C)(C)[SiH2]"]
["34408791","[Re+7]"]
["1097384","[Al+2].[Cl-]"]
["91386387","[Al+2].[Br-]"]
["79624139","[Mn].[O]O"]
["172093270","[Al+2].[Cl-].[O-]O"]
["79877552","[Ce].[O]O"]
["78238674","[Al+2].[S-2]"]
["79049667","[Li+].[O]O"]
["191015935","[Al+2].[C]#C"]
["64668490","[Al+2].[CH3].[Cl-]"]
["33139676","[O-2].[Re+7]"]
["169865311","[Al+2].[Al+2].[O]"]
["79074657","[44Ar]"]
["101787766","[240Au]"]
["43650526","[3H]Br"]
["91241006","F[O+]=S"]
["187985220","[51SH2]"]
["174598060","C[SiH](C)[SeH]"]
["33897492","[125IH]"]
["174605926","[Pt].[SiH2]=S"]
["177201174","S.[Na+].[SiH2]=S"]
["174580357","F.[SiH2]=S"]
["174737991","C.[SiH2]=S"]
["172718969","[125IH].[Na+]"]
["175504717","[SiH2]=S.[Zn]"]
["173354994","Br.Br.[SiH2]=S"]
["175369154","[Fe].[SiH2]=S"]
["174360049","[HH].[SiH2]=S"]
["175020276","[Cd].[SiH2]=S.[Zn]"]
["174360048","[HH].[HH].[SiH2]=S"]
["175670964","[31S]"]
["63228353","[210Tl]"]
["79048718","[55SH2]"]
["79055479","[C+]=[GeH3-]"]
["79884160","[1Mn]"]
["83577101","O=[Te]O"]
["173155357","O[PH+](O)O.[Rh]"]
["79378620","[C]S"]
["60497766","O[PH+](O)O"]
["79319145","O[PH+](O)O.[Rh-]"]
["173157176","O[PH+](O)O.O[PH+](O)O.[Rh]"]
["173369463","O[PH+](O)O.[Ru]"]
["173314176","O[PH+](O)O.O[PH+](O)O.[Pd]"]
["173093468","O[PH+](O)O.O[PH+](O)O.[Ni]"]
["163543064","[151Ni]"]
["172800868","NCl.[I-].[K+]"]
["175314590","Cl.NCl.[Cu]"]
["192476177","C.NCl.S"]
["173692570","NCl.[H-].[K+]"]
["79774871","NCl.[Ag]"]
["193603276","NCl.NN"]
["172705664","NCl.[K+].[K+]"]
["175342519","NCl.[H-].[Li+]"]
["45674037","NCl.[P]"]
["156384256","NCl.[K+]"]
["193949567","C.NCl.[Pt]"]
["175672536","[234Cm]"]
["79579585","[274Hf]"]
["79401936","[72Ar]"]
["79635219","[129Ni]"]
["79927283","[96Hf]"]
["79220884","O[SiH2]"]
["68523606","[78Se]"]
["175671319","[85As]"]
["32933138","[217At]"]
["79764143","[6Si]"]
["23060556","[SiH2]=[Se]"]
["181502974","C[P+](C)=[SiH2]"]
["70707922","[223Ra+2]"]
["27277939","[223Ra+2].[Cl-].[Cl-]"]
["56349400","[197Tl]"]
["175671271","[79As]"]
["78249404","[120O]"]
["65959590","[2H][C-]=O.[2H][C-]=O.[Ir]"]
["67561749","CO.[2H][C-]=O.[Ir]"]
["180294854","C[Si]([O-])([O-])[O-]"]
["50736994","[2H][C-]=O.[Ni]"]
["45080560","[2H][C-]=O.[2H][C-]=O.[Ni+2]"]
["48504804","[2H][C-]=O"]
["172021557","[2H][C-]=O.[Ir]"]
["1102610","[O]P(=O)([O-])[O-]"]
["171753146","[2H][C-]=O.[2H][C-]=O.[Ni+3]"]
["79228403","[Na+].[Na+].[O]P(=O)([O-])[O-]"]
["172919779","[2H][C-]=O.[Pt]"]
["78368317","[88S]"]
["79091738","C=P.[Pd]"]
["175495834","C=P.N#N"]
["100357389","C=P.[Ir]"]
["174175787","C=P.Cl.Cl"]
["100171312","C=P.P"]
["26320895","CC(C)=P"]
["158407074","C=P.[Ni]"]
["56507119","C=P"]
["79397889","C=P.[Ru]"]
["173204076","C=P.I"]
["91565764","C=P.[Cu+2]"]
["175672556","[239Cm]"]
["96611883","C[Xe+]"]
["33436712","[17FH]"]
["79626731","[80Fe]"]
["194400317","ClNNCl.[Cl-]"]
["50515328","ClNCl.[Pd+2]"]
["192995624","Cl.ClNCl"]
["174931844","ClNCl.N.[Pd]"]
["68582569","[F-].[F-].[Ga+2]"]
["79362772","ClNCl.ClNCl.[Pt]"]
["56076529","ClNNCl"]
["51327213","[Ga+2].[I-].[I-]"]
["79475277","[Br-].[Cl-].[Ga+2]"]
["174779918","ClNNCl.[Ni]"]
["174953240","ClNCl.I"]
["32552779","[172Er]"]
["190300162","[PH3+]C(Cl)Cl"]
["45948185","[177Yb]"]
["1100670","[H+].[H+].[S][S-]"]
["79403970","[158Pb]"]
["44421828","[N]=[SiH2]"]
["175672526","[233Fr]"]
["45342342","[CH2+][NH]"]
["175670899","[19N]"]
["79884707","[165Hg]"]
["175672417","[210Fr]"]
["100850410","C[BrH+]"]
["175671375","[92Rh]"]
["67172615","[2H]S[2H].[3H].[W]"]
["191845848","C.C.[2H]S"]
["200452262","S.[2H]S.[2H]S[2H]"]
["50900524","[2H]S[2H]"]
["190707653","S.[2H]S[2H]"]
["57858550","[2H]S"]
["191845850","C.C.[2H]S[2H]"]
["78246757","[210Hg]"]
["177115372","CI(F)(F)(F)F"]
["79101224","[148Pb]"]
["79389811","[CH]C.[CH]C.[Ni]"]
["53754443","[CH]C.[W]"]
["79334690","[Al].[CH]C.[H]"]
["173064410","[CH]C.[Pb]"]
["56085649","[CH]C.[CH]C.[Rh]"]
["99208790","[CH]C.[Zr]"]
["44562644","[CH]C.[Zr+2]"]
["79935827","[CH]C.[Mo]"]
["161759457","[CH]C.[Cr]"]
["172009533","[CH]C.[I-].[Ru+]"]
["77706302","[CH]C.[Pt]"]
["33716983","[136Eu]"]
["91183214","[F+]=S"]
["185009110","[AsH2][Se]"]
["175671544","[113Nb]"]
["167256904","C=[14C]=O"]
["91194934","[Se][As]=[Se]"]
["32551022","[54Fe]"]
["79835822","[236Pb]"]
["174815952","OO[TeH]"]
["78292377","[176Pb]"]
["175671303","[83Y]"]
["170580297","C[Si-](F)(F)(F)F"]
["175671932","[151Cs]"]
["79490182","[15Mo]"]
["100769774","C1CN1"]
["64035425","C1CN1.N"]
["174059079","C1CN1.O.O"]
["79783063","C1CN1.[O]"]
["79904285","C1CN1.[Ni]"]
["159416951","C1CN1.[Cu]"]
["191787042","C1CN1.[Cl-]"]
["174891658","C1CN1.[Pt]"]
["79874283","C1CN1.C1CN1.[Sn]"]
["79198062","C1CN1.[N]"]
["50981482","C1CN1.Cl"]
["79119452","[232W]"]
["175672711","[277Hs]"]
["67780526","C[Si]C.[Os]"]
["56287168","C[Si]C.[Fe+]"]
["172778414","C[Si]C.[Zr].[Zr]"]
["79080305","C[Si]C.[H-]"]
["99531527","C[Si]C.[O].[Zr]"]
["79739014","C[Si]C.F"]
["62952222","C[Si]C.[Fe]"]
["192868303","C[Si]C.[V].[Y]"]
["59653002","C[Si]C.[Cl-].[Ti+]"]
["79712047","C[Si]C.[N].[N]"]
["79298602","C[Si]C.[O]"]
["69491731","[1CH3][1CH2][1CH]([1CH3])[1C@H]1[1O][1C@]2([1CH]=[1CH][1C@@H]1[1CH3])[1CH2][1C@@H]1[1CH2][1C@@H]([1CH2]/[1CH]=[1C](\\[1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])/[1CH]=[1CH]/[1CH]=[1C](\\[1CH3])[1C@]3([1OH])[1CH2][1C](=[1O])[1C]([1CH3])=[1CH][1C@H]3[1C](=[1O])[1O]1)[1O]2"]
["69491782","[1CH3][1CH2][1C@H]([1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])[1C@@H]([1OH])[1CH2]/[1C]([1CH2][1C@@H]1[1CH2][1C@H]([1OH])[1CH2]/[1CH]=[1C](\\[1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])/[1CH]=[1CH]/[1CH]=[1C](\\[1CH3])[1CH]2[1CH2]/[1C](=[1N]\\[1OH])[1C]([1CH3])=[1CH][1CH]2[1C](=[1O])[1O]1)=[1N]/[1OH]"]
["76239656","[1CH3][1CH2][1CH]([1CH3])[1CH2][1CH2][1O][1C@H]1[1O][1C](=[1O])[1C@]23[1CH2][1C@@H]4[1CH2][1C]([1CH3])([1CH3])[1CH2][1C]4=[1C]([1CH]=[1O])[1C@]12[1CH2]3"]
["69491854","[1CH3][1CH2][1CH]([1CH3])[1C@H]1[1O][1C@@]2([1CH2][1C@@H]3[1CH2][1C@@H]([1CH2]/[1CH]=[1C](\\[1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])/[1CH]=[1CH]/[1CH]=[1C](\\[1CH3])[1c]4[1cH][1c]([1OH])[1c]([1CH3])[1cH][1c]4[1C](=[1O])[1O]3)[1O]2)[1CH2][1C@H]([1OH])[1C@@H]1[1CH3]"]
["69491882","[1CH3][1CH2][1CH]([1CH3])[1C@H]1[1O][1C@]2([1CH2][1C@@H]3[1CH2][1C@@H]([1CH2]/[1CH]=[1C](\\[1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])/[1CH]=[1CH]/[1CH]=[1C](\\[1CH3])[1c]4[1cH][1c]([1OH])[1c]([1CH3])[1cH][1c]4[1C](=[1O])[1O]3)[1O]2)[1CH2][1C@H]([1OH])[1C@@H]1[1CH3]"]
["69491787","[1CH3][1CH2][1CH]([1CH3])[1C@H]1[1O][1C@]2([1CH2][1C@@H]3[1CH2][1C@@H]([1CH2]/[1CH]=[1C](\\[1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])/[1CH]=[1CH]/[1CH]=[1C](\\[1CH3])[1C@]4([1OH])[1CH2][1C](=[1O])[1C]([1CH3])=[1CH][1C@H]4[1C](=[1O])[1O]3)[1O]2)[1CH2][1C@H]([1OH])[1C@@H]1[1CH3]"]
["69491840","[1CH3][1CH2][1CH]([1CH3])[1C@H]1[1O][1C@@]2([1CH2][1C@@H]3[1CH2][1C@@H]([1CH2]/[1CH]=[1C](\\[1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])/[1CH]=[1CH]/[1CH]=[1C](\\[1CH3])[1C@]4([1OH])[1CH2][1C](=[1O])[1C]([1CH3])=[1CH][1C@H]4[1C](=[1O])[1O]3)[1O]2)[1CH2][1C@H]([1OH])[1C@@H]1[1CH3]"]
["76239979","[1CH3][1C](=[1O])[1O][1C@@H]1[1C]2=[1C]([1C@H]3[1O][1C](=[1O])/[1C](=[1CH]/[1O][1CH]4[1CH]=[1C]([1CH3])[1C](=[1O])[1O]4)[1C@@H]13)[1C]([1CH3])([1CH3])[1CH2][1CH2][1CH2]2"]
["76239762","[1CH3][1C]1([1CH3])[1CH2][1CH2][1CH2][1C@]23[1C](=[1O])[1O][1C@H]([1OH])[1CH]2[1C]([1CH]=[1O])=[1CH][1CH2][1C@@H]13"]
["69491887","[1CH3][1CH2][1CH]([1CH3])[1C@H]1[1O][1C@]([1OH])([1CH2][1C@@H]2[1CH2][1C@H]([1OH])[1CH2]/[1CH]=[1C](\\[1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])/[1CH]=[1CH]/[1CH]=[1C](\\[1CH3])[1c]3[1cH][1c]([1OH])[1c]([1CH3])[1cH][1c]3[1C](=[1O])[1O]2)[1CH2][1C@H]([1OH])[1C@@H]1[1CH3]"]
["69491925","[1CH3]/[1C](=[1CH]\\[1C@H]([1CH3])[1C](=[1O])[1CH2][1C@H]([1OH])[1CH2][1CH]1[1CH2][1C](=[1O])[1N]=[1C]([1OH])[1CH2]1)[1C@@H]1[1O][1C](=[1O])/[1CH]=[1CH]/[1CH2][1CH2]/[1CH]=[1CH]/[1C@H]([1OH])[1C@@H]([1OH])[1C@@H]1[1CH3]"]
["69491921","[1CH3][1CH2][1C@H]([1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])[1C@@H]([1OH])[1CH2]/[1C]([1CH2][1C@@H]1[1CH2][1C@H]([1OH])[1CH2]/[1CH]=[1C](\\[1CH3])[1C@@H]([1OH])[1C@@H]([1CH3])/[1CH]=[1CH]/[1CH]=[1C](\\[1CH3])[1CH]2[1CH2]/[1C](=[1N]\\[1OH])[1C]([1CH3])=[1CH][1CH]2[1C](=[1O])[1O]1)=[1N]\\[1OH]"]
["76239034","[8O]=[6C]([8O][6C@@H]1[6CH2][6c]2[6c]([8OH])[6cH][6c]([8OH])[6cH][6c]2[8O][6C@@H]1[6c]1[6cH][6c]([8OH])[6c](=[8O])[6c]2[6c]([8OH])[6c]([8OH])[6cH][6c]([6C@H]3[8O][6c]4[6cH][6c]([8OH])[6cH][6c]([8OH])[6c]4[6CH2][6C@H]3[8OH])[6c]2[6cH]1)[6c]1[6cH][6c]([8OH])[6c]([8OH])[6c]([8OH])[6cH]1"]
["76238671","[8O]=[6C]1[6CH]2[6CH2][6c]3[6c]([7n]([6C](=[8O])[6c]4[6cH][6cH][6cH][6cH][6cH]4)[6c]4[6cH][6cH][6cH][6cH][6c]34)[6CH2][6CH]2[6C](=[8O])[7N]1[6c]1[6cH][6cH][6c]([7NH][6c]2[6cH][6cH][6c]([7N]3[6C](=[8O])[6CH]4[6CH2][6c]5[6c]([7n]([6C](=[8O])[6c]6[6cH][6cH][6cH][6cH][6cH]6)[6c]6[6cH][6cH][6cH][6cH][6c]56)[6CH2][6CH]4[6C]3=[8O])[6cH][6cH]2)[6cH][6cH]1"]
["76239035","[8OH][6c]1[6cH][6c]([8OH])[6c]2[6c]([6cH]1)[8O][6C@@]1([6c]3[6cH][6cH][6c]([8OH])[6c]([8OH])[6cH]3)[8O][6c]3[6cH][6c]([8OH])[6c]4[6c]([6c]3[6C@@H]2[6C@H]1[8OH])[8O][6C@@]1([6c]2[6cH][6cH][6c]([8OH])[6c]([8OH])[6cH]2)[8O][6c]2[6cH][6c]([8OH])[6c]3[6c]([6c]2[6C@@H]4[6C@H]1[8OH])[8O][6C@H]([6c]1[6cH][6cH][6c]([8OH])[6c]([8OH])[6cH]1)[6C@H]([8OH])[6CH2]3"]
["76238670","[8O]=[6C]([6c]1[6cH][6cH][6c]([7N]2[6C](=[8O])[6CH]3[6CH2][6c]4[6c]([7n]([6C](=[8O])[6c]5[6cH][6cH][6cH][6cH][6cH]5)[6c]5[6cH][6cH][6cH][6cH][6c]45)[6CH2][6CH]3[6C]2=[8O])[6cH][6cH]1)[6c]1[6cH][6cH][6c]([7N]2[6C](=[8O])[6CH]3[6CH2][6c]4[6c]([7n]([6C](=[8O])[6c]5[6cH][6cH][6cH][6cH][6cH]5)[6c]5[6cH][6cH][6cH][6cH][6c]45)[6CH2][6CH]3[6C]2=[8O])[6cH][6cH]1"]
["76239037","[6CH3][6C](=[8O])[8O][6C@H]1[6CH2][6C@]([6CH3])([8OH])[6CH2][6C@@H]2[6C@@]1([8O][6C]([6CH3])=[8O])[6CH2][6C@@]1([6CH3])[6C@H]([8O][6C]([6CH3])=[8O])[6C@H]3[6C@@H]([8O][6C](=[8O])[6c]4[6cH][6cH][6cH][6cH][6cH]4)[6C@@H]([6CH3])[6CH2][6C@]3([8OH])[6C@H]([8O][6C]([6CH3])=[8O])[6C@@]21[6CH3]"]
["173969513","[B+]=C1C(=[B+])C(=[B+])[C-]2[C-](C1=[B+])[C-]([C-]1C(=[B+])C(=[B+])[C-]([C-]3[CH-][CH-][CH-][CH-][CH-]3)C(=[B+])C1=[B+])[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]1[C-]2[C-]1C(=[B+])C(=[B+])[c-]2o[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]3[c-]2C1=[B+]"]
["173969473","[B+]=C1C(=[B+])C(=[B+])[C-]2[C-](C1=[B+])[C-]([C-]1C(=[B+])C(=[B+])[C-]([C-]3C(=[B+])C(=[B+])c4c(oc5c(=[B+])c(=[B+])c(=[B+])c(=[B+])c45)C3=[B+])C(=[B+])C1=[B+])[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]1[C-]2[C-]1[CH-][CH-][CH-][C-]2[CH-][CH-][CH-][CH-][C-]21"]
["174085961","[B+]=C1C(=[B+])C(=[B+])[C-]2[C-]([N-][C-](Cl)[N-][C-]2[C-]2C(=[B+])C(=[B+])C(=[B+])[c-]3[c-]2o[c-]2c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]32)C1=[B+]"]
["174062733","[B+]/C(C#[C-])=C([B+])/C([B+])=C(/[B+])Cn1[c-]2[c-]([c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]31)C(=[B+])[C-]([C-]1C(=[B+])C(=[B+])C3=C(C1=[B+])[C-](/C([B+])=C(/[B+])C(=[B+])C)C(=[B+])N3[C-]1C(=[B+])[CH-]C(=[B+])[C-]([c-]3[n-][cH-][n-]c4c3O[C-]3[CH-][CH-][CH-][CH-][C-]43)C1=[B+])C(=[B+])C2=[B+]"]
["173708227","[B+]=C1[CH-][CH-]C(=[B+])C2=C1C1=C(N)C(=[B+])C(=[B+])C(=[B+])[C-]1N2[c-]1c(=[B+])c(=[B+])[c-](N)[cH-][c-]1N"]
["174062843","[B+]=C1C(=[B+])C(=C2[N-][CH-][N-]C3=C2S[C-]2[C-]3[CH-][CH-][CH-][C-]2[C-]2C(=[B+])C(=[B+])C(=[B+])[C-]([C-]3C(=[B+])C(=[B+])C(=[B+])[c-]4[c-]3s[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]43)C2=[B+])C(=[B+])[C-]([C-]2C(=[B+])C(=[B+])C(=[B+])[c-]3[c-]2s[c-]2c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]32)C1=[B+]"]
["174074866","[B]=C1C(=[B+])[C-]([c-]2c(=[B+])c(=[B+])[c-]3c(=[B+])c(=[B+])[c-]4[c-]5[c-](c(=[B+])c(=[B])[c-]2[c-]35)C(=[B+])C(=[B+])C4=[B+])C(=[B])[C-]([c-]2c(=[B])c(=[B+])[c-]3c(=[B+])c(=[B+])[c-]4[c-]5[c-](c(=[B+])c(=[B])[c-]2[c-]35)C(=[B+])C(=[B+])C4=[B+])[C-]1[C-]1C(=[B+])C(=[B+])C(=[B+])[c-]2o[c-]3c(=[B+])[c-]4c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]4c(=[B])[c-]3[c-]21"]
["174038658","[B]C/C([B])=C([B])\\C(CC[O-])=C(\\[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]1C[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B])C1C)[c-]1[cH-]c(=[B])[c-]2o[c-]3[c-]([c-]2c1=[B+])[CH-][C-]1[C-]2C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]2[C-]2C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]2[C-]1C3=[B+]"]
["173969452","[B+]=C1C(=[B+])C(=[B+])[C-]2[C-](C1=[B+])[C-]([C-]1C(=[B+])C(=[B+])[C-]([c-]3[cH-][cH-][c-]4o[c-]5[cH-][cH-][cH-][cH-][c-]5[c-]4[cH-]3)C(=[B+])C1=[B+])[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]1[C-]2[C-]1C(=[B+])c2c(c(=[B+])c(=[B+])c(=[B+])c2=[B+])-c2c1c(=[B+])c(=[B+])c(=[B+])c2=[B+]"]
["173969494","[B+]=C1C(=[B+])[C-]([c-]2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3[c-]([C-]3[CH-][CH-][C-]4[CH-][CH-][CH-][CH-][C-]4[CH-]3)[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]23)C(=[B+])c2c1oc1c(=[B+])c(=[B+])c(=[B+])c(=[B+])c21"]
["173969367","[B+]=C1C(=[B+])C(=[B+])[C-]2[C-](C1=[B+])c1c(c(=[B+])c(=[B+])c(=[B+])c1=[B+])C(=[B+])[C-]2[c-]1c(=[B+])c(=[B+])[c-]([C-]2[C-]3C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]3[C-]([C-]3[CH-][CH-][CH-][C-]4[CH-][CH-][CH-][CH-][C-]43)[C-]3C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]32)[c-]2c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]12"]
["174040251","[B+]=C1C(=[B+])[C-]([c-]2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3[c-]([C-]3[CH-][CH-][CH-][CH-][C-]3[C-]3[CH-][CH-][CH-][CH-][CH-]3)[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]23)C(=[B+])c2c1oc1c2c(=[B+])c(=[B+])c2c(=[B+])c(=[B+])c(=[B+])c(=[B+])c21"]
["185537766","C[SeH](C)C"]
["171133333","CN(C)P(Cl)N(C)C.CN(C)P(Cl)N(C)C.CN(C)P(Cl)N(C)C"]
["32793156","COP(N(C)C)N(C)C"]
["171089821","C[NH+]([S-])C(=O)[S-].[Na+]"]
["78614874","CS(=O)[SH](=O)=O"]
["175802528","C=C(C(=C)C(F)(F)F)C(F)(F)F.CC"]
["192061016","CCC[S-](=S)=S.CCC[S-](=S)=S"]
["57866532","COP(Br)(Br)(OC)OC"]
["43240670","CO[CH-]OC.[Y]"]
["43001142","[167Yb]"]
["172786989","CC(C(=O)O)[SeH](C)C"]
["167169929","[2H]CC(C)(C)C[2H]"]
["191346506","[Ge].[Hf+2]"]
["57267613","[Ge].[Na+]"]
["79019393","[Al].[Ge]"]
["91002476","[Ge].[Ge].[V]"]
["79702574","[Hf+2].[NH2-].[NH2-]"]
["79624417","[Cl-].[Ge]"]
["91344175","[Ge].[Ru]"]
["78118650","[Ge].[S].[Sb]"]
["83056659","[Ge].[Ge].[Ti]"]
["172822287","[Ar].[Ge].[Li+]"]
["90962549","[Ge].[V].[Zr]"]
["79646796","[Ge].[Ti]"]
["175671633","[121Ag]"]
["101724840","SS.[Cu+].[Fe]"]
["43554321","SS.[Mo]"]
["174903674","SS.[W].[W]"]
["174145524","SS.[Ag].[Nb]"]
["79340962","SS.[Ca+2]"]
["174840598","O.SS.[W]"]
["79942902","N.N.SS"]
["101724973","SS.[NH4+].[NH4+]"]
["79531211","SS.[Li+].[Li+]"]
["59344230","SS.[Eu].[Eu]"]
["79186698","SS.[Sr]"]
["78231146","[55Ni]"]
["67706149","[178W]"]
["79111722","PBP"]
["59510348","C=NF"]
["175672367","[202Pt]"]
["175671156","[63Ga]"]
["79270110","[126Co]"]
["1103586","O=[I+]=O"]
["175671577","[116Ru]"]
["175672679","[266Lr]"]
["24909151","[O]CO"]
["78085758","[1Ni]"]
["175161277","[208Pt]"]
["175671933","[151Ba]"]
["79214215","[Br-].[O].[Y+]"]
["172764510","CN(C)C.CN(C)C.N"]
["78101033","CN(C)C.N.S"]
["174511070","CN(C)C.[Cr]"]
["174620163","CN(C)C.[Pd]"]
["79266645","CN(C)[AsH2]"]
["195320224","C.CN(C)C.[Rh]"]
["161746529","Br.CN(C)C.O"]
["78236620","CN(C)C.Cl.O"]
["51582735","CN(C)C.[Ru+]"]
["63199859","[I-].[S].[Y+]"]
["175671317","[85Ga]"]
["175671196","[69Ni]"]
["49076152","[La+3].[La+3]"]
["42442864","C.[La+3]"]
["193429492","[Cd+2].[La+3].[NH4+]"]
["50259234","[Ga+3].[La+3]"]
["175894688","[La+3].[Se-2].[Se-2]"]
["55837803","[La+3].[Pd+2]"]
["68220916","[Fe+2].[La+3]"]
["167232177","C=C[Te-].[Na+]"]
["56023234","[Al+3].[La+3].[Ni+2]"]
["62330897","[F-].[F-].[La+3]"]
["192113838","[La+3].[O-2].[Ti+4]"]
["46427594","[Cu+].[La+3]"]
["175671320","[85Se]"]
["175671149","[62Mn]"]
["177201289","[B+]=S.[Na+].[S-2]"]
["50034920","[Bh].[Bh].[Bh]"]
["65167275","[24FH]"]
["68209497","[Bh].[CH3-]"]
["78151425","[145Zr]"]
["43189517","[Bh]"]
["53694046","[Bh].[K+]"]
["66688479","[Bh].[Bh]"]
["27307561","[83Sr+2]"]
["43225468","ClN(Cl)N(Cl)Cl"]
["47839922","[Cr+2].[Mo+2]"]
["42391550","[Mo+2].[Mo+2]"]
["185689609","[Br-].[Cl-].[Mo+2]"]
["161754947","[C-]#N.[C-]#N.[Mo+2]"]
["68088105","[Mo+2].[O].[S]"]
["50001811","[I-].[I-].[Mo+2]"]
["193774760","[IH2+].[Mo+2]"]
["66157532","C[N].[Mo+2].[O]"]
["161726097","[Mo+2].[PH].[PH]"]
["161658580","[CH3-].[CH3-].[Mo+2]"]
["175672209","[176Pt]"]
["25882487","CC1=C(C)C(C)=C(C)C(C)=C(C)C(C)=C1C"]
["79636774","[121Co]"]
["49461567","CC1=C(C)/C(C)=C(C)\\C(C)=C(C)/C(C)=C\\1C"]
["65949876","CC1=C(C)C(C)=C1C"]
["33052064","[105Ru]"]
["79873473","[32Ni]"]
["100240572","CC1=C(C)/C(C)=C(C)\\C(C)=C(\\C)C(C)=C1C"]
["1105162","[125Te]"]
["175672179","[173W]"]
["49187914","[135Ce]"]
["78192525","[6Zr]"]
["26522502","[O]C(Cl)(Cl)Cl"]
["175672053","[161Ta]"]
["174638759","[210Au]"]
["174696598","C[SiH3].O=[GeH2]"]
["173326053","O=P.O=[GeH]"]
["101724194","O=[Te].[Cd+2].[Cu+]"]
["174804775","O=[SiH2].[Yb]"]
["79546232","O=[SiH2].[Cr].[Pb]"]
["79946771","O=P.[Al].[Mg+2]"]
["54991932","CP.O=P.[V]"]
["79242655","O=[SiH2].[Ba].[Sr]"]
["52694476","O=[74Se](=O)([O-])[O-].[Na+].[Na+]"]
["79764040","O=P.[O].[V]"]
["101723166","O=[SiH2].[Al].[Ca+2]"]
["78675404","[Er].[Er]"]
["91512944","[Cu].[Er].[Fe]"]
["91497315","[Er].[Sn]"]
["79175675","[Er].[H-]"]
["79057176","[Er].[Ge].[Sb]"]
["91170055","[Er].[Ge].[Mn]"]
["161567805","ClC=CCl.[Bi]"]
["175277737","[Er].[Mo].[Yb]"]
["78590848","F.[Ba].[Er]"]
["91249736","[Bi].[Er].[Pt]"]
["172770134","[Er].[Na+]"]
["159147283","[Er].[Fe].[Sm]"]
["1098498","[199Tl]"]
["177552","[199Tl].[H]"]
["79032073","[126N]"]
["175671278","[80As]"]
["175670894","[18C]"]
["175672273","[186Au]"]
["33024811","[113Ag]"]
["174517181","SNS.[Zn]"]
["175553199","SNS.[Zn].[Zn]"]
["79209524","NNN.O"]
["1105028","NNN"]
["174185469","I.NNN"]
["78580068","[C]NN"]
["33073439","[Ru+7]"]
["157993921","SNS.[Ru]"]
["158613616","SNS.[B]"]
["59789885","NNNN"]
["161022630","Cl.NN.NNN"]
["33786103","[193Os]"]
["101709793","B1=CS1"]
["1105835","C1=CO1"]
["175672142","[169Hf]"]
["46355736","[40K+].[42K+]"]
["33130489","[S-2].[W+4]"]
["1101244","[W+4]"]
["23163497","[S-2].[S-2].[W+4]"]
["79208447","[Te-2].[Te-2].[W+4]"]
["172396757","C1=CO1.C1=CO1"]
["25999960","c1css1"]
["1077292","[O].[W+4]"]
["78758760","[49BH3]"]
["69610797","C[S-].[Re].[Rf]"]
["61241097","[NH2-].[NH2-].[Rf]"]
["171964857","P.[Rf]"]
["79625285","[60C]"]
["193872376","[CH3-].[Rf].[Y]"]
["58371896","OCO.[Rf]"]
["48544084","[CH-].[Rf]"]
["185011553","N[SiH](N)[SiH](N)N"]
["65989319","C[S-].C[S-].[Rf]"]
["64372492","[NH2-].[Re].[Rf]"]
["67017113","[CH3-].[Rf]"]
["175671445","[101Nb]"]
["175671962","[153Tm]"]
["59184273","C=[14CH]O"]
["147764416","[158In]"]
["175672420","[211Hg]"]
["78360512","[139Mo]"]
["33277310","[47Sc]"]
["1101516","[HeH+2]"]
["79519974","[SiH3][SiH3].[Si]"]
["174913186","[SiH3][SiH3].[W].[W]"]
["79149886","[Bi].[SiH3][SiH3]"]
["175671939","[151Er]"]
["79926422","[GeH4].[SiH3][SiH3]"]
["78139949","[O].[SiH3][SiH3]"]
["193567764","[Cl-].[SiH3][SiH3]"]
["79876803","N.[SiH3][SiH3]"]
["162058209","I.[SiH3][SiH3]"]
["78607419","[Li+].[SiH3][SiH3]"]
["173372414","[H-].[K+].[SiH3][SiH3]"]
["175672048","[161Eu]"]
["26897","[201Tl+].[Cl-]"]
["12598094","[205Hg]"]
["78159450","[245W]"]
["27309370","[201Tl+]"]
["175670938","[26P]"]
["66237263","CO.[Fe+2]"]
["166783806","CO.Cl.[Ru]"]
["174674947","Br.CO.[Cu]"]
["174650452","Br.CO.[Zn]"]
["62849167","CO.[Co]"]
["174876782","CO.[SeH2]"]
["172247575","[Co].[Li+].[O-]O"]
["79653974","OS.[Mo]"]
["79536794","CO.[Cl-].[Na+]"]
["78715334","O.[Mg+2].[O-]O"]
["191762264","CO.CO.P"]
["43825210","[199Pt]"]
["66849675","[Ag].[W]"]
["79654627","I.I.[W]"]
["193836368","[K+].[O-2].[W]"]
["62202078","[K+].[S].[W]"]
["161323812","[Ce].[Mn].[W]"]
["196346684","[Na+].[Se].[W]"]
["65201839","[S-2].[S-2].[W]"]
["159965869","[Rh].[Si].[W]"]
["158202109","[Fe].[V].[W]"]
["188008393","O.[Cu].[W]"]
["172817521","[Li+].[Na+].[W]"]
["79729744","[154Ni]"]
["78124850","[I-].[Pr+]"]
["97004174","[Cl-].[O].[Pr+]"]
["78199548","N.[45Fe]"]
["79094974","[F-].[Pr+]"]
["79030870","[Cl-].[Pr+]"]
["161660157","[OH-].[O].[Pr+]"]
["91418478","N=[P+](Br)Br"]
["78523240","[Pr+].[SH-]"]
["63424361","[O].[Pr+]"]
["58383417","N=[Se]"]
["173424512","[45Fe]"]
["175672062","[162Hf]"]
["79523749","[136As]"]
["175672106","[166Eu]"]
["145298125","O.c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c%12c%13c%14c%15c%16c%17c%14c%14c%18c%13c%11c1c1c5c%10c5c(c%14c%10c%17c%11c%13c%16c%14c%16c%15c%12c%12c%16c(c2c7c%126)c2c8c3c(c%13c%142)c2c9c4c5c%10c%112)c%181"]
["197061079","c12c3c4c5c1c1c6c2c2c3c3c4c4c5c1c1c6c2c3c41"]
["145298132","O.O.c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c%12c%13c%14c%15c%16c%17c%14c%14c%18c%13c%11c1c1c5c%10c5c(c%14c%10c%17c%11c%13c%16c%14c%16c%15c%12c%12c%16c(c2c7c%126)c2c8c3c(c%13c%142)c2c9c4c5c%10c%112)c%181"]
["33674809","[199Hg]"]
["170664729","c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c7c2c2c7c%12c%13c%14c%15c%16c%17c%18c%15c%15c%19c%14c%12c%12c2c8c3c2c%12c%19c3c%15c8c%18c%12c%14c%17c%15c%17c%16c%13c(c%17c6c6c%15c%14c%13c(c5c%10c5c%10c4c9c2c3c%10c8c%12c%135)c16)c7%11"]
["186900365","Sc1c(S)c(S)c(S)c(S)c1S.[Cu]"]
["165295866","c12c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c%23c1c1c%24c%25c%26c(c%27c%28c%29c(c%30c%31c%32c(c%33c%34c%35c(c%36c%37c%38c(c%39c%40c(c%24c%23c%21%39)c%25c%21c(c%26%28)c(c%29%31)c(c%32%34)c(c%37%35)c%21c%40%38)c%20c%17%36)c%16c%13%33)c%12c9%30)c8c5%27)c41)c2c1c(c36)c(c7%10)c(c%11%14)c(c%18%15)c1c%22%19"]
["25133426","Sc1c(S)c(S)c(S)c(S)c1S"]
["195221834","c12c3c4c1c1c5c6c7c8c9c%10c%11c%12c(c4%11)c4c%11c%12c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c(c%11%14)c%11c%23c%14c%22c%22c%20c%20c%19c%19c%17c(c%16%13)c(c%13c%19c%16c(c%138)c6c6c(c%22c8c6c5c2c(c3c4%11)c8%14)c%20%16)c9c%12c%10c71)c%15c%18%21"]
["165295870","c12c3c4c5c6c1c1c7c8c2c2c3c3c9c4c4c5c5c%10c%11c%12c%13c%14c%15c%12c%12c%16c%17c%18c%19c%20c%21c%17c%17c%22c%21c%21c%23c%20c%20c%19c%19c%24c%18c%16c%15c%15c%24c%16c(c7c%15c%14c1c6c%135)c8c1c2c2c3c3c(c%21c5c%22c(c%11c%17%12)c%10c4c5c93)c%23c2c%20c1c%19%16"]
["175672440","[213Pa]"]
["67896856","P=P"]
["45308491","[PH]I"]
["78622480","P=P.[Rh]"]
["171982171","[N-]=P.[Y]"]
["43743925","FN=P"]
["171983267","[N-]=P.[V+2]"]
["171919978","[N-]=P"]
["194578272","[Bi].[N-]=P"]
["167589639","P=[GeH2]"]
["78324602","[139Si]"]
["81451643","[K+].[N-]=P"]
["1106224","[AsH3+]"]
["175671061","[47Cl-]"]
["91390986","[F+]=CI"]
["175670908","[21F]"]
["175672093","[164Os]"]
["79288182","[89SH2]"]
["50012817","[14CH]#N"]
["27308259","[124I-]"]
["175671387","[94Sr]"]
["60021880","[SeH][C][SeH]"]
["27306346","[124I-].[Na+]"]
["175672448","[215Ra]"]
["172059110","[124I-].[I-].[Na+]"]
["175672158","[171Dy]"]
["175672363","[201Rn]"]
["175671384","[94Br]"]
["32938822","[213Bi+3]"]
["175671916","[149Dy]"]
["50567589","[226Rn]"]
["27305475","[76Br]"]
["175671401","[96Y]"]
["78723202","BN(B)B"]
["175671545","[113Tc]"]
["61067559","[S-]N([S-])[S-]"]
["91403117","SN(Cl)Cl"]
["175672555","[239Pa]"]
["32089585","[161Tb]"]
["34030927","[45Ti]"]
["22762762","C[18OH]"]
["96577736","[13CH3][18OH]"]
["27307390","[38P]"]
["164566387","[AsH2]B=[PH2-]=B[AsH2]"]
["24368011","[Ti+2]"]
["42276515","[Cl-].[F-].[Ti+2]"]
["62687187","[CH2].[Ti+2]"]
["187182073","[OH-].[O].[Ti+2]"]
["53732612","[Ge].[Ti+2]"]
["60554261","[Al+3].[Ti+2]"]
["66145088","[Cu+].[F-].[Ti+2]"]
["101472975","[Ba+2].[Ge+4].[Ti+2]"]
["55330148","[Ti+2].[Zn+2]"]
["62298116","[Co+2].[Os+2].[Ti+2]"]
["46020470","O.[Ti+2]"]
["53075561","[Pb].[Ti+2]"]
["79879460","[127Ni]"]
["96615038","[C+]=N"]
["64883210","[253Cf]"]
["79084881","[Mo+].[NH2-]"]
["79903456","[Mo+].[NH2-].[O]"]
["78975262","N1[SiH2][SiH2][SiH2]1"]
["185858442","[Cl-].[H].[Mo+]"]
["67590585","[C-].[Mo+]"]
["177442059","[Mo+].[O].[PH2-]"]
["172682771","[Ca+].[Cl-].[Na+]"]
["1103687","[BH+2]"]
["79484115","[Ca+].[SH-]"]
["79466892","[I-].[Mo+]"]
["59006775","[Cl-].[Mo+].[N]"]
["187963254","[P+3]"]
["172731874","[SeH4]"]
["34191370","[221Fr]"]
["79653610","[164Pd]"]
["78635986","[120PH3]"]
["101726421","[F+]=[SiH+]"]
["25489599","[N]=CN"]
["26688808","C1#CO1"]
["78171936","C1#CO1.[Ni]"]
["79593290","[110Cr]"]
["189300742","[Ts]"]
["79318413","CF.[SiH4]"]
["174556598","CF.F.[SiH4]"]
["175918580","F[SiH3].[Na+]"]
["22492645","CF.CF.O"]
["79131051","F[SiH3].[SiH4]"]
["22846956","[13CH3]F"]
["84199764","CF.[Li+]"]
["189886273","[C-]F.[Cs+].[Cs+]"]
["78347002","FN=[SiH2]"]
["192716687","F[P-].F[P-].F[P-]"]
["175329941","CF.[Cu]"]
["175672362","[201At]"]
["175671057","[46V]"]
["161168442","S[At]"]
["175671891","[146Ho]"]
["78337081","BP(B)P"]
["175672409","[209Hg]"]
["167314693","C[Si-](C)(C)(Cl)Cl"]
["99252647","Cl[I+]Cl"]
["175670981","[34Mg+2]"]
["91016010","[B+]=C[Si-]"]
["60378468","C[Si](C)(C)[O-]"]
["83228632","[126TeH2]"]
["79806507","C[S-].C[S-].[Ca+2]"]
["79457726","C[S-].[Li+]"]
["173038272","C.C[S-].[Mg+2]"]
["99695879","C[S-].[Al+3]"]
["51542008","C[S-].[CH3-].[Fe+2]"]
["53695143","C[S-].[Na+].[Na+]"]
["79937303","[S-]Br"]
["63446744","C[S-].[U]"]
["173621822","[K+].[K+].[S-]C[S-]"]
["67439093","[Li+].[S-]Cl"]
["46184018","C[S-].[Nb]"]
["175671281","[80Zr]"]
["175671285","[81Ge]"]
["172261004","[Ca+2].[Ca+2].[O-]C([O-])([O-])[O-]"]
["175732072","[Ni+2].[Ni+2].[O-]C([O-])([O-])[O-]"]
["45004473","[O-]C(Cl)(Cl)Cl"]
["199890909","[Ba+2].[Ba+2].[O-]C([O-])([O-])[O-]"]
["61082333","[O-]C([O-])([O-])[O-]"]
["172822419","[Mg+2].[Mg+2].[O-]C([O-])([O-])[O-]"]
["173004109","[Co].[O-]C([O-])([O-])[O-]"]
["171693943","[O-]C([O-])([O-])[O-].[Zn+2].[Zn+2]"]
["172561026","[O-]C([O-])([O-])[O-].[Sr+2].[Sr+2]"]
["67186259","[96Nb]"]
["79143165","I[P](I)(I)I"]
["175671992","[156Pm]"]
["175672686","[267Db]"]
["175672669","[263Rf]"]
["101386922","NBN.[H+]"]
["78598499","NBN"]
["175671552","[113Xe]"]
["648063","[Y+2]"]
["25462132","S[C]S"]
["79196658","[I-].[I-].[Y+2]"]
["79398906","[H-].[H-].[Y+2]"]
["78530593","[O-2].[Y+2]"]
["51657774","[F-].[F-].[Y+2]"]
["643159","O.[Y+2]"]
["79602573","[F-].[OH-].[Y+2]"]
["78177309","N#CCCNCCCCN=C(O)CN=C(O)CCCCCCNC(=N)N"]
["187522203","C=C(CCCCCCCCCC)CCCCCCCNCCCCCCCCOCC(CCCCCCCC)CCCCCCCC"]
["63158483","N=C(N)NCCCC(N)C(=O)N1CCCC1C(O)=NC(CCCCN)C(O)=NC(CO)C(=O)O"]
["MCULE-8491181649","COC(=O)[C@H]1CC[C@H](CN=C(O)CCCCCN=C(O)c2ccccc2)CC1"]
["32169688","ON=C(O)CCCCC[C@H](NC(O)=NCc1ccccc1)C(O)=Nc1ccccc1"]
["134456170","CCCC(O)=NCC(O)=NCCCc1ccc(C(C)C)cc1"]
["79744751","CCCCCCCCCCCCCCCCCC(O)=NCCC.CNC"]
["146145578","CC(O)=NCCCCCC(O)=NC(CN)C1CCCCC1.Cl"]
["45459654","COC(=O)CCCCCCC(O)=N/N=C/c1c(OC)cc(OC)cc1OC"]
["169645043","Cc1ccc(NC(=O)CN=C(O)[C@@H](N=C(O)CCC2C(=O)CC(SCCOCCOCCOCCN=C(O)[C@H](Cc3ccccc3)N=C(O)CN=C(O)CCCCCCCN=C(O)CCC(N)C(=O)O)C2=O)C(C)C)cc1"]
["55914746","CCCCCCCCCCCCN=C(O)CCN(CCC)CCN(CCC(O)=NCCCCCCCCCCCC)CCC(O)=NCCCCCCCCCCCC"]
["66045397","N=C(N)NCCCCN=C(O)c1cccc(CO[N+](=O)[O-])c1"]
["176850085","C1=CC=CC2=C(C=1)C1=C=C(C=CC=C1)N2C1=C=Cc2c(sc3c2C=CC=C=C3)C=C=C1"]
["176130076","C=C/C=C\\C(=C/CC1=CC=C(N(c2ccc(CC)cc2)c2cccc3c2sc2c4c(ccc23)C(C)(C)C2=C4C=C=CC=C2)C=C=C1)C(/C=C\\CC)=C/C"]
["175583559","C.CC.CC1(C)C=Cc2c3c(c4c5c(oc4c2C=C1)CCCC5=O)C=CC=C=C3"]
["173832143","C=C(C)CC=C/C=C\\CC1=C(C)C=C=CC=C1"]
["175576517","C1=CC=Cc2c(sc3c(C4=C\\C5C=C(C\\C=C/4)N(c4ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc4)C4=CC5/C=C(/C5=CC=CC(c6ccccc6)=CC5)CC=C4)cccc23)C=1"]
["175576403","CC1=CC(/C=C(\\C)c2cccc3c4c(sc23)C=C=CC=C4)c2ccccc2N1c1ccc(-c2c3ccccc3c(-c3cccc4c3CCCC4)c3ccccc23)cc1"]
["175860116","C1=CC=Cc2c(c3ncccc3n2C2=C=CC(n3c4cccnc4c4ncccc43)=CC(n3c4c(c5ncccc53)C=CC3CC43)=C2)C=1"]
["150319955","CCC(C)N1C2=C(C=C=CC=C2)CCc2ccccc21"]
["79389525","C1=CC=CC2=C=CC=C2C=1"]
["174549361","CCN(C)c1noc2c1C=CC=C=C2"]
["175109338","C1=C2C=CC=CC=1N(c1ccc(-c3ccc4c(-c5ccccc5-c5ccccc5)c5ccccc5c(-c5ccccc5-c5ccccc5)c4c3)cc1)c1ccccc12"]
["48234621","C1=CC=CC(=C(c2ccccc2)c2ccccc2)C=1.[Au+].[Cl-]"]
["99417536","CCOC(CCN(CCC(OCC)[Si+](C)C)CCC(OCC)[Si-](C)C)[Si](C)C"]
["193612520","C=CC=O.CCOC(CC(OCC)OCC)OCC"]
["97989897","CCO[SiH](OCC)OCCC(CCN(C)C)CN(C)C"]
["114762327","CC(C)CCN(CCNC1CC1)CCC(C)C"]
["91105626","CCOC(OCC)[Si]C(Cl)Cl"]
["54623647","CCOCCN(CC)CCC(NC)c1cccc(C)c1"]
["107161886","CCCCN(CC)CC[C@H](O)c1cccc([N+](=O)[O-])c1"]
["48048300","CCOC(CCN(C)C)C(=O)O"]
["171637053","CCOC(CCN=C(CC)CCCN(CC)CC)[Si](C)C"]
["171525045","CCOC(CCCSSSCCCC(OCC)[Si-](C)C)[Si+](C)C"]
["120395289","CCOC(CN)CCNC(C)c1sc(C)nc1C"]
["79727284","Br.CCOC(C)OCC"]
["91120540","O1[Ge]2=[O+][Ge]3=[O+][Ge-]4O[Ge-]5O[Ge-](O[Ge]1=[O+][Ge-](O3)O5)O[Ge](=[O+]4)O2"]
["65736427","O1[Ge]2=[O+][Ge-]1O2"]
["171543874","CC(C)(C)[si]1o[si-](C(C)(C)C)o[si-](C(C)(C)C)o[si-](C(C)(C)C)o[si-](C(C)(C)C)o[si-](C(C)(C)C)[o+][si](C(C)(C)C)[o+][si](C(C)(C)C)[o+][si](C(C)(C)C)[o+][si](C(C)(C)C)[o+]1"]
["171543877","CC(C)(C)[Si]1=[O+][Si](C(C)(C)C)=[O+][Si-](C(C)(C)C)O[Si-](C(C)(C)C)O1"]
["171915090","CC(C)[si]1o[si-](C(C)C)o[si-](C(C)C)o[si-](C(C)C)[o+][si](C(C)C)[o+][si](C(C)C)[o+]1"]
["189183145","CN(C)SOSOSOC(C)(C)SO"]
["171057327","CC(C)(C)c1cc2o[si-](C(C)(C)C)o[si](C(C)(C)C)[o+]c2c(C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1"]
["54000095","c1ccc(-[si]2o[si-](-c3ccccc3)o[si-](-c3ccccc3)o[si-](-c3ccccc3)[o+][si](-c3ccccc3)[o+][si](-c3ccccc3)[o+]2)cc1"]
["171915092","CC(C)[si]1o[si-](C(C)C)o[si-](C(C)C)o[si-](C(C)C)o[si-](C(C)C)o[si-](C(C)C)[o+][si](C(C)C)[o+][si](C(C)C)[o+][si](C(C)C)[o+][si](C(C)C)[o+]1"]
["161719053","C1C[si-]2o[si]1[o+]2"]
["171915079","CC(C)(C)[si]1o[si-](C(C)(C)C)o[si-](C(C)(C)C)o[si-](C(C)(C)C)[o+][si](C(C)(C)C)[o+][si](C(C)(C)C)[o+]1"]
["66109698","CC[si]1o[si-](CC)o[si-](CC)o[si-](CC)[o+][si](CC)[o+][si](CC)[o+]1"]
["172571711","CC(C)(C)[Si]1O[Si](C(C)(C)C)=[O+][Si-](C(C)(C)C)O1"]
["99652528","O=P(=O)OC(F)(C(F)(F)[NH+](F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["66510920","O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["100965688","CN(C)CCC[NH2+]S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["195218841","O=C(O)CCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["175169587","Br.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["197061522","O=S(=O)([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]"]
["73743819","O=C(O)NC1CCC(C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C2CCC(NC(=O)O)CC2)CC1"]
["186579289","CCN(CC)CC(O)=Nc1c(C)cccc1C.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["78241714","CCCCCCCCCCCO.CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["26797584","CC(NC(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["75459609","COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["81738881","O=S(=O)(OC(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["99121320","C1=NCC[N+]1(N1CCNC1)n1ccnc1"]
["115010777","Cc1cccc2c1[nH]c(=N)n2CCn1ccnc1"]
["164069408","CC(=O)N1CCC(N[C@H]2[C@H](O)[C@@H](n3ccnc3)[C@@H]3OC[C@H]2O3)CC1"]
["107747962","Cc1ncccc1[C@@H]1CCNCCN1C"]
["83460979","COc1cccc(C2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCNC2)c1OC"]
["143265632","CCC(CC)C(=O)N(C)CCCn1ccnc1"]
["192824387","O=C([O-])N1CCn2cc(-c3cccc(F)c3)c(C(=O)n3ccnc3)c2C1"]
["135593620","CC(CN=C(O)N1CCC(n2ccnc2)CC1)N(C)C1CC1"]
["142801380","N#CC(NC(=O)c1ccc(-n2ccnc2)cc1)C1CCCCC1"]
["105035130","N[C@@H]1CCCN(CCn2ccnc2)C1"]
["152939583","C[C@H](C(O)=NC1(C(=N)O)CCCC1)n1ccnc1"]
["185560643","CN1CCN(P(=S)(N(C)C)n2ccnc2)CC1"]
["173176605","c1cp(-c2p[pH]pc2-p2cpc(-c3pcp[pH]3)p2)pp1"]
["25277139","Cc1pcp[pH]1"]
["100251070","c1p[pH]c(-c2cp[pH]p2)p1"]
["181651676","[N-]=[N+]=Nc1pcp[pH]1"]
["74193914","c1cp(C2=C(p3cpc(-c4pc[pH]p4)p3)[P]P=P2)pp1"]
["183378917","[N-]=[N+]=Np1ccpp1"]
["43396742","c1p[pH]c(-c2pcp[pH]2)p1"]
["172012268","B#[B-]B=BB=BB=P(=BB=BB=BB=[B+])[B+]B=BB=B[B-]#B"]
["99688907","B#[B-]B=BB=BB=BB=[B+].CN(C)N"]
["174074160","B#[B-]NB=[B+]"]
["173694186","B#[B-]B=BB=BB=BB=B[B+]OCC"]
["172181820","B#[B-]B=[B+].[V]"]
["173015120","B#[B-]B=BB=BB=BB=BB(O)[B+]O"]
["55893201","B#[B-]B=BB=BB=BB=BB=[B+]"]
["173713559","B#[B-]B=BB=BB=BB=BB=BB=BB=BB=BB=B[B+]Oc1ccc(N=O)cc1Br"]
["174882896","B#[B-]B=BB=BB=BB=[B+].Cc1ccccc1"]
["173668065","B#[B-]B=BB=B[B+]OCC"]
["173581627","B#[B-]B=BB=BB=BS(=[B+])CC"]
["173735160","B#[B-]B=BB=B[B+]OO"]
["182914697","[N-]=N[N+]#SC(SC=C(Cl)SC=CF)=C(F)F"]
["181616743","CSC(CS#[N+]N=[N-])N(C)C"]
["182851407","[N-]=N[N+]#SC1(c2ccccc2)CC1"]
["183318119","CC(C)(C)OC(=O)CS#[N+]N=[N-]"]
["181391233","[N-]=N[N+]#Sc1ccc(OC(F)(F)C(F)(F)F)c(Cl)c1"]
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["183938471","C#CCC(Cl)(Cl)CCS#[N+]N=[N-]"]
["183275728","[N-]=N[N+]#SP(=O)(O)OP(=O)(O)O"]
["181611729","[N-]=N[N+]#SCCCC(=O)O"]
["182780484","CCCCCN=C(O)[N-]S#[N+]N=[N-]"]
["181132652","CCC=CSC(=CSCCCCC=CS#[N+]N=[N-])C(CC)SC=CCC"]
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["178940153","CC1C(C)C2(C)C1(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C(C)C3(C)C1(C)C1(C)C3(C)C3(C)C4(C)C5(C)C1(C)C23C12C4(C)C3(C)C4(C)C6(C)C7(C)C(C)C(C)C8(C)C7(C)C67C8(C)C6(C)C(C)(C51C)C32C467"]
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["178415485","CCC1C2CC[C@@H]3CC4(C)C5(C)C(C)(C)C(C)(C3)C36C4(C)C4(C)C7(C)C8C(C)C19C2C1C2(C)C(C)(C53C)C46C72C819"]
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["179488364","CCCC1CCC(C)C2(C)C3(C)C4(C)C5(C)C6(C)C(C)(C)C7(C)C1(C)C6(C)C1(C)C6(C)C8(C)C9(C)CCC92C83C64C715"]
["178119896","CCC1(C)CC23CC4(C)C5(C)C6(C)C(C)CC7(C)C(C)(C)C68C7(C)C6(C)C(C)(C12C)C43C568"]
["184358725","CC1(C)C2(C)C3(C)C4(C)C5(C)C6(C)C(C)(C)C7(C)C8(C)C1(C)C1(C)C9(C)C(C)(C)C2(C)C2%10C3(C)C(C)(C)C2(C)C9(C)C5(C)C18C67C4%10C"]
["179914065","CC1CCC2C3C(C)C4(C)C5(C)C6(C)C7(C)C1(C)C1(C)C(C)(C)C7(C)C7(C)C8(C)C2(C)C34C85C176"]
["178630724","CC(C1CCCC1)C1(C)C(C)(C)C2(C)C1(C)C1(C)C3(C)C(C)(C)C(C)(C)C3(C)C21C"]
["102910001","S1[Ge]2=S=[Ge]3S[Ge]1=S=[Ge-](S[Ge]14S[Ge]5=S=[Ge](S1)[S+]=[Ge](S5)S4)(S2)S3"]
["102903094","S1[Ge]2=S=[Ge]3S[Ge]1=S=[Ge](S2)S3"]
["97236422","C(=N/c1ccccc1P(c1ccccc1)c1ccccc1)\\c1cccc2cc[nH]c12"]
["90904637","CC1=C(C(O)=Nc2ccccc2F)C(c2cc(Br)c([O-])c(Br)c2)NC(O)=N1"]
["60823267","COc1cccc(NP(c2ccccc2)c2ccccc2)c1-c1c(NP(c2ccccc2)c2ccccc2)cccc1OC"]
["MCULE-8514482171","Cc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1nc(O)c2ccccc2n1"]
["183854955","[N-]=[N+]=Nc1ccccc1-c1cc(Cl)nc(-c2ccccc2)n1"]
["154503820","C#CCOc1ccccc1/C=N/c1cc(Cl)ccc1C"]
["43075577","O=C(c1ccccc1)n1cc(C=Nc2ccc(C(F)(F)F)cc2)c2ccccc21"]
["31711609","Cc1c(I)cccc1N=C(O)C1=CN=C(O)C[C@H]1c1cccc(F)c1"]
["56689451","ClC(Cl)(Cl)C(Cl)(Cl)/N=C/c1ccccc1"]
["153783069","COc1cc(/N=C\\c2cccc3[nH]ccc23)cc(OC)c1OC"]
["176440061","C=CN=C(C)NCC.CC.O=S([O-])c1ccccc1"]
["181363411","C=COC(=O)OC(OC(OC(=O)OC=C)c1ccccc1)c1ccccc1"]
["198196616","[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c(oc5c([2H])c6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c7c6c([2H])c54)c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]"]
["195416407","[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3oc4c([2H])c([2H])c([2H])c(-c5c6c([2H])c([2H])c([2H])c([2H])c6c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c([2H])c([2H])c([2H])c([2H])c56)c4c3c2[2H])c([2H])c1[2H]"]
["196668712","[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-c3c([2H])c(-c4c([2H])c([2H])c(-c5c([2H])c([2H])c(C)c([2H])c5[2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c4sc4c([2H])c([2H])c([2H])c([2H])c45)c3[2H])n2)c([2H])c1[2H]"]
["200036688","[2H]c1c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c2c(oc3c([2H])c(-c4c([2H])c([2H])c5c(sc6c([2H])c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c([2H])c([2H])c65)c4[2H])c([2H])c([2H])c32)c1[2H]"]
["170657969","[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cccc(-c4ccc5ccc6c(-c7cccc8c7C(C)(C)c7ccccc7-8)ccc7ccc4c5c76)c23)c([2H])c1[2H]"]
["199761484","[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c(-c4ccc5sc6c(-c7c([2H])c([2H])c([2H])c(-n8c9c([2H])c([2H])c([2H])c([2H])c9c9c([2H])c([2H])c([2H])c([2H])c98)c7[2H])ncnc6c5c4)c3[2H])c([2H])c2[2H])c([2H])c1[2H]"]
["196499685","[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7c([2H])c([2H])c([2H])c([2H])c76)cccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H]"]
["172108529","[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(OS(=O)(=O)C(F)(F)F)cc4ccccc34)c3ccccc23)c([2H])c1[2H]"]
["199170870","[2H]c1cc2c([2H])c([2H])c([2H])c([2H])c2c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c23)c1[2H]"]
["171738802","[2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c(oc5c([2H])c([2H])c([2H])c([2H])c54)c3[2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c([2H])c4c23)c([2H])c1[2H]"]
["200096304","[2H]c1c([2H])c([2H])c(-c2cccc(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4nc5ccccc5n4-c4ccccc4)c4c([2H])c([2H])c([2H])c([2H])c34)c2)c([2H])c1[2H]"]
["196687287","[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6c([2H])c([2H])c([2H])c(C)c6[2H])c5c([2H])c([2H])c43)c([2H])c3c1B2c1c([2H])c([2H])c([2H])c([2H])c1O3"]
["97003924","CSC1=C(SC)SC(=c2sc(=S)c(=C3SCCS3)s2)S1"]
["162758611","CSc1cc(CBr)c2cc(I)sc2c1"]
["128056328","CSc1ccc(C(O)=Nc2ccnn2C(C)(C)C)o1"]
["112720186","CSC1(CN=C2NC(C)(C)CS2)CCCC1"]
["97263042","IC1=CSC(=C2SC3=C(SCCS3)S2)S1"]
["101236388","C[C@@H]1SC(=C2SC3=C(SCCS3)S2)S[C@H]1C"]
["97779206","CSC1=C(SC)SC(=C2SC3=C(CSCc4ccccc4CSC3)S2)S1"]
["66328721","C[N+](C)=C1SCCS1.[Br-]"]
["96601910","c1cnc2c(c1)C(=C1SC3=C(SCCS3)S1)c1cccnc1-2"]
["184267534","CCI1CCSC1=S"]
["81409841","CCC(C(=O)[O-])N1C(=O)C2N=C(SC)SC2=[N+](c2ccccc2)C1=S"]
["111720763","CSc1c(N)nsc1NCC1COCCO1"]
["91647461","B1=C=C=C=C=C=C=C=C=C=C=C=C=NB=NB=NB=N1"]
["97120999","B1=C=C=C=C=C=[B-]=[C+]C#CC#C1"]
["91647488","B1=C=C=C=C=NB=NB=NB=NB=NB=NB=NB=N1"]
["91647443","B1=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=NB=N1"]
["91647482","B1=NB=NB=NB=NB=NB=NB=NC#CC#CC#C1"]
["91187726","B1=NB=NB=NB=N1"]
["91661037","B1=NB=NB=NB=NB=NB=NB=NB=N1"]
["91647428","B1=NB=NB=NB=NB=NB=NB=NB=NB=NB=N1"]
["91661034","B1=NB=NB=NB=NB=NB=N1"]
["91647467","B1=NB=NB=NB=NB=NC#CC#CC#CC#CC#C1"]
["91647476","B1=C=C=C=C=C=C=C=C=NB=NB=NB=NB=NB=N1"]
["91262960","B1=NB=NB2N1B1N=BN=BN21"]
["175723855","[CH2-]CCOCOCC[C-]=CCCI.[Mg+2]"]
["78068926","CCOC[CH]CCOCC"]
["195123495","CCC=[C-]CCOCOC.[Br-].[Mg+2]"]
["25580068","[CH2]COCCOCOCC"]
["53089382","CN=CN=NCCOCOCCN=NC=NC"]
["79558613","[CH2]COCOCCC"]
["172964566","[CH2-]CCC=[C+]N.[In]"]
["132198892","C=CCCOCCN=C(O)C=CSc1ccccc1"]
["33066937","C=C(CCI)COCOCCOC"]
["172907848","C[Si](C)(O)CCCOCOCCC[Si](C)(C)O"]
["187178354","CCC=[C-]CCCCCCC.[I-].[Mg+2]"]
["175220672","ICCCCC=CCCCOCOCOCCCC=CCCCCI"]
["175688653","ClC1C(Cl)C(Br)C2C3NC4[N-]C(NC5NC(NC6[N-]C(NC(N3)C2C1Cl)C1C(Cl)C(Br)C(Cl)C(Br)C61)C1C(Cl)C(Cl)C(Br)C(Cl)C51)C1C(Br)C(Cl)C(Br)C(Cl)C41.[Cu+2]"]
["173005907","O=S(=O)(O)C1CCCC2C3NC4NC(NC5NC(NC6NC(NC(N3)C21)C1C6C(Cl)C(S(=O)(=O)O)C(S(=O)(=O)O)C1S(=O)(=O)O)C1CCCCC51)C1CCCCC41"]
["173579982","ClC1C(Cl)C(Br)C2C3NC(NC4NC(NC5NC(NC6NC(N3)C3C(Cl)C(Br)C(Cl)C(Br)C63)C3C(Cl)C(Br)C(Cl)C(Cl)C53)C3C(Br)C(Cl)C(Br)C(Cl)C43)C2C1Cl"]
["173000895","BrC1CC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3C(Br)C(Br)C(Br)C(Br)C63)C3C(Br)C(Br)C(Br)C(Br)C53)C3C(Br)C(Br)C(Br)C(Br)C43)C2C(Br)C1Br.[Cu+2]"]
["97399831","Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Br)[C@H](Br)[C@H]1Cl"]
["179620307","NCC(Br)C1NC(N)C(Br)C(N2CCCC2)N1"]
["96684806","Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Br)[C@@H](Br)[C@@H]1Cl"]
["100195694","CCOC1CCC(OCC)C2C3NC(NC4NC(NC5NC(NC6NC(N3)C3C(OCC)CCC(OCC)C63)C3C(OCC)C(Cl)C(Cl)C(OCC)C53)C3C(OCC)CCC(OCC)C43)C12"]
["173262292","NCCNS(=O)(=O)C1C2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C(S(=O)(=O)O)C(S(=O)(=O)O)C1S(=O)(=O)O)C1CCCCC61)C1CCCCC51)C1CCCCC41"]
["53381683","C1CCC2C3[N-]C(NC4[N-]C(NC5NC(NC6NC(N3)C3CCCCC63)C3CCCCC53)C3CCCCC43)C2C1.[Na+].[Na+]"]
["54072151","ClC1CCC2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C1Cl)C1C(Cl)C(Cl)C(Cl)C(Cl)C61)C1C(Cl)C(Cl)C(Cl)C(Cl)C51)C1CCCCC41"]
["60451129","ClC1CC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3C(Cl)C(Cl)C(Cl)C(Cl)C63)C3C(Cl)C(Cl)C(Cl)C(Cl)C53)C3C(Cl)C(Cl)C(Cl)C(Cl)C43)C2C(Cl)C1Cl"]
["190258855","C[SiH2][Si]1(C)[SiH](C)[SiH2][SiH2]C([SiH3])C([SiH3])[SiH2][SiH]1C"]
["191417020","C[SiH2]C[SiH](C)C[SiH](C)[SiH]1[SiH2][SiH2][SiH2]C([SiH3])[SiH2][SiH]1C"]
["190683883","C[SiH]1C[Si]2(C)CC([SiH3])C([SiH3])[SiH](C)[Si]2(C)[SiH](C)[SiH]1C"]
["195892176","C[SiH]1[SiH2][SiH2][SiH2]C([SiH3])[SiH2][SiH2]1"]
["195627351","C[SiH2][SiH]1[SiH](C)CC([SiH3])C([SiH3])[Si]1(C)[SiH2]C"]
["191785529","C[SiH2][Si]1(SC)CC([SiH3])C[SiH]1C"]
["79601828","C[SiH]1[SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["78775127","C[SiH]1C2C1[Si]2(C)C"]
["173951749","CCN1[SiH2][SiH](C)[Si](C)(C)N(C)N1C"]
["191504000","C[SiH2][Si]1(C)CC([SiH3])[Si](C)(C[SiH3])[SiH2]1"]
["25688288","C[SiH2][SiH](C)[Si]1(C)[SiH](C)[SiH](C)[Si]2(C)[SiH](C)[Si]3(C)[Si]4(C)[SiH](C)[SiH](C)[Si](C)([SiH](C)[SiH]4C)[Si]3(C)[SiH](C)[Si]12C"]
["195451040","C[SiH]1CC[Si]2(C)CC([SiH3])C([SiH3])[SiH](C)[Si]2(C)[SiH]1C"]
["166681635","CN1NN2N1N1N3NN(N4N(C)N5N6NNN6N54)N3N21"]
["195563489","CCN1N(C)N2NNN3N(NNNNN12)N1N3N2N3N(C)N(C)N3N12"]
["166681633","CN1NN2N1N1N2N2N1N1N3N4N5N(N)NN5N4N3N21"]
["180654013","CCN1NN(C)N1C"]
["173912251","CN1NNN1C"]
["76238912","CC#CC(=O)/C=C(/C)N1NC1(CC)CC"]
["173226843","C=C/C=C(\\CCC)Cc1ccc(N)cc1"]
["195936768","CNNN1NNN1C"]
["107024854","CN1CCN[C@H](c2ncccn2)C1"]
["52514283","CCCN1C=CN(N)N1"]
["169267937","CCN1CC=CCNN1C"]
["177127463","CN1NNCN1P(=O)=O"]
["73581633","OC1=C(Br)C(Br)(Br)C(Br)(c2c(Br)c(Br)c(O)c(Br)c2Br)C(Br)=C1Br"]
["48314658","Cc1c(C)c(Br)c(C)c(Br)c1O"]
["172426359","CC1(Br)C(Br)=C(Br)C(Br)=C(Br)C1Br"]
["101487032","CC(C)(c1ccc(O)cc1)c1c(Br)c(Br)c(O)c(Br)c1Br.CCC(Br)(Br)OC(Br)(Br)CC.CCC(Br)(Br)OC(Br)(Br)CC"]
["59030833","CCC(C)CNCc1cccc(Br)c1O"]
["174963288","CCc1cccc(CC)c1O.O=CO"]
["167523718","CCCCP(Br)(CCCC)(CCCC)c1c(Br)c(O)c(O)c2ccccc12"]
["155959113","CCc1cccc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(O)=N2"]
["73969101","Cc1c(C)c(C)c(-c2c(O)ccc(Br)c2Br)c(O)c1C"]
["159256625","Oc1c(Br)c(Br)c(Br)c(Br)c1Br.Oc1ccc(Br)c(Br)c1Br"]
["127023236","CC(N(C)Cc1cccc(Br)c1O)C1(C)CC1"]
["48654580","Cc1c(O)c(Br)c(Br)c(C)c1Br"]
["100855971","N1=[SH]c2nc3nsnc3nc2S1"]
["76825812","O=C1N=NC(=O)c2nsnc21"]
["174076905","CC.Cc1nsnc1I"]
["107624381","Cc1nsnc1[C@H](N)CO"]
["183038385","CN(C)CCCOc1nsnc1N=[N+]=[N-]"]
["181987068","CCCCCOc1nsnc1I"]
["75403438","Cc1nsnc(C)c1=O"]
["161316360","Fc1cc(F)nc(F)n1.c1cncnc1"]
["197683835","F[B-](F)(F)c1cccc2nsnc12.[K+]"]
["182871980","[N-]=[N+]=Nc1ccc2nsnc2n1"]
["161895255","n1s[nH]snc2c1SNS2"]
["195724949","C=C(N)c1nsnc1C"]
["83280808","SC12B=BB=BB=B[B-]#[B-]C(S)([B+]1)[B+]2"]
["171699784","B1=BB=[B-]=BB=BC2(c3ccccc3)[B+]C2(c2ccccc2)B=B1"]
["96493824","CCN(CC)CCCC1[B-]2=BC1(C)B=BB=BB=B[B+]2"]
["174989939","SC1=C(S)C(S)=C(S)C(S)(S)C(S)=C1S"]
["110605150","OCC[C@H]1B2[B][C@]1(CCO)B=BB=BB=BB=B2"]
["183594865","[N-]=N[N-]C12B=B[B+]B=BB=BC(B=B1)[B+]2"]
["80047129","O=C(O)C12B=BB=BB=B[B-]#[B-]C(C(=O)O)([B+]1)[B+]2"]
["165206212","CN(C)CCC1[B-]2=BC1(C)B=BB=BB=B[B+]2"]
["102883097","BrC[C@]12B=BB=BB=[B-]=BB=B[C@@H]1[B+]2"]
["44863612","CC(C)C12B=BB=BB=[B-]=BB=BC1[B+]2"]
["110605153","S[C@H]1B2[B][C@@]1(S)B=BB=BB=BB=B2"]
["102806413","C[C@@]12B=BB=BB=[B-]=BB=B[C@@H]1[B+]2"]
["56140201","O=S1CC2C[C@@H](O)[C@@H]3[C@H](O)[C@H](O)CN3C2C1"]
["144433818","CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N3CCS(=O)CC3)cc2)C1"]
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["172670063","Cn1nc2c(c1C(=O)N1C[C@H]3C[C@@H](n4cccn4)[C@H](O)C[C@H]3C1)CCCC2"]
["69886389","O=C(O)C1CC(O)C(O)C(C(O)CS)O1"]
["53751548","O=CC1CC(O)CN1C=O"]
["76239669","[1CH]1=[1C]([1c]2[1cH][1cH][1cH][1cH][1cH]2)S[1C]([1c]2[1cH][1cH][1cH][1cH][1cH]2)=[1CH][1C]12[1c]1[1cH][1cH][1cH][1cH][1c]1-[1c]1[1cH][1cH][1cH][1cH][1c]12"]
["76239680","[1O]=[1C](Cl)[1c]1[1cH][1c](Cl)[1c]2[1c]([1cH]1)[1C]([1c]1[1cH][1cH][1cH][1cH][1cH]1)=[1CH]P(=[1O])(Cl)[1O]2"]
["76239753","[1CH]1=[1C]([1c]2[1cH][1cH][1cH][1cH][1cH]2)[1O][1C]([1c]2[1cH][1cH][1cH][1cH][1cH]2)=[1CH][1C]12[1c]1[1cH][1cH][1cH][1cH][1c]1-[1c]1[1cH][1cH][1cH][1cH][1c]12"]
["76239898","[1CH3][1N]1[1C](=[1O])[1CH2][1N]=[1C]([1c]2[1cH][1cH][1cH][1cH][1c]2Cl)[1c]2[1cH][1c](Cl)[1cH][1cH][1c]21"]
["76239879","[1CH3][1O][1C]1=[1C]([1c]2[1cH][1cH][1cH][1cH][1cH]2)[1C](=[1O])[1O]/[1C]1=[1CH]\\[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239645","[1CH3][1CH2][1O][1C](=[1O])[1CH2][1CH2][1C]1([1CH2][1CH2][1C](=[1O])[1O][1CH2][1CH3])[1c]2[1cH][1cH][1cH][1cH][1c]2-[1c]2[1cH][1cH][1cH][1cH][1c]21"]
["76240016","[1O]=[1C]([1c]1[1cH][1cH][1cH]s1)[1N]1[1N]=[1C]([1c]2[1cH][1cH][1cH][1cH][1cH]2)[1CH2][1C]1([1OH])[1C]([1F])([1F])[1F]"]
["76239720","[1O]=[1C]1[1O][1C]([1c]2[1cH][1cH][1cH][1cH][1cH]2)=[1CH]/[1C]1=[1CH]\\[1c]1[1cH][1cH][1c]2[1c]([1cH]1)[1O][1CH2][1O]2"]
["76239810","[1cH]1[1cH][1cH][1c]2s[1c](-[1c]3[1cH][1c](-[1c]4[1n][1c]5[1cH][1cH][1cH][1cH][1c]5s4)[1cH][1c](-[1c]4[1n][1c]5[1cH][1cH][1cH][1cH][1c]5s4)[1cH]3)[1n][1c]2[1cH]1"]
["76239907","[1CH3][1CH2][1O][1C](=[1O])[1C]1([1CH2]/[1CH]=[1C](\\[1CH3])[1CH2]Br)[1C](=[1O])[1c]2[1cH][1cH][1cH][1cH][1c]2[1N]([1CH3])[1C]1=[1O]"]
["76239842","[1CH3][1N]1[1CH2][1CH2][1C]2([1CH2][1CH2]1)[1CH2][1CH]([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1N]=[1C]([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1O]2"]
["76240007","[1CH3][1C]#[1C][1C@@]1([1OH])[1c]2[1cH][1cH][1cH][1cH][1c]2[1CH2][1C@@]1([1CH3])[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["173995063","[B+]C([B+])([B+])O[C-]1[CH-][C-](Cl)[N-][N-][C-]1OC([B+])([B+])[B+]"]
["173873502","[B+]C([B+])(F)C([B+])([B+])C([B+])([B+])O[C-]1[CH-][CH-]C(=S=C2CC[C-](Cl)[C-]=C2N)C(=CN(C)C)[CH-]1"]
["175203147","[B]C([B+])([B+])C([B])(C([B+])([B+])[B+])C([B])([B])C1CN2CC[C-]3[CH-][C-](OC([B+])([B+])[B+])[C-](OC)[CH-][C-]3C2C[C-]1[O-]"]
["173681523","[B+]C([B+])([B+])O[C-]1[C-](O)[C-](C)[C-](CCC)[C-](O)[C-]1OC([B+])([B+])[B+]"]
["173932893","[B]C1([B])C([B+])([B+])C1([B+])N=C(O)[C-]1[C-](OC(F)F)[CH-][C-](Br)[CH-][C-]1OC([B+])([B+])[B+]"]
["173689718","[B]C([B+])(N=C(O)OC[C-]1[CH-][CH-][CH-][CH-][CH-]1)C([B+])([B+])OC([B+])([B+])[B+]"]
["174117487","[B+]C([B+])([B+])OC1=N[CH-][N-][C-](OC([B+])([B+])[B+])C1=C1CC2=C[C-]([N-]C(O)=C3C[C@@H]3F)[N-]C=C2N1C"]
["176117085","CC.[B]C([B+])([B+])C([B])(C([B+])([B+])[B+])C([B])([B])C1CN2CC[C-]3[CH-][C-](OC)[C-](OC([B+])([B+])[B+])[CH-][C-]3C2C[C-]1[O-]"]
["173897099","[B]C([B+])(O[C-]1[CH-][N-][C-](Cl)[C-](F)[CH-]1)C([B+])([B+])OC([B+])([B+])[B+]"]
["173693699","[B]C1([B])[C-]([O-])C([B])(C([B])([B])C([B])(C([B])([B])[B])C([B+])([B+])[B+])C([B+])([B+])N2CC[C-]3[CH-][C-](OC)[C-](OC([B+])([B+])[B+])[CH-][C-]3C21"]
["175203138","[B]C1(CC(C)C)CN2C([B+])([B+])C([B])([B])[C-]3[CH-][C-](OC([B+])([B+])[B+])[C-](OC)[CH-][C-]3C2([B+])C([B+])([B+])[C-]1[O-]"]
["173699569","[B]C(O[C-]1[CH-][CH-][C-](Br)[CH-][N-]1)(C([B+])([B+])[B+])C([B+])([B+])[B+]"]
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["100908660","FC(F)(F)C12c3c4c5c6c1c1c7c8c6c6c5c5c9c4c4c3c3c%10c%11c4c4c9c9c5c5c6c6c8c8c7c7c%12c%13c8c8c6c5c5c9c6c4c%11c4c9c6c5c8c%13c9c5c4c%10c4c(c5%12)c7c1[c+]2c34"]
["96538148","ClC(Cl)C12c3c4c5c6c1c1c7c8c6c6c5c5c9c4c4c3c3c%10c%11c4c4c9c9c5c5c6c6c8c8c7c7c%12c%13c8c8c6c5c5c9c6c4c%11c4c9c6c5c8c%13c9c5c4c%10c4c(c5%12)c7c1[c+]2c34"]
["96746237","c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1[c+]1c6c2c3[o+]41"]
["96902922","ClCC(Cl)(Cl)C12c3c4c5c6c1c1c7c8c6c6c5c5c9c4c4c3c3c%10c%11c4c4c9c9c5c5c6c6c8c8c7c7c%12c%13c8c8c6c5c5c9c6c4c%11c4c9c6c5c8c%13c9c5c4c%10c4c(c5%12)c7c1[c+]2c34"]
["96961032","ClCC12c3c4c5c6c1c1c7c8c6c6c5c5c9c4c4c3c3c%10c%11c4c4c9c9c5c5c6c6c8c8c7c7c%12c%13c8c8c6c5c5c9c6c4c%11c4c9c6c5c8c%13c9c5c4c%10c4c(c5%12)c7c1[c+]2c34"]
["96718619","ClC(Cl)(Cl)C12c3c4c5c6c1c1c7c8c6c6c5c5c9c4c4c3c3c%10c%11c4c4c9c9c5c5c6c6c8c8c7c7c%12c%13c8c8c6c5c5c9c6c4c%11c4c9c6c5c8c%13c9c5c4c%10c4c(c5%12)c7c1[c+]2c34"]
["171304816","C[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-]"]
["194477120","CC(C)(C)[Si](C)([O+]=[Si-][O+]=[Si-][O+]=[Si-])C(C)(C)C"]
["99713423","CCCN(C)C.[Si-]=[O+][Si][O+]=[Si-][O+]=[Si-]"]
["99549011","[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si+]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=C1[C-]=CC(OCC2CO2)C=C1"]
["99815139","CC(C)(O)CC[Si](C)(C)O[Si](O[Si](O[Si](C)(C)CCC(C)(C)O)(O[Si](C)(C)CCC(C)(C)O)O[Si](O[Si](C)(C)CCC(C)(C)O)(O[Si](C)(C)CCC(C)(C)O)O[Si](O[Si](C)(C)CCC(C)(C)O)(O[Si](C)(C)CCC(C)(C)O)O[Si](C)(C)CCC(C)(C)O)[O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-]"]
["63661656","CC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.[Si][O+]=[Si-]"]
["99251992","[Si-]=[O+][Si-]=[O+]CCl"]
["62176516","OC[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si-]CO"]
["99617919","C[Si-]C(C)[Si+](C)[O+]=[Si-]"]
["172303110","C[Si](C)(C)O[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si](C)(C)C"]
["66578124","C[C+](C)C(=[Si-][O+]=[Si-])[Si](C)(C)[O+]=[Si-]"]
["172521996","CCCCCCCCCCCCCC[Si-]=[O+][Si][O+]=[Si-][O+]=[Si-]"]
["173123202","Fc1c(F)c(P)c(F)c(B(c2c(F)c(F)c(F)c(P)c2P)c2c(F)c(F)c(P)c(P)c2P)c1F"]
["24962994","C[Si](C)(C)CCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["164486127","Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)[Si](CCl)(CCl)CCl)c(F)c1F"]
["147876327","CS(=O)(=O)P(c1cccc2c1oc1c(B(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)cccc12)S(C)(=O)=O"]
["99501059","CCCCCCCCCCCc1ncc(-c2ccc([O-])cc2)[nH]1.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["147681225","CC(C)(C)c1c(F)c(F)c(B(c2ccc3c(c2)Sc2cccc4c2c-3cc2ccc(B(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(C(C)(C)C)c(F)c3F)cc24)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["33791928","O=Cc1ccccc1B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["78646712","CSSc1c(F)c(F)c(B(O)O)c(F)c1F"]
["194737591","Cc1c(P)c(F)c(F)c(F)c1C(F)(F)F"]
["97250952","CC(C)(C)P(CB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C(C)(C)C"]
["170608651","Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)N2CCCCC2)c(F)c1F"]
["147815935","Fc1c(F)c(F)c(B(C#CSC#CB(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["96601242","C1=NC(=NC2=NC=NC(=NC3=[N+]C=[N+]C=[N+]3)[N]2)[N]C([N]C2=NC=NC(=NC3=NC=[N+]C=N3)[N]2)=N1"]
["81342271","[N-]=[N+]=NC1(CO)OC(N2C=CC3C(=O)N=CN=C32)C(F)C1O"]
["81542581","COC1=NC(=O)C(=Nc2nc(CC3N=CC(OC)=NC3=O)nc(N=C3N=CC(OC)=NC3=O)n2)N=C1"]
["97328446","C1=NC(N=C2[N]C(=NC3=NC=[N+]C=N3)[N]C(=NC3=NC=[N+]C=N3)[N]2)=NC=[N+]1"]
["97657710","[N]=C1[N]C(N=C2[N]C([N]C3=NC=[N+]C(=NC4=[N+]C=[N+]C(=[N])[N]4)[N]3)=NC=N2)=[N+]C=[N+]1"]
["97242784","[N]=C1N=C([N]C2=NC=[N+]C=N2)[N]C([N]C2=[N+]C=[N+]C=N2)=N1"]
["162299981","CC1CCCCN1C1=NC=NC(=O)C1Br"]
["76189260","C1=NC(c2nccnn2)=NC=[N+]1"]
["162299978","CC1CCCN1C1=NC=NC(=O)C1I"]
["96936132","[N]=C1[N]C=[N+]C=N1"]
["96988971","C1=NC(=NC2=NC=[N+]C=N2)[N]C([N]C2=NC=NC(=NC3=[N+]C=[N+]C=N3)[N]2)=N1"]
["79705938","ON=C1C=[N+]C=N1"]
["64080195","Cl[Si](Cl)(B1[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl)[B-]1=[Si+][Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["84018366","Cl[Si](Cl)(Cl)C1[Si](Cl)(Cl)C([Si](Cl)(Cl)Cl)[Si]1(Cl)Cl"]
["191503998","C[Si]1(Cl)CC[Si](C)(Cl)[Si]1(Cl)[Si](Cl)(Cl)Cl"]
["84018367","Cl[Si](Cl)(Cl)C1([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)C([Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)[Si]1(Cl)Cl"]
["199369980","Cl[Si](Cl)(Cl)[Si]1([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)[Si@](Cl)([Si]([Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)[Si@@]2(Cl)[Si](Cl)(Cl)[Si]([Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)[Si@@](Cl)([Si](Cl)(Cl)Cl)[Si]2(Cl)Cl)[Si](Cl)(Cl)[Si@]1(Cl)[Si](Cl)(Cl)Cl"]
["26391750","Cl[Si](Cl)(Cl)C1[Si](Cl)(Cl)C=C[Si]1(Cl)Cl"]
["91471918","Cl[Si](Cl)(Cl)N1[Si](Cl)(Cl)N([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)N([Si](Cl)(Cl)Cl)[Si]1(Cl)Cl"]
["193358883","C[Si]1([Si](Cl)(Cl)Cl)CCC[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["193358884","Cl[Si](Cl)(Cl)[Si]1(Cl)CCC[Si](Cl)(Cl)[Si]1(Cl)[Si](Cl)(Cl)Cl"]
["170467971","Cl[Si](Cl)(Cl)N1[Si](Cl)(Cl)N([Si](Cl)(Cl)Cl)[Si]1(Cl)Cl"]
["198114153","CC1CN([Si](Cl)(Cl)Cl)[Si](Cl)([Si](Cl)(Cl)Cl)N1[Si](Cl)(Cl)Cl"]
["193358882","Cl[Si](Cl)(Cl)[Si]1(Cl)CCC[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["192260021","O=S([O-])CCCC[Se][Se]CCCC[Se](=O)O.[Na+].[Na+]"]
["180467492","CN(C(=O)C1CC=CCC1O)S(=O)[O-]"]
["194606337","C.O=S([O-])CCS(=O)(=O)COC[O-].[Li+]"]
["64998186","CNc1ccc(S(=O)[O-])cc1"]
["197143751","O=S([O-])CCC(F)(F)Cl.[Na+]"]
["179197478","CCC[N+](C)=CCS(=O)[O-]"]
["58982443","CSSCCS(=O)[O-]"]
["33091046","CCCCCCC[Se][Se]CCCCCCC"]
["60920234","O=Cc1ccc(C(=O)NCCS(=O)[O-])cc1"]
["175694256","CC(=O)CCCCCCCC(=O)[O-].[Na+]"]
["51746351","CCCCS(=O)CCCCC(C)=O"]
["177135666","CB(O)N1CCNC[C@@H]1CCS(=O)[O-]"]
["196498956","[C-]#CC#CC#C[C-]=C=C=C=C=C=C=C=C"]
["81640922","C=C=C=C=C=C=C=C=C=C=C=C=C=CC=CCC"]
["65798468","C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@H](C)[NH3+]"]
["98725541","C=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](OC(=O)C(F)(F)F)C(C)C"]
["61980786","C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@@H](N)CC"]
["171992816","C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(c1cc(C)ccc1C)S(=O)(=O)O"]
["59538641","[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C"]
["172210165","[C-]#CC#CC#CC#CC#CC#CC#CC#CC.[Ir]"]
["57297131","C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)CS(=O)(=O)O"]
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["195314201","[O-]N1ON([O-])C12N([O-])ON2[O-]"]
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["91627612","FC1(F)N2C(F)(F)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C(F)(F)C2(F)C(F)(F)C1(F)F"]
["62912676","FC(F)(F)N1N(C(F)(F)F)C(F)(F)C1(F)F"]
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["185378027","Cc1cc[c-](C)c1.Cc1cc[c-](C)c1.[V+2]"]
["25142637","S=CCC1OC2OC3C(CC=S=S)OC(OC4C(CC=S=S=S)OC(OC1C(C=S=S=S=S)C2C=S=S=S=S=S)C(C=S=S=S=S=S=S=S=S=S)C4C=S=S=S=S=S=S=S=S)C(C=S=S=S=S=S=S=S)C3C=S=S=S=S=S=S"]
["192602307","C[C@H]1CCC2=C1CC[C@H](C(C)(C)O)C[C@@H]2C.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S"]
["79874252","S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S(=S)=S"]
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["98864498","CC#CC(=O)O.S=S=S=S=S=S=S=S=S=S"]
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["60240681","S=S=S=S=S=S=S=S=S=S=S=S=S=S"]
["148660663","B=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S"]
["98603246","CC(=O)C(C)OP.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S"]
["56049327","C[C@H]1CC(O)[C@@H](CC=S)O1"]
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["59160497","S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S"]
["67778096","[147Pm]"]
["175671665","[124In]"]
["34167088","[94Ru]"]
["83160367","[B+]=C=[Si-]"]
["68607768","N#[N+]Cl"]
["1105306","[Be+2]"]
["175672636","[257Lr]"]
["67041771","[Be+2].[Mg+2]"]
["79843645","CCl.[Hf]"]
["175531715","Cl[Se].[Hg]"]
["48633327","[Au+].[Be+2]"]
["190675409","CCl.F"]
["78164890","CCl.[U]"]
["190452782","CCl.P"]
["84168479","[CH2]Cl.[CH3].[Hg]"]
["79534584","CCl.Cl.Cl"]
["103018874","[CH2]Cl.[F-].[Mn]"]
["195818705","C#[N+]O[NH+]([O-])N[N+](ON)(ON)ON"]
["171404251","CCONC(=O)C(=O)CC"]
["195449317","C[N-][NH+](O)[NH+]([O-])ON"]
["78377480","O=C(O)c1ccc(ONC(=O)c2cccs2)c([NH+]([O-])O)c1"]
["195994272","NO[NH+]([O-])c1ccccc1"]
["184562699","C[N+](C)(C)ON"]
["161839712","NOC1C=[P+]1[O-]"]
["195492746","CNO[NH+]([O-])c1ccc(ON)cc1"]
["195603819","CC(C)ONO[NH+]([O-])C(C)C"]
["195318450","CC(N)O[NH+]([O-])C(C)C"]
["195401578","CNC(C)(C)O[NH+](N)[O-]"]
["195464182","C[NH+]([O-])N[N+](N)(N)c1ccccc1"]
["175671612","[119Ag]"]
["175671926","[150Gd]"]
["97657587","[SeH]/C=C\\[SeH]"]
["175671922","[150Ba]"]
["46760303","[86Zr]"]
["194475907","[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Br-]"]
["163952404","[2H]C([2H])([2H])C([2H])([2H])C[C@H](N)C(=O)O"]
["42218976","[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+]1([O-])CCCCC1C(O)=Nc1c(C)cccc1C"]
["172401809","[2H]c1nc(C([2H])([2H])C([2H])([2H])[2H])sc1N"]
["194475890","[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)O"]
["161474941","[2H]C([2H])([2H])[N+](C[C@H](O)CC(=O)[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H]"]
["97741448","[2H]C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]"]
["170031045","[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])c1cc(C(=N)S)ccn1"]
["170915717","[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\\C/C=C\\CCCC(=O)O"]
["181550040","[2H]C([2H])(C)CC(N=[N+]=[N-])(C([2H])([2H])CC)C(CC([2H])([2H])C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]"]
["96565012","[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=N[C@H](Cc1ccccc1)C(=O)N1C(=O)O[C@@H](C)[C@@H]1C(=O)OCc1ccccc1"]
["69955516","Cl.[2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)C(C)CC"]
["60769796","[V+2].[V+2].[V+2]"]
["44339432","[In+3].[V+2].[Zr+2]"]
["200576138","[Gd+3].[V+2]"]
["49632509","[Cr+2].[Fe+2].[V+2]"]
["63004573","[C-]#C.[V+2]"]
["23808998","[Cl-].[Cl-].[V+2]"]
["49212302","[Al+3].[Ni+2].[V+2]"]
["65783728","[Al+3].[V+2].[Zr+2]"]
["172090881","P.[V+2]"]
["43794218","[Re].[V+2]"]
["59192191","[Ca+2].[V+2]"]
["67902484","[Pt+2].[V+2]"]
["179741782","[CH2-][C-]1CN[I]CC[I]C1"]
["178367105","[CH2-][C-]1C[Br+]C1"]
["179508969","[N-]=C=C1C=INCC1"]
["180655506","[CH2-][C-]1CC[I+]CC1"]
["178933310","CC1=INC[C-]1C"]
["195899152","C[C-]1C[I]CC[I]1"]
["184237896","CCC1=C=C2[I]CB=N[C-]2NC1"]
["180558474","[CH2-]CC[C-]1CNC1.[Y]"]
["171431713","[CH2-]C(C[C-]1CNC1)C(C)(C)C.[Y]"]
["171969064","[CH2-][C-]1CCN[Cl+]C1"]
["178531072","[CH2-][C-]1[I]CC[I]1"]
["4626093","C[N+](C)(C)C12CCN(CC1)CC2"]
["34452715","[143Ce]"]
["44918710","O.[3H]F.[Mn]"]
["170467133","[2H][B-]([2H])([2H])[2H].[K+]"]
["191873629","F.F.[3H]F"]
["44053302","[3H]F"]
["193379102","C.C.[3H]F"]
["45162684","[2H][B-]([2H])([2H])[2H].[Li+]"]
["190147550","[3H]F.[3H]F.[3H]F"]
["190665670","[3H]F.[3H]F"]
["23687238","[2H][B-]([2H])([2H])[2H].[Na+]"]
["172189510","[3H][18F]"]
["193990713","[3H]F.[B]"]
["175671111","[56Sc]"]
["175672252","[182Tl]"]
["33500789","[151Tb]"]
["79409812","[111N]"]
["175672534","[234Ac]"]
["79493024","[139Au]"]
["175671562","[114I]"]
["79532101","[Cd+4].[O-2].[O-2]"]
["56725284","[178Yb]"]
["79884276","[155Pb]"]
["175672087","[164Yb]"]
["175713290","[CH]=N[O-].[In+].[In]"]
["79646457","[162Pb]"]
["161816844","[CH]=N[O-].[H].[Sb]"]
["45081159","[CH]=N[O-]"]
["68326971","[88Zr]"]
["79682961","N[I+]N"]
["175671852","[142Dy]"]
["175672214","[177Os]"]
["173635844","S=[AsH].[H-].[Li+]"]
["78225495","S=[AsH].[Co]"]
["175670892","[17F]"]
["145663051","S=[AsH].[Li+]"]
["78942160","S=[AsH].[Cu]"]
["78277710","S.S=[AsH].[Zn]"]
["79223600","S=[AsH].[Au]"]
["79314833","S=[AsH].[Ni]"]
["175671977","[154Hf]"]
["79031641","S=[AsH]"]
["79400998","S=[AsH].[Ag]"]
["43271080","F.F.F"]
["145546996","F.N.[Cu]"]
["172867049","F.I.[U]"]
["172769902","F.O.[Ar]"]
["79631111","F.[Ni]"]
["79025652","F.[Ca+2].[U]"]
["68570975","F.N.[Mg+2]"]
["176235605","Cl.F.[Ge]"]
["79231578","F.[Ba].[Co]"]
["159864952","F.[Si].[Si]"]
["78598987","F.[O].[Zr]"]
["99781737","F.[CH3-].[Zn]"]
["32343455","[Np+3]"]
["177431736","[B-3].[Ce+3]"]
["176941316","[B-3].[Cr+3]"]
["187366348","[B-3].[Gd+3]"]
["91057773","[ClH+].[ClH+].[Li+]"]
["1101112","[B-3]"]
["55838761","[2H]P([2H])P([2H])[2H]"]
["23056331","[B-3].[B-3].[Mo+6]"]
["79720928","[148W]"]
["67063489","[196Pb]"]
["175672495","[226U]"]
["174887996","[196Pb].[H].[H]"]
["54418289","[233Np]"]
["185384012","[Ru+5]"]
["175671473","[104Sn]"]
["97841496","[2H]/C=C\\[2H]"]
["83235977","[2H]/C=C/[2H]"]
["50590542","[2H]C=C[2H]"]
["56804770","[2H]C=N"]
["175670900","[20C]"]
["51198012","[nH]1oo1"]
["34480937","[121I][121I]"]
["161763899","BrOI.[Bi]"]
["58202661","[O-]n1oo1"]
["64494678","BrOI"]
["185008244","[13NH4+]"]
["175672257","[183Au]"]
["65648460","[235Np]"]
["52332038","[194Pb]"]
["173623558","[194Pb].[H].[H]"]
["97199204","[C+]1CCC1"]
["175670933","[25Si]"]
["174694664","[25SiH4]"]
["175672152","[170Ho]"]
["175671687","[126La]"]
["79586595","[Li+].[Li+].[NH-]CC[NH-]"]
["26959354","[NH]C[NH]"]
["33594786","[Cu+2].[NH-]CC[NH-]"]
["193076129","[I-].[SiH3][PH3+]"]
["33870423","[NH-]CC[NH-].[Pd+2]"]
["194236834","P[PH3+].S.[PH4+]"]
["145683483","[NH-]CC[NH-].[Ru+2]"]
["189300741","[Lv]"]
["32176454","[NH-]CC[NH-].[Sr+2]"]
["51275533","[Cu+2].[NH-]CC[NH-].[NH-]CC[NH-]"]
["101843599","[NH-]CC[NH-].[Pt+2]"]
["33378109","[132IH]"]
["56409578","[2H][I-]I"]
["57082678","[2H][I-]I.[K+]"]
["43988490","[C+]1CC1"]
["168459102","[Si]1=[Si]=P2=[Si]3P4[Si]#[Si][Si]4P3[Si]=12"]
["168459105","[Si]1#[Si]P2[Si]1=P1=[Si]2[Si]#[Si]1"]
["79163387","[39SH2]"]
["175671875","[145Cs]"]
["46709419","C=[Si-]"]
["197747992","C=[Si-].C=[Si-].[Pt+2]"]
["49564767","[3H][NH3+]"]
["84061651","C=[Si-].[Br-].[Mg+2]"]
["161882006","C=[Si-].[Co]"]
["170927378","C=[Si-].[Li+]"]
["79658538","C=[Si-].[Na+]"]
["173202561","C=[Si-].[V]"]
["172651387","C=[Si-].[Pt]"]
["161755366","C=[Si-].[Fe]"]
["161714191","C=[Si-].[K+]"]
["100709072","[90NH3]"]
["79146029","P1PPP1.[Na+]"]
["51756070","P1PPP1"]
["79781905","[242Pb]"]
["33743388","[212Bi]"]
["79927482","[92W]"]
["79954491","[56C]"]
["79705638","BP=C"]
["154680026","C1=CC2C3=C(CC4C(=C3)C3C=CCCC3C43C4=C(CCC=C4)C4=C3C=CC(C3=CC(C5CCCCC5)=NC(C5C=CCCC5)N3)C4)C3CCCCC3C2C=C1"]
["195519675","CC1=CC(C2(c3cccc(N(c4cccc(C)c4)C4CCC5C=Cc6c(N(c7cccc(C)c7)c7cccc(C8(c9cccc(C)c9)C9=C(CCC=C9)c9ccccc98)c7)ccc7ccc4c5c67)c3)c3ccccc3C3C=CC=CC32)=CCC1"]
["150194066","C1=CC2C=CC3=C(C=C(C4=CC5=C(C=C(C6=CC=C7C8=C(C=C(C9=CC=C%10C=CC%11C=CC=CC%11C%10C9)CC8)C8C=CC=CC8C7C6)CC5)CC4)CC3)C2C=C1"]
["176697510","CC1(C)OB(C2CC=CC3=C2Oc2ccccc2C32C3C=CC=CC3C3C=CCCC32)OC1(C)C"]
["77974282","CCc1cc(Br)c2c(c1)C(NCCCNC1=CC(=O)C3C=CC=CC3=N1)CCN2"]
["190726584","C#CC1C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@H]2C1O"]
["170769389","C1=CC2SC3=CCCCC3C3(C4=C(CCCC4)C4C=CC(C5C=CC(C6=NC(C7CCCCC7)CC(C7CCCCC7)N6)CC5)CC43)C2CC1"]
["170261157","CC1(C)C2=C(C=C(c3ccccc3)C(C3C=CC=CC3)C2)C2C=CC(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)=CC21"]
["177209214","CCCCC1NCC2=C(CNC(CCCC)C3CCCCC3CCC3CCC=CC31)C1CCCCC1C1CC(C3CCCCC3)CC(C)N21"]
["MCULE-7490232909","OC(=Nc1nnc(C2CCCCC2)s1)C1Cc2ccccc2CN1"]
["161271294","CC1(C)C2C=NC=CC2Cc2c3c(n(C4=CCC(C5C=CC=CN5)c5ccccc54)c2C2C=CC=CC21)C=CCC3"]
["30749506","CC(C)N=C(O)C1=CCC2(CCN(C3CC4CCCCC43)CC2)C2=C1CCC=C2"]
["101028335","ClC1=CBC=C(Cl)[As]1C#[As]1C(Cl)=CBC=C1Cl"]
["172518584","Clc1ccc(C(OC(c2ccc(Cl)c(Cl)c2)C2CO2)C2CO2)cc1Cl"]
["151989153","Fc1ccc(-c2ccc(F)c(Cl)c2)cc1Cl"]
["162206925","N#CCc1cc(Cl)nc(C#N)c1C(F)F"]
["98020788","N=C=C1C=C(Cl)C=N1"]
["168474371","ClC1=CB=CC(Cl)=[As]1=C=[As]1=C(Cl)C=BC=C1Cl"]
["147823801","N#CC(C#N)c1cc(Cl)nc(-c2ccccc2)n1"]
["32899210","O=c1c(Cl)c(Cl)cnn1-c1nncc(Cl)c1Cl"]
["164173188","NC[C@@H](C=O)OCc1ccc(Cl)cc1"]
["119921236","Cc1cc(C)nc(Sc2cc(C#N)cc(Cl)n2)c1"]
["44321734","Clc1cc2cccccc-2c1"]
["61590429","N#Cc1ccc(-c2ccc(F)cc2)cc1Cl"]
["66856556","O=[Si-]O[Si](O[Si]#[O+])(O[Si]#[O+])O[Si](O[Si]#[O+])(O[Si-]=O)O[Si-]=O"]
["4831914","Cc1nc(COc2ccc(C(=O)[NH2+]CCCN(C)C3CCCCC3)cc2)no1"]
["69439492","COc1ccc(Br)cc1C=C1C(=O)ON=C1C"]
["9826547","CC1=NOC(=O)/C1=C\\c1ccc(OCc2ccc(Cl)cc2)cc1"]
["12948146","CCOC(=O)C(=CC(CC)(C(=O)OCC)C(=O)OCC)C(=O)OCC"]
["100808994","COC1=N[N]C(C)=C1Br"]
["144780115","CCOC(=O)C1=NS(=O)(=O)C(C(=O)O)=C1"]
["25552626","CC(=O)O[Si](OC(C)=O)(OC(C)=O)O[Si](OC(C)=O)(OC(C)=O)OC(C)=O"]
["175734190","C.CC=C1[N-]C=Cn2c1nc(C(=O)OC)c2Br.[V]"]
["26249961","COC(=O)C=Nc1nc(Br)nc(Br)n1"]
["83624691","CC1=NOC(=O)C1=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1"]
["175034163","CCCCCCC[Si](OC)(OC)OC.O=CS"]
["43833825","[B]1BBBBC2BBBBC12.[B]1BBBBC2BBBBC12.[Co]"]
["61825143","CCCCC1CC[Si](C)(C)[Si](C)(C)O1"]
["66931937","[B]1BBBBC2BBBBC12"]
["57602092","C[Si]1(C)CCC(CCCC(=O)O)O[Si]1(C)C"]
["23150031","B1BBC2BBBBC2BB1.NN=C(NN)NN"]
["154097969","S[C@]12BBBBBBBBB[C@H]1B2"]
["48837690","B1=[BH-]BBBC2BBBBC12.[Cs+]"]
["68433311","CCCCC1CC[Si](C)(C)[Si](C)(C)O1.N"]
["175334161","C[Si]1(C)CCC(CCCCC2CO2)O[Si]1(C)C"]
["154097960","B1BBBB[C@@H]2B[C@H]2BBBB1"]
["154566121","B1=C2BBBB[C@@H]2BBBB1"]
["24700842","B1BBC2BBBBC2BB1.CCN(CC)CC"]
["195295755","[CH2-][C-]([O-])OI1CCC[I+]1.[Zn]"]
["78282956","O=P([O-])(OC1CCCC1)OC1CCCC1.O=P([O-])(OC1CCCC1)OC1CCCC1.[Ni+2]"]
["178184520","CCO[C-]([O-])C1CCC[I+]1"]
["179182549","CCCCC1=C([C-]([O-])OCC)NC(C2SCC[I+]2)O1"]
["178966857","CO[C-]([O-])C1(C)CCC[I+][C@]1(C)I"]
["195295756","C[C-]([O-])OI1CCC[I+]1"]
["180592977","CN1C([C-]([O-])C(C)(C)C)[I+]C2CCCSC21"]
["195378135","[O-][C-](CC1CCC[I+]1)OI"]
["180949804","[O-][C-](OC1(C2CCCCC2)CCCC1)C1(C23NI2N3)N[I+]1"]
["178698828","[CH2-][C-](C)C1CCC[I+]C1"]
["178268341","C[I+]C([C-]([O-])OC1(C)C2CCC1(C)C2(C)C)C12NI1N2"]
["179567340","[O-][C-](OCCI)C1CCCC[I+]1"]
["183937310","C1=[SiH][SiH]=[SiH]CC[SiH2]C1"]
["79478140","C1=C[SiH]=[SiH]CC1"]
["78277959","C1=[SiH]CCC1.[SiH4]"]
["78277962","C1=[SiH]CCC1.[Si]"]
["MCULE-3035362505","Cc1nn(C)cc1-c1cc(C(=O)N2C[C@H]3CN(C(=O)CC(F)(F)F)C[C@H]3C2)no1"]
["79121520","C1=[SiH]CCC1"]
["174719558","C1CC[SiH2]CC1.c1ccccc1"]
["78982793","C1=[SiH]CC[SiH2]C1"]
["150183933","C1C[SiH][SiH2]C1"]
["175725207","C1=[SiH][SiH]=[SiH][SiH2]1.[Na+]"]
["156387613","CC(C)C1=CC[SiH2]CC1"]
["58504166","C1=[SiH]CC1"]
["195196756","O=c1c2cc3c(=O)n(CC#CCO[N+](=O)[O-])c(=O)c3cc2c(=O)n1C#CO[N+](=O)[O-]"]
["MCULE-4378589977","COc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1[N+](=O)[O-]"]
["2830564","C[C@@H](N=C(O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1"]
["112493564","Cc1cc(C)c([N+](=O)[O-])cc1OCC(C)(C#N)NC1CC1"]
["49294214","CCNC(C)C(CC)Cc1cc([N+](=O)[O-])ccc1OC"]
["95073527","COc1ccc([N+](=O)[O-])cc1Cn1ccnc(Cl)c1=O"]
["30232570","CC[C@H](Nc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1[N+](=O)[O-])C(=O)O"]
["171236343","C=C(C)C[C@H](N)c1csc([N+](=O)[O-])c1.Cl"]
["61016400","O=C1c2ccc(OCCCN3CCCCC3)cc2C(=O)N1CCO[N+](=O)[O-]"]
["99667265","O=c1c2cc3c(=O)n(-c4ccc(S(=O)O)cc4)c(=O)c3cc2c(=O)n1-c1ccc(S(=O)O)cc1"]
["9755448","Cc1cc(C)n(CCOC(=O)c2cccc(C)c2[N+](=O)[O-])n1"]
["11858324","Cc1cccc(OC(=O)Cn2c(O)nc3ccccc3c2=O)c1[N+](=O)[O-]"]
["63664104","[As]1=[As][AsH][As-][AsH][As-][AsH][As-]1.[Cr]"]
["51799034","[As]1=[As][AsH][As-][AsH][As-][AsH][As-]1"]
["61672346","[As-]1[AsH][As-][AsH][As-][AsH][As-][AsH]1"]
["50272971","[As-]1[AsH][As-][AsH][As-][AsH][As-][AsH]1.[Cr]"]
["97416772","C1=Cc2ccccc2C=[GeH]1"]
["46807979","C1CC[Si]2(C1)CCCC[Si]21[Si]2(CCCC2)[Si]2(CCCC2)[Si]2(CCCC2)[Si]2(CCCC2)[Si]12CCCC2"]
["97699464","C1C[Si]23CCC[Si]2(C1)[Si]12CCC[Si]1(CCC2)[Si]12CCC[Si]31CCC2"]
["182063224","CC(C)[Si]1(Br)CCCC1"]
["151978691","I[Si]1([Si]2(I)CCCCC2)CCCCC1"]
["96969279","C[n+]1ccn([Si]2(n3cc[n+](C)c3)CCCCC2)c1"]
["171485982","CN[Si]1(NC)CCCCC1"]
["97884195","[N-]=[N+]=C[Si]1(C=[N+]=[N-])CCCC1"]
["101221823","c1ccc2c3ccc(c2c1)[Si]12CCCCCCCCCCCCCCCCC[Si]3(CCCCCCCCCCCCCCCCC1)CCCCCCCCCCCCCCCCC2"]
["198527244","[NH-][Si](=[Si-])[Si]1([Si+])CCCCCC1.[Na+]"]
["101371081","CN[Si]1(NC)CCC1"]
["97576163","[2H]C([2H])([2H])[Si]1(C([2H])([2H])[2H])CCC1"]
["42699894","C1CCC[Si]2(CC1)CCCCC2"]
["184429836","O=CC1C=CC(Br)C(F)C1F"]
["173703998","CC(C)(C)OC(=O)COC1=C(C=O)C=CC(Br)C1"]
["184444231","CC1C(C#N)=C(S(C)(=O)=O)C=CC1Br"]
["187678248","CN1SC=CC1C=O"]
["32392674","FC1(F)[C@]2(Br)[C@H]3C=C[C@H](O3)[C@]12Br"]
["112359963","O=CC1(c2cccc(Cl)c2)CC(F)C1"]
["172503466","O=C1C(O)[C@@H](F)[C@@H](F)C1O"]
["195307593","O=CC1=C(F)C(Br)CC=C1"]
["180859396","C=NC(=O)/C=C/C1C=CC=C(OC)C1C"]
["172830257","O=CC1=CC(F)=C(F)C(Cl)(Cl)C1F"]
["MCULE-1416229526","O=CC1C(c2ccc(Br)cc2C(F)(F)F)C1(F)F"]
["167440739","F[C@@H]1/C=C\\CCCC[C@H]1Br"]
["173969154","[B]C([B])(O)C1([B])OC([B])([B])C([B])([B])NC1([B])[B]"]
["174027015","[B]C(C)(C)C(=C)SC"]
["173922662","[B]C([B])(O)B1OB(C([B])([B])O)OB(C([B])([B])O)O1"]
["172724871","CC1(C(O)(O)O)OO1"]
["173760577","[B]C([B])([B])O"]
["176389121","[B]C([B])(O)C(N)(O)O"]
["175485072","[B]C([B])(O)C([B])([B])O"]
["166511986","CC1(O)CCCC2(C)CCC(O)(C(C)(C)O)CC12"]
["173762427","[B]C([B])(O)[C@@]1([B])O[C@@H](O)C[C@H]1O"]
["56935065","[B]C(O)(O)O"]
["68120679","FC(F)(F)C1(C(F)(F)F)NO1"]
["91519095","CS(=O)(=O)C1(S(C)(=O)=O)OC1(C(=N)O)C(=N)O"]
["78236186","ClN(P(Cl)Cl)P(Cl)N(Cl)P(Cl)N=[PH](Cl)Cl"]
["78098874","O=[PH](Cl)[PH](Cl)=NP(Cl)Cl"]
["26863132","[SiH3]N(C(Cl)Cl)[Si](C(Cl)Cl)(C(Cl)Cl)C1CCCCC1"]
["59707577","CN(C)N(C)P(Cl)Cl"]
["26625063","CP(CCl)N=PN(Cl)P(Cl)Cl"]
["58339729","CN(C)P(=O)(Cl)N(C)P(Cl)Cl"]
["34150329","CSP(Cl)N(C(C)C)C(C)C"]
["78120168","S=P(Cl)(Cl)[PH](Cl)=NP(Cl)Cl"]
["175145271","PN(Cl)P(Cl)N=PCl"]
["78441891","ClP(Cl)N=[PH](Cl)Cl"]
["56560538","CCCN(CC(=O)N(C)C)C(=O)N=C(O)C(C)Cl"]
["78194721","CC#C[PH](C)=NP(Cl)N(Cl)P(Cl)Cl"]
["172233580","[Na+].[Si+]N[Si-]1(=[Si]N[Si-])CCCCCC1"]
["62558243","C=[Si-]1(C)CCCCO1.[Na+]"]
["161831379","[B]1CCCCCO1"]
["197169604","COC1(CNCC(C)C)CCCCCC1"]
["174922951","CC(C)=[Si-]1(C)CCCCC1.[Pd]"]
["92784854","C#CC(C)NCC1(O)CCCCCC1"]
["175136560","IP(C1CCCCC1)(C1CCCCC1)(C1CCCCC1)C1CCCCC1"]
["91125573","C[Si]1(C)PCCCP1"]
["62650248","[2H]CC1CCCCC1[B]"]
["86546954","CCc1ccc(CC2CCCCCC2CNC(C)C)nc1"]
["44531938","[Si-]N[Si+]1CCCCCC1"]
["64230055","C=CC(N)[Si-]1(C(N)C=C)=[Si]=[O+]CCC1"]
["26720085","NCCCn1[c]nnn1"]
["185612811","NCCC[SiH](N)CCN"]
["94510680","CC1CC(C)N(CC2CCC(CN)O2)C1"]
["145087012","NCCCn1nnc(CCc2ccccc2Cl)n1"]
["53730000","NCCCn1cc(S(=O)(=O)N2CC3CCC2C3)cn1"]
["76129475","CCCCN(CCCC)C1=C(F)C(=[F+])C(=CC=C2C=CN(CCCN)C=C2)C(F)=C1F"]
["63744651","NCCCCCN1CCN(c2ncccn2)CC1"]
["32792306","C=C(I)CCCN"]
["87676494","Cc1ccc(-c2ccc(N3CCN(CCN)CC3)nn2)cc1"]
["183933713","NCCCCCCCCCCc1cnnnc1"]
["43838207","C[Si](C)CCCCN"]
["89449311","NCCCn1cc(CC(=O)O)c2ccc(Br)cc21"]
["78234646","ClC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl"]
["26939037","O=C(O)C1(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl"]
["173657832","CC(C)c1c(C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl)cccc1C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl"]
["172760087","NN1NC=CC(N)(Cl)N1"]
["74318657","ClC(Cl)(Cl)C(Cl)(Cl)C1(C(Cl)(Cl)Cl)N=NN=N1"]
["100210511","O=COC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl"]
["57717824","ClC(Cl)(Cl)C(Cl)(Cl)C1(c2ccccc2)N=NN=N1"]
["148817265","CC=C1C=C[C](C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl)C=C1"]
["99590259","O=C(O)/C(=C(/C(Cl)(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"]
["148817484","O=C1C=C[C](C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl)C=C1"]
["148817616","[O]CCc1ccc(C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl)cc1C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl"]
["173657432","OC1c2ccccc2CCC1C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl"]
["76238676","[6CH3][6CH2][6CH2][6CH2][6CH2][6CH2][6CH]([6CH2][6CH2][6CH2][6CH2][6CH2][6CH3])[6CH2][7N]([6CH2][6CH]([6CH2][6CH2][6CH2][6CH2][6CH2][6CH3])[6CH2][6CH2][6CH2][6CH2][6CH2][6CH3])[6c]1[6cH][6cH][6c](/[6CH]=[6CH]/[6c]2[6cH][6cH][6c](/[6CH]=[6CH]/[6c]3[6cH][6cH][6c](/[6CH]=[6CH]/[6c]4[6cH][6cH][6c]([7N+](=[8O])[8O-])[6cH][6cH]4)[6cH][6cH]3)[6cH][6cH]2)[6cH][6cH]1"]
["76238834","[6CH3][6CH2][6CH2][6CH2][6CH]([6CH2][6CH3])[6CH2][8O][6c]1[6cH][6c](/[6CH]=[6CH]/[6c]2[6cH][6cH][6c](-[6c]3[7n][7n][6c](/[6CH]=[6CH]/[6c]4[7n][7n][6c](-[6c]5[6cH][6cH][6c](/[6CH]=[6CH]/[6c]6[6cH][6c]([8O][6CH2][6CH]([6CH2][6CH3])[6CH2][6CH2][6CH2][6CH3])[6c]([6CH3])[6cH][6c]6[8O][6CH2][6CH]([6CH2][6CH3])[6CH2][6CH2][6CH2][6CH3])[6cH][6cH]5)[8o]4)[8o]3)[6cH][6cH]2)[6c]([8O][6CH2][6CH]([6CH2][6CH3])[6CH2][6CH2][6CH2][6CH3])[6cH][6c]1[6CH3]"]
["90934653","F[Si]1(F)[Si+]=[Si-](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(F)F"]
["90937508","F[Si]1(F)[Si](F)(F)[Si]1(Br)Br"]
["91573327","Br[Si]1[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br"]
["185410392","O=S(=O)(Br)CCCCC(CS(=O)(=O)Br)S(=O)(=O)Br"]
["177186969","Br[Si]1(Br)[Si+]=[Si-]1(Br)Br"]
["33446290","Fc1nnc(Br)s1"]
["84194050","Br[Si]1(Br)[Si]#[Si][Si+]=[Si-](Br)(Br)[Si]1(Br)Br"]
["90939948","Br[Si]1(Br)[Si]#[Si][Si]#[Si][Si]1(Br)Br"]
["90936366","F[Si]1(F)[Si](Br)(Br)[Si]#[Si][Si+]=[Si-]1(F)F"]
["90934650","Br[Si]1(Br)[Si+]=[Si-](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br"]
["78542117","O=S(=O)(Br)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F"]
["90937945","F[Si]1(F)[Si](F)(F)[Si]1(F)Br"]
["191404573","C1=C[NH2+]C=[NH+]1.c1c[nH+]c[nH]1"]
["59118666","CS(C)=O.[Ru+3].c1c[nH+]c[nH]1"]
["191698822","C1=C[NH2+]C=[NH+]1.N=C(N)N"]
["193183576","[Zn+2].c1c[nH+]c[nH]1"]
["193757481","CC#N.c1c[nH+]c[nH]1"]
["47375915","NC(=[NH2+])S.c1cc[nH+]cc1"]
["191768222","C1=C[NH2+]C=[NH+]1.F[B-](F)(F)F"]
["173057211","Cn1ccc(Cl)[nH+]1"]
["193791436","C1=C[NH2+]C=[NH+]1.C1CC[NH2+]C1.c1cn[nH]c1"]
["179757684","[SiH2+]C1C=C[NH+]=C1"]
["192940984","O.c1c[nH+]c[nH]1"]
["18910826","OC(N=C1C=C[NH2+]C=C1)=N[C@H]1CC[C@@H](N=C(O)N=c2cc[nH]cc2)CC1"]
["76239726","[1CH3][1C](=[1O])[1O][1CH2][1C@H]1[1O][1C@@H]([1O]/[1CH]=[1C](\\[1CH2]S[1C]#[1N])[1C]([1CH3])=[1O])[1C@H]([1O][1C]([1CH3])=[1O])[1C@@H]([1O][1C]([1CH3])=[1O])[1C@@H]1[1O][1C]([1CH3])=[1O]"]
["76239935","[1N]#[1C][1C@@H]([1O][1C@@H]1[1O][1C@H]([1CH2][1OH])[1C@@H]([1OH])[1CH]([1OH])[1C@H]1[1O][1C](=[1O])[1c]1[1cH][1c]([1OH])[1c]([1OH])[1c]([1OH])[1cH]1)[1c]1[1cH][1cH][1c]([1OH])[1cH][1cH]1"]
["76239938","[1CH3][1CH2][1CH2][1C](=[1O])[1O][1CH]([1C]#[1N])[1c]1[1cH][1cH][1c](-[1c]2[1cH][1cH][1cH][1cH][1c]2Cl)[1o]1"]
["76239700","[1CH]#[1C]/[1CH]=[1CH]\\[1CH2]/[1C](Br)=[1C]1\\[1CH2][1C@@H]2[1O][1C@H]([1CH2][1CH3])[1C@@H](Br)[1CH2][1C@@H]2[1O]1"]
["76239905","[1CH3][1C](=[1O])[1O][1CH]([1C]#[1N])[1c]1[1cH][1cH][1c](-[1c]2[1n][1c]3[1cH][1cH][1cH][1cH][1c]3s2)[1o]1"]
["76239791","[1CH3][1CH2][1O][1C](=S)S[1CH2]/[1C](=[1CH]\\[1O][1C@@H]1[1O][1C@H]([1CH2][1O][1C]([1CH3])=[1O])[1C@@H]([1O][1C]([1CH3])=[1O])[1C@H]([1O][1C]([1CH3])=[1O])[1C@H]1[1O][1C]([1CH3])=[1O])[1C](=[1O])[1O][1CH3]"]
["76239895","[1CH3][1CH2][1CH2][1C](=[1O])[1O][1CH]([1C]#[1N])[1c]1[1cH][1cH][1c](-[1c]2[1cH][1cH][1c]([1C](=[1O])[1O][1CH2][1CH3])[1cH][1cH]2)[1o]1"]
["76239928","[1CH3][1C](=[1O])[1O][1CH]([1C]#[1N])[1c]1[1cH][1cH][1c](-[1c]2[1n][1c]3[1cH][1cH][1c](Cl)[1cH][1c]3s2)[1o]1"]
["76239830","[1CH3][1CH2][1O][1C](=[1O])[1C]1([1C](=[1O])[1O][1CH2][1CH3])[1CH2][1O][1C]([1CH2]Br)([1CH]([1CH3])Br)[1O][1CH2]1"]
["76239689","[1CH]#[1C]/[1CH]=[1CH]\\[1C@@H](Cl)[1C@H]([1OH])[1C@H]1[1CH2][1C@H]2[1O][1C@H]2[1CH2][1C@H](Br)[1C@@H]([1CH2][1CH3])[1O]1"]
["76239920","[1CH3][1CH2][1CH2][1C](=[1O])[1O][1CH]([1C]#[1N])[1c]1[1cH][1cH][1c](-[1c]2[1cH][1cH][1c](Br)[1cH][1cH]2)[1o]1"]
["76239676","[1CH3][1C](=[1O])[1O][1C@H]1[1CH2][1C]([1CH3])=[1C]2[1C](=[1O])[1CH]=[1C]([1CH3])[1C@]2([1OH])[1C@H]2[1O][1C](=[1O])[1C@@H]([1CH3])[1C@H]12"]
["79541723","CN(C)P(C)(=N[PH](N=P(C)(C)C)(N=P(C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)N(C)C"]
["173061801","CC(=O)O.CN(C)P(=N[P+](N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C"]
["187627682","CNP(=NP(=NC(C)(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C"]
["96647536","CN(C)P(=N[C@@H](c1ccccc1)[C@@H](N=P(N(C)C)(N(C)C)N(C)C)c1ccccc1)(N(C)C)N(C)C"]
["180716985","C=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)CCN(C)P(=N)(N(C)C)N(C)C"]
["79736952","CN(C)P(=N)(N(C)C)[N+](C)C.[Cl-]"]
["97758258","CN(C)c1ccc(N=P(N(C)C)(N(C)C)N(C)C)cc1"]
["66832185","CN=P(N=P(N)(N(C)C)N(C)C)(N=P(C(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C"]
["186679538","CN(C)P(=NP(=N[P+](N(C)C)(N(C)C)N(C)C)(N1CCCCC1)N1CCCCC1)(N(C)C)N(C)C"]
["180248974","CN[P+](=NP(=N)(NC)NC)N(C)C"]
["171727348","C=C(C)C(=O)ON=P(N(C)C)(N(C)C)N(C(OC(=O)C(=C)C)OC(=O)C(=C)C)C(OC(=O)C(=C)C)(OC(=O)C(=C)C)OC(=O)C(=C)C"]
["97548586","CCCCOP(C)(=S)N(C)C"]
["78443864","OOOBOBOOOOOOOOOOO"]
["64917215","CSOOOO"]
["183280783","CCCCCCCCCCC(CCCCCCCCCCCCCCCOOOOOOOO)N=[N+]=[N-]"]
["66737246","[B]OOOOOOOOOO"]
["75506652","OOOOC1CCCCCCCCCC1"]
["78057648","COBOOOO"]
["172420559","CC(=O)OOOO"]
["99642894","CO[B]OOOO"]
["190696082","OOO[I-]OOO.OOO[I-]OOO"]
["54006349","OOOOOOOOOOOOOOOOOOOO"]
["78457314","CC(I)C(C)OOOO"]
["182758965","CCCCCCCCCCCCOOOOOOO"]
["168459401","[Si+]1[Si]2=[Si+][Si]3=[Si+][Si](=[Si-][Si]1=[Si-]3)[Si-]2"]
["91536522","CO[Si]1=[Si+][Si](OC)=[Si-]1"]
["161800569","[Si+]1=[Si]2[Si-]=[Si]12"]
["78249036","C1=NP=NP=N/C=N\\1"]
["50022893","C1=NC=N[N]1"]
["149802167","C1=CCN=CN=CN=1"]
["169784951","O=C(C1C=N1)C1C=N1"]
["180938162","C[C@@H]1N=CN=CC1Br"]
["176423153","C1=NP=N1"]
["184651504","c1cc2nc(c1)c1ccc(cc1)c1ccc(cc1)c1cccc(p1)c1ccc(cc1)c1ccc2cc1"]
["109304790","O=C(O)CC[C@H]1C=NC=N1"]
["52902134","C1=NC=NC1C1C=NC=N1"]
["162587825","Cc1nn(C)cc1C1C=NC=NC1=O"]
["109302962","BrC[C@H]1C=NC=N1"]
["180579920","C1=NC=NC2NCNC12"]
["100869339","[Se]=P12CN3CN(C[NH+](C3)C1)C2"]
["99694006","S[P+]12CN3CN(CN(C3)C1)C2"]
["77500364","CCCC12CN3C[NH+](C1)CC(CCC)(C3)C2"]
["178577113","CN(C)C1C=C(B(O)c2cccc([NH+](C)C)c2)C=CC1"]
["100214768","C1PCN2CPCN1C2"]
["77500295","CCC12CN3C[NH+](C1)CC(CC)(C3)C2=O"]
["63619127","CC(=O)N1CN2CN(C(C)=O)CP(=O)(C2)C1"]
["73933985","S[P]12CN3CN(CN(C3)C1)C2"]
["10634467","CCc1ccc(C(=O)C23CN4CN(C[NH+](C4)C2)C3)cc1"]
["64742492","CCOc1ccc([NH2+]C(S)=[NH+]C23CN4CN(C[NH+](C4)C2)C3)cc1"]
["62396941","C[NH+](C)c1ccc(C=[NH+]C23CN4CN(C[NH+](C4)C2)C3)cc1"]
["10415257","CCc1ccc(C(=O)C23CC[NH+]4CN(CN(C4)C2)C3)cc1"]
["49868182","O=P12OP3OP(O1)OP(=S)(O3)O2"]
["46625803","CC1(C)COP(=O)(P2(=S)OCC(C)(C)CO2)OC1"]
["56205831","COP1(=S)OCC(C)(C)CO1"]
["171661308","CN1OP2(=O)ON1O2"]
["51156282","S=P12Op3p(p3O1)O2"]
["81891256","CCCP1OP(CCC)OP(=O)(CCC)O1"]
["47640505","COC12COP(=O)(OC1)OC2"]
["182599659","OPC12COP(=S)(OC1)OC2"]
["120279267","CC(C)(NC(O)=NC1COCC1(C)C(=O)O)C1CC1"]
["56934915","CC12COP(=S)(OC1)OC2"]
["43546710","CC1(C)COP(N)(=O)O1"]
["116274394","O=P12CP3(=O)OP(=O)(O1)OP(=O)(O2)O3"]
["73805769","[c]1cccccoo1"]
["96857730","[C]#C[Si](C)(C)C.[Zn].[c]1ccccc1-c1ccccc1"]
["79721377","[c]1ccccccccccccccccc1"]
["79838869","C[CH]C.[Fe].[c]1ccccc1"]
["34391956","[Zn].[c]1ccco1.[c]1ccco1"]
["101304304","[SH2+]c1c[c]ccc1"]
["49596176","Cc1[c]cccc1.[Sn]"]
["177148703","Cc1[c]cccc1.[Al].[CH3]"]
["97656527","[I-].[Sr+].[c]1ccccc1"]
["185444500","O=N[O-].[Sn].[c]1ccccc1"]
["73819160","[c]1cccc(CCc2ccccc2)n1"]
["25532096","CC(Cl)c1[c]cccc1"]
["96817709","[N-]=c1c(=[N-])c2[cH+][c+]3c(=C=N)c(=C=N)[c+]3[cH+]c12"]
["168519094","[CH+]=c1ccc(=C=N)cc1"]
["185699846","N=C=C1C=NN=C1"]
["97617510","C[C+]1C(=[N-])[CH+]C(=[N-])[CH+]C1=[N-]"]
["164562740","N=C=C1C=CC=CC1=O"]
["76123967","Cc1cccc(=C=N)c1=C=N"]
["103010013","N=C=Nc1ccc(N=C=N)c(Cl)c1Cl"]
["65784971","N=C=c1c(O)ccc(O)c1=C=N"]
["168155189","N=C=c1c(=O)c(=O)c(=C=N)c(=O)c1=O"]
["110880944","N=C=c1ccc(=C(Cl)Cl)cc1"]
["97304488","[N-]=C1[CH+][CH+][CH+][CH+]C1=[N-]"]
["96731243","[N-]=C1[CH+][CH+][C+](O)C(=[N-])[CH+]1"]
["178581347","C1C2C3CC45CC26C1C1C2CC78CC4C4(C7)C28C16C354"]
["178421633","CC12C3CCC14CCC15C(C6CCC6)CC1C3C52C4"]
["180201460","C1C2C3CC45CC67CC8C1C24C8(C6)C37C5"]
["178928113","C1CC23C4CC1C1C5CC6C7C8C9CC%10C%11C%12CC%13C%14C4C4(C912)C58C%106C%111C%13%12C%143C741"]
["180448678","CC12CC3(O1)C1(COC1)CC2C3(C)C"]
["179638793","C1C2CC34CC35C2CC5C14"]
["180029778","C1C2C3CC45C1C1C6C7CC64C46C7CC4C3C16C25"]
["178272743","CC12C3CC4C5C1CC1C6C3C2(C)C23C1C17CC8C9C%10CC%11C%12C6C46C%124C%10%11C9(C1)C4(C872)C563"]
["179537214","CC12CC3C4C5CC6CC7C(C5)(C1)C32C647"]
["181895271","CC#CC1C2CC3CC(C2)CC1(C12CC4CC(CC(C4)C1)C2)C3"]
["179055584","CC12C3CC4C5CC36C5C3C5CC7C8CC1C81C75C36C421"]
["161771318","FC1(Br)CC12CC2Sc1ccccc1"]
["99393774","Cl[Si](=[Cl+])CCCCCCCC[Si-](Cl)Cl"]
["99445809","Cl[Si](Cl)CCCCCCCCI"]
["99445890","ClCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)Cl"]
["99515420","C=C[Si](C)[O+]=[Si-].CCCCCCCC[Si](C)[O+]=[Si-]"]
["172680025","CCCCCCCC[Si](CCCCCCCC)CCCCCCCC.[Ti]"]
["99475219","CO[Si](CCCCI)OC"]
["173971298","Cl[Si](=[Cl+])C(CCC[Si-](Cl)Cl)[Si](Cl)(Cl)Cl"]
["99376342","CC(CCCCCCCO)[Si](Cl)Cl"]
["43981682","CC(C)(C)c1ccc(CCCCCCCC[Si](Cl)Cl)cc1"]
["99446058","ClCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)Cl"]
["99594219","CCCCCCCCC[Si](OC(C)OC)C(C)(C)C"]
["168497462","CCCCCC[Si](Cl)OCCC"]
["168518240","C1=[Ge+]C=[Ge-]C=[Ge-]C=[Ge+]1"]
["91336471","C1=[Ge]=C[Ge-]=C[Ge+]1"]
["91210347","C1=C[Ge-]=C[Ge+]=C1"]
["66008206","N=N/N=N/N=N/N=N/N=NC#CN(C#CN=N/N=N/N=N/N=N/N=N)/N=N/N=NC#CN=NNN=N"]
["99705061","N=[15N]/N=N/N=N/N=N/N=N/N=N/N=N/N=N/OS(=O)(=O)C(F)(F)F"]
["144590030","N=N/N=N/N=N/N=N/N=N/N(OOOOOO)OOOOOOO"]
["43685572","N=N/N=N/N=N/N=N/N=N"]
["162029642","N=N/N=N\\N=N/N=N\\OOS"]
["79698115","N=NN=NN=NN=N/N=N/[N+]=N"]
["46278200","N=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NS.[V]"]
["172482450","N=N/N=N/N=N/OOOOOOOOOP"]
["78711040","[2H]C([2H])(C(O)=NN=NN=NN=NN=NN=NN=NN=N)C([2H])([2H])C([2H])(C)C(=O)O"]
["66858464","CC1C(OC#CN=NNN=N)=CCc2ccccc21"]
["62015932","N=NN=NN=NN=NNN"]
["99802784","CON=NN=NN=N"]
["189103639","CC#CC(C)(C)NS(C)(C)CCS(C)(C)C"]
["112785876","CC#CCCNCC(C)(C)CCOC"]
["93139131","CC#CCCNS(=O)(=O)c1ccccc1N"]
["92556355","CC(C)(CNCc1cccc(F)c1Cl)S(C)(=O)=O"]
["55218555","CCC(C#N)S(=O)(=O)NC(CC)(CC)CO"]
["197434072","C#CC(C)(C)CCS(C)(=O)=O"]
["135820883","Cc1cc(S(=O)(=O)NC(C)(C)CCS(C)(=O)=O)c(F)cc1F"]
["162263718","CC(O)(C#CBr)CCO"]
["87477503","CC(CBr)(CBr)NS(=O)(=O)CCc1ccccn1"]
["146449603","CC(C)CC(C)(CN)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.Cl"]
["162382974","CC#CC(C)(F)C1CCCNC1"]
["58694867","C#CC(C)(C)NS(=O)(=O)c1ccc(CCN)cc1"]
["177529593","B=C1B[SH](B)S2=S1[SH]=[SH][SH]=[SH]2"]
["152972336","OCC#C[C@](O)(c1ccccc1)c1ccccc1F"]
["60723784","OCC#CC(O)(c1ccccc1)c1ccccc1F"]
["152972335","OCC#C[C@@](O)(c1ccccc1)c1ccccc1F"]
["25662501","C#CC(O)(c1ccccc1)c1ccccc1F"]
["97525277","[N]CCC[Si]12O[Si]3(CCC[N])O[Si]4(CCC[N])[O+][Si](CCC[N])(O1)[O+][Si]1(CCC[N])[O+][Si](CCC[N])(O2)[O+][Si](CCC[N])([O+]3)[O+][Si](CCC[N])([O+]4)[O+]1"]
["48094708","CCCC[Si]12OC[Si]3(CCCNCl)O[Si]4(CCCNCl)O[Si](CCCC)(O1)O[Si]1(CCCC)O[Si](CCCC)(O2)O[Si](CCCNCl)(O3)O[Si](CCCNCl)(O4)O1"]
["164560736","CC(C)[Si]12O[Si]3(CCCS)O[Si]4(C(C)C)O[Si](C(C)C)(O1)O[Si]1(C(C)C)O[Si](C(C)C)(O2)O[Si](C(C)C)(O3)O[Si](C(C)C)(O4)O1"]
["147800181","N#CCCC[Si]12O[Si]3(CCCC#N)O[Si]4(CCCC#N)O[Si](CCCC#N)(O1)O[Si]1(CCCC#N)O[Si](CCCC#N)(O2)O[Si](CCCC#N)(O3)O[Si](CCCC#N)(O4)O1"]
["169783946","SCCC[Si]12OC34O[Si]5(CCCS)O[Si](CCCS)(O1)O[Si]1(CCCS)O[Si](CCCS)(O2)O[Si](CCCS)(O[Si]3(CCCS)O5)O[Si]4(CCCS)O1"]
["43158229","CC[Si]1O[Si]2(CC)O[Si-](CC)O[Si]3(CC)O[Si]4(CC)O[Si](CC)(O[Si](CC)=[O+]3)O[Si](CC)(O1)O[Si](CC)(O2)O4"]
["147842226","CCCNCCC[Si]12O[Si]3(CCCNCCC)O[Si]4(CCCNCCC)O[Si](CCCNCCC)(O1)O[Si]1(CCCNCCC)O[Si](CCCNCCC)(O2)O[Si](CCCNCCC)(O3)O[Si](CCCNCCC)(O4)O1"]
["65031197","CC[Si]12O[Si]3(CC)O[Si]4(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O2)O[Si](CC)(O3)O[Si](CCCO)(O4)O1"]
["101169643","SCCC[Si]12O[Si]3(CCCS)O[Si]4(CCCS)O[Si](CCCS)(O1)O[Si]1(CCCS)O[Si](CCCS)(O2)O[Si](CCCS)(O3)O[Si](CCCS)(O4)O1"]
["191458346","C[Si]1(C)O[Si]2(CCCS)O[Si](C)(C)[Si]1(C)O2"]
["97815635","ClNCCC[Si]12O[Si]3(CCCNCl)O[Si]4(CCCNCl)O[Si](CCCNCl)(O1)O[Si]1(CCCNCl)O[Si](CCCNCl)(O2)O[Si](CCCNCl)(O3)O[Si](CCCNCl)(O4)O1"]
["147771830","BrCCC[Si]12O[Si]3(CCCBr)O[Si]4(CCCBr)O[Si](CCCBr)(O1)O[Si]1(CCCBr)O[Si](CCCBr)(O2)O[Si](CCCBr)(O3)O[Si](CCCBr)(O4)O1"]
["172144945","CN[SiH2]N[SiH2]N[SiH2]N[SiH2]N[SiH2]N[SiH2]N[SiH2]N[SiH](C)C"]
["181696663","C[SiH2]N[SiH2]N[SiH2]N[SiH](C)N[SiH2]C"]
["78866428","CO[SiH](C)N[SiH](C)C"]
["174573545","C=C(O)c1cc(C(=O)OC)[n+]2c(c1)=C(C(=N)O)N=C=2"]
["191418634","CN[SiH2]C.[HH]"]
["181734533","C[SiH2]N[SiH2]N[SiH](C)N[SiH](C)N[SiH3]"]
["78850733","COC[SiH2]N[SiH2]COC"]
["79523504","CNC.C[SiH](C)C"]
["79598828","CN[SiH](NC)C(C)(C)C"]
["79039974","CNCC(NC)(N[SiH3])NC(C)C"]
["148633486","CCCCCCCCCCCCO[SiH](OC)OCCCCCCCCCCCC"]
["99375939","CCN(CC)[Si](/C=C/Cl)NC"]
["96572955","O=S1(=O)O[SiH]2O[SiH]3O[SiH2]O[SiH]4O[SiH](O3)O[SiH](O2)O[SiH](O4)O1"]
["1100721","O1[SiH]2O[SiH]3O[SiH]4O[SiH]1O[SiH]1O[SiH](O2)O[SiH](O3)O[SiH](O4)O1"]
["149663348","CO[SiH]1O[SiH2]O1"]
["181342785","O=S1(=O)OP(=S)(S)O1"]
["174185679","F[SiH]1O[SiH2]O1"]
["96658997","O1[SiH2]O[SiH]2O[SiH2]O[SiH]3O[SiH2]O[SiH]1O[SiH](O2)O3"]
["78504039","O[SiH]1O[SiH]2O[SiH]3O[SiH2]O[SiH]4O[SiH](O1)O[SiH](O2)O[SiH](O3)O4"]
["173307470","O=S(=O)(O)[SiH]1O[SiH2]O1"]
["174544047","CN(C)[SiH]1O[SiH2]O1"]
["191633995","C[SiH]1O[SiH](C)O[SiH](C)O1.O1[SiH]2O[SiH]3O[SiH]4O[SiH]1O[SiH]1O[SiH](O2)O[SiH](O3)O[SiH](O4)O1"]
["78342516","[SiH3]O[Si]12O[SiH]3C[SiH]4O[SiH]5O[SiH](O3)O[SiH](O[SiH](O5)O[SiH](O4)O1)O2"]
["171909361","[SiH-]=[O+][SiH]1O[SiH]2O[SiH]3O[Si-]=[O+][SiH]4O[SiH](O3)O[SiH](O2)O[SiH](O1)O4"]
["97671860","C=CC[SiH2]C[SiH](C[SiH3])C[SiH](C[SiH2]C[SiH3])C[Si](C[SiH2]C[SiH3])(C[SiH2]C[SiH2]C[SiH3])C[SiH](C[SiH3])C[SiH2]CC=C"]
["193386778","C.C=CC[SiH2]C[SiH2]CC"]
["79054708","C=CC[SiH2]CCC(C)(N1CCCCC1)N1CCCCC1"]
["79866866","C=CCCC[CH]C(C)=CC"]
["192922582","CO[Si](C)(C[SiH2]C[SiH3])OC.CO[Si](C)(C[Si](Cl)(Cl)C[SiH](Cl)Cl)OC"]
["79057694","C=CC[SiH2]c1nc(CC=C)c(CC=C)[nH]1"]
["146572343","C=CCNC(=N)NCc1noc(C2CC2)n1"]
["175257284","C=CC[SiH2]CC=C.c1ccc(-c2ccccc2)cc1"]
["182083224","C=CC[SiH2]C[SiH](CC=C)CC=Cc1ccccc1-c1ccccc1"]
["79130060","C=CC[SiH2]CC(=C)C(=N)O"]
["79055329","C=CC[SiH2]CCC(C)(N(C)C)N(C)C"]
["183702974","C=CC[SiH2]C[SiH](CI)CC=Cc1ccc(F)cc1"]
["172584353","C[Si+]=[Si-](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)C"]
["63365107","C[Si+][Si-](C)(=[Si+]C)[Si-]C"]
["168452192","C[Si](C)([Si](C)(C)[Si](C)(C)[Si-](C)(C)=[Si+])[Si](C)(C)[Si-](C)(C)=[Si+]"]
["98448798","Cc1ccccc1C(O[Si](C)(C)[Si](C)(C)[Si](C)(C)C)=C([SiH3])O[Si](C)(C)[Si](C)(C)[Si](C)(C)C"]
["161880317","C[Si](C)(C)[Si](P=P[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C"]
["171223022","C[Si+]=[Si-](C)(c1ccccc1C)c1ccccc1C"]
["97596321","C[SiH](C)[Si]([Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C"]
["168452191","C[Si](C)([Si](C)(C)[Si](C)(C)[Si](C)(C)[Si-](C)(C)=[Si+])[Si](C)(C)[Si](C)(C)[Si-](C)(C)=[Si+]"]
["97325794","C[Si](C)(C)C([Si](C)(C)CC[Si](C)(C)[C+]([Si](C)(C)C)[Si](C)(C)C)=[Si-](C)(C)C.[Zn]"]
["91155499","C[Si](C)(Br)[Si+]=[Si-](C)(C)Br"]
["91120017","C[Si](C)(C)[Si]([Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)=[Si-](C)(C)C.[Li+]"]
["161827463","C=CC[Si](C)(CC=C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)C"]
["99501913","[O]C1=NC(=[As])[N]C(=[As])C1=[As-]"]
["27142806","[O]C1=NCCN=C1[O]"]
["74327552","[O]C1=NC(=O)C2CCCC=C12"]
["164342205","CCC1(C(C)C)C(=O)N(C(C)C)C(=O)N1[Si](CC)(CC)CC"]
["26072016","N=C1N=CC([O])=N1"]
["173211123","O=S(=O)=C1C(S(=O)(=O)Cl)=Nc2cc(Cl)ccc21"]
["185039247","[O-]C1=NNOC1"]
["113294493","N=C(NN)NCc1ncon1"]
["75912727","CN1C(=O)C(CS(=O)(=O)Cl)N=C1O"]
["78368039","CC1=CCN=C1[O]"]
["99450605","O=C1CCC([O-])=N1.O=S(O)OO.[Na+]"]
["172149431","CC(C)C1=NC(C(C)C)(C(C)C)C(=O)N1C(C)C"]
["187043253","P1P2P3P145PP1P6P378PP647P2158.[Co]"]
["187043252","P1P2P3P145PP1P246PP3156"]
["187043254","P1P2P3P145PP1P6P378PP647P2158"]
["187043291","P1P2P3P4P5P467PP564P1P2374.[Co]"]
["181970015","ClP1(Cl)(Cl)PP1(Cl)(Cl)Cl"]
["59547430","ClC[B]CC[B]CCl"]
["187043263","P1P2P134PP315PP214P5.[Co]"]
["187043297","P1P2P3P145PP234P5.[Co]"]
["187043298","P1P2P3P145PP234P5"]
["187043251","P1P2P3P145PP1P246PP3156.[Co]"]
["187043264","P1P2P134PP315PP214P5"]
["187043292","P1P2P3P4P5P467PP564P1P2374"]
["177117484","o1op2ooc3c4op5oc3c(o5)c(o2)c14"]
["171667114","O1c2c3op1oc1c3oop3ooc2c1o3"]
["163097312","N#CCC(CN)c1cccc2ccoc12"]
["112243348","Cc1nnc(CNC(C)c2ccc(C)s2)o1"]
["172455411","CC(C)c1ccc(O)c2ooc12"]
["171696492","c1cc2c3c4op(oc14)oc1c4op5oc4c(o5)c2c13"]
["172503200","CC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c3c(op4oc5c6op7oc6c(o7)c3c5o4)c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1"]
["161883293","O=C1CC=CONC1=O"]
["172842923","c1ccc(-c2c3op4oc3c(o4)c3c4ccccc4c23)cc1"]
["154190941","C[C@H](CO)[C@H](C)c1ccc2c(=O)c3c(O)cccc3oc2c1O"]
["32503101","CB1N[C@@H]2[C@H](O1)[C@]1(C)C(C)=C(C)[C@@]2(C)C1(C)C"]
["42615052","CCc1cc(NN)nc(C(CC)CC)n1"]
["102933494","C1=CNC=C2C=1C1=NC2=NC2=NC(=N[C-]3NC(=N[C-]4NC(=N1)C1=C[NH2+]C=C=C14)C1=CNC=C=C13)C1=CNC=C=C12"]
["164404727","OC[C@H]1O[C@@H](c2nc3cccc(N=C(O)c4cscn4)c3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O"]
["97478870","C1=CNC=C2C=1[c-]1nc3[nH][c-](nc4[nH]c(nc5[nH]c(nc2[nH]1)c1c5=CNC=[C+]1)c1c4=CNC=[C+]1)C1=C=CNC=C13"]
["168274930","CC(C)(C)c1csc(C2=C(O)CN(C(C)(C)C)C2=N)n1"]
["99612863","FC1=C=C2C(=C=C1)C1=NC2=NC2=NC(=N[C-]3NC(NC4=NC(=N1)c1ccccc14)c1ccccc13)c1ccccc12.[Ti]"]
["195629136","CNc1cc2c(cc1OC)C1=NC2=NC2=C3C=C=C(OC)[C-]=C3C(N=C3N=C(NC4=NC(=N1)c1cc(OC)c(OC)cc14)c1cc(OC)c(OC)cc13)N2.[CH3-].[U+2]"]
["81212427","CN1CCCC1=NS(=O)(=O)c1cccc(N=C(O)c2csc(-c3ccccc3F)n2)c1"]
["100185137","[C+]#[N+]c1ccc([C-]2N=C(c3ccc(-c4ccccc4)cc3)N=C(c3ccccc3[O-])N2)cc1"]
["102933495","C1=C[NH2+]C=C2C=1C1=NC2NC2=NC(NC3=NC(=C4C=NC=C=C34)NC3=NC(=C4C=NC=C=C34)N1)C1=C[NH2+]C=C=C12"]
["125215792","OC(=NNc1nc(C(F)(F)F)cs1)c1csc(-c2ccccc2F)n1"]
["57563142","Cc1ccc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N=C(O)c4[nH]nc(Br)c4Br)c23)cc1"]
["184531513","[B+]=c1cc2c(cc1Br)=C1NC3=NC(=NC4=NC(=NC5=NC(=N[C-]2N1)c1cc(OC)c(OC)cc15)c1cc(OC)c(OC)cc14)c1cc(OC)c(OC)cc13"]
["79389582","FN1P(F)N=[PH](F)N(F)P1F"]
["170161062","FN1P(F)N=P(OCC(F)(F)F)(OCC(F)(F)F)N(F)P1F"]
["56406981","CCOP1(OCC)=NP(F)N(F)P(F)N1F"]
["175031182","CCN(CC)P1(F)=NP(F)N(F)P(F)N1F"]
["175207549","CCOP1N(F)P(F)N=P(F)(OC)N1F"]
["55793913","C=CP1(OC)=NP(F)N(F)P(F)N1F"]
["55893377","C=CN1P(F)N(F)P(OC)N=P1(C=C)C=C"]
["79147995","FN1P(F)N=P(F)(F)N(F)P(F)N(F)P1F"]
["175004880","FN1P(F)N=P(F)(OC(F)(F)F)N(F)P1F"]
["169748957","FN1P(F)N=P(F)(F)N(Oc2ccccc2)P1F"]
["169750293","CN(C)N1P(F)N(F)P(F)N=P1(F)F"]
["175406716","CC(=O)CP1N=P(CC(C)=O)(CC(C)=O)N(F)P(F)N1F"]
["168622683","o1[si-][o+][si]2[o+][si-]o[si]3o[si]4o[si]5o[si]1[si]1o[si]5o[si]4o[si]3o[si]2o1"]
["195042349","C1[As]2C[As]3S[As](C[As]13)S2"]
["175216349","CNC1=CC(F)=CN=CC1"]
["164732646","C1[As]2C[As]3C[As](C[As]1S3)S2"]
["164522138","C1[As]2C[As]3S[As]2C[As]13"]
["164522139","C1[As@@]2C[As@@]3S[As@]1C[As@@](S2)S3"]
["164732645","C1[As]2C[As]3S[As]1C[As](S2)S3"]
["79471195","[C]1CCSN1"]
["192132105","O=C1C=C(C(F)F)N=CC1"]
["195047458","C1[As]2C[As]3S[As](C[As]13)O2"]
["161652976","CC12C[As]3S[As](C1)S[As](C2)S3"]
["178768543","BrC1=CCC(Br)c2nsnc21"]
["164522140","C1[As]2S[As]3C[As]2S[As]13"]
["172279930","COc1ccc(P23=C(S)P(c4ccc(OC)cc4)(=C(S)C=C2)SS3)cc1"]
["61763411","COc1ccc(SCC(O)=NN=C(O)[C@@H](C)Oc2ccccc2F)cc1"]
["MCULE-1542046035","COc1ccc(-c2ccc(=NC(=O)c3cc(C)ccc3C)[nH]n2)c(OC)c1"]
["3827289","COc1ccc(S(=O)(=O)CC(=O)Nc2ccc(OC)c3ccccc23)cc1"]
["42032827","COc1ccc(C(O)CNc2ccc(F)c(F)c2F)cc1"]
["127654087","COc1ccc(-c2cncc(C(=O)N3CCN(c4ccccc4O)CC3)c2)cc1"]
["162229834","COc1cncc(I)c1C(F)F"]
["65682473","COCCOC(=O)c1c(N=C(O)COC(=O)c2ccc(OC)cc2O)sc(C(N)=O)c1C"]
["82151189","COc1ccc(CNC(CCC(=N)O)C(=O)O)cc1"]
["87320866","C=CCN(C(=O)c1cc(OC)ccc1O)C(C)(C)C"]
["142987478","COc1ccc(C(C)=CC(O)=Nc2ccc(N)c(OC)c2)cc1.Cl"]
["149255177","CCCOc1ccc(C2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(Nc3ccccc3)cc2)cc1OCC"]
["195424000","C=NC#CC(N)C(N=C)C(N)N"]
["180138811","C=NC(C)CI=C=[C-]C"]
["171580729","C=CC(O)=NC(N)N"]
["52791948","C=C[C@H](O)C#CBr"]
["159134876","C#C[C@H](O)[C@@H](N)CC=C"]
["52531969","C=NC(C)CC(C)N=C"]
["173228544","C=NC(C)=C(C)SN"]
["179931954","CC(C)C#CC(N)N"]
["180232954","C=NC(C)(C)C(=C)C(N)C(C)C"]
["195326418","C=N/C(=C(\\N)I)C(N)N=C"]
["149748069","C=C=NN(N)N=C"]
["183205815","[N-]=[N+]=NC#CC(N)C(=O)C(Cl)Cl"]
["84049157","CC(C)=NN=C(S)NN=C(C)C"]
["32039180","CCN(CC)CCOc1ccc2c(c1)C(=NNC(=NN=C(C)C)NN=C(C)C)c1cc(OCCN(CC)CC)ccc1-2"]
["10624942","CC(=O)N1CCN(C(S)=Nc2cc(C)cc(C)c2)CC1"]
["19760241","Cc1nn(C)c2nc(C(C)C)cc(C([O-])=NNC(S)=NCC(F)(F)F)c12"]
["10921167","CC(O)=Nc1cccc(N=C(S)NN=C(O)CC(C)C)c1"]
["169649537","C=C(NC)N/N=C(C(=N/NC(S)=NC)/c1ccc(N2CCOCC2)cc1)\\c1ccccc1"]
["48953656","Cc1ccc(NC(S)=NN=C(C=Cc2ccccc2)C=Cc2ccccc2)cc1"]
["13955603","CC(C)CCN=C(S)NN=C(O)C[C@@H](C)C(C)C"]
["79495602","CN=C(O)S.N"]
["144482052","C=CCN=C(S)NN=C(O)C(C)Cc1cccc(F)c1"]
["20098318","C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(O)=NNC(S)=NCC(F)(F)F"]
["68084596","COC(=O)CCCCCN=C(S)N/N=C(/C)c1ccc(N2CCCC2=O)cc1"]
["178367455","I1=IC2=C3C(=I1)I=IC1=II=IC(=C13)I=I2"]
["195663991","NNC1=II=C(Br)I=I1"]
["84088476","Oc1cc(O)c(Oc2ccccc2O)c(O)c1"]
["173898547","O=S(=O)(O)C1=II=II=I1"]
["178357977","C=CC1=ICC[N-]1"]
["179456372","PC1=IC2=C([N-]1)I=II=I2"]
["179789198","NI1C(=O)C2=C(I=II=I2)I=C1O"]
["174057096","C=C(N=c1cc(C)[nH][nH]1)c1cccc(C(=C)N=c2cc(C)[nH][nH]2)n1"]
["161295801","C=C(C)c1cccc(CO)n1"]
["179809248","C[C-]1I=IC(C(C)(C)NO)=II=I[C-]1I"]
["170192048","C=C(C)c1cccc(C(C)=N)n1"]
["188321497","B=C1CCCCCCCCC(=C)c2ccccc2C(=C)CCCCCCCCC(=C)c2ccccc21"]
["64875495","N=[Si][Si](N)([Si](=N)N)[Si](=N)[Si](=N)[Si](=N)N"]
["103041253","C[Si](C)(C)OP([O-])C(N)(O[Si](C)(C)C)O[Si](C)(C)C"]
["58222722","N=[Si][Si](=N)[Si](=N)N"]
["160577591","CC(C)(C)[Si](C)(C)N=C(O)N[Si](C)(C)C(C)(C)C.N=C(N)O"]
["58261537","CC[Si](N)C(OC)OC"]
["100174194","N=C1N=C(S)NC2NNC=C12"]
["172587942","CO[Si](C)OC.N[Si]"]
["54932492","CC[Si](N)(CC)CCCl"]
["172119859","C[Si]=[Si](C)[Si](C)=N"]
["79970409","N=[SiH][Si](=N)[Si](=N)N"]
["83269073","N=[Si](N)NN"]
["91105338","N=[Si](N)N"]
["66531732","[Ge-]=[O+][Ge-]=[O+][Ge][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-]"]
["161878389","[Ge+]#[Ge]/C=C\\C=[Ge-]"]
["83057181","C[Ge][O+]=[Ge-]C"]
["161795093","C[Ge][O+]=[Ge-]"]
["91160283","[Si]C[O+]=[Ge-]"]
["83055799","[Ge-]=[O+][Ge][O+]=[Ge-]"]
["181575591","[N-]=[N+]=NN1CCCN1N1CCCC1"]
["111326083","COC1CCCN(CCCN=[N+]=[N-])C1"]
["173138161","[B]C(=NC)/N=C(\\C)N1CCCC1"]
["182893410","CNC1CC(C)CCN1C(=O)CN=[N+]=[N-]"]
["183340061","COc1cccc(N=[N+]=[N-])c1C(O)=NN1CCCCC1"]
["182402780","[N-]=[N+]=NN1CCCC12CCCCC2"]
["75359456","C1CN(N2CC[N]CC2)C1"]
["182102112","[N-]=[N+]=NN1CCC(N)(N2CCCC2)C1=O"]
["182187919","[N-]=[N+]=NN1CSC=C1C(F)(F)F"]
["182659502","Cc1nn(N=[N+]=[N-])c2c1CCCC2"]
["182972492","CN1CCC(N(N)N=[N+]=[N-])CC1"]
["183337195","COC1CCC(c2ccccn2)N1N=[N+]=[N-]"]
["193277246","B#[B-][B-](=[B+])c1c(-c2c3c(C)c(C)c(C)c(C)c3c(-c3c(C)c(C)c(C)c(C)c3C)c3c(C)c(C)c(C)c(C)c23)c(C)c(C)c2c(C)c(=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+])c(=[B-]([B-]#B)[B-]([B+])=[B+])c([B-](=[B+])[B-]([B+])=[B+])c12.[B]=c1c([B-]#B)c([B-]([B+])=[B+])c(=C2c3c(C)c(C)c(C)c(C)c3[C-](c3c(C)c(C)c(C)c(C)c3C)c3c(C)c(C)c(C)c(C)c32)c2c([B-](=[B+])[B-]([B+])=[B+])c(C)c(C)c(B([B-]([B+])=[B+])[B-](=[B+])[B-]#B)c12"]
["174151118","B#[B-][B-](=[B+])B([B-]([B+])=[B+])C1=c2c(c(C)c(-c3c4c(C)c(C)c(C)c(C)c4c(C)c4c(-c5c(C#CC#CC#CC#CC#[C-])c6c(C)c(C#C)c(C#CC)c(C#CC#C)c6c6c(C#CC#CC)c(C#CC#CC#C)c(C#CC#CC#CC)c(C#CC#CC#CC#C)c56)c(C)c(C)c(C)c34)c([B-]#B)c2=[B+])C([B-](=[B+])[B-]([B+])=[B+])C(=[B-]([B-]#B)[B-]([B+])=[B+])C1=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+]"]
["174151164","[B]=C1C(C(=C)B([B-]([B+])=[B+])[B-](=[B+])[B-]#B)=C(C(C)[B-](=[B+])[B-]([B+])=[B+])C(C2=C(C)C(C)C(C)c3c2c(C)c2c(C)c(C)c(C)c(C)c2c3-c2c(C#CC#CC#CC#CC#[C-])c3c(C)c(C#C)c(C#CC)c(C#CC#C)c3c3c(C#CC#CC)c(C#CC#CC#C)c(C#CC#CC#CC)c(C#CC#CC#CC#C)c23)=C([B-]([B+])=[B+])C1[B-]#B"]
["64887508","B#[B-][B-](=[B+])c1c([B-]([B+])=[B+])c([B-]#B)c(C)c2c(C)c(C)c(C)c([B-](=[B+])[B-]([B+])=[B+])c12"]
["194305508","[B]=c1c([B-]#B)c(-c2c3c(C)c(C)c(C)c(C)c3c(-c3c(C)c4c(C)c(C)c(C#CC)c(C#CC#C)c4c4c(C#CC#CC)c(C#CC#CC#C)c(C#CC#CC#CC)c(C#CC#CC#CC#C)c34)c3c(C)c(C)c(C)c(C)c23)c(C)c2c(C)c(C)c(=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+])c(B([B-]([B+])=[B+])[B-](=[B+])[B-]#B)c12"]
["193292925","B#[B-][B-](=[B+])c1c(-c2c3c(c(C)c4c(C)c(C)c(C)c(C)c24)=C(c2c(C)c(C)c4c(C)c(C)c(C)c(C)c4c2C)C(C)C(C)C=3C)c(C)c(C)c2c(C)c(=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+])c(=[B-]([B-]#B)[B-]([B+])=[B+])c([B-](=[B+])[B-]([B+])=[B+])c12"]
["193221908","B#[B-][B-](=[B+])B([B-]([B+])=[B+])C1=C(C)C(C)=C(C)C2=C(c3c(C)c(C)c(C)c4c(-c5c(C)c(C)c(C)c6c(C)c(C)c(C)c(C)c56)c5c(C)c(C)c(C)c(C)c5c(C)c34)C([B-]([B+])=[B+])=C([B-]#B)C(=[B+])[C-]12.B#[B-][B-](=[B+])B([B-]([B+])=[B+])C1=c2c(c([B-](=[B+])[B-]#B)c(-c3c(C)c(C)c(C)c4c(-c5c(C)c(C)c(C)c6c(C)c(C)c(C)c(C)c56)c5c(C)c(C)c(C)c(C)c5c(C)c34)c(C)c2=[B+])[C-]([B-](=[B+])[B-]([B+])=[B+])C(=[B-]([B-]#B)[B-]([B+])=[B+])C1=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+]"]
["58003852","CC1=c2c3c(c4n2C25n6c1c1c(c6C(C)=c6c7c8c(C)c(C)c(C)c9c(C)c(C)c(C)c(c=7c([n+]62)C(C)=c2c6c7c(C)c(C)c(C)c%10c(C)c(C)c(C)c(c=6c([n+]25)C=4C)c%107)c98)-c2c(C)c(C)c(C)c4c(C)c(C)c(C)c-1c24)-c1c(C)c(C)c(C)c2c(C)c(C)c(C)c-3c12"]
["193277247","[B]=c1c([B-]#B)c([B-]([B+])=[B+])c(=C2c3c(C)c(C)c(C)c(C)c3[C-](c3c(C)c(C)c(C)c(C)c3C)c3c(C)c(C)c(C)c(C)c32)c2c([B-](=[B+])[B-]([B+])=[B+])c(C)c(C)c(B([B-]([B+])=[B+])[B-](=[B+])[B-]#B)c12"]
["50677825","[B]=c1c([B-]#B)c([B-]([B+])=[B+])c(C)c([B-](=[B+])[B-]([B+])=[B+])c1=C1C(c2c(C)c(C)c(C)c(C)c2C)=NC2=[N+]1[C-](P(P)P)C(PP)=C(P)[N-]2"]
["174151150","[B]=c1c([B-]#B)c([B-]([B+])=[B+])c(=C2c3c(C)c(C)c(C)c(C)c3[C-](c3c(C)c(C)c(C)c(C)c3C)c3c(C)c(C)c(C)c(C)c32)c2c([B-](=[B+])[B-]([B+])=[B+])c(B([B-]#B)[B-]([B+])=[B+])c(C)c(B([B-]([B+])=[B+])[B-](=[B+])[B-]#B)c12"]
["191993838","[B]=c1c([B-]#B)c([B-]([B+])=[B+])c(=c2c3c(c(C)c4c(C)c(C)c(C)c(C)c24)[C-](c2c(C)c(C)c(C)c4c(C)c(C)c(C)c(C)c24)C(C)=C(C)C=3C)c2c([B-](=[B+])[B-]([B+])=[B+])c(C)c(C)c(B([B-]([B+])=[B+])[B-](=[B+])[B-]#B)c12"]
["171714497","[CH-]=C1C[C-]=C(C=C2N=C(/C(Cl)=C3\\N=C(/C(Cl)=C(\\[NH-])C(Cl)=[C+]Cl)C(Cl)=C3Cl)C(Cl)=C2Cl)N1.[Zn]"]
["70459463","COc1cc(C=C(Cl)C2N=C(O)C3CC(OC)C(OC)CC3N2)cc(Cl)c1OC"]
["173006017","[CH-]=C1C=CC(C=C2C=CC(C=C3C=CC(C=C(N)C=C=C([O-])O)=N3)=N2)=N1.[Zn]"]
["MCULE-1536124271","CC(C)c1cc(Cl)nc(N=C(O)[C@H]2CC(=O)CN2C(=O)OC(C)(C)C)n1"]
["56518696","COc1cc(C=C2N=C(c3cc(I)ccc3Cl)OC2=O)cc(Cl)c1OC(C)=O"]
["171426951","[CH-]=C1[CH+]C=C(C=C2N=C(/C(CC)=C3\\N=C(/C(CC)=C(\\N)C(=CCC)CC)C(CC)=C3CC)C(CC)=C2CC)N1.[Zn]"]
["115034903","CCC1(C)CN=C2NC(Cl)=NC=C2N=C1O"]
["69676566","COc1cc(C=CC2CC(C=Cc3cc(OC)c(OC)c(OC)c3)NC(S)=N2)cc(OC)c1OC"]
["182304844","O=CC1=NC(Cl)=C2C(=O)CCN=C2N1"]
["23383625","COc1cc(C=C2N=C(c3cc(Cl)ccc3Cl)OC2=O)cc(Cl)c1OC(C)=O"]
["162727454","CC1(C)CN=C(SCC(Cl)=CCl)NC1"]
["MCULE-8760362137","CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(O)=Nc1nc(Cl)c2ncnc-2[nH]1"]
["180087634","CCCC1CC(CCC2CC3CCCC(C)CC(CC)CCC4CC[C@@H](CCC5CC([N+](=O)CC6CCC6)[C@@H]5C(C2)C3C)C4CCC2CCCCCCCC2)C1"]
["175366315","C1CC1.CCCc1ccc(OC)cc1.CCOc1ccc(-c2ccc(OCC3CCC4CC(C)CCC4C3)c(F)c2F)c(F)c1F"]
["54194681","C=CCOC(=O)CC(CC(=O)OCC=C)CC(CC)CC1CCCCCCCCCCCCCCC(CC(=O)OC(C)(C)C)CCCC1"]
["96380203","CN(CC(O)=NCC1CCCCCCC1)C(=O)c1ccc(Br)o1"]
["141361430","CC1CCCC(CN=C(O)CN=C(O)OC(C)(C)C)C1"]
["191022844","CC1CCC(CC2CCC(C)CC2)CC1.CCC1CCCC(CC)C1"]
["173238082","CCCC1CCCCC1.CCCN"]
["49817683","CCC1CCCC(OC(=O)[C@H](N)c2ccccc2)C1"]
["56783740","CCC1CCC(C(=O)O)C(SC2CCCC(C)C2)C1"]
["178898140","CCCC1CCC(C2CCC(CC3CCCCCCCC3)C2)CC1"]
["178769246","CCC1CCC(CC(CC2CCCC2)C2CCC(C)CC2)C1"]
["150114657","CCC1CCCCCCCCCC(C)(C)CCC1"]
["58534946","C[Si]1=[Si][Si]#[Si][Si]#[Si]O1"]
["172614623","CCCCC[Si]1=[Si][Si]#[Si][Si]#[Si]1"]
["63117472","C[Si]1=[Si]=[Si]=[Si]=[Si]1"]
["198114150","C[Si]1N([Si](C)(C)C)CCN1[Si](C)(C)C"]
["91536511","CO[Si]1=[Si][Si]#[Si]1"]
["57314335","C[Si]1=[Si]=[O+]P([O])O1"]
["175342556","C=c1oc(=O)[c-]2c1=CC=C=C2.O.[Y]"]
["168498022","F[Si]1=[Si][Si]#[Si][Si]#[Si]1"]
["91536530","CO[Si]1=[Si][Si]#[Si][Si]#[Si]1"]
["67385614","C[Si]1CCO[Si]#[Si]1"]
["172614627","CCC[Si]1=[Si][Si]#[Si][Si]#[Si]1"]
["52354294","CN(C)SN=C(O)Cl"]
["62367384","C=[P+]1NP(Cl)N(Cl)P(Cl)N1Cl"]
["173409234","ClN1P(Cl)NPNP1Cl"]
["175483074","COC(=O)OC.ClN1P(Cl)N=P(Cl)(Cl)N(Cl)P1Cl"]
["84026917","C=C1OP(Cl)OC(=C)C1(Cl)Cl"]
["173318114","ClN1CNCN(Cl)C1.[H-].[Na+]"]
["26204085","ClP1N(c2ccccc2)P(Cl)N1c1ccccc1"]
["175518484","ClN1P(Cl)N=P(Cl)(Cl)N(Cl)P1Cl.N.P"]
["175359945","N#CN1P(Cl)N(Cl)[P+](Cl)(Cl)N=P1(Cl)Cl"]
["25120782","CP1(Cl)=NP(Cl)N(Cl)P(Cl)N1Cl"]
["59656016","CC#CP1(Cl)=NP(Cl)N(Cl)P(Cl)N1C"]
["175113033","C=C(C)C(=O)O.C=C(C)C(=O)OC.ClN1P(Cl)N=P(Cl)(Cl)N(Cl)P1Cl"]
["70145923","C=[P+]1C[P+](=C)N1"]
["97390709","C1CC2CCC1[C]1C2=c2c3c(c4c(c2=C2[C+]1C1CCC2CC1)C1CCC4CC1)C1CCC3CC1"]
["57319173","C1CC1c1nc(=NCC(C2CC2)C2CC2)s[nH]1"]
["101173366","Cc1ccc(S(=O)(=O)N2CC=C(C3CC3)C2)cc1"]
["MCULE-4550262434","Cc1nn(C(C)C(C)C)c(I)c1C1CC1"]
["47180403","C1=CC(=C2C3=C(C4=C(C5=C2C2CCC5CC2)C2CCC4CC2)C2CCC3CC2)[CH+][CH+]C1=C1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1"]
["83949394","CCOP1(=O)C=CC=C(C2CC2)O1"]
["MCULE-6347376367","Cc1ccc(Cn2nc(C3(C)CC3)c(C3CC3)c2Br)c(Cl)c1"]
["43897947","[Br+]=C1C=CC(=C2C3=C(C4=C(C5=C2C2CCC5CC2)C2CCC4CC2)C2CCC3CC2)C=C1"]
["32848930","Brc1sc(Br)c2c1[C@H]1CC[C@@H]2CC1"]
["MCULE-9371785910","Ic1c(C2CCC2)c(C2CC2)nn1C1CCSCC1"]
["78093695","C1=C2CCCC3CCC4CCCC(C1)C4=C23"]
["111724529","Nc1nsc(N2C3CCC2CC(O)C3)c1C1CC1"]
["175932446","[2H]C1CCCC#CC1([2H])[2H]"]
["184072765","[N-]=[N+]=NC(=O)C1C#CCCCC1"]
["190946019","C#CC(C)(C)C.CC(C)(C)C1C#CCCCCC1"]
["180710363","C1#CC2(CCCC1)CCCC2"]
["62822301","OC1C#CCCCCCCC1"]
["73995638","C1#CCCCC1.CC(=O)O"]
["200220799","CC(C)C1CCCCC#CC1(C)F"]
["42536819","[C]1CCCCC1.[Hf+2]"]
["79913160","[CH2]N1C#CCCC1"]
["44995088","CC1(F)CCC#CCC1"]
["176098701","[2H]C1C[Si]([2H])([2H])C([2H])([2H])C1([2H])[2H]"]
["150007792","C1#CCCCCCC1.CCC"]
["161758991","[Si]CCB(CC[Si+])CC[Si-]"]
["145568565","OCCB(CCO)CCO"]
["166570861","[Si]CCC=C(Cl)Cl"]
["196853737","[Si+]CCC(CC[Si+])(CC[Si-])CC[Si-]"]
["25501729","CC(C)CCB(CCCCB(CCC(C)C)CCC(C)C)CCC(C)C"]
["99320498","N#CC(C#N)(C#N)CC[Si]"]
["170627863","O=C(O)C1OCCOCCOC(C(=O)SCCC[Si-])C(C(=O)O)OCCOCCOC1C(=O)SCCC[Si+]"]
["53271606","[CH2-]C(F)(F)CC[Si].[Y]"]
["99382348","CNC(CC[Si])(C(C)(C)C)C(C)(C)C"]
["99453732","[Si]C/C=C/CC(Cl)(Cl)Cl"]
["67056778","CC(C)(C)CC[Si]"]
["172116735","C[Si](C)(C[Si+])C[Si-]"]
["69736742","FC(F)(F)C12C3=C4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%19c%16c%16c(c%11%15)C%10(C(F)(F)F)C%10C(C%11C%15=C%19C%24C%25C%26C%27C%28(C(F)(F)F)C%29=C%30C(C1C(C%29C%21(C(F)(F)F)C%28=C(C%15%26C(F)(F)F)C%22%11C(F)(F)F)C%20(C(F)(F)F)C%18=C2C(C3C%13(C(F)(F)F)c5c8%12)C%17%14C(F)(F)F)C4(C(F)(F)F)C1C%30C%27(C(F)(F)F)C%25C(C7C%24C9(C(F)(F)F)C%19%10)C61C(F)(F)F)C%23%16C(F)(F)F"]
["34349241","FC(F)(F)C12C3=C4c5c6c7c8c9c5C5(C(F)(F)F)c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c%20c%17c%17c(c%12%16)C%11(C(F)(F)F)C(C45)C(C3C%23(C(F)(F)F)C1=C1C3(C(F)(F)F)C4=C5C%11C%12C(C4C1%22C(F)(F)F)C%21(C(F)(F)F)C%19=C1C(C4C(=C%16c%19c(c-9c%10c%13c%19C%144C(F)(F)F)C8(C(F)(F)F)C(C5C7(C(F)(F)F)C3C62)C%16%11C(F)(F)F)C1%12C(F)(F)F)C%18%15C(F)(F)F)C%24%17C(F)(F)F"]
["32588583","FC(F)(F)C12C3=C4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%11c8c5C%15(C(F)(F)F)C3C3C1=C1C5(C(F)(F)F)c8c%11c%15c%16c%17c8C8(C(F)(F)F)c%18c%19c%20c%21c%22c%18c%18c%23c%24c(c-6c6c(c%24%22)C%21(C(F)(F)F)C%21C%22=C%20C(C%20C(C%22C9(C(F)(F)F)C%21C67C(F)(F)F)C%10(C(F)(F)F)C%12=C(C%15(C(F)(F)F)C%13C(C1%11C(F)(F)F)C%143C(F)(F)F)C%16%20C(F)(F)F)C%17%19C(F)(F)F)C4(C(F)(F)F)C%23C2C5C%188"]
["100914548","FC(F)(F)C12C3=C4c5c6c7c8c9c5C5(C(F)(F)F)c%10c%11c%12c%13c(c%14c%15c%16c%17c(c8%14)C7(C(F)(F)F)C7C(c8c%14c%18c%19c(c81)c1c2c2c8c%20c1c1c%21c%22c%23c(c%191)C%18(C(F)(F)F)C(=C%17C%147C(F)(F)F)C%16(C(F)(F)F)C%23C(C%22(C(F)(F)F)C=%12C(C(F)(F)F)(C=%11C8C5C42C(F)(F)F)C%20%21C(F)(F)F)C%15%13C(F)(F)F)C36C(F)(F)F)c%109"]
["33587777","FC(F)(F)C12C3=C4c5c6c7c8c9c5C5(C(F)(F)F)C%10=C%11C%12C%13C%14=C%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c%25c%26c(c-9c%10c9c%26c%23c(c(c%18%22)C%17%13C(F)(F)F)C9%12C(F)(F)F)C8(C(F)(F)F)C8C9C%10=C%12C%13C(C(C%10C%258C(F)(F)F)C%24%21C(F)(F)F)C%20(C(F)(F)F)c8c%10c%17c(c%16c8%19)C%15(C(F)(F)F)C(C(C45)C%11%14C(F)(F)F)C3C%17(C(F)(F)F)C1=C(C%12(C(F)(F)F)C(C62)C79C(F)(F)F)C%10%13C(F)(F)F"]
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["158729727","CC1(C)CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[C@H]1O"]
["22928613","CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccc(Br)cc2Br)C1=O"]
["185268748","CCCCCCc1ccc2c(c1)Oc1cccc3c1N2c1ccc(Br)cc1O3"]
["147770007","ClB1B=BB=BC2[B]C2B(Cl)B(Cl)B=B1"]
["161783784","B1=BB=BC2B=[B-]=BC2B=B1.[K+]"]
["55983189","NN=C(NN)NN.[B]1B=BC2B=BB=BC2B=B1"]
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["42611764","CCN(CC)CC.[B]1B=BC2B=BB=BC2B=B1"]
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["58817347","[B]1B2B=BB=BB=BB=BC1C2"]
["80506780","[B]1B=BC2B=BB=BC2B=B1.[B]1B=BC2B=BB=BC2B=B1.[Co]"]
["147770009","BrB1B=BB=BC2[B]C2B(Br)B(Br)B=B1"]
["57795732","[B]1B=BC2B=BB=BC2B=B1"]
["51286267","NB1B=BB=BB=BB=BC2[B]C12"]
["145765640","c1cn2cc[n-][n+]2c1"]
["175359854","CC(=O)On1cc[n+](C)c1.[BH4-]"]
["149690656","[CH2-][n+]1cccn1-c1ccccc1C"]
["75554571","C=Cn1cc[n+](C)c1.CCl"]
["177719679","CCC(C#N)n1cc[n+](C)c1.N#C[N-]C#N"]
["183437138","Cc1n(C)cc[n+]1[N-][N+]#N"]
["51215238","CSC([S-])=C(C=C(C#N)C#[NH+])[n+]1ccccc1"]
["62700179","[O-][Cl+3]([O-])([O-])[O-].c1cc[n+](CCCCC[n+]2ccccc2)cc1"]
["199237508","C[n+]1ccccc1.[C-]#N"]
["56872608","N#CCC[n+]1ccccc1"]
["178563461","C1=C2CCn3ccc[n+]3C2=CCC1"]
["192644168","C[n+]1ccn(S)c1.[Br-]"]
["101303044","[CH2+][CH+]C[PH2-]1([F+])[N][PH2-](F)(F)[N][PH2-](F)(F)[N]1"]
["101304571","FC(F)(F)CO[PH2-]1(OCC(F)(F)F)[N][PH2-](OCC(F)(F)F)(OCC(F)(F)F)[N][PH2-](OCC(F)(F)F)(OCC([F+])([F+])[F+])[N]1"]
["79139687","[CH2+][CH+]C[SH](=O)([O-])[O-]"]
["26336565","C=CC[Si]([O-])([O-])C[CH+][CH2+]"]
["25444253","[CH2-]C(C)OCC(C)OCC(C)OC[CH+]C"]
["156289098","[CH2+][CH+][B-](F)(F)F"]
["79609015","[CH2+]C/C=C/C[S-]"]
["99682405","[CH2+][CH+]C[As-].[Cl-]"]
["97045075","[CH2+][CH+]C[N-]"]
["96513307","[CH2+][CH+]C[O-]"]
["78163526","[CH2+][CH+]CO[PH2]([O-])[O-]"]
["101303043","C/C=C/[PH2-]1([F+])[N][PH2-](F)(F)[N][PH2-]([F+])([F+])[N]1"]
["CNP0277224.1","[20CH3][18C@@H]1[19CH2]N2[7CH2][C@H]3C[11CH2][10C]4=[9C]5[15C@H](C[17CH2]4)[14C@H]([22C](=O)O[23CH3])[13CH2][8C@@]54[1C](=O)[2C@@]12[3CH2][4CH2][5C@@]34[21CH3]"]
["175408000","CC#CCN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)nc23)C1"]
["95908567","CNC(C)C1CCCCN1S(=O)(=O)c1ccnn1C"]
["109757811","CCCS(=O)(=O)N1CCCC[C@@H]1C(O)=NCc1ccc(Oc2ccc(F)cc2)nc1"]
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["107363243","COCCN(C(=O)c1cccc2c1ccn2C)[C@H]1CCS(=O)(=O)C1"]
["55625594","CCCS(=O)(=O)N1CCCCC1C(O)=NCc1ccc(Oc2ccc(F)cc2)nc1"]
["109757812","CCCS(=O)(=O)N1CCCC[C@H]1C(O)=NCc1ccc(Oc2ccc(F)cc2)nc1"]
["44592197","CNC(C)C1CCCCN1S(=O)(=O)CCCOC"]
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["8039895","COCc1nn2c(ncc3c(=O)n([C@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccc(F)cc1"]
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["24058872","FB1C[B-]2(F)B(F)[B-](F)(B(F)B(F)B(F)B(F)B(F)B1F)B2F.[K+].[K+]"]
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["83622757","O[NH+]=C1CN2CCC1CC2"]
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["171046756","CCC[Ge](CCC)(CCC)OCC(C)(C)CO[Ge](C)(C)C"]
["50029813","CCCCOc1nc(Cl)nc(OCCCC)n1"]
["161705752","C[Si](C)(C)O[Ge](C)(C)O[Si](C)(C)C"]
["91674460","C[Ge](C)(C)OP(=O)(Cl)Cl"]
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["79939755","CCCCC[Ge](C)(C)O[Ge](CCC)(CCC)CCCCC"]
["84191081","C=C(O[Ge](C)(C)C)C(C)(C)C"]
["60925358","COP(=O)(OC)O[Ge](C)(C)C"]
["196878093","C[Ge](C)O[Ge](C)(C)C"]
["26112120","CCCOC(=O)C[O+]=[N-]"]
["161829617","CC(C)(C)O[Ge](C)(C)OC(C)(C)C"]
["184452484","OC([N-][N-][C+](O)I)=IS"]
["196748697","O[B-](O)=IN(I)I"]
["178464092","CI=C(O)[N-][N-][C+](N)F"]
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["175866416","CC(=O)N(Cl)[C@@H](CS)C(=O)O"]
["157978279","CN=C(O)c1cnc(S)[nH]1"]
["139482660","Cc1cc(Cl)cc(N=C(O)c2cnc(S)[nH]2)c1O"]
["191687","NN=C(O)c1cnc(S)[nH]1"]
["164620189","C=CC(O)=NS(C)(C)S"]
["121945148","CC(N=C(O)c1cnc(S)[nH]1)C(O)=NC(C)(C)C"]
["79965044","NC(S)(S)CC[Si](O)(O)O"]
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["161654069","Br[Si]1C[Si](=[Br+])C[Si-](Br)C1"]
["195275028","[Cl+]=[Si]1C[Si-](Br)C1"]
["55626298","Br[Si]1CCCCC1"]
["195274939","CC[Si]1(CC)C[Si](Br)C1"]
["195275098","C[Si]1(C)CC[Si](Br)CC1"]
["195275116","CC[Si]1(Br)C[Si](Br)C1"]
["161874414","Br[Si-]1CC1.[Li+]"]
["195275056","C[Si]1(Br)C[Si](Br)C1"]
["161696190","Br[Si]1C[Si-]C[Si+](Br)C1"]
["110961419","Br[Si]1C[SiH2]1"]
["173776561","C#C[Si-]1C[Si](=C=[CH+])C1"]
["195274987","Br[Si-]1CC[Si](=[Br+])CC1"]
["78482690","B/N=N/C=N\\NC=N"]
["174934289","CCCC.CCCCCNC.CCc1ccc2[nH]cc(/C=N/NC=N)c2c1"]
["182088280","[N-]=[N+]=NNN=CN=N"]
["186493379","C=C(F)/C=C(/F)NC=N"]
["161413021","C=CN/N=C(\\C=N)CC"]
["26926342","N=CNC(Cl)Cl"]
["161329177","N=CNC=N.P"]
["45248529","CC(=O)C(=NNC=N)C(C)=O"]
["179158054","CC(C)=CN=CN=N"]
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["78506230","CN(C)/C=N\\NC=N"]
["97375965","C#[N+]NC=N"]
["175107195","ClB=BB(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)Cl"]
["79571406","C=C(B(Cl)Cl)B(Cl)Cl"]
["78163782","ClB(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)Cl.[Li+]"]
["183149586","CCB(Cl)B(Cl)B(Cl)Cl"]
["175224301","Cl[B]B=BB(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)Cl"]
["91589913","Cl[B]Cc1ccccc1B(Cl)Cl"]
["193363534","ClB(Cl)Cl.Cl[B]Cl"]
["173412631","ClB(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)Cl.[H-].[Li+]"]
["43006826","ClB=[B-](Cl)B(Cl)B(Cl)[B+]Cl"]
["173412632","ClB(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)B(Cl)Cl"]
["173958801","Cl[B]B(Cl)Cl"]
["170536837","ClB=[B-](Cl)B(Cl)[B-](Cl)=BCl"]
["172429440","[NH-]C=C1C(=O)C(=O)C(=[Cl+])C(=O)C1=[OH+]"]
["173214817","O=c1c(O)c(O)c(=O)c(=O)c1=O.[H-].[Na+]"]
["48083048","O=C1C(=O)C1=Cc1ccccc1"]
["174662548","O=C1CCC(O)=C(Br)/C1=C/O"]
["26772250","CCN1C(=O)C(=CN(C)C(C)C)C(=O)N(CC)S1(=O)=O"]
["45323813","CC(C)(C)Oc1c(O)c(=O)c(=O)c1=O"]
["185697544","C=CC1=NC=C(O)C1=O"]
["190651572","C[N+]1=CC=CC(=O)C1=C[NH-].I"]
["168379894","O=C1[CH+]C(O)=CCC1=CO"]
["66865588","C=CC1=C(O)/C(=C\\C)C1=O"]
["164298262","O=C(O)C1=C(O)CCC1=O"]
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["107180358","CCCN[C@H](C)c1cn2ccsc2n1"]
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["52089911","CCCNCc1ncc(C2C(C)(C)C2(C)C)o1"]
["58108642","CCCNC(c1ccc(C(C)(C)C)cc1)c1nccn1C"]
["100399701","C=C(C)O[Si](OC(=C)C)(OC(=C)C)C1=NC(=NCCN)N(NCCC)C([Si](OC(=C)C)(OC(=C)C)OC(=C)C)N1"]
["13860213","CCCNC(=O)c1c(C(=O)[O-])cnn1C"]
["98325930","CCC(CC(CC)(CC)C(OC(=O)C(C)(CC)CC(C)(CC)C(O)C(CC)(CC)CC(C)(C)CC)C(C)(CC)CC)C(=O)OC(C)(C)CC(C)(C)CC"]
["175743340","CCC(C)(P)C(=O)OC(C)(C)C1CCC(C)CC1"]
["75658994","CCC(C)(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)OC(C(F)(F)F)C(F)(F)F"]
["47282690","CCCCC(CC)C(=O)OC(C)C[P+](CCCC)(CCCC)CCCC"]
["51990053","CCC(C)NC(CC(C)(C)C)C(=O)OC"]
["174883185","CC(C)[C@H](N=C(O)OC(C)(C)C)C(=O)OC(=O)CCC(=O)OC(=O)[C@@H](N=C(O)OC(C)(C)C)C(C)C"]
["150143035","CCC(CC(C)(C)CC)C(C)OC(=O)CCNCCCN(C)C"]
["46082846","CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C"]
["MCULE-2901822860","CCC(CC)C(=O)ON=C(C)C"]
["5605458","CCCC[C@H](CC)C(=O)Oc1cc(COC)nn1-c1cccc(Cl)c1"]
["5897054","C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)Cc3sc(COC(=O)C(C)(C)C)nc3[C@@H](C)[C@@H]2[C@H]1O"]
["108167316","[C-]#[N+][C@@](C)(CC(C)C)C(=O)OC"]
["180825654","C1S[Ge-]2(=S=I1)SCC(CSCC1CS1)S2"]
["177142116","C([Te]CC1CS1)[Te]CC1CS1"]
["73548811","c1cc(CSCC2CSS2)ccc1CSCC1CS1"]
["174752793","O=S(=O)(O)C(CC=S)CC1CS1"]
["79463951","C(OCC1CS1)C1C[Se]C(COCC2CS2)[Se]C1"]
["166224546","N=C(O)CCSCC1CSC(=S)S1"]
["68543414","C(SCC1CC2SC2C1)C(CSCC1CS1)CSCC1CS1"]
["174424461","[TeH]C([TeH])CC1CS1"]
["188836409","C(CSCC1CS1)NCC1CS1"]
["75507001","C(CSCC1CO1)SCCC1CSC(CSCCSCC2CS2)CS1"]
["73880997","O=C1N(CCSCC2CS2)CCN1C(CSCC1CS1)CSCC1CS1"]
["181639032","[Se]OCC1CS1"]
["96842969","[2H][C]1C([2H])=CC([2H])=C([2H])[C+]1[2H]"]
["100852895","[2H]C1=C([2H])[C+]([2H])C(O)C([2H])=C1[2H]"]
["161674362","[2H]C1=CC([2H])=CN[B]1"]
["161476619","[2H]c1c([2H])c(C(=O)c2c([2H])c([2H])c(Cl)c([2H])c2[2H])c([2H])c([2H])c1Cl"]
["180601380","O[N+]1=CC=CI=C1"]
["182698633","[2H]C1=C([2H])CC([2H])(C2=COC=CO2)C=C1"]
["97516507","[2H]C1=CC=[C+]C=C1"]
["47688675","[2H]C1=C([2H])C2([2H])C([2H])(C([2H])=C1[2H])C1([2H])C([2H])=C([2H])C([2H])=C([2H])C21[2H]"]
["97021200","[2H]C1=[C+]C=CC=C1[2H]"]
["182086585","O=S1C=C(S(=O)(=O)O)NS1"]
["99862735","[2H]c1c([2H])c(C(=O)c2c([2H])c([2H])c(OC)c([2H])c2[2H])c([2H])c([2H])c1OC"]
["172402104","[2H]c1nc(O)nc([2H])c1Br"]
["174105319","C[C-]1N=C=N[C-]=N1.[Er].[Na+]"]
["33530138","CC1(C)O[C@H]2[C@@](C)(O1)[C@@H]1C=C(O[Si](C)(C)C)[C@@]2(C)O1"]
["184403908","CC(C)N1CCN2N=C=N[C-]2C1.[Rh]"]
["179686229","CC[O-].ClC1C=C=N[C-]=N1.[U+2]"]
["79962882","C[C]1C#CN=C=N1"]
["195853085","CI(C)C1C=C=N[C-]=N1.[Re]"]
["190029209","Cc1cc(N)cc(C)c1O[C-]1N=C=NC2=C1CNCC2.[CH3-].[Os+2]"]
["175966048","C[C-]1N=CC(C)S1.[Re]"]
["44271794","CN[C-]1N=C=CS1.[Rb+]"]
["174747512","C[C-]1N=C=NS1.[Lr]"]
["54608569","C[C-]1ON=C=C1C(C)(C)C.[Rb+]"]
["178128194","[B+]=C1I=NN(C)[C-]1C"]
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["45983062","C[Si](C)=[O+][Si-]1(O[Si-](C)C)=[Si-]([O+]=[Si](C)C)([O+]=[Si](C)C)CCCO1"]
["168466682","C[Si](C)=[O+][Si]1(c2ccccc2)O[Si-]2(c3ccccc3)=[Si-]3(c4ccccc4)O[Si]([O+]=[Si](C)C)(c4ccccc4)O[Si-](c4ccccc4)(=[Si-](c4ccccc4)(O1)O[Si]([O+]=[Si](C)C)(c1ccccc1)O2)O[Si]([O+]=[Si](C)C)(c1ccccc1)O3"]
["149006053","C[Si](C)=[O+][Si]1(c2ccccc2)OC(C)(C)C[Si-](C)(C)=[Si]1"]
["52382178","C[Si]12O[SiH]3O[Si]4(C)O[SiH](O1)O[Si]1(C)O[SiH](O2)O[Si](C)(O3)O[SiH](O4)O1"]
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["91119947","C[Si](C)=[O+][Si](C)(C)C"]
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["177174242","[CH+]C=C[N-]/C=C/[N-]C=C[CH-].[In+].[In+]"]
["170929396","[CH-]/C=C\\C=[C]N.[W].[W]"]
["185910377","CC(C)(C)[PH+](/C=C\\[N-]/C=C\\[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.CP(C)(C)=[N-].[Pt+2]"]
["161759453","[CH-]/C=C\\C[CH2].[Cr]"]
["178835934","[CH-][CH-]C(C=[CH-])[I]I.[U+2]"]
["161810805","[CH+]=C(C=[CH-])C=O.[In]"]
["176304158","[CH+]C=[CH-].[Sb].[Tl]"]
["100858644","[CH-]/C=C\\[CH2+].[H].[Ti]"]
["185816639","[CH+]=C(C)C=[CH-].[Th]"]
["91010540","[Bi].[CH+]C=[CH-]"]
["175769665","[Al].[CH+]C=[CH-].[Cr]"]
["175902730","[CH+]C=[CH-].[I-].[Sb]"]
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["172296366","FC(F)(F)CN1C[CH-]CC1.[Y]"]
["65519688","OC(CC(F)(F)F)=NCCCl"]
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["79441061","[CH2]CSCCC(F)(F)F"]
["78691070","[CH2]C(F)(F)C(F)(F)CC(F)(F)F"]
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["98192090","CC1(C)CNCC(C)(C)NC1"]
["91578658","CC(C)CC1(C)NCCCN1"]
["107546023","COc1cc(C(C)C)ccc1[C@]1(C)CN1"]
["85830716","Cc1nc(CC2(CC(C)C)CNC2)sc1C"]
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["161764964","FC1(F)CNCN1"]
["150720946","C[C@]12CNCCCN1CCCN2"]
["187275920","COC1CCC2(CNC2)C1.Cl"]
["161834368","CC12CCC(C)(CC1)C2(C)C"]
["107625639","Cc1coc([C@@]2(C)CCCN2)n1"]
["197384948","CC(C)(C)n1nnc(CC2(O)CNC2)n1"]
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["169644134","COc1cc(OC)c(P(C)C)c(OC)c1"]
["97405858","COCC/C=C/CC/C=C/CCOC"]
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["65236487","CP(C)OC=O"]
["198402047","COP(C)C.P"]
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["78965981","CCCCCOP(C)C"]
["91667416","CP(OCCF)OCCF"]
["78086036","COP(C)O[P@@](C)OP(C)C"]
["101953515","CO[SiH](C)O[Si](C)(C)O[SiH](O[Si]12O[SiH]([SiH](C)O[SiH](C)O[SiH](C)C)O[SiH](C)O[Si](C)(O[Si](C)(O[SiH](C)C)O[SiH]3O[Si](C)(O[SiH]3C)O1)O2)[Si](C)(C)C"]
["194346177","CO[SiH](C)O[Si](C)(C)OC[SiH](C)C"]
["101525461","CC[SiH](C)O[SiH](CC)O[SiH](CC)[SiH]1O[SiH](C)O[Si]2(CC)O[Si](C)(O[SiH](C)CC)O[SiH]3O[Si](C)(O[SiH]3C)O[Si](O[SiH](O[Si](C)(CC)O[SiH](CC)OC)[Si](C)(C)CC)(O1)O2"]
["98954097","CO[Si]1(C)O[Si]2(C)O[Si]3(C)O[SiH](C)O[Si]4(C)O[Si](C)(O3)O[Si](C)(O2)O[Si@](C)(O1)O4"]
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["145721196","CO[SiH](C)O[Si](C)(C)O[SiH](O[Si](C)(C)O[SiH](OC)OC)O[Si](C)(C)O[SiH](OC)OC"]
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["194080452","C=C[Si](C)(C)OC.CO[SiH](c1ccccc1)c1ccccc1.C[SiH]1O[Si]2(C)O[Si]3(C)O[Si](C)(O[SiH3])O[Si]4(C)O[Si](C)(O1)O[Si](C)(O2)O[Si](C)(O3)O4"]
["192891041","C=C[Si](C)(C)OC.CO[SiH](C)C.C[SiH]1O[Si]2(C)O[Si]3(C)O[Si](C)(O[SiH3])O[Si]4(C)O[Si](C)(O1)O[Si](C)(O2)O[Si](C)(O3)O4"]
["186409944","CCc1nocc1Cn1c(=O)cnc2ccc(OC)cc21"]
["193705066","CO[Si](C)(C)[Si](C)(C)O[SiH](C)O[Si](C)(C)O[Si](C)(OC)[Si](C)(C)O[Si](C)(C)C.CO[Si](C)(C)[Si](C)(C)O[SiH](C)O[Si](C)(C)O[Si](C)(OC)[Si](C)(C)O[Si](C)(C)C.C[SiH]1O[Si](C)(C)CCCCO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1"]
["96857855","Cl[C]1C(Cl)=C(C(c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C(Cl)=C(Cl)C1=C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["114200986","Cc1cscc1C(O)Cc1cccc(Cl)c1Cl"]
["85316032","CCNC(c1ccc(Cl)s1)c1cscc1C"]
["74085413","O=C(CCCC(=O)OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O)OC(=O)c1ccccc1C(=O)O"]
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["23865567","Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O"]
["21626318","Cc1cccc(C(O)=Nc2ccc([N-]S(C)(=O)=O)c(Cl)c2)c1C"]
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["32855835","[N]=C=C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Na+]"]
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["101239488","C[Si]1(C)[Si](C)(C)[Si]2(C)[Si](C)(C)[Si](C)(C)[Si]3(C)[Si](C)(C)[Si](C)(C)[Si]1(C)[Si]23C"]
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["33972809","C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si]2(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]2(C)[Si]1(C)C"]
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["96750951","CP1[Si](C)(C)[Si](C)(C)P(C)[Si](C)(C)[Si]1(C)C"]
["96518639","C[Si]1(C)[P@](C)[Si](C)(C)[Si](C)(C)[P@@](C)[Si]1(C)C"]
["170542743","C[Si]1(C)[Si](C)(C)[Si]2(C)[Si@@]3(C)[Si](C)(C)[Si]1(C)[Si](C)(C)[Si@]2(C)[Si](C)(C)[Si]3(C)C"]
["91656947","[O-][n+]1onc2c1C1=NO[NH+]([O-])C1=N[NH+]2[O-]"]
["34608699","N=c1[nH]nc(-c2c(N)no[n+]2[O-])o1"]
["48219902","O=S(=O)(Cl)c1ccc(-c2c(-c3ccccc3)no[n+]2[O-])cc1"]
["168601890","Nc1c([N+](=O)[O-])c([N+](=O)[O-])c2no[n+]([O-])c2c1N"]
["34077973","[O-][n+]1onc(-c2ccccc2)c1SCc1ccccc1"]
["44786337","N=C(O)c1cccc2c1no[n+]2[O-]"]
["91394105","CCNc1cc2no[n+]([O-])c2cc1F"]
["26525223","O=c1[nH]c2cc(Cl)c3no[n+]([O-])c3c2[nH]c1=O"]
["21529502","C[C@@H]1[C@](C)([NH3+])[N+]([O-])=C2CCc3c(no[n+]3[O-])[C@@]21O"]
["25697337","[O-][n+]1onc2ncccc21"]
["200249167","O=[N+]([O-])c1c(Cl)cc2c(no[n+]2[O-])c1Nc1c(Cl)cc(Cl)cc1Cl"]
["170661663","N=C(O)CN1c2nonc2-c2no[n+]([O-])c2-c2nonc21"]
["186301748","CB(SC#N)SB(BB(SB(SC#N)SC#N)SB(SC#N)SC#N)SB(C)SC#N"]
["60196289","N#CSC#N.[Cu]"]
["68693368","CCC(C)SCCC(C#N)NC(C)C"]
["183629187","CC(C)OB(C#N)C#N"]
["170799609","CCOc1ccc(C=CCC#N)cc1"]
["81473230","N#CSB(P)P"]
["16817150","N#CSCc1c(Cl)cccc1Cl"]
["15633982","CC(=O)CSC#N"]
["84147175","C[Si](C)(C)OCCSC#N"]
["181208017","CCCCOCSC#N"]
["99097635","CN=C(C#N)SC"]
["46898042","N#CS[Se]"]
["170660212","C1=CC2=C3C4=C(C=CC=[Ge]4C=C2)C=C[Ge]3=C1"]
["74393836","CCC(C=C1C=C[CH]S1)CC"]
["19024951","C1=CC(=C2CC=C[Se]2)C=C1"]
["199325613","C1=CC=[Ge](c2ccccc2)C=C1"]
["56006253","FN1C=CC=CC1=C1C=C[N+](=[F+])C=C1"]
["51328650","ClCC1CC1=C1C=CC=C1"]
["176280570","C1=CC=[Ge]2OC2=C1"]
["57104292","C1=CC(=C2C=C[N-]C=C2)C=C1.[Y+3]"]
["55202754","[Si-]=C1C=C[CH+]c2ccccc21"]
["32508463","C1=CC(=C2OCCO2)C=C1"]
["79464882","CC=CC=C1C=C[CH]N1"]
["91365069","C1=CC(=C2c3ccccc32)C=C1"]
["179761366","C1OC2COCOC2C2OCOC[I-]C2O1"]
["195746092","[B]1OCC=NC1[C@@H]1COCCO1"]
["104210631","CC(C)(C)N1COCO[C@@H]2CCC[C@@H]21"]
["2559902","OCCCC[C@H]1COCO1"]
["175104112","NCCN1CCN=C1C1COCO1"]
["26291860","[C]1=NOC2COCC12"]
["149816676","C=C(C(C)C)C1CC2COCC2O1"]
["104054102","C[C@@H]1OCO[C@@H]2COCO[C@@H]2[C@@H]1O"]
["104055405","ClCC(CCl)OC[C@@H]1COCO1"]
["182038412","FCC(F)C1CCOCO1"]
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["154939846","Bc1cc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc2c1sc1ccccc12"]
["161544369","ClSNSNSN(SCl)SN(SCl)SNSNSCl"]
["99375706","CC(N[Si](Cl)C(C)C)N(C)C"]
["25424782","CN(SCl)C(=N)O"]
["195981917","CCN(SCl)C(C)=O"]
["79516073","[CH2]CC(=O)CC(Cl)Cl"]
["78297055","CCNSCl"]
["181814638","N=C(O)NSNSNSNSNSNP"]
["26500682","CCOC(=O)CN(SCl)C(=O)OCC"]
["26996596","O=C(O)NSCl"]
["27060643","CC(=O)N(C)SCl"]
["91196217","CN(C)C(=O)C(=O)NSCl"]
["25078281","ClSNC1=NCNC1"]
["91074605","S1SS[Te]SS[Se]S1"]
["84187160","S1SS[Se][Se]S[Se]S1"]
["91535099","S1S[Se]S[Se]S1"]
["170849693","S1SSSSS[Se]SSSSS1"]
["170849692","S1SSSS[Se]SSSS1"]
["91074609","S1SS[Se]S[Te]SS1"]
["64402842","S1SS[Se]SS1"]
["78109230","CC(C)(S)[C@H](N)C(=O)O.S1S[Se]S1"]
["91393294","S1SS[Se]SS[Se]S1"]
["32424764","S1S[Se]SSS[Se]S1"]
["91074619","S1SSS[Te][Te]SS1"]
["170849652","S1SS[Se]SSSSS[Se]SS1"]
["99739165","CSSSB([B]B=BB(SSSC)C(C)C)[B+][B-](=BC(C)C)SSSC(C)C"]
["173979785","CSB(I)C(C)C"]
["176596545","CSSC(C)COC=O"]
["60303072","CC(C)B=[B-]([B+]B([B]B=BB(SSSC(C)C)C(C)C)SSSC(C)C)SSSC(C)C"]
["189240047","CSSNSCC(SSSC)P(=O)(O)O"]
["91074803","CC(C)SSSC(F)(F)F"]
["84016584","CC(C)SSSCCO"]
["169632100","C#SC(C)C(C)SSC"]
["84168351","CC(C)SSSSSC(C)C"]
["187880316","CCCC(C)C(SP)SSSC"]
["65691292","CSSSC(C)C"]
["181783547","CSc1nccc(CC(C(=O)C(Cc2ccnc(SC)n2)c2ccc(F)cc2)c2ccc(F)cc2)n1"]
["76239729","[1O]=[1N+]([1O-])[1c]1[1cH][1c]([1N+](=[1O])[1O-])[1c](-[1n]2[1cH][1c](Br)[1cH][1n]2)[1c]([1N+](=[1O])[1O-])[1cH]1"]
["76239733","[1O]=[1N+]([1O-])[1c]1[1cH][1c](Cl)[1cH][1c](S[1c]2[1cH][1c](Cl)[1cH][1c]([1N+](=[1O])[1O-])[1c]2[1OH])[1c]1[1OH]"]
["76239688","[1CH3][1c]1[1cH][1cH][1n][1c]([1N]2[1C](=[1O])[1c]3[1cH][1cH][1cH][1cH][1c]3[1C]2=[1O])[1c]1[1N+](=[1O])[1O-]"]
["76239914","[1CH3][1CH2][1CH2][1C](=[1O])[1O][1CH]([1C]#[1N])[1c]1[1cH][1cH][1c](-[1c]2[1cH][1cH][1c]([1N+](=[1O])[1O-])[1cH][1cH]2)[1o]1"]
["76239912","[1CH3][1c]1[1n][1c]2[1n]([1c]1[1CH3])[1N]([1c]1[1cH][1cH][1c]([1N+](=[1O])[1O-])[1cH][1cH]1)[1CH2][1CH2]S2"]
["76239646","[1O]=[1N+]([1O-])[1c]1[1cH][1cH][1c]([1F])[1cH][1c]1[1C]([1OH])=[1N][1c]1[1cH][1cH][1cH][1cH][1c]1I"]
["76239919","[1O]=[1c]1[1cH][1c]([1C@@H]2[1O][1C@H]2[1c]2[1cH][1cH][1c]([1N+](=[1O])[1O-])[1cH][1cH]2)[1o][1c]2[1cH][1cH][1cH][1cH][1c]12"]
["76239809","[1CH3][1O][1c]1[1cH][1c]([1CH]([1CH2][1O][1CH2][1C](=[1O])Cl)[1O][1CH2][1C](=[1O])Cl)[1c]([1N+](=[1O])[1O-])[1cH][1c]1[1O][1CH3]"]
["76239921","[1O]=[1c]1[1c]2[1cH][1cH][1cH][1cH][1c]2[1o][1c]2[1c]([1N+](=[1O])[1O-])[1cH][1c]([1N+](=[1O])[1O-])[1cH][1c]12"]
["76239738","[1O]=[1C]([1OH])[1CH2][1O][1CH2][1CH]([1O][1CH2][1C](=[1O])[1OH])[1c]1[1cH][1cH][1cH][1cH][1c]1[1N+](=[1O])[1O-]"]
["76239820","[1CH3][1c]1[1c](Br)[1c](Cl)[1n][1n]1-[1c]1[1cH][1cH][1c]([1N+](=[1O])[1O-])[1cH][1c]1[1N+](=[1O])[1O-]"]
["76239867","[1CH3][1O][1c]1[1cH][1cH][1cH][1cH][1c]1[1C](=[1O])[1n]1[1cH][1cH][1c]2[1cH][1c]([1N+](=[1O])[1O-])[1cH][1cH][1c]21"]
["174153504","[Co].[NH-]C1[C-]=CC=C=C1"]
["75955567","ClC1=C=Cc2cc3c(cc2=C1Cl)C(Cl)=C=CC=3"]
["96903947","N#CC1=CC=C=C[CH]1.[Pd]"]
["47537598","C1=CC=C2[C-]=CC=NC2C=1.[Y]"]
["46986238","CC1C=C=CC=C1C(=O)[O-].[Y]"]
["97665991","[CH-]=C1[C-]=CC=C=C1.[Li+].[Li+]"]
["174113530","CC1=[C-]C2C=C=CC=C2N1.[W]"]
["73963105","CNC1[CH]C=C=CN1"]
["193510885","CB1OCC2C=C=C[C-]=C12.[Y]"]
["63254795","O=CC1CC2C=C=C[C-]=C2O1.[Y]"]
["178266683","C[NH+]1C=[C-]N(C2C[I+]2)C1[NH-]"]
["185397380","CC(C)(C)C1=[Se+]C(C(C)(C)C)C=C=C1"]
["59569328","C[Si+]1N[Si+](C)N[Si-](C)N[Si-](C)N1"]
["56997107","CC1C[Si-]N[Si+](C)N1"]
["161799977","C[Si+]1CCC[Si-](C)C1"]
["161837731","C[Si+]1CC[Si-](C)CC1"]
["42526324","C[Si+]1CC(C)(C)[Si]1=[Si-]"]
["161833244","C[Si+]1N[Si-](C)N[Si](c2ccccc2)(c2ccccc2)N1"]
["69881645","C[Si+]1N[Si]2(C)N[Si-](C)N[Si]3(C)N[Si-](C)N[Si]4(C)N[Si]5(C)N[Si+](C)N[Si](C)(N1)N5[Si](C)(N2)N34"]
["43020070","CC1C[Si-](C)N[Si+](C)N1"]
["57002058","C[Si]1C[Si+](C)C[Si-](C)C1"]
["61675447","C=CN1[Si+](C)N[Si-](C)N[Si](C)(C=C)N(C=C)[Si]1(C)C=C"]
["195275059","C[Si-]1CC[Si+](Br)CC1"]
["47967344","C[Si+]1C2C[Si-](C)C21"]
["180452080","N=P(Cl)(Cl)N=PN=PCl"]
["171781157","N=P(N)(N)CCCCCCP(=N)([NH3+])[NH3+]"]
["174344050","NP(=O)(Cl)P=O"]
["192101063","CP(=N)(P)P=NOP"]
["60104775","N=P(N)(N)Cl"]
["175493366","O=POP(=O)(Cl)Cl"]
["50301538","CN=P(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"]
["185956180","CC(C)(Cl)P(=N)(Cl)Cl"]
["173028776","NN=PCl"]
["170003792","CC(C)(C)N=PN=PN=PO"]
["78152210","S=[PH](Cl)PN=PCl"]
["174828224","CC(C)P=N.CC(C)P=NP=N"]
["97459159","C1=C[C+]2[CH+]C=C1C[N-]CCN1CC[N-]Cc3c[cH+][c+]([cH+][cH+]3)C[N-]CCN(CC[N-]C2)CC[N-]C[C+]2[CH+][CH+][C+]([CH+][CH+]2)C[N-]CC1"]
["178698597","C=C/C(=C\\C=C(/C)Cl)C1=C(C)[N-]C2=C(N3CC[I+]CC3)C=C[N-]N21"]
["177162824","[B+]=[O+]C1=CC(=C([O-])N2CCN3CCC2CC3)N(O)C=C1OCc1ccc(OC)cc1"]
["96610308","O=C(O)[C@@H]1Cc2ccc(cc2)CCCCCC[N-][C@@H](C(=O)O)Cc2c[cH+][c+]([cH+][cH+]2)CCCCCC[N-]1"]
["176633823","CC.Cc1ccn2c1C[N-]CC2.[K+]"]
["97652737","C1=C[N]CCN2CC[N-]C=CC=[NH+]CCN(CCN=C1)CC[NH+]=C[CH+]C=[NH+]CC2"]
["100945427","c1cc(-[c+]2[cH+]cc(C3=NCC[N-]3)[cH+][cH+]2)ccc1C1=NCC[N-]1"]
["97616759","C1=C[C+]2[CH+]C=C1C[N-]Cc1ccc(cc1)COCCCCCCCCCCCCCCCCCOCC2"]
["97359076","C1=C[C+]2[CH+]C=C1COCCCC/C=C\\CCCCOCc1ccc(cc1)C[N-]C2"]
["185220952","COc1cc(N(C)CC[N+]23CCN(CC2)CC3)ccc1N"]
["160551377","OC(=NC1C2CCOC2C12CCCC2)N1CCC[C@H]1Cn1cc(C2CC2)nn1"]
["97261276","C1=C[c+]2[cH+][cH+][c+]3c4c2=[N+]=C1C[N-]CCC[N-]CCNCC[N-]CCC[N-]CC(=[N+]=4)[CH+][CH+]3"]
["79910609","Ic1c(I)c(I)c2c(c1I)Sc1c(I)c(I)c(I)c(I)c1N2I"]
["182481640","Ic1ccc2c(c1I)S2"]
["185039866","In1ncc2sccc21"]
["177489070","O=C1N(I)C(=O)C(F)(F)C1(F)F"]
["75766606","IN1c2ccccc2Sc2ccccc21"]
["80390979","CC(O)C(C(=O)O)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O"]
["170959531","Cc1c(Sc2sc(I)c(I)c2C)sc(I)c1I"]
["180528658","CC1=C(I)C(=[I+])C(=[I+])C(I)=C1N1C=CC(=C2C=CN(c3c(I)c(I)c(I)c(I)c3I)C=C2)C=C1"]
["MCULE-7170558619","CCc1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1I"]
["75239317","Cc1c(I)n(I)c(=O)n(I)c1=O"]
["187323560","O=C1CN(I)C(=S)S1"]
["179370653","CC(C)CI12=CC=CC=C1N(I)c1c2ccnc1I"]
["96902713","CCN(CC)B(B(N(CC)CC)p1p2p3p4p1p4p2B(N(CC)CC)B3N(CC)CC)p1p2p3p4p1p4p2B(N(CC)CC)B3N(CC)CC"]
["137834944","CCC(CC)C(CNS(=O)(=O)N(CC)CC)N(C)C"]
["96692295","CCN(CC)B1[CH]C=CC=C1"]
["190972783","CCN(C)S(C)(=O)=O.CN(S(=O)[O-])S(=O)[O-]"]
["83523601","CCN(C=CCC(C)Cl)CC.Cl"]
["56688332","CCN(CC)P(N(CC)CC)[N+](C)(CC)CC"]
["98712940","CCN(CC)c1[c]c(C)ccc1"]
["10565011","CCCC(C)(C)NS(=O)(=O)N(CC)CC"]
["185133140","CCCCC(O)(CCC)CN(CC)CC"]
["174315392","CCN([CH-]N(CC)CC)CC.[Cu+]"]
["3031451","CC[C@@H](CO)NC(O)=NCCCN(CC)S(C)(=O)=O"]
["79469427","CCN(C(C)=O)[SiH](C)C"]
["195456493","Cl[Si](Cl)(Cl)C[Si](Cl)(Cl)C[Si](Cl)(Cl)[SiH]1[SiH2][SiH2]C[SiH2][SiH2][SiH2]1"]
["181266502","Cl[Si](Cl)(Cl)[SiH]1C[SiH2]C1"]
["84159184","C=CC[Si](Cl)(Cl)C[Si](Cl)(Cl)Cl"]
["192946773","C1[SiH2][SiH2][SiH2][SiH2]1.CC1C[SiH](C)[SiH2][SiH2]1"]
["185239261","CCC[Si](Cl)(Cl)C[Si](Cl)(Cl)Cl"]
["78373929","C1[SiH2][SiH2][SiH2][SiH2]1"]
["26787515","C[Si](C)(Cl)C[Si](Cl)(Cl)C[Si](C)(C)Cl"]
["190258851","Cl[Si](Cl)(Cl)[Si](Cl)(Cl)C[Si](Cl)(Cl)[Si]1(Cl)[SiH2]CC[Si]1(Cl)Cl"]
["171714999","CCCC[Si](C)(C[Si](Cl)(Cl)Cl)C1=CCC=C1"]
["175410344","[2H]C1CC(F)(F)c2nc(SC)nc(Cl)c21"]
["23607855","C[Si](Cl)(Cl)C[Si](Cl)(Cl)C[Si](C)(Cl)Cl"]
["191417017","Cl[Si](Cl)(Cl)C[Si](Cl)(Cl)C[Si](Cl)(Cl)[SiH]1[SiH2][SiH2][SiH2]C[SiH2][Si]1(Cl)Cl"]
["96579103","CN1[C@H]2C3C4C5C3[C@H]3[C@H]2[C@H]([C@@H]4N1C(C)(C)C)[C@H]5[N+](C)N3C(C)(C)C"]
["182733082","[2H]C([2H])([2H])C(C)(C(=O)O)C(=O)O"]
["100853908","CC(C)(C)N1[C@@H]2CC[C@@H]([C@@H]3[C@H]2[C@@H]2CC[C@H]3N(C(F)(F)F)[NH+]2C(C)(C)C)N1C(F)(F)F"]
["199846863","[2H]C([2H])([2H])N1CCN(C(C)(C)C)C(C)C1C"]
["149581693","CCOCC1CC(C)CC(C)N1CC(F)(F)F"]
["22364134","C[C@H]1CN(CC(C)(C)O)CC(C)(C)O1"]
["59823192","CN1C(C#CC(C)(C)O)N1C"]
["172515414","[2H]C1([2H])C(C(C)(C)C)C([2H])([2H])C([2H])([2H])N(C(C)(C)C)C1([2H])[2H]"]
["160688990","Cc1c(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)cnn1C"]
["106866200","CC[C@H]1C[C@@H](C)CN1CCC(O)=NC(C)(C)C"]
["187058925","CC(C)(C)c1ccccc1-[n+]1cc2cccc(F)n2c1"]
["83488243","CC(C)(C)n1nc(C(F)F)c2c1C(F)(F)C1CC21"]
["101691415","SP1SS[P+](S)(SS[P+]2(S)SSP(S)SS2)SS1"]
["44372590","S1SC1SSC1SS1"]
["185640160","SP1SSCCCCCCSS1"]
["150098346","CN1SC1S"]
["169904779","SC1S[N+]2(SC1S)SC(S)C(S)S2"]
["171780575","CS[P+]12SS[P+](SC)(S1)S2"]
["74217701","CC1SSCC(S)C1S"]
["198369739","NSC1C=CC(S)CC1"]
["195673126","CCC1CCSP(S)S1"]
["183264462","CCCCCC1SP(S)S1"]
["175047165","SCSC1SC(S)C(S)S1"]
["47328140","S[P+]1(S)CSC1"]
["50839366","[O-]C1=C2C=C3CCCC4=CC(=C[C+]4CCCC3=C2)CC1"]
["163709696","O=C/C=C1/C=C(C2=CCCCC2)CCC1"]
["48050110","N#[N+]/C1=C(\\[O-])CCCCCCCCCC1"]
["172415323","CC(c1ccc(N)cc1)c1n[nH]c2c1CCC2"]
["79714984","C1=C[C]2C=C3CCCCCCCCCCCCCC3=CC2=C1"]
["168462123","CC1(C)C(=C2C=C[C+]3CCCC3=C2)C2CCCC2C1=C1C=CC=CC1"]
["167436814","CC1=CC2=COC=C1CCCCCC2"]
["64608247","O=C1C=C(c2cccc3cnccc23)CCC1"]
["167430039","[N-]=[N+]=C1C=C2CCCCCC2=CC1=O"]
["184917046","N=C([O-])N=C1C2=C(C=C3CCC[C+]31)CCC2.[Os]"]
["99639297","O=NC1=C2NC3=C(C=C2CCC1)CCC/C3=N\\O"]
["185260711","C=C1C=C(C2=CCCCC2)CCC1"]
["81564728","[CH-]1C2CCC[NH+]1N1C3CCCC(C3)N3C4CCCC(C4)N2C2CCCC(C2)N(C2CCCC3N2)C2CCCC1N2"]
["52637298","OC(=NC1CC2CCCC(C1)N2C1CC1)c1ccccc1"]
["2955385","SC(N[C@H]1C[C@H]2CCC[C@@H](C1)N2C1CC1)=[NH+]c1ccccc1"]
["96249697","CCCNC1CC2CCCC(C1)N2C1CCCCCC1O"]
["42601028","CNC1CC2CCCC(C1)N2C1CCCC1"]
["112766598","CSC1CCCC(n2c(=N)[nH]c3cc(Cl)ccc32)C1"]
["54796795","Nc1ccccc1NC1C[C@H]2CCC[C@@H](C1)N2C1CCCCCCC1"]
["187767163","CC#CCOC(=O)N1C2CCCC1CC(N1CCC3(CC1)CNC(O)C3)C2"]
["184556264","[3H]C1CC2CCCC(C1)N2OC"]
["57265587","CN=C(O)CCCNC1CC2CCCC(C1)N2C"]
["MCULE-3032699560","CN1[C@@H]2CCC[C@H]1C[C@@H](N=C(O)c1nn(C)c3c(O)cccc13)C2.Cl"]
["66368431","Cc1ccc([NH2+]C(S)=NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)cc1C"]
["99489846","[As-]=c1c(=[As-])c(=[As-])c2c(c1=[As-])=CC1=C[CH+][CH+][CH+]C1=[N+]=2"]
["99363077","COC1=C(Br)CC2=NN=CC2=C1"]
["96830611","[N-]CCC[N-]CCCC[N-]CCCCCCCCN=C1C2=C[CH+][CH+][CH+]C2=[N+]=C2[CH+][CH+][CH+]C=C12"]
["97820116","CC1=CC(C[N-])=C[CH+][CH+]1"]
["99507285","CC1=CC(=[As-])N=C[CH+]1"]
["96608543","CN1CCC[N-]CC2=CC3=Cc4ccc5c(c4=[N+]=C3[CH+][CH+]2)=[N+]=C2[CH+][CH+]C(=CC2=C5)C[N-]CCCN(C)CCC[N-]Cc2ccc3c(c2)=Cc2ccc4c(c2=[N+]=3)=[N+]=C2[CH+][CH+]C(=CC2=C4)C[N-]CCC1"]
["100858860","O[C@@H]1[C@H](O)C=c2c(ccc3c2=[N+]=CC=C3)[C@H]1O"]
["172919262","CC(C)c1ncc2c(c1C(C)C)CC2"]
["184898961","CC1=CC(C)=NC(=[As-])[CH+]1"]
["97112221","CN(C)CCC[N-]CC1=CC2=Cc3ccc4c(c3=[N+]=C2[CH+][CH+]1)=[N+]=C1[CH+][CH+]C(C[N-]CCCN(C)C)=CC1=C4"]
["97568454","C1=C2[CH+][CH+]C3=[N+]=c4c(ccc5c4=[N+]=C4[CH+][CH+]C(=CC4=C5)C[N-]CCNCC[N-]Cc4ccc5c(c4)=Cc4ccc6c(c4=[N+]=5)=[N+]=c4ccc(cc4=C6)C[N-]CCNCC[N-]C2)C=C13"]
["42257677","O=C1C=C2C=NN=C2CC1"]
["168514274","Brc1c(Br)c2ccc1=[Si-]13CC[Si+]CC[Si+][O+]=[Si-]CC[Si-]CC[Si-]=2(CC[Si+]CC[Si+]=[O+][Si]CC[Si-]CC1)CC[Si-]CC[Si+]=[O+][Si-]CC[Si-]CC3"]
["168454739","O=S1([O-])=C2C=CC1=[Si-]13CC[Si+]CC[Si+]=[O+][Si]CC[Si-]CC[Si]2(CC[Si+]CC[Si+][O+]=[Si-]CC[Si-]CC1)CC[Si-]CC[Si-][O+]=[Si+]CC[Si-]CC3"]
["198471848","CC(C)(C)c1cccc2c1=[Si+]CC[Si-]=2"]
["148096194","COCC1(CNS(=O)(=O)c2cccc(Br)c2F)CCCN1.Cl"]
["155977286","COC(=O)[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12"]
["155977284","COC(=O)[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12"]
["148096929","COCC1(CNS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CCCN1"]
["168514271","Clc1c(Cl)c2ccc1=[Si-]13CC[Si+]CC[Si+][O+]=[Si-]CC[Si-]CC[Si-]=2(CC[Si+]CC[Si+]=[O+][Si]CC[Si-]CC1)CC[Si-]CC[Si+]=[O+][Si-]CC[Si-]CC3"]
["74676422","O=C1C2=C(SC(Br)C2)C2SC(Br)=CC12"]
["168454737","c1cc2sc1=[Si-]13CC[Si+]CC[Si+][O+]=[Si-]CC[Si-]CC[Si-]=2(CC[Si+]CC[Si+]=[O+][Si]CC[Si-]CC1)CC[Si-]CC[Si+]=[O+][Si-]CC[Si-]CC3"]
["148096506","COCC1(CNS(=O)(=O)c2cccc(C)c2Br)CCCN1.Cl"]
["148096507","COCC1(CNS(=O)(=O)c2cccc(C)c2Br)CCCN1"]
["63021281","O=[C-]C[s+]1cccc1"]
["61892370","O=[C-]C[C-]=O.[Y]"]
["176025302","CCc1ccccc1[C-]=O.[K+]"]
["47955513","O=[C-]c1ccccc1.[CH2-]CC1(C[CH2-])CO1.[Y+3]"]
["174585885","O=C(CNCO)OP(O)O"]
["184230058","CCNC(C)(C)[C-]=O.[U]"]
["178363711","O=[C-]Cc1ccccc1.[CH2].[Os]"]
["161672159","O=[C-]CS(=O)(=O)O.[Zn]"]
["167240182","C[Si](C)(C)C[C-]=O.[Li+]"]
["184765457","O=[C-]C1=C=CC(CCl)O1.[Na+].[OH-]"]
["178536370","CC.CC1(C[C-]=O)[N-][CH-]c2ccccc21.[U+3]"]
["171069805","O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc(F)c1"]
["168625409","P[B]PB=P1=BP[B]P[B]1"]
["161678651","C[Si](C)(C)P1=BP[B]PB=1"]
["168438006","[B]1P[B]P[B]P1"]
["68232314","P[B]PP.[Tb]"]
["172096428","P[B]PCl"]
["48914051","P[B]PP"]
["65273294","P[B]P[B]PS"]
["101031886","S=[PH-]1([S-])[S+]=[S+][PH]([S-])([S-])[S+]=[S+]1.[H+].[H+]"]
["171814679","NNC1NC([O-])NC(NN)N1.[Na+]"]
["101031884","S=[PH-]1([S-])[S+]=[N+](c2ccccc2)[PH]([S-])([S-])[S+]=[N+]1c1ccccc1.[H+].[H+]"]
["100854354","S=[PH-]1([S-])S[PH]([S-])([S-])c2c[cH+][cH+]c3[cH+][cH+]cc1c2=3"]
["49811040","[C]12C3=c4c5c6c7c8c(c9c%10c1c1c%11c%12c%13c%14c%15c%16c%17c%18c%19c(c4c4c%19c%19c%17c%17c%20c%16c%16c%14c%14c%13c1c%10c1c%10c9c8c8c9c7c(c64)c%19c%17c9c4c%20c%16c(c%141)c%10c84)C(=C%12C%18%15)C3%11)C25"]
["34270788","COC(=O)C1(C(=O)OC)CC2=C(C1)C1C3=C4c5c6c7c1c1c8c3c3c9c(c%10c5c5c%11c6c6c7c7c1c1c%12c8c8c3c3c9c9c%10c%10c5c5c%11c%11c6c6c7c1c1c7c%12c8c8c3c3c9c%10c9c5c5c%11c6c1c1c7c8c3c9c51)C24"]
["32462822","COC(=O)Cc1ccc(C2=C[C@@H]3C4=C5c6c7c8c(c9c%10c4c4c%11c3c3c6c6c%12c7c7c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c%14c%14c7c8c7c9c8c%10c9c4c(c%20c9c%22c8c%23c%147)c4c%11c7c3c6c(c%16c%13%12)c%17c7c%194)[C@H]3C(c4ccc(CC(=O)OC)cc4)=C[C@H]%18C%21=C%153)[C@H]25)cc1"]
["97780651","O=c1c2c3c4c5c6c7c8c9c(c(O)c%10c%11c1c1c%12c2c4c2c4c5c5c6c6c%13c7c9c7c%10c9c%10c%11c%11c1c1c%12c2c2c4c4c5c5c6c6c%13c7c9c7c9c%10c%11c%10c1c2c1c4c5c(c67)c9c%101)-c1ccccc1C83"]
["102932804","Sc1c2c3c4c5c6c7c8c9c%10c(cc%11c%10c%10c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c1c1c3c3c5c5c6c6c%21c7c9c%10c%13c%21c7c%14c%16c9c%18c(c3c%191)c5c9c76)=CC1=C%11C%12C%15=C1C%20%17)C=2C84"]
["32790090","c1ccc(C[C@]23C4=C5C6=c7c8c9c%10c%11c%12c%13c%14c%15c(c2c2c%16c3c3c%17c%18c(c7c7c8c8c%10c%10c%19c%11c%14c%11c%14c%15c2c2c%15c%16c%17c%16c%17c%18c7c7c8c%10c8c(c%11%19)c(c%142)c(c%15%16)c8c%177)[C@@]53Cc2ccccc2)C%13C4=C6C%129)cc1"]
["48234908","COC(=O)Cc1ccc(C2=C[C@H]3C4=C5c6c7c8c(c9c%10c4c4c%11c3c3c6c6c%12c7c7c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c%14c%14c7c8c7c9c8c%10c9c4c(c%20c9c%22c8c%23c%147)c4c%11c7c3c6c(c%16c%13%12)c%17c7c%194)[C@H]3C(c4ccc(CC(=O)OC)cc4)=C[C@H]%18C%21=C%153)[C@H]25)cc1"]
["96524355","CC(C)(C)[Si](c1ccccc1)(c1ccccc1)C12c3c4c5c6c7c8c9c%10c(c1c1c%11c2c2c%12c3c5c3c5c6c6c7c7c9c9c%13c%10c1c1c%10c%11c%11c2c2c%12c3c3c5c5c6c6c7c9c7c(c%131)c1c%10c%11c9c2c3c2c9c1c7c6c52)C48"]
["170668484","C12=C3C4=C5C6=C3C3c7c8c9c%10c(c%11c%12c%13c(c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c7c7c%23c%23c(c97)c7c%10c%12c9c%10c%13c%15c%18c%10c%10c%19c%22c%23c%10c97)C3C1=C(C(=C2C%16C4%14)C%17%20)C%24%21)C5%11)C68"]
["101010240","c12c3c4c5c6c7c8c(c9c%10c1c1c%11c3c3c%12c4c4c6c6c7c7c%13c8c9c8c9c%10c1c1c%10c%11c3c3c%11c%12c4c4c6c6c7c7c%13c8c8c9c1c1c%10c3c3c%11c4c6[c+]4c7c8c1c34)C25"]
["96596635","c1ccc2c(c1)C1c3c4c5c6c3c3c7c8c1c1c9c(c%10c%11c5c5c%12c6c6c3c3c7c7c%13c8c1c1c8c9c%10c9c%10c%11c5c5c%11c%12c6c6c3c3c7c7c%13c1c1c8c9c8c%10c5c5c%11c6c3c3c7c1c8c53)C24"]
["149981809","C1=C2Cc3cc4c5ccc6c7ccc8c9cc%10c%11c%12c%13c%14c%15c(c2c3c2c4c3c5c6c4c7c8c5c9c%11c%14c6c(c%152)c3c4c56)C%13C1C=C%12C%10"]
["173635613","[B+]SSSS([S-])=NC"]
["83161450","CN=S=N"]
["26521467","CN=S([O])C(C)(C)C"]
["46699914","[B+]SSSSS"]
["178089126","[CH-]=S(C)C(O)=NC"]
["45559623","CN=S(C(F)(F)F)C(F)(F)F"]
["63783459","CN=CNC=C1C=CC(=O)C=C1"]
["177083809","[CH2-][NH2+]C(O)=NC"]
["161949312","C[N]P[O]"]
["99615903","CN=C(S(C)=S)[N+](C)(C)[S-]"]
["79740786","C[N]C(C)SC(C)=O"]
["45293261","CN=[S](=O)O.[CH3-].[W+2]"]
["57569870","O[Si-]1(O)=[Si]=[Si]=[Si]=[O+]C1"]
["161788602","C1=[Si]CC[Se]1"]
["179009172","[NH2+]=C1C(=O)CN=C1O"]
["174472991","O=C(O)N1C(=O)C2=C(CCCC2)C1=O"]
["55265779","N[Si-]1(N)=[Si]=[O+]CCC1"]
["66972068","CCCCCC[Si-]1(OC(C)=O)=[Si]=[Si]=[Si]=[O+]C1"]
["171423098","C1CC1[Si](O[Si](C1CC1)(C1CC1)C1CC1)(C1CC1)C1CC1"]
["68593912","C/C=C(\\CCCC)C1CO1"]
["61461684","C=CC(O)[Si-]1(C(O)C=C)=[Si]=[O+]CCC1"]
["57599332","CCCC[Si-]1(OC(C)=O)=[Si]=[Si]=[Si]=[O+]C1"]
["68361462","C=CC(N)[Si-]1(C(N)C=C)=[Si]=[Si]=[Si]=[O+]C1"]
["50319819","CCC[Si-]1(C)=[Si]=[O+]CCC1"]
["101303408","C[PH2-]1([C+]2[CH+][CH+][CH+][CH+][CH+]2)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(Cl)[N-]1"]
["101303413","CC(C)(C)[C+]1[CH+][CH+][C+]([PH2-]2(C)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(Cl)[N-]2)[CH+][CH+]1"]
["101303195","Cl[PH2-]1(Cl)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(N=P(C2=C[CH+][CH+]C=C2)(C2=C[CH+][CH+]C=C2)C2=C[CH+][CH+]C=C2)[N-]1"]
["101303425","C[PH2-]1([C+]2[CH+][CH+]C(=[F+])[CH+][CH+]2)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(Cl)[N-]1"]
["101303416","C[C+]1[CH+][CH+][C+]([PH2-]2(C)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(Cl)[N-]2)[CH+][CH+]1"]
["101303427","CC[N+](CC)=C1[CH+][CH+][C+]([PH2-]2(C)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(Cl)[N-]2)[CH+][CH+]1"]
["101304607","[CH2+][CH+][C+]1C=CC(=C2C=CC(=[O+][PH2-]3(Cl)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(Cl)[N-]3)C=C2)[CH+][CH+]1"]
["101303412","C[N+](C)=C1[CH+][CH+][C+]([PH2-]2(C)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(Cl)[N-]2)[CH+][CH+]1"]
["158915917","Cc1c(Cl)cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=O)C3)cc1Cl"]
["101303419","C[O+]=C1[CH+][CH+][C+]([PH2-]2(C)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(Cl)[N-]2)[CH+][CH+]1"]
["101303426","C[PH2-]1([C+]2[CH+][CH+][C+](C(F)(F)F)[CH+][CH+]2)[N-][PH2-](Cl)(Cl)[N-][PH2-](Cl)(Cl)[N-]1"]
["181025220","CC1(C)C(C=C(Cl)Cl)C1(C)C(=O)[O-]"]
["179594608","C1=C\\[N-]N=I/C=C\\I=N/1"]
["180328886","FC1=CN=IC=C1"]
["179482431","C/C1=C/N=IC=CCCC1"]
["179094230","OC1=NC=CI=N1"]
["179610994","C1=C[N-]C=IN=N1"]
["173289078","C1=CI=NI=C1"]
["179594609","C1=C\\NN=I/C=C\\I=N/1"]
["178161706","CC(=O)C1=CN=IC=C1"]
["191141905","O=[N+]([O-])C1=CN=IC=C1"]
["180672286","C1=CI=NC=[NH+]1"]
["184549431","C1=C[N-]CI=N1"]
["179642719","CC(C)(C)C1=CI=NC=C1"]
["196689884","C=PC[P+](=C)C[P+](=C)C"]
["171063454","CCC(Cl)c1ccc(-c2ccc(C(Cl)CC)cc2)cc1"]
["154693652","C=PCC(C)(C)C"]
["174408894","Cl.[C]=C(C)/C=C(/C)[O-].[Cr+]"]
["59273867","C=PC.[W].[Y]"]
["145192614","C=C(C(C)=O)[P+](C)=O"]
["100319428","C=PC1CCCN1CN([P+](=C)C)[P+](=C)C"]
["100217733","C=[P+](C)CN1CCNCC1"]
["175102453","C=C(C)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)C"]
["164265434","C=C(C(=N)O)C(CC)N(C)C.Cl"]
["98592551","C=PCC(=C)C(C)C"]
["176202972","C=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)CC"]
["100224909","O=C1OCCOSSOSSOSSOC(=O)C(=O)OC1=O"]
["121315492","CN(CCNC1CCCOC1)S(=O)(=O)c1cccs1"]
["26969010","O=C1OCCOC(=O)c2ccc1c1c2CC1"]
["138234784","O=C1OCCN1CCc1nc(Cc2ccccc2Br)cs1"]
["133009875","O=C(OCc1nc(-c2ccccc2)cs1)C1CCOc2ccccc21"]
["162436315","CCC(C)(N)C(=O)C1=COCC1"]
["84014505","O=C1CCOCCC(=O)OCCOCCO1"]
["164525032","O=C1OCCC1[N+](=O)O"]
["62070700","COC1=C(C(O)C(C)(C)C)C(=O)OC1"]
["193447222","O=C1OCCO1.[F-]"]
["57971752","O=C1OCC/C1=C\\C1CO1"]
["199098812","O=C1OCCC1C1CCOCC1"]
["173413659","FI=c1[cH-][cH-][cH-]c(=IF)c1=IF"]
["176455091","Oc1ccc(=S=IF)[cH-]c1"]
["110876453","C=C1C2CC3CC1CC(C2)C3[C+](C)C"]
["47436396","[NH3+]c1c(F)c(F)c(F)c(F)c1F"]
["173413621","FI=c1[cH-][cH-]c(=IF)c(=IF)[cH-]1"]
["184401074","FI=C1[C-]=CC1"]
["173413692","F[I][C-]1[CH-]C(=IF)[CH-]C(=IF)[C-]1[I]F"]
["165053579","FI=c1cc(F)cc[cH-]1"]
["97564310","C/C=C/P1(F)=NP(F)(F)=NP(F)(F)=N1"]
["101232175","C=C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3[C+](C)C"]
["161681707","[O-][N+]([O-])=C1C=CC=CC1=IF"]
["173413711","ClI=c1[cH-][cH-]c(=ICl)c(=ICl)[cH-]1"]
["17632674","NN(CC(N)(N)N)CC(N)([NH3+])[NH3+]"]
["88767262","NC1CC=C(Cc2cc(Br)cs2)CC1"]
["150501354","Cl.FC(F)(F)CN(C1CCNCC1)C1CC1"]
["85324561","CCCN(CCC)CC(C)(N)CC"]
["78986608","NC(N)(N)CCCC(N)(N)C(N)(N)N"]
["26799549","NN(CS(=O)(=O)O)CS(=O)(=O)O"]
["23983457","CN(C)C(C)(CN)c1cccs1"]
["103377037","CN(CC(C)(C)C)[C@H](CN)c1cccs1"]
["85372051","CCC(C)(N)CN(C)CCS(C)(=O)=O"]
["171156214","CC(C)CCC(N)(N)N"]
["175741342","O=C1[C-]=C2SC(=O)[C-]=C2S1.[Y].[Y]"]
["180734624","CN(O)C(CO)[C@@](N)(O)I(C)CN"]
["100853879","C1CC[PH+]2CCCCP(C1)CCCC2"]
["56023971","COP1CCCCO1"]
["195371182","CCCCP1CCCC1.[Cl-].[Cl-]"]
["75026640","c1ccc(P2CCCCCP2c2ccccc2)cc1"]
["175090795","O=C(O)P1CCCCCCCC1(C(=O)O)C(=O)O.[H-].[Na+]"]
["82362562","O=[S+](=O)P1CCCC1"]
["97791793","[S]P1CCCC1"]
["97023808","O[P+]12CCCCP(CCC1)CCC2"]
["177150383","CC(C)N(C(C)C)P1CCCCC1"]
["26996984","C1CP2CCC1C2"]
["179709725","Cc1sc(C)c(P2CCCC2)c1P1CCCC1"]
["190743777","C.CP1CCCC1"]
["69491728","[6CH3][6CH2][6CH]([6CH3])[6C@H]([7N]=[6C]([8OH])[6C@H]([6CH]([6CH3])[6CH3])[7N]([6CH3])[6C](=[8O])[6C@H]([6CH2][6CH]([6CH3])[6CH3])[7N]([6CH3])[6C](=[8O])[6C@@H]([7N]=[6C]([8OH])[6C@@H]([6CH2][6CH2][6C](=[7NH])[8OH])[7N]=[6C]([6CH3])[8OH])[6CH]([6CH3])[6CH3])[6C](=[8O])[7N]([6CH3])[6C@H]([6C](=[8O])[7N]([6CH3])[6C@H]([6C](=[8O])[7N]([6CH3])[6C@H]([6C](=[8O])[8OH])[6CH]([6CH3])[6CH2][6CH3])[6CH]([6CH3])[6CH2][6CH3])[6CH]([6CH3])[6CH2][6CH3]"]
["76238667","[6CH3][6CH]([6CH3])[6CH2][6CH]([7N]=[6C]([8OH])[6CH]([7NH2])[6CH2][6c]1[6cH][6cH][6cH][6cH][6cH]1)[6C](=[8O])[7N]1[6CH2][6CH2][6CH2][6CH]1[6C]([8OH])=[7N][6CH]([6CH2][6CH2][6C](=[8O])[8OH])[6C]([8OH])=[7N][6CH]([6CH2][6C](=[7NH])[8OH])[6C]([8OH])=[7N][6CH]([6CH2][6CH2][6C](=[8O])[8OH])[6C](=[8O])[7N]1[6CH2][6CH2][6CH2][6CH]1[6C](=[8O])[7N]1[6CH2][6CH2][6CH2][6CH]1[6C](=[8O])[8OH]"]
["76238669","[6CH3][6C]([8OH])=[7N][6CH]1[6CH]([7N]=[6C]([8OH])[6CH2][6CH]([7N]=[6C]([8OH])[6CH]([6CH2][6CH2][6C](=[8O])[8OH])[7N]=[6C]([8OH])[6CH]2[6CH2][6CH2][6CH2][7N]2[6C](=[8O])[6CH]([6CH2][6CH]([6CH3])[6CH3])[7N]=[6C]([8OH])[6CH]([7NH2])[6CH2][6c]2[6cH][6cH][6cH][6cH][6cH]2)[6C]([8OH])=[7N][6CH]([6CH2][6CH2][6C](=[8O])[8OH])[6C](=[8O])[7N]2[6CH2][6CH2][6CH2][6CH]2[6C](=[8O])[7N]2[6CH2][6CH2][6CH2][6CH]2[6C](=[8O])[8OH])[8O][6CH]([6CH2][8OH])[6CH]([8OH])[6CH]1[8OH]"]
["76238679","[6CH2]=[6CH][6CH2][7N]=[6C]([8OH])[6CH]1[6CH2][6CH2][6CH2][7N]1[6C](=[8O])[6CH]([6CH2][6CH2][6C](=[8O])[8O][6C]([6CH3])([6CH3])[6CH3])[7N]=[6C]([8OH])[6CH]([7N]=[6C]([8OH])[6CH]([6CH2][6CH2][6C](=[8O])[8O][6C]([6CH3])([6CH3])[6CH3])[7N]=[6C]([8OH])[6CH]1[6CH2][6CH2][6CH2][7N]1[6C](=[8O])[6CH]([6CH2][6CH]([6CH3])[6CH3])[7N]=[6C]([8OH])[6CH]([6CH2][6c]1[6cH][6cH][6cH][6cH][6cH]1)[7N]=[6C]([6CH3])[8OH])[6CH]([6CH3])[8O][6C]([6CH3])([6CH3])[6CH3]"]
["76238681","[6CH2]=[6CH][6CH2][7N]=[6C]([8OH])[6CH]1[6CH2][6CH2][6CH2][7N]1[6C](=[8O])[6CH]([6CH2][6CH2][6C](=[8O])[8OH])[7N]=[6C]([8OH])[6CH]([7N]=[6C]([8OH])[6CH]([6CH2][6CH2][6C](=[8O])[8OH])[7N]=[6C]([8OH])[6CH]1[6CH2][6CH2][6CH2][7N]1[6C](=[8O])[6CH]([6CH2][6CH]([6CH3])[6CH3])[7N]=[6C]([8OH])[6CH]([6CH2][6c]1[6cH][6cH][6cH][6cH][6cH]1)[7N]=[6C]([6CH3])[8OH])[6CH]([6CH3])[8OH]"]
["69491988","[6CH3][6CH2][6CH]([6CH3])[6C@H]([7N]=[6C]([8OH])[6C@H]([6CH2][6CH]([6CH3])[6CH3])[7N]([6CH3])[6C](=[8O])[6C@@H]([7N]=[6C]([8OH])[6C@@H]([6CH2][6CH2][6C](=[7NH])[8OH])[7N]=[6C]([6CH3])[8OH])[6CH]([6CH3])[6CH2][6CH3])[6C](=[8O])[7N]([6CH3])[6C@H]([6C](=[8O])[7N]([6CH3])[6C@H]([6C](=[8O])[7N]([6CH3])[6C@H]([6C](=[8O])[7N]([6CH3])[6C@H]([6C](=[8O])[8OH])[6CH]([6CH3])[6CH2][6CH3])[6CH]([6CH3])[6CH2][6CH3])[6CH]([6CH3])[6CH2][6CH3])[6CH]([6CH3])[6CH3]"]
["76238684","[6CH3][6CH]([6CH3])[6CH2][6CH]([7N]=[6C]([8OH])[6CH]([6CH3])[7N]=[6C]([8OH])[6CH]([6CH3])[7N]=[6C]([8OH])[6CH]([6CH2][6CH]([6CH3])[6CH3])[7NH][16S](=[8O])(=[8O])[6c]1[6cH][6cH][6cH][6c]2[6c]([7N]([6CH3])[6CH3])[6cH][6cH][6cH][6c]12)[6C]([8OH])=[7N][6CH]([6CH2][6c]1[6cH][7n]([6C](=[8O])[8O][6C]([6CH3])([6CH3])[6CH3])[6c]2[6cH][6cH][6cH][6cH][6c]12)[6C](=[8O])[8OH]"]
["76239056","[6CH3][6CH2][6C@H]([6CH3])[6C@H]([8OH])[6C](=[8O])[8O][6C@H]([6CH3])[6C@H]([7N]=[6C]([8OH])[6c]1[6cH][6cH][6cH][6c]([7N]=[6CH][8OH])[6c]1[8OH])[6C](=[8O])[8O][6C@H]([6C](=[8O])[8O][6C@@H]1[6C@H]([6CH2][6c]2[6cH][6cH][6cH][6cH][6cH]2)[8O][6C](=[8O])[6C]1([6CH3])[6CH3])[6CH]([6CH3])[6CH3]"]
["76238668","[6CH3][6C]([8OH])=[7N][6CH]([6CH2][6c]1[6cH][6cH][6c]([8OH])[6cH][6cH]1)[6C]([8OH])=[7N][6CH]([6CH2][8OH])[6C]([8OH])=[7N][6CH]([6CH2][6c]1[6cH][6cH][6c]([8OH])[6cH][6cH]1)[6C]([8OH])=[7N][6CH]([6CH2][6c]1[6cH][6cH][6cH][6cH][6cH]1)[6C](=[8O])[7N]1[6CH2][6CH2][6CH2][6CH]1[6C]([8OH])=[7N][6CH]([6CH2][8OH])[6C]([8OH])=[7N][6CH]([6C](=[8O])[8O][6CH2][6CH2][8O][6CH2][6CH2][8O][6CH2][6CH2][6C](=[8O])[8OH])[6CH]([6CH3])[6CH3]"]
["76238677","[6CH3][6CH2][6CH]([6CH3])[6CH]([7N]=[6C]([8OH])[6CH2][7N]=[6C]([8OH])[6CH]([6CH2][6C]([8OH])=[7N][6C]([6c]1[6cH][6cH][6cH][6cH][6cH]1)([6c]1[6cH][6cH][6cH][6cH][6cH]1)[6c]1[6cH][6cH][6cH][6cH][6cH]1)[7N]=[6C]([8OH])[6CH]([6CH3])[7N]=[6C]([8OH])[6CH]([6CH2][6C](=[8O])[8O][6C]([6CH3])([6CH3])[6CH3])[7N]=[6C]([8OH])[6CH]([6CH2][6CH]([6CH3])[6CH3])[7N]=[6C]([8OH])[6CH]([6CH3])[7N]=[6C]([8OH])[6CH]([6CH3])[7N]=[6C]([8OH])[6CH]([7N]=[6C]([6CH3])[8OH])[6CH]([6CH3])[6CH3])[6C]([8OH])=[7N][6CH]([6C]([8OH])=[7N][6CH]([6C](=[8O])[8OH])[6CH]([6CH3])[6CH3])[6CH]([6CH3])[6CH2][6CH3]"]
["91223712","O=S(=O)([O-])SSSS(=O)([O-])=[Te]"]
["44066585","CN(C)S(=O)(=O)[O-]"]
["175247377","C=C(C)C.O=S(=O)([O-])[O-].[Ba+2]"]
["47119271","O=S(=O)([O-])C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]"]
["100569683","CS(=O)(=O)[O-].O.[Na+]"]
["65246240","O=S(=O)([O-])C[Si](O)(O)O"]
["78611985","[CH2]C(S)C(C)S(=O)(=O)[O-].[Na+]"]
["42538879","COS(=O)(=O)[O-].[OH-]"]
["24286350","Cc1cc(C)[n+](C)n1C.O=S(=O)([O-])O"]
["182348383","O=S(=O)([O-])C(F)C(F)(F)S(=O)(=O)[O-]"]
["47749006","FC(F)F.O=S(=O)([O-])[O-].[Ag+]"]
["67644207","NOS(=O)(=O)[O-]"]
["161793992","O=[P+]=C=[N+](C#[P+][O-])[C-]=P[O-]"]
["172557661","O=C(O)[C@H](F)C[C@H](C#[P+][O-])C(=O)O"]
["172628001","O=C(O)CNC(P)C#[P+][O-]"]
["161717056","N[C@@H](C#[P+][O-])C(=O)O"]
["78616196","NC(C#[P+][O-])C(=O)O"]
["172371555","O=[P+]=C=[N+]([C-]=P[O-])CCO"]
["172441332","O=[P+]=C=[N+]([C-]=PO)[C@@H](CS)C(=O)[O-]"]
["172441309","N=C(CCCCC(N)C(=O)O)[N+](=C=[P+]=O)[C-]=P[O-]"]
["172281570","N=c1[nH]c(C(=O)[O+]=C=P[O-])c(Br)s1"]
["179845815","C=[C-][N+](C)=C=O.[Al].[H]"]
["172527711","C=CC#[P+][O-]"]
["172981100","CC(C(C#[P+][O-])CP(=O)(O)O)P(=O)(O)O"]
["100290840","CC=C(C)CC(CC(C)=C(C)C)(C(/C=C/CCCC)/C(CC=CCCC)=C(\\C=C\\CCCCC)CCC=CCC)C(C=CC(C)C)(CC=CCC)C(C)C=CCCC"]
["82226766","CCCCC/C=C\\C/C=C\\CCCCCCCCOc1cc(COC(=O)CCCN(C)C)cc(OCCCCCCCC/C=C\\C/C=C\\CCCCC)c1"]
["196115692","CCCCCCCCCCCCCCCCCCC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)CC"]
["196148817","CCCCCC/C=C/C(O)C(COP(=O)(O)OCC[N+](C)(C)C)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC"]
["196191598","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCCCCC(O)=NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)/C=C/CCCC"]
["196030980","CC/C=C/CC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)CCCCCCC/C=C\\CCC"]
["90627491","CCCCC=CC(CO)[Si](C)(C)c1ccccc1"]
["153686","CCCCCCCC/C=C/C(=O)CCCCCCC(=O)OCC"]
["196163805","CCCCCCCCCC/C=C\\CCCCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)/C=C/CC/C=C/CCCCCCCCCCC"]
["196972968","CCCCCC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC"]
["79605563","CCC/C=C/CCCCC(C)CC[O]"]
["196099964","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCC(O)=NC(CO)C(O)/C=C/CCCCCCC"]
["170073908","C(=C1CC2CC[C]1C2)C1=C2CCC(C1)C2"]
["44339742","COC1(OC)CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC3(CC3)[C@@]2(O)/C=C\\CO)C1"]
["51222327","O=C1CCCCC1=CC1CC=CCC1"]
["174547835","C=CCNCCC1=C(/C=C2/CCC(C)CC2=C)CCC(C)C1"]
["183822610","CC=C1CC2CCC1([SiH2]O[SiH3])C2"]
["163184976","NC1CCc2c(I)ccc(Br)c2C1"]
["101716146","S=C(Oc1ccc(Cl)cc1)C1CCC(c2ccccc2)=C(c2ccccc2)C1"]
["174599560","CC1=C2CC[C@]3(C)CCC4OCC4C3CC(CC1)C2"]
["180790670","C1CC2CCC3CC1=C3C2"]
["168766851","C=C/C=C1/CCC(C(C)(C)C)C/C1=C/C=C"]
["34191329","CC1=CCC(C)(C)C(O)CC1"]
["78348713","C1=C2CCCCCCC(C3CCCCCCCCC4C[C]3C4)C(=C1)CC2"]
["183007641","[B+]=[O+]CC[N-]N=[N-]"]
["181697770","[N-]=N[N-]C1=C=[O+]C=C1"]
["180970414","CCCCCCCCCC[Cl+]CCCCC[N-]N=[N-]"]
["42739658","C=C(C)C[Si](CCC[N-]N=[N-])([O+]=[Si+])[O+]=[Si-]"]
["171131871","[B+]=[O+][C-](O)C(C)C"]
["167252288","[CH+]=C[N-]N=[N-].[I-].[Zn+2]"]
["25591710","[N-]=NC(N)=[NH2+]"]
["182358407","[N-]=N[N-]C1=C=NC1=O"]
["178517785","C[CH+]CCC(=O)C[N-]N=[N-].[W].[Y]"]
["182510906","[Li+].[N-]=N[N-]OCC=[Cl+]"]
["194361428","[CH2+]CCCC[N-]N=[N-].[Y]"]
["91054720","[B+]=CN=[N-]"]
["173913435","[B]=[B-]1O[B+]O[B-](=[B+])O1"]
["177048932","[B]=[B-]1OC(C)(C)C(C)(C)O1.[H-].[K+]"]
["99743373","[B+]=[B-]1OCC(C)(C)CO1"]
["173759705","OB=[B-]1O[B+]OB2O[B+]O[B-](=BO)N21"]
["176453833","[B+]=[B-]1OC(=C)C(=C)O1"]
["173913453","[B]=[B-]1O[B]O[B+]O1"]
["150062201","[B+]=[B-]1OC(C)C(C)(C)O1"]
["176005410","[B+]1O[B+]O[B-](=[B-]2O[B+]O[B-](=[B-]3O[B+]OB(B4O[B+]O[B-](=[B-]5O[B+]O[B-](=[B-]6O[B+]O[B+]O6)O5)O4)O3)O2)O1"]
["177048933","[B]=[B-]1OC(C)(C)C(C)(C)O1"]
["149899340","[B+]=[B-]1OCC(C)(C)O1"]
["173940667","[B+]=[B-]1OCC2(CO1)CO[B-](=[B+])OC2"]
["99816684","[B]=[B-]1[B+]C(C)(C)C(C)(C)O1"]
["175286110","NOC1=CC2=NC1=Cc1cc(ON)c([nH]1)C=c1cc(ON)c([nH]1)=CC1=CC(=O)C(=C2)N1"]
["122966660","CCOCCC1(C(O)=NC2CCN(c3cc(C)nn3C)C2=O)CCCC1"]
["99830384","O=C1C=CC=C/C1=N\\C1=C2NNC=C2N=C(c2ccc3c[nH]nc3c2)N1"]
["145185408","CCC1CCC(C2=NC(=O)C3(CCN(OCCc4ccc(N=C(C)O)c(Cl)c4C)CC3)N2)CC1"]
["149792275","CC1(C)OC2C=CC(c3cc4[nH]c3C=c3[nH]c(cc3C3C=CC5OC(C)(C)OC53)=Cc3[nH]c(c5c3C3CC5C5OC(C)(C)OC35)C=c3[nH]c(c5c3C3CC5C5OC(C)(C)OC35)=C4)C2O1"]
["68283270","O=C(O)CCC(C(=O)O)N1CC23C=CC(O2)C(C(=O)O)C3C1=O"]
["43608410","CCCOC1=CC=CC(=O)/C1=C1\\C=C(C2CCCNC2)C2=C(N=C(O)CC2)N1"]
["73592253","CCC[C@H](F)CN=C(O)c1cc(OC)c(OCOc2cc(N)c(C(=O)N3C[C@@H](F)C[C@H]3C)cc2OC)cc1N"]
["48485432","O=C1C=CC(CC2=C/C(=C3/C=C(c4ccco4)NC(N4C(=O)CSC45CCCCC5)=N3)C(=O)C=C2)=C/C1=C1\\C=C(c2ccco2)NC(N2C(=O)CSC23CCCCC3)=N1"]
["139401210","CCC1(C(O)=NC2CCCN(c3cc(C)nn3C)C2=O)CCC1"]
["182317509","Cc1c(Br)c2[nH]c1=Cc1ccc([nH]1)C=C1C=CC(=N1)C=C1NC(=CC1=O)C=2"]
["170434583","C=N/C=N\\C1=C(C)C(=O)C(Nc2cc(OC)c(OC)c(OC)c2)=CC1=O"]
["75718162","[CH2+]C1[CH+][NH+]([CH2-])[CH-]C1[CH2-]"]
["54819785","[CH2+]C1COC([CH2-])CO1.[Hg].[Hg]"]
["75962874","[CH2+]C1[N-]C([CH2-])C=[S+]1"]
["172120279","[CH2-]C1C[CH-]C(C(C)(C)C)CC1.[W+2]"]
["100190644","[CH2]C1C([CH2+])C([CH2+])C([CH2-])C1[CH2-]"]
["53423717","[CH2-][NH+]1CCCC1(C)C"]
["196827319","[CH2+]C1CNCCC1[CH2-].[In]"]
["26299860","[CH2+][C@H]1CC[C@H]([CH2-])CC1"]
["73626898","[CH2+]C1[N-]C([CH2+])C([CH2-])S1"]
["195970706","[CH2-]C1CC12C[CH-]C2.[U+2]"]
["75096155","[CH2+][NH+]1[CH-]C([CH2-])CN=C1O"]
["75096828","[CH2+][NH+]1[CH-]C([CH2-])COC1=O"]
["67696538","ClOOSC#CC#CC#CBr"]
["49426762","CN(C#CSOO[O-])C#CSOO[O-].[Na+].[Na+]"]
["78969013","O=[C]OC#CBr"]
["34402135","C[Si](C)(C)C#CC#CBr"]
["175302151","N#CSOP(=O)(F)OSC#N"]
["192823586","C#CC#CC#CBr.Cc1cccc(Br)c1"]
["26917052","CC#CC#CC#CSOOCl"]
["57581806","[15N]#CC#CSOOO"]
["191508195","C#CC#CC#CC#CSOOOC(c1ccccc1)(c1ccccc1)c1ccc(CC(Cc2ccc(C(OOOSC#CC#CC#CC#C)(c3ccccc3)c3ccccc3)cc2)Cc2ccc(C(OOOSC#CC#CC#CC#C)(c3ccccc3)c3ccccc3)cc2)cc1"]
["183900503","BrC#Cc1cn[nH]c1"]
["185676281","ClC(Cl)=[C]Br.ClC(Cl)=[C]Br.[Hg]"]
["190736053","BrC#CC#CC#CBr.CC(C)(C)c1cc(Br)cc(Br)c1"]
["97588459","C(=C1C=C[CH-]C=C1)=C1C=C([C+]=C2[CH-]C(=C=C3C=C([C+]=C4[C+]=CCC=C4)[CH+]C(=C=C4[C+]=CC=[C+]C4)C3)C=CC2)[CH-]C([C-]=C2[C-]=CCC=[C-]2)=C1"]
["110861711","C(=C1C=CCC(C=C2C=CCC=C2)=C1)=C1C=CCC(C=C2C=CCC(=[C+]C3=CC(=[C+]c4ccccc4)C=CC3)C2)=C1"]
["69833160","Cl.[Ir+].[S-]C(C=C=C1C=C[CH-]C=C1)=CC=C1C=CC=[C+]C1"]
["101069708","C(=C1[C+]=CCC=C1)=C1C=C([C-]=C2[C-]=CC=[C+]C2)CC(=C=C2C=C[CH-]C=C2)[CH+]1"]
["79366345","[C-]#CC1=C=C([SiH]=C2[C+]=CCC=C2)CC=C1"]
["110861712","C(=C1C=CC=C([C+]=C2C=CCC(C=C3C=CCC=C3)=C2)[CH+]1)=C1C=CCC(=[C+]c2ccccc2)C1"]
["110904357","C(=C1C=CCC([C+]=C2[CH+]C(=C=C3C=CCC=C3)CC(=[C+]c3ccccc3)C2)=C1)=C1[CH+]C(=C=C2C=CCC=C2)CC(=C=C2C=CCC=C2)[CH+]1"]
["168487962","C(=C1C=CCC=C1)=C1[CH+]C(=C=C2C=CCC=C2)CC(=[C+]c2ccccc2)[CH+]1"]
["174657894","Cc1c(C)c(=[Si-])c(C)cc1=[Si]=C1[C+]=CCC=C1"]
["110861710","C(=C1C=CCC=C1)=C1C=CCC(C=C2C=CCC(=[C+]c3ccccc3)C2)=C1"]
["101094035","C1=CCC=[C+]C=1[C+]=C1C=C([C-]=C2C=C[CH-]C([C+]=C3C=C[CH-]C=C3)=C2)C=CC1"]
["171167333","CC(C)/C(=C\\[C-]1C=CC(=[Si]=C2[C+]=CCC=C2)C=C1)B1N(C)CCN1C"]
["167428241","Clc1c(Cl)c(Cl)c2c(c1Cl)C1=Nc3c4c(Cl)c(Cl)c(Cl)c(Cl)c4c4n3[B-]3(Br)n5c(c6c(Cl)c(Cl)c(Cl)c(Cl)c6c5=N4)=NC2=[N+]13"]
["655434","Br.Oc1noc(C2CCNCC2)c1-c1ccccc1Cl"]
["167428019","CC(C)(C)c1cc2c(c([N+](=O)[O-])c1)C1=[N+]3C2=Nc2c4c([N+](=O)[O-])cc(C(C)(C)C)cc4c4n2[B-]3(O)n2c(c3cc(C(C)(C)C)cc([N+](=O)[O-])c3c2=N4)=N1"]
["171070756","Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2Cc1ncco1"]
["20801101","Clc1cccc([C@H]2C=C(c3ccc(Br)cc3)N=C3[NH+]=CNN32)c1Cl"]
["73896328","N#[N+]c1cccc2c1C(=O)c1cccc(Cl)c1C2=O.O=S(=O)(O)O"]
["115640434","CC(C(O)=Nc1nc(CN(C)C)cs1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O"]
["43730414","CC(O)=Nc1cccc2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O"]
["62762981","Clc1ccccc1C1=N/C(=C2\\C=NN=C2c2ccccc2)ON1"]
["68757750","CSc1ccc(SC)c2c1C1=Nc3c4c(SC)ccc(SC)c4c4n3C35n6c(c7c(SC)ccc(SC)c7c6=NC6=[N+]3C(=N4)c3c(SC)ccc(SC)c36)=NC2=[N+]15"]
["43336195","Clc1c(Br)cccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["64116851","Nc1onc(C2CC2)c1-c1ccccc1Cl"]
["76239038","[6CH3][6C]([6CH3])([6CH3])[6c]1[6cH][6cH][6c]2[6c]([6cH]1)-[6c]1[6cH][6c]3[7nH][6c]([6cH][6c]4[7n][6c]([6cH][6c]5[7nH][6c]([6cH][6c]-2[7n]1)[6c]1[6cH][6c]([6C]([6CH3])([6CH3])[6CH3])[6cH][6cH][6c]51)-[6c]1[6cH][6c]([6C]([6CH3])([6CH3])[6CH3])[6cH][6cH][6c]1-4)[6c]1[6cH][6c]([6C]([6CH3])([6CH3])[6CH3])[6cH][6cH][6c]31"]
["76239059","[6CH3][6C](=[8O])[8O][6CH2][6C@H]1[8O][6C@@H]([7n]2[6cH][7n][6c]3[6c]([8OH])[7n][6c](=[7N][6C@@H]4[6c]5[6c]([6cH][6cH][6c]6[6cH][6c]7[6cH][6cH][6c]8[6cH][6cH][6cH][6cH][6c]8[6c]7[6cH][6c]56)[6C@H]([8O][6C]([6CH3])=[8O])[6C@@H]([8O][6C]([6CH3])=[8O])[6C@@H]4[8O][6C]([6CH3])=[8O])[7nH][6c]32)[6CH2][6C@@H]1[8O][6C]([6CH3])=[8O]"]
["110930362","CC(C)(C)C1=PP2[C@@H](C(C)(C)C)P1P1C(C(C)(C)C)=P[C@H](C(C)(C)C)P21"]
["49869124","COC(=O)c1c(C(C)(C)C)ppn1P1C(C(C)(C)C)=C(C(C)(C)C)P(OC)C1C(C)(C)C"]
["96864207","CC(C)(C)NP1C(C(C)(C)C)PC1C(C)(C)C"]
["164030527","C[C@@H]1C(=S)N(C(C)(C)C)[C@@H]1C(C)(C)C"]
["172201519","CC(C)(C)C1=NC(C(C)(C)C)=C2NCCN=C2N1"]
["156374656","CC(C)(C)C1c2nc[nH]c2C(C(C)(C)C)N1C(C)(C)C"]
["43795415","CC(C)(C)c1ccc(C(C)(C)C)p1-p1c(C(C)(C)C)ccc1C(C)(C)C"]
["198350046","CC1N=C(C(C)(C)C)NS1"]
["67227344","CC1=NC(C(C)(C)C)C(=O)N1C(C)(C)C"]
["56041004","CC(C)(C)NCC1(c2ccccc2F)CC(C(C)(C)C)C1"]
["156307968","CCC1(CC)C(O)=NC1C(C)(C)C"]
["20184082","CC(C)(C)[C@H]1N=C(O)CN1"]
["74352595","C=[N+](CC[NH+]=C1C=CC=CC1=NN=c1n(C)ccn1C)CCSSCC[N+](C)(C)CC[NH+]=C1C=CC=CC1=NN=c1n(C)ccn1C"]
["101275073","COC(=O)C(=C/c1ccccc1)/N=N/N=c1n(C)ccn1C"]
["77554270","CC(OC([O-])=C1C=CC=CC1=NS(=O)(=O)c1cc(F)ccc1F)c1nnc(-c2cccs2)o1"]
["171897886","CC[N+](CCO)=C1C=CC(=CC=C2C=CN(CCSSCCN3C=CC(=CC=C4C=CC(=[N+](CC)CCO)C=C4C)CC3)C=C2)C(C)=C1"]
["194224322","CCC([O-])=Nc1ccc(NCCSSCCN=C2C=CC(N=C(O)CC)=CC2=NN=c2n(C)ccn2C)c(N=Nc2n(C)cc[n+]2C)c1.COS(=O)(=O)O.COS(=O)(=O)O"]
["75896688","Cn1ccn(C)c1=NN=C1C=CC(=[N+]=[N+]=c2ccccn2CCO)C=C1"]
["179383537","CN1CCN(CCSC(C)(C)I)CC1C[N+](C)(C)CCSC(C)(C)I"]
["7044139","CC[C@@H](C)N1CCC(Oc2ccc(C(O)=[NH+]CC[NH+](C)C)cc2Cl)CC1"]
["177762336","C/C=C1/C=CC=C/C1=N/CC"]
["74246188","COCCCC(O)=NOCCCCC[N+](C)(C)CCCN1C=CC(=Cc2[o+]c3ccccc3n2C)c2ccccc21"]
["181971286","CC1=CC(=[N+]2CCN(N=[N+]=[N-])CC2)C=CC1=NN=c1n(C)ccn1C"]
["21836773","Cn1cc[nH+]c1SCC(O)=Nc1cc(Cl)c(Cl)cc1Cl"]
["171591822","BrC(Br)C[Si]C[Si](Br)(Br)Br"]
["78515571","N=C(O)C[C@@H](Br)C(=N)O"]
["91117559","C[Si](C)[Si](C)([Si](C)(C)Br)[Si](C)(C)Br"]
["99795473","FC(F)C[Si]CCCCCC[Si](F)(F)F"]
["181094017","BrC(Br)Cc1cccnc1-c1ccccn1"]
["99348197","FC(F)C(F)C[Si]CC(F)C(F)F"]
["167118916","C=C[Si](C)(C)CC[Si](C)(C)Br"]
["63963636","N=C(O)C(Br)CO"]
["42616615","CC(=O)CC(C)C(C)Br"]
["171154415","CCC[Si]CC(N)N"]
["175383214","BrC(Br)CC[SiH](Br)Br"]
["79889970","CCC(Br)C([O])=O"]
["110838442","NNNNNNN=NNNNNNNNN"]
["184380818","C=NNNNNNNNNNNNNNNNC"]
["180465992","C=NNNNNN=C"]
["99674916","CCCOC(O)=NNNN"]
["78483083","CN(NNN)N(NNN)NNNN"]
["25100986","NCCCCCCCCCCCCCCNNNNN"]
["25843781","NNN[C]=O"]
["174635861","CC(C)CNNNN"]
["157013682","CC(C)(C)N=C(NN)[C@H]1CC1(C)C"]
["183092959","NNNNN=N[N-]NNNN"]
["181096482","CN(C)N(C)N(C)N(C)N(C)NNNNN"]
["148742835","NNNNNCI"]
["167342890","C[Se]1CC[Se](C)(#I)CC1.[I-]"]
["159195241","C[C@@H]1[C@H](N)CC[C@@H]1S[C@H]1CCOC1"]
["178649060","C=[N+]1[C@@H]2[C@H](C)C[C@@H]21"]
["100595646","CC1C2CC3C(=O)SC1C3C2"]
["63685132","CCN(CC)CCNC1(CO)CCCC(C)CC1"]
["50711348","CC1(C)COCC(C)(C)C12SC21C(C)(C)CC1(C)C"]
["180434316","CC(C)S1(C)CCNCC1"]
["198346913","CC1(Br)CCCC(C)(I)CCC(C)(C(C)(C)C)CC1"]
["195377343","COOCC1C(OOO)CC(C)C1O"]
["42716785","CC1(C)CC(C)(C)C(C)(C)CC1(C)C"]
["100816682","C[C@]1(I)CP1#P"]
["175792583","CC12C=CC(C)(C1)C2"]
["90807597","[Se]=C1[Se][C]2[Se]CC[Se]C2[Se]1"]
["191682523","C=C1[Se]CC[Se]1.C=C1[Te]CC[Te]1"]
["191511275","SC1[Se]CC[Se]C1S.[2H]CI"]
["82840874","OC1C2=C(C(F)C2)C1F"]
["69708376","S=C1[Se][C]2[Se]C[Se]C2[Se]1"]
["90954018","c1ccc2c(c1)[Se]CC[Se]2"]
["90776931","CCS[C]1[Se]C(=[Se])[Se]C1SCCOC1CCCCO1"]
["46767224","SC1[Se]CC[Se]C1[SH2+]"]
["66343402","CC1CCCC(C)CC(=O)C(C(C)C)CC1"]
["69826727","[Se]=C1[Se]CC(COC2CCCCO2)[Se]1"]
["183698095","SCC1[Se]CC[Se]1"]
["178077304","[Se]=c1[se]c([Se-])c([Se-])[se]1"]
["34257994","O=P(O)(O)O[14CH2][14C@H]1O[14C@H](O[14C@@H]2[14C@H](O)[14C@@H](O[14C@@H]3[14CH](O)O[14C@H]([14CH2]O)[14C@@H](O)[14C@@H]3O)O[14C@H]([14CH2]O)[14C@H]2O)[14C@@H](O)[14C@@H](O)[14C@@H]1O"]
["97775662","O[14CH2][14C@H]1O[14C@@]([14CH2]O)(O[14C@H]2O[14C@H]([14CH2]O)[14C@@H](O)[14C@H](O)[14C@H]2O)[14C@@H](O)[14C@@H]1O"]
["34047023","O=P(O)(O)O[14CH2][14C@H]1O[14C@H](O[14C@@H]2[14CH](O)O[14C@H]([14CH2]O)[14C@@H](O)[14C@@H]2O)[14C@@H](O)[14C@@H](O)[14C@@H]1O"]
["163446653","O=P(O)(O)O[14CH2][14C@H]1O[14C@](O)([14CH2]O)[14C@@H](O)[14C@@H]1O"]
["34406370","[14CH3][14CH2][14CH2][14CH2][14CH2][14CH2][14CH2][14CH]([14CH2][14C](=O)O)O[14C](=O)[14CH2][14CH]([14CH2][14CH2][14CH2][14CH2][14CH2][14CH2][14CH3])O[14C@@H]1O[14C@H]([14CH3])[14C@H](O)[14C@@H](O)[14C@H]1O[14C@@H]1O[14C@H]([14CH3])[14C@H](O)[14C@@H](O)[14C@H]1O"]
["97751325","O[14CH2][14C@H]1O[14C@](O)([14CH2]O)[14C@@H](O)[14C@@H]1O"]
["175389283","CC(C)OOP(=O)(O)OC(C)C"]
["148757358","Cc1cnn(COP(=O)(O)O)c1"]
["32144562","OC[14C@H]1O[14C]([14CH2]O)(O[14C@H]2O[14C@H]([14CH2]O)[14C@@H](O)[14C@H](O)[14C@H]2O)[14C@@H](O)[14C@@H]1O"]
["173533184","CC=COP(=O)(OC(C)C)OP(=O)(O)O"]
["163445923","O[14CH2][C@H]1O[14C@@H](O)[14C@H](O)[14C@@H](O)[14C@@H]1O[14C@H]1O[14C@H]([14CH2]O)[14C@@H](O)[C@H](O)[14C@H]1O"]
["171766185","CC(C)Cc1sc(=N)[nH]c1-c1occc1P(=O)(O)OCC(C)Cc1ccccc1"]
["198314837","N/C=C\\C=C/N(I)C=S"]
["59489463","CCC/C=C/C=C/C=C/N"]
["161546793","CCC(/C=C\\C=C/N)SSC(C)C(C)C"]
["91647097","NC=CC=CCl"]
["79062834","C=N/C=C\\C=C/N"]
["42748923","CC(C)C(C)CN(C)C=S"]
["149039995","C=CSC(=N/C=C/C=C/N)C1=NCCS1"]
["175639072","N/C=C\\C=C/Cc1cc(N)ccc1Cl"]
["175622035","N/C=C/C=C\\C=C\\[N+](=O)[O-]"]
["176478379","C/C=C\\C=C/N.c1ccc2c(c1)C2"]
["174876000","CN(C=S)NN"]
["169995128","CCNN(/C=C\\N)C(C)C"]
["176424781","Fc1c(F)c2c(c(F)c1NC13CC4CC(CC(C4)C1)C3)-c1nc-2nc2[nH+]c([n-]c3[n-]c(nc4[nH+]c(n1)-c1c(F)c(F)c(NC56CC7CC(CC(C7)C5)C6)c(F)c1-4)c1c(F)c(F)c(NC45CC6CC(CC(C6)C4)C5)c(F)c31)-c1c(F)c(F)c(NC34CC5CC(CC(C5)C3)C4)c(F)c1-2.[Mg+2]"]
["96603661","O=C1c2c(O)ccc(O)c2C(=O)c2c(N[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)ccc(N[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c21"]
["86280988","CN=c1nc(Cl)nc(NC23CC4CC(CC(C4)C2)C3)[nH]1"]
["188044097","Cc1cccc2c1CNc1c(NC34CC5CC(CC(C5)C3)C4)ccc(C(=O)OC(C)(C)C)c1-2"]
["MCULE-7731084705","O=C1C(NC23CC4CC(CC(C4)C2)C3)=C(c2cc(Cl)ccc2Cl)C(=O)N1Cc1ccc2c(c1)OCO2"]
["196723012","C#CC(=O)N1[C@@H](CCCC)Cc2c(n(C)c3ccccc23)[C@@H]1c1ccc(NC23CC4CC(CC(C4)C2)C3)cc1.S.S"]
["MCULE-7139891914","CCCOc1ccc(C2=C(NC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1"]
["179198060","CC(I)OC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(NC(C2=CN=CN(C)C2)C(F)(F)F)c1"]
["48753532","O=[N+]([O-])c1ccc(/C=N/Nc2nc(NC34CC5CC(CC(C5)C3)C4)nc(N(c3ccccc3)c3ccccc3)n2)cc1"]
["172114931","[C-]#[N+]C(CC1c2c(F)cccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2"]
["65534501","Nc1c(NC23CC4CC(CC(C4)C2)C3)ncnc1Sc1cccc2cccnc12"]
["MCULE-6311916696","CCOc1ccc(C2=C(NC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1"]
["31996713","C1SCSSSCSS1"]
["162246075","C1SCSS1.Cc1ccccc1"]
["711244","CN(C)C1CSSSC1"]
["73985145","[S]CC1SCSCS1"]
["32784550","CC(C=O)C1(C)SCCS1"]
["54716068","C1CCSSSC1"]
["18874029","C[NH+](C)C1CSSSC1"]
["101042936","C1OCC12CSSSC2"]
["99897392","C1SCSC2(SS1)SS2"]
["170435901","CC(I)C1SSCSSS1"]
["91362516","Cl[As]1SCSCS1"]
["185152085","OC1CSSS1"]
["161838369","N=C(O)O[Ge-]=[O+]C(=N)O"]
["83184661","C[C@@H](N)COC(=N)O"]
["163447513","N=C(O)OC[C@H]1[C@H](N)C(=O)N1S(=O)(=O)O"]
["194385359","CC(C)COC(=N)O.OCl"]
["25079144","N=C(O)Oc1[c]cccc1"]
["175188952","COC1CC(OC(=N)O)C1"]
["175326081","COC(=N)O.N=C=O"]
["100764634","CC(C)(C)[C@]1(OC(=N)O)CC[C@H](O)CC1"]
["79607261","C/C(=C\\C1CCC(/C=C(\\C)C(=N)O)CC1)C(=N)O"]
["193706369","F.N=C(N)O.[Si]"]
["26748836","N=C(O)NNO"]
["193620204","CCl.N=C(N)O"]
["76239668","[1CH3][1O][1c]1[1cH][1c]([1CH2][1CH]([1CH2][1OH])[1c]2[1cH][1cH][1c]([1OH])[1c]([1O][1CH3])[1cH]2)[1cH][1cH][1c]1[1OH]"]
["76239751","[1CH2]=[1CH][1CH]([1CH2][1CH2][1CH2][1CH]([1OH])[1CH2][1C](=[1O])[1c]1[1c](Br)[1cH][1cH][1cH][1c]1[1O][1CH3])[1O][1C]([1CH3])=[1O]"]
["76239781","[1CH2]=[1CH][1CH]([1CH2][1CH2][1CH2][1CH]([1OH])[1CH2][1C](=[1O])[1c]1[1c](I)[1cH][1cH][1cH][1c]1[1O][1CH3])[1O][1C]([1CH3])=[1O]"]
["69491842","[1CH3][1CH2][1CH2][1CH2][1CH2][1CH2]/[1CH]=[1CH]\\[1CH2][1C]([1OH])=[1N][1C@@H]([1CH2][1c]1[1cH][1cH][1cH][1cH][1cH]1)[1C]([1OH])=[1N][1C@H]([1C]([1OH])=[1N][1C@@H]([1CH2][1OH])[1C@@H]([1OH])[1CH2][1C]([1OH])=[1N][1C@H]([1C]([1OH])=[1N][1C@@H]1/[1CH]=[1CH]/[1C]([1OH])=[1N][1C@@H]([1CH]([1CH3])[1CH3])[1C](=[1O])[1N]([1CH3])[1C@@H]([1CH2][1c]2[1cH][1cH][1c]([1OH])[1cH][1cH]2)[1C](=[1O])[1O][1CH2]1)[1CH]([1CH3])[1CH3])[1CH]([1CH3])[1CH3]"]
["76239741","[1CH3][1O][1C]([1OH])=[1N][1CH]([1CH2][1C](=[1O])[1c]1[1cH][1cH][1c]([1O][1CH3])[1c](Cl)[1cH]1)[1C](=[1O])[1OH]"]
["76239891","[1CH3]/[1CH]=[1CH]/[1c]1[1cH][1cH][1c]([1O][1C@@H]([1CH3])[1C@H]([1OH])[1c]2[1cH][1cH][1c]([1OH])[1cH][1cH]2)[1cH][1cH]1"]
["76239883","[1CH3][1O][1c]1[1cH][1cH][1c](/[1CH]=[1C]2\\[1O][1c]3[1cH][1c]([1OH])[1cH][1cH][1c]3[1C]2=[1O])[1cH][1n]1"]
["76239868","[1CH3][1O][1c]1[1cH][1c]([1C@@H]2[1O][1C@@H]([1c]3[1cH][1c]([1O][1CH3])[1c]4[1c]([1cH]3)[1O][1CH2][1O]4)[1C@H]([1CH3])[1C@H]2[1CH3])[1cH][1c]([1O][1CH3])[1c]1[1O][1CH3]"]
["76239775","[1CH2]=[1CH][1CH2][1O][1c]1[1cH][1cH][1cH][1cH][1c]1-[1c]1[1c]([1OH])[1cH][1cH][1c]2[1cH][1cH][1cH][1cH][1c]12"]
["76240004","[1CH3][1O][1c]1[1cH][1c](/[1CH]=[1CH]/[1C](=[1O])[1O][1CH2][1CH]([1OH])[1c]2[1cH][1cH][1c]([1OH])[1cH][1cH]2)[1cH][1cH][1c]1[1OH]"]
["76239852","[1CH3][1O][1c]1[1cH][1cH][1c]([1C]2=[1CH][1c]3[1cH][1cH][1c]([1OH])[1cH][1c]3[1O][1CH2]2)[1c]([1OH])[1cH]1"]
["76239717","[1CH3][1O][1C](=[1O])[1c]1[1cH][1c]([1O][1CH3])[1c]([1O][1C@@H]2[1O][1C@H]([1CH2][1OH])[1C@@H]([1OH])[1C@H]([1OH])[1C@H]2[1OH])[1c]([1O][1CH3])[1cH]1"]
["60568424","C=[C+]CCC[CH+]C[C+](C[C-]=C(C[CH+]CC)C[CH-]C[CH2-])C[CH-]CCC"]
["96527306","[2H]/C(=C\\C([2H])=C(/[2H])C/C([2H])=C(\\[2H])C/C([2H])=C(\\[2H])CCCCC)C(=O)CCCC(=O)O"]
["78160772","CCCc1ccc(C2=CC=C=C(C(C)C)[CH]2)cc1"]
["92852562","CCNC/C(C)=C/c1nc(C)cs1"]
["46012075","[CH2+]C[CH+]CCC[CH-]C[CH2-]"]
["180724831","CCS(=O)(=O)N(C)c1ccc(-c2c(=C=[N-])c3[c-]([n+]2CC2CC2)C=C=CC=3)cc1.[CH3-].[U+2]"]
["79046039","C=[C+]CCCCCCCCC(=O)OCC([CH2-])(C)CC"]
["174966170","CCC[CH-]CCCCCCCC.[CH2-]CCC.[Mg+2]"]
["26708043","C=[C+]CCC[CH2-]"]
["26497962","CC[CH-]CC[CH+]CCCC"]
["185295096","[Al].[CH2-]CCNCC[CH+]CC.[CH2]C"]
["192475311","CCC[CH-]S(=O)(=O)CCCC.[Na+]"]
["150407164","[C-]#[N+]c1c(C)nn(-c2nc(O)nc(O)n2)c1NN=C1C(C)=Nn2c(C)nnc21"]
["144435445","Cc1nn(-c2ccccc2)c(C)c1NC(C)C(O)=Nc1ccc(F)cc1F"]
["44649651","CC1=C(C#N)C(=O)N(CC(C)O)C(=O)/C1=N\\Nc1cccc(Cl)c1Cl"]
["47281558","Cc1nc(C(O)=Nc2c(-c3ccc(F)cc3)nc3sccn23)nn1-c1ccc(F)cc1"]
["56142607","CCCCCCN1C(=O)C(C#N)=C(C)/C(=N/Nc2cccc(Cl)c2)C1=O"]
["149782124","[C-]#[N+]c1c(NN=C2C(=O)N(c3ccccc3)N=C2C(C)(C)C)n[nH]c1CC"]
["67495459","CCCCOC(=O)C1=NN=C(C)C1=NNN1CCOCC1"]
["75919817","[C-]#[N+]c1c(C)nsc1/N=N/c1sc(NS(C)(=O)=O)nc1C"]
["66390609","CC1=Nn2c(nc3c(Cl)cc(Cl)c(Cl)c3c2=O)/C1=N/Nc1cccc2c1C(=O)c1ccccc1C2=O"]
["161463689","CCn1nc(C)c([C@H](C)NS(=O)(=O)c2ccc3nc(O)cc(C)c3c2)c1C"]
["14311536","CC1=NN(C(=N)S)C(=O)/C1=N\\Nc1ccc(C)cc1O"]
["30454085","Cc1nnc(NNc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)nc1O"]
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["MCULE-4621653610","CCCc1nn(CCC)c2c1C(c1ccccc1O)C(C#N)=C(N)O2"]
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["MCULE-8401774156","N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)C1c1cccc(O)c1"]
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["84262052","O=C(Cn1c2c(sc1=O)[C@@H](c1ccc(O)cc1)C1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C1S2)N1CCCCC1"]
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["59459160","N[C@H]1C(O)=N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3OCc3ccc(-c5ccccc5)cc3)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3N=C(O)[C@H](N=C(O)[C@@H]4N=C(O)[C@@H](N=C2O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@H](C(=O)O)N=C3O"]
["195020041","Oc1ccc(C=Cc2c3c(cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1"]
["155525092","O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cc4ncnc(Cl)c4s2)[C@@H]1[C@@H](c1ccc(O)cc1)O3"]
["194984391","Oc1ccc(C=C2c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@@H]3c4cc(O)cc(O)c4-c4cc(O)ccc4[C@@H]3[C@@H]2c2cc(O)cc(O)c2)cc1"]
["178724262","C[N+]1(C)[CH-][CH-][N+](C)(CI)C1[Cl+]I"]
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["96293864","CC1(C)C2CCC(C2)C1(CI)OCCCC(F)(F)F"]
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["51526582","CC1(C)CC(CI)C1"]
["179080081","CCC1C(C)C(CC)C(C)C(CI)C1C"]
["73899299","C[C@H]1C[C@H]1CI"]
["97097443","CC1(Br)[C@H](CI)[C@]1(C)[Si](C)(C)C"]
["195904123","CCC1(OCI)C2CC3CC(C2)CC1C3"]
["12298690","C[N@+]1(CCOC2CCCCC2)CC[N@@+](C)(CCOC2CCCCC2)CC1"]
["49163273","C=CC(C(C(C)C)C(C)C)C(C(C)C(C)C(C)C)C(C)C(C)C(C)C(C(C)C(C)C)C(C(C)C(C)C)C(C(C)C)C(C(C)C)C(C)C(C)C(C)C(C)C(C)C"]
["174313848","C=CC(C)C(N=CO)C(O)=NS(C)=O"]
["162255624","C=CC(C=C)C(O)C(C)C"]
["150360046","CCCC(C(C)O)C(C)C(C)C"]
["78219882","C=CC(SOSC(C=C)C(C)O)C(C)O"]
["195467210","C=CC(C(C)C)C(CN=C)I=C"]
["25012987","C=CC(C)C(C)C(C)C=C"]
["149845145","CCC=CC(C(C)C(C)C(C)C)C(C(C)CC)C(C)(C)C"]
["149575348","CC(C)CC(C)C(C)C(C)C(C)C(C)C(C)C"]
["173873978","C=CC(N)[C@@H](C=C)[C@H](CC)[C@@H](C)[C@H](C)[C@H](C)N"]
["173925376","C=CC(Br)[C@H](C)[C@H](C)Br"]
["168489099","C=CCc1cc(C(C)C)c(N=Cc2cccc(-c3cccc(C=Nc4c(C(C)C)cc(CC=C)cc4C(C)C)c3O)c2O)c(C(C)C)c1"]
["101277719","C[N+]1=C=[N+]([B-](C)(C)[N+]2=C=[N+](C)[CH+][CH]2)C=C1"]
["44298524","C[N+]1=C=NC=C1.[Cl-]"]
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["149977017","C[N+]1=C=CSC=C1"]
["192538373","CC1=C[N+](C)=C=C1"]
["126557311","CN(C)c1ncccc1N(C)C(=O)C1CC(c2ccccc2)=NO1"]
["49334687","CC1CCC(c2ccccc2)=NO1"]
["68359202","C[N+]1=C=[N+](c2ccccc2)C=C1"]
["65453525","CN(C(=O)C1CC(c2ccccc2)=NO1)C1CCCCCC1"]
["172119265","C#CC#CC#C[N+]1=C=[N+](C)C=C1"]
["97142732","FN(F)C12C3C4(N(F)F)C1C1(N(F)F)C2(N(F)F)C3(N(F)F)C41N(F)F"]
["57807410","FNC1=NCCCCC1(N(F)F)N(F)F"]
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["104888864","COC(=O)[C@@]12CNCC[C@@H]1O2"]
["176290552","CC.CC.CC1CCCCC1N(C)F"]
["97776615","O=C(O)C12CC(N(F)F)(C1)C2"]
["167334723","FN(F)C12CC3CC(N(F)F)(CC3C1)O2"]
["194496588","O=C(OC1NCC12CN=C(O)C2)C(F)(F)F"]
["110892238","FN(F)C12CC3(N(F)F)CC(N(F)F)(C1)C(N(F)F)(N(F)F)C(N(F)F)(C2)C3"]
["26863412","FN(F)C1C=CC=CC1(N(F)F)N(F)F"]
["198444029","CC(C)C12CC(N(F)F)(C1)C2"]
["79563315","O=S(=O)(OF)N(F)F"]
["47693925","[Si]1#[Si]B([Si+]=[B-]2[Si]#[Si][Si]#[Si]2)[Si]#[Si]1"]
["59183785","[Si]1=[Si+]B([Si+]=[B-]2[Si]#[Si][Si]#[Si]2)[Si]#[Si][Si-]=1"]
["64960709","[B+]1[Si]#[Si][B-](=[Si]B2[Si]#[Si][Si]#[Si]2)[Si]#[Si]1"]
["168914096","C1=CC2=CCc3c(-c4nccc5c4ccc4ccccc45)ccc4c3C2C(=C1)C=C4"]
["80393166","O=S(=O)(NC(C1CC1)C1CC1)c1cccc2ccccc12"]
["78936630","c1ccc(-c2cc(-c3ccccc3)cc(-c3ccnc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6ccc54)n3)c2)cc1"]
["76868437","CCN(CC)CCCC(C)N=c1ccc2c(ccc3ccccc32)[nH]1"]
["154666395","C1=c2c(-c3ccccn3)nccc2=N/C1=C1\\NNc2cnc(-c3cncc(OC4CCCCC4)c3)cc21"]
["195462834","CC1(c2cccc3ccccc23)C=C(c2ccccc2-c2ccc3c(-c4ccc([N+](=O)C(=N)[Si](C)(C)C)cc4)cccc3c2)NC(=C2C=CC=C2)N1"]
["152655416","CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12"]
["177632120","OC(=N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cc[nH]c2nccc1-2"]
["175489508","CCC=CC(C1CC=CC=C1c1nccc2ccccc12)[n+]1ccccc1-c1ccccc1C"]
["45490580","CC(CN)n1c(=O)c(-c2cn(CC3CCCO3)c3ccccc23)nc2cc(Cl)c(Cl)cc21"]
["45985324","COc1ccc(C2C3=C(N=C4SCCC(=O)N42)c2ccc4ccccc4c2OCC3)cc1"]
["170140661","c1ccc(N(c2cccc3c2sc2cc4ccccc4cc23)c2cccc3ccc4c5ccccc5ccc4c23)cc1"]
["101026797","c1cc2[se]c3c([se]c4c5[se]c6cc[se]c6c5[se]c34)c2[se]1"]
["91190438","CC1=Cc2cc[se]c2C1[Si](C)(C)C1C(C)=Cc2cc[se]c21"]
["60503946","O=C(O)c1cc2cc[se]c2[nH]1"]
["48992455","O=c1cc[nH]c(CC=CCl)c1"]
["46836788","c1ccc(-c2cc3cc[se]c3o2)cc1"]
["79148751","c1cc2c([se]1)OCCO2"]
["167290244","O=C1c2ccccc2C(=O)N1CC=Cc1cnc(O)[nH]1"]
["196655335","Nc1cccc2c1[se]c1ccccc12"]
["75388103","C1=CN2NC=C[C]2N=1"]
["91282316","O=c1oc2ccccc2c2[se]c3ccccc3c12"]
["95609620","Fc1cc(Sc2ccc(Cl)cn2)ccn1"]
["83983234","Oc1c[se]c2ccccc12"]
["187375499","CBS1(C)NS(C)(C)NS(C)(C)NS(C)(C)N1"]
["172985493","CS1(Cl)C=CC=CN1"]
["187283580","C=S=BBC"]
["74168785","FC1(F)C(F)(F)S(=S)(=S)NS(=S)(=S)C1(F)F"]
["195763378","CC(C)(C)[c+]1nn[n-][nH]1.[Re]"]
["173654590","CS1(C)NCCCN1"]
["176975538","CS1(C)CN1"]
["188118536","CN(C)SN1S(C)(C)NS(C)(C)NS1(C)C"]
["164279613","CS1(c2ccccc2)NS(C)(c2ccccc2)NS(C)(c2ccccc2)N1"]
["178756516","CS1(C)=CNC=1"]
["173957530","C[B]S1(C)NS(C)(C)NS(C)(C)NS(C)(C)N1"]
["174458547","CS1(C)C=CC=C1Cl"]
["100189585","C1=CN2C=C3N=CC=NC3N=C2N=C1"]
["11508858","O=C1[C@@H]2N=CN=C2N[C@H]2N=CC=CN12"]
["98208230","O=C1CN=CC2C=CC=C(C2)N2C3=NC=NC(C4C=CCN=C4N=CC=N1)N32"]
["185769060","CCN(C)c1nccnc1N1C=CC=NC=C1"]
["166515068","O=CCC1=NC2N=CC=CC2=N1"]
["63480134","Cn1ccc2c1C(C(C)(C)C)=NS2(=O)=O"]
["184094093","CC(C)N1C=CC=NC1=C=O"]
["182161252","COc1cccc(N2C=CC=NC2N=[N+]=[N-])c1"]
["198439237","CC(C)(O)C1=CC=C2N=CC=CC2C1N"]
["81111210","CN(C)C=CC(O)=C1C(=O)N=C2N=CC=CN21"]
["185246697","C1=CN(c2ccccc2)C(c2ccccc2)N=C1"]
["173742314","OB(O)N1C=CC=NC1F"]
["184590221","OCCc1c[nH]c2c1=CC=IC=2"]
["144848053","OCCc1cc(F)c(F)cc1Cl"]
["42985384","OCCc1cc(Br)cnc1Cl"]
["114604894","COc1ccc(COc2ccccc2CCO)cc1N"]
["89654384","Cn1c(CCO)cnc1-c1c[nH]c2ccccc12"]
["88150691","Cc1ccc(SCC(C)C)c(CCO)c1"]
["57349887","O=C(c1ccccc1)c1cc(O)ccc1CCO"]
["179882367","OCCc1ccc(CCCc2ccc(-c3cc[nH]c4nccc3-4)cc2)cc1"]
["174589747","O=C(O)CCCCc1c[nH]c2ccc(Cl)cc2c1=O"]
["114605989","CC(C)OCCOc1ccccc1CCO"]
["107798502","CC1=CC=CC(=C2NC(C)=C(CCO)S2)C1=O"]
["173001657","Cc1cccc2c(C(C)(CCCO)c3c[nH]c4ccccc34)c[nH]c12"]
["99808668","C[Si](C)(C)O[Si](C)(C)O[Si](C)(CC[Si-]=[O+][Si](C)(C)C[Si-]=[O+][Si](C)(C)CCC[Si-]=[O+][Si](C)(C)C)O[Si](C)(C)C"]
["171061348","C[Si-]=[O+][Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCl"]
["171789756","C=Cc1c(O[Si](C)(C)C)c([O+]=[Si-]C)c(O[Si](C)O[Si](C)(C)C)c(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1[Si-]=[O+][Si](C)(C)CO[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["161830860","C[Si](O[Si](C)(CCl)O[Si](C)(C)C)C(Cl)Cl"]
["181508084","CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC1=C(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)C(C#N)(C#N)C(C#N)(C#N)C=C1"]
["190579979","CO[Si](C)(CCC(C)(F)F)O[Si](C)(C)O[Si](C)(C)C.C[SiH](C)O[Si](C)(CCC(C)(F)F)O[Si](C)(C)C"]
["60837527","C[Si](C)(C)CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["58658108","C[Si](C)(C)O[Si](C)(CCc1ccccc1)O[Si](C)(C)C"]
["34417507","CCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["163525861","C[SiH](O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C"]
["78607179","CCC(O)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C"]
["196497021","CCCCCCCCCCC[Si](C)(O[SiH](C)O[Si](C)(C)C)O[Si](C)(CCCOCC(O)CO)O[Si](C)(C)C"]
["168622685","C1=[Si]C=[Si-]/C=C\\C=[Si+]1"]
["91497116","C1=C[Si-]=C[Si+]=C1"]
["83061252","C1=[Si+]C=[Si-]1"]
["60579930","[C-]1=C[Si+]=CC=C1"]
["170657986","C1=[Si+]/C=C\\C=C/C=C\\[Si-]=1"]
["64920725","C1=[Si]=C[Si-]=C[Si+]1"]
["52916425","C1=[Si]=C[Si+]=C[N-]1"]
["52739790","C1=CC=[Si+]C=C1"]
["170953595","C1=C[Si-]=[O+][Si]=C1"]
["183017732","[N-]=[N+]=NOC(OCCBr)(OCCCBr)C(OCCCCl)(OCCCCCl)C(I)(OCCCC(Br)OCC(F)(F)F)OC(OCCCC(F)(F)F)(OCCC(F)(F)F)C(I)(OCCl)OCCCl"]
["182148573","CCCCCCCCOC(OCCCCCCC)(ON=[N+]=[N-])C(CC)(OCCCCCC)C(OCCCCC)(OCCC(C)C)C(OC(C)CC)(OC(C)CC)C(COC(C)C)(OCCC)OCCCC"]
["181272571","COCCOC(Cl)(OCCF)C(OCOC)(ON=[N+]=[N-])OC(C)C"]
["181296172","CCCCCOC(OC(C)(C)C)(C(C)(OCCC)ON=[N+]=[N-])C(OCC(C)C)(OC(C)CC)C(OCCCC)(OC(C)C)C(OCC)(OCCC)C(OCC(C)CC)(OCC(C)(C)C)OC(CC)(OC)C(C)OC"]
["182907752","CCC(CC)COC(OCC(C)(C)CC)(ON=[N+]=[N-])C(C)C(C)(C)OCCC(C)(C)C"]
["182294918","CCCCCCN(C)c1cccc(S(=O)(=O)CCCCOC(OCCCCCS(=O)(=O)c2ccc(N(C)C)cc2)(ON=[N+]=[N-])S(=O)(=O)c2ccc(N(CCCCC)CCCCC)cc2OCCCS(=O)(=O)c2ccccc2N(C)CC)c1"]
["181415070","CC(F)COC(OCCCF)(OCC(F)(F)F)C(C)(F)ON=[N+]=[N-]"]
["184036115","[N-]=[N+]=NOC(OC(Cl)(OC(F)F)C(Br)(I)OC(F)F)(OC(OCCF)(OCCCl)C(F)(F)OCC(Br)(OC(F)F)OC(F)(F)F)C(F)(F)F"]
["182439172","CCCCCCCOC(C)(C(OC(C)C(C)CC)OC(CC)C(C)C)C(ON=[N+]=[N-])(OC(C)CCC(C)C)C(C)C"]
["182888311","CCCCCOC(OCC)(OCCC)C(C)(C)C(OCCC(C)C)(ON=[N+]=[N-])OC(C)(C)C(C)(C)C(C)OCC(C)C"]
["183947828","[N-]=[N+]=NOC(F)(OC(Cl)(Cl)OC(F)(F)F)C(Br)(OC(F)(F)C(Cl)(OCCl)OC(Cl)OC(F)F)OC(OCCl)(OC(Cl)Cl)C(F)(F)OC(Cl)(Cl)Cl"]
["182307558","CCCCCOC(OC(C)=O)(OC(=O)CCCCC)C(OC)(OCCC)C(=O)ON=[N+]=[N-]"]
["180935807","CC12CC34CC56CC78CC9%10CC%11%12CC%13%14CC%15(C)CC%16%17C%18(CCC%16%19C%16(C%18)CC%18%20CC%21%22CC%23%24C%25%26CC%27%28CCC%27%29CC%27(C1)C23C51C%29%27C%28%25C%231C76C91C4%24C%21(C%26)C82C%11%10C%19(C%15%12%17)C%16%18C%132C%22%201)C%14"]
["50595287","CC(NCCC1=CCCCC1)=C1C(=O)CC2C1C2(C)C"]
["180270117","CC12CCC3(C)CC45CCC46CCC13C1(C)C(C)(CC2)C(C)(C6)C51C"]
["49744755","CCN(CC)CCNC(C)=C1C(=O)C[C@@H]2[C@H]1C2(C)C"]
["167329154","C1CC12C[C@]21C[C@]12C[C@]21C[C@]12C[C@]21C[C@@]12C[C@@]21C[C@]12C[C@]21C[C@]12C[C@]21C[C@]12CC21CC1"]
["179450141","C1C23C45C[C@]67C[C@]14C52[C@]36C7"]
["173147822","CC1C2(C)CC3(C)CCC4(C)CC5(C)CC1(C)C1(C)CC2(C)C3(C)CCCC42CC512"]
["24573297","C/C(NCCN(C)C)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C"]
["SN0337008-02","C/C(NCCN(C)C)=C1\\C(=O)CC2C1C2(C)C"]
["190949721","C1C[C@@]23C[C@@]45CC67C[C@@]89C[C@]%10%11CC[C@@]%10%12C[C@]%10%13CC[C@]%10%14C[C@@]%10%15CC%16%17C[C@]%18%19C[C@]%20%21CC[C@@]%20%22C[C@]12C%221[C@]34C2([C@@]65C3([C@]%16%10C4([C@@]738)[C@@]%14%15C%13%12[C@@]4%119)[C@]%172%18)[C@@]1%21%19.C1C[C@@]23C[C@@]45CC67C[C@@]89C[C@]%10%11CC[C@@]%10%12C[C@]%10%13CC[C@]%10%14C[C@@]%10%15CC%16%17C[C@]%18%19C[C@]%20%21CC[C@@]%20%22C[C@]12C%221[C@]34C2([C@@]65C3([C@]%16%10C4([C@@]738)[C@@]%14%15C%13%12[C@@]4%119)[C@]%172%18)[C@@]1%21%19"]
["195061531","CC(N[C@@H](CO)[C@H](O)c1ccc(N([O-])O)cc1)=C1C(=O)C[C@@H]2[C@@H]1C2(C)C"]
["179657515","C1C23CC24C[C@@]42CC[C@]4(CC134)C2"]
["34511970","O=S1/C=C\\S/C=C\\S/C=C\\S/C=C\\S/C=C\\1"]
["162163466","CC(=O)C1=CSC=CS1"]
["188715341","CC1=CSS(=O)N1"]
["57232702","O=S1C=CSc2ccccc21"]
["21415762","O=S1OSO1"]
["74216538","C#CC1C=CS(=O)S1"]
["182262396","O=C1C=CS(=O)C1=O"]
["64902735","O=S1C=CC=C1Cl"]
["174657461","CC.CC1(C)C=CSC=C1"]
["91052651","COC1C=CSC=C1"]
["65508547","C1=C[Te]C=CS1"]
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["83055729","[Si+]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si-]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si-][Si]#[Si][Si]#[Si][Si]#[Si+]"]
["171868230","[Si+]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si-]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si-][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si+]"]
["45598929","[Si+]#[Si][Si-]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si+][Si]#[Si-]"]
["61525175","CC[Si]#[Si][Si-]=[Si]=[Si]=[Si]=[Si+]C"]
["171868232","[Si+]#[Si][Si]#[Si][Si-]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si-][Si]#[Si][Si]#[Si+]"]
["52600356","[Si+]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si-]=[Si]=[Si]=[Si]=[Si](Cl)Cl"]
["172988834","C[Si](C)(Cl)[Si]=[Si]=[Si]=[Si]=[Si-][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si+]"]
["161719277","[Si+]#[Si][Si]#[Si][Si]=[Si]=[Si]=C1C=CC=[C-]C1"]
["62043066","[Si+]#[Si][Si-]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si-][Si]#[Si+]"]
["189988766","CCO[Si](OCC)(OCC)[Si]=[Si]=[Si]=[Si]=[Si-][Si]#[Si+]"]
["171868258","[Si+]#[Si][Si]#[Si][Si]#[Si][Si-]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si]=[Si-][Si]#[Si][Si]#[Si+]"]
["177188480","[Si+]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si-]=[Si]=[Si]=[Si]=[Si](Cl)[Si]#[Si]Cl"]
["96949009","Cl/C=C/[Se]C(Cl)C(Cl)Cl"]
["175530311","C/C=C/Cl.Cl"]
["104898983","C[C@H](Cl)C(=O)/C=C\\Cl"]
["195800372","O=C(CC(O)C(Cl)Cl)C(F)Cl"]
["185873464","CC(C)(C)P(O)C(C)(C)C(Cl)Cl"]
["163460140","N=C[C@@H](N)Cl"]
["175495962","FCC(F)C(Cl)=CCl"]
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["69618572","CC(=O)C(CC=CCl)(C(C)=O)C(C)C"]
["26642100","ClC=CCCC(Cl)Cl"]
["114793477","CC(=O)C(C)C/C=C/Cl"]
["162856476","CC(=CC1(C)CCCC1)C(C)Cl"]
["99229440","[Se-]C1([Se-])C=C[CH+]C=[O+]1"]
["185655423","CNC1(Cl)C=CC=CN1"]
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["170658092","FC1(F)C=C[CH+]1"]
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["186673014","CC1CNC[C@H](CO)O1"]
["186672470","CC1CNC[C@@H](CO)O1.Cl"]
["175696213","C1=C[SiH]=C1.[Ti]"]
["176463347","CB(O)c1ccccc1N"]
["64180456","Cc1conc1C.N=CO"]
["88159829","CC(C)c1ccc(C(O)CN)o1"]
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["173665940","[B]=C([CH2-])O[B+]OC(=[B+])[CH2-]"]
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["173733251","[B+]=C([CH2-])CB(C)S"]
["100238745","[B+]=C([CH2-])C.c1ccccc1"]
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["173670827","[B+]=C([CH2-])N=CN=C(C)C"]
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["99366339","[B+]=C([CH2-])O[C@@H](C)c1ccccc1C"]
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["44077774","[Hf+4].[Zr+2]"]
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["68669157","[Co+2].[Zr+2]"]
["102937330","[13CH4].[13CH4].[Zr+2]"]
["47430450","[Al+3].[Ni+2].[Zr+2]"]
["43287287","[Hf+4].[Rb+].[Zr+2]"]
["56250176","[232Pa]"]
["51297763","[Fe+2].[Zr+2]"]
["68442662","[Hf+4].[Hf+4]"]
["33533790","[O-2].[Zr+2]"]
["45081312","[CH]=CNN"]
["49790438","[Fe+2].[Ni+2].[Zr+2]"]
["182474447","N#[N+]N=I(=[F+])N([O-])[O-]"]
["181883239","N#[N+]N([O-])CO"]
["184038067","Cc1ccc(C(N=[N+]=[N-])=N[N+]#N)cc1"]
["185254558","N#CN(N=[N+]=[N-])C(=N)N"]
["99292124","CN=C(N(C)C)[N+](C)(C)C.N#C[O-]"]
["76146052","[O]N([O-])C1CC=[O+]C1"]
["182310934","N#[N+]N([O-])CCN=[N+]=[N-]"]
["161754092","N#[N+]C1=CC(=C([O-])O)C=C1"]
["181269985","N#[N+]N([O-])Cc1cccnc1"]
["63390354","CC=N[N+]#N"]
["184068778","N#[N+]N([O-])SN1CCOCC1"]
["183452523","C=C(C=C[O-])N=N[N+]#N"]
["67409724","S=P(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)[S-](=S)=S"]
["79700864","O=S(O)(O)=S.[Pd]"]
["79615058","O=S(O)(O)=S.[I-].[K+]"]
["193204036","O=S(O)(O)=S.[CH2-]CCC.[Na+]"]
["184791629","S=PS(=S)(=S)S(=S)(=S)S(=S)(=S)[S-](=S)=S.[U].[W]"]
["183387848","CCCCOP(=S)=NN"]
["78536774","O.O=S(O)(O)=S.[Na+]"]
["162312443","CS(I)(#I)[S-](=S)=S"]
["163948412","O=S(O)(O)=S.[Ca+2]"]
["78241899","[CH2-]COCCS(=O)(O)=S.[K+]"]
["158679957","N.N.OS(O)(=S)=S"]
["170450209","O=S(O)(O)=S.P"]
["64334010","CP1(C)=NP(C)(C)=N[PH](C)(C)N=P(C)(C)N=P(C)(C)N[PH](C)(C)[NH+]=P(C)(C)[NH2+]P(C)(C)=N1.ON(O)O.[Co]"]
["102975062","CP1(C)=NSN=P(C)(C)[NH2+]SN1"]
["74428467","C=P1=NP(C)(C)=NP(C)(C)=N1"]
["62952456","CP1(C)=NP(C)(C)(C)NP(C)(C)=N1"]
["75552244","C[PH]1=NP(C)(C)=NP(C)(C)=NP(C)(C)=N1"]
["74507508","CP1(C)=NP(C)(C)=N[PH](C)(C)NP(C)(C)=N1"]
["75614686","C[PH]1=NP(C)(C)=NP(C)(C)=N1"]
["186617023","CN(O)P1(F)=NP(F)(F)=NP(F)(F)=N1"]
["136629","OC1=NCCN1CC#CCN1CCCC1"]
["81855711","C=CCN(CC=C)[PH]1(F)N=P(F)(F)N=P(F)(F)N1"]
["62827619","CC1=NP(C)(C)=NP(C)(C)=N1"]
["99252310","CN(O)C=c1cccc2c1=[S+]N=N2"]
["26146251","C1[N]CC2NCC12"]
["89580692","FC1CNCC1C1CC1"]
["180080635","C/C=[N+](\\C)C1CN1"]
["161764926","C1=CC2CNC(C2)N1"]
["108580002","Cc1ccc([C@H]2CN[C@@H](C3CC3)C2)cc1"]
["26201255","C1CCC(C2CNCC[N]2)CC1"]
["52511220","CN1CC2NCC(F)C2C1"]
["26125827","[CH]1CCCNC1c1ccccc1"]
["73708668","Clc1cc(C2=CCC3CNC3C2)cnc1Cl"]
["151057949","C[C@@H]1CN[C@@H](CCO)CO1"]
["108593729","Brc1ccccc1[C@@H]1CN[C@H](C2CC2)C1"]
["119917891","FC(F)(F)c1noc(C2NCC3CCCC32)n1"]
["171874834","B1=BB2B=[B-]=BB2[B+]1"]
["181157004","[B]1B=BB2B=[B-]=BB1[B+]2"]
["198534079","CB1B=[B-]=BB(C)[B+]1"]
["173895059","B1=BC2B=[B-]=BC2[B+]1"]
["183989685","CCB1B=B[B+]B1[N]N=[N-]"]
["44782529","B1=[B-]=BB2C[B+]CB12"]
["66877082","FS(F)=NS(F)=NS(F)(F)(F)(F)F"]
["84286133","FC(F)(F)C(Cl)=NS(F)(F)(F)(F)F"]
["97287511","N=C(O)C(F)(F)C(F)(F)C(O)=NS(F)(F)(F)(F)F"]
["63998067","FS(F)=NCl"]
["162062668","FS(F)=NC(Cl)Cl"]
["175918060","FN=S(F)F.FN=S(F)F.[Na+]"]
["83987776","FS(F)=NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F"]
["63007564","FS(F)=NC(F)(F)F"]
["67768172","FS(F)(F)(F)(F)C#CS(F)(F)(F)(F)F"]
["182463781","CC1(N=[N+]=[N-])CC1C1(F)CC1"]
["63068919","FC(F)(F)/C(Cl)=N/S(F)(F)(F)(F)F"]
["79340218","O=S(F)S(=O)F"]
["167212812","[O][N+]1=N[N+](=O)C2C([N]1)N=[N+]([O])N=[N+]2[O]"]
["167213681","CC(C)(C)N=[N+]([O-])C1C(N=[N+]=O)[N-][N+]([O])=N[N+]1=O"]
["79599006","CN(C)[S-]([O])(=O)[N+]1=C=NC=C1.[Cl-].[Zn+]"]
["76177331","CN(C)[S-]([O])(=O)[N+]1=C=NC=C1"]
["12592297","Nc1nonc1[C@H]1N=NN=[N+]1[O]"]
["10064735","Nc1nonc1[C@@H]1N=NN=[N+]1[O]"]
["178561966","CC1C(C(F)(F)F)=N[N+](=O)C1C"]
["184284296","C1[I+]C[N+]2=N[C@@H]12"]
["74461977","CCN1C([S-])N=[N+](C)C1C"]
["167201070","CC(C)(C)N=[N+]([O-])C1C(N)[N-][N+]([O])=N[N+]1=O"]
["75281325","CCC(PCCCPC(CC)(C1CCCC(S(=O)(=O)O)C1)C1CCCC(S(=O)(=O)O)C1)(C1CCCC(S(=O)(=O)O)C1)C1CCCC(S(=O)(=O)O)C1"]
["55948413","CC1=N[N+](=O)C(C)C=C1N"]
["186542853","c1cc2cc3sc(-c4cc5sc6c7sccc7sc6c5s4)cc3cc2s1"]
["148160765","I.c1cc2cc(CNC3=NCCCN3)ccc2s1"]
["86256837","BrC(c1ccc2c(c1)COC2)c1cc2sccc2s1"]
["188255038","CCNC(CC)C(=O)c1ccc2ccsc2c1"]
["MCULE-6579248593","Fc1cc(F)c(-c2cccc3ccsc23)c(F)c1"]
["192660824","Cc1ccc2sc(-c3cc4/c(=N/N)c5c(C)c6c(c(C)c5c4s3)/c(=N\\N)c3cc(-c4cc5cc(C)ccc5s4)sc36)cc2c1.Cc1ccc2sc(-c3cc4/c(=N/N)c5cc6c(cc5c4s3)/c(=N\\N)c3cc(-c4cc5cc(C)ccc5s4)sc36)cc2c1"]
["186686402","c1cc2cc(N3CCC4CNCC4CC3)ccc2s1"]
["163092942","CCOC(=O)c1cc2ccsc2c(F)c1O"]
["113924293","OC(=Nc1ccc2sccc2c1)c1cc(S)cs1"]
["185888653","Fc1ccc2cc(Oc3cccc4ccsc34)sc2c1"]
["63660419","c1ccc(N(c2cccc(-n3cccn3)c2)c2cccc(-c3cc4ccccc4s3)n2)cc1"]
["180737007","O=Nc1cccc2ccsc12"]
["173466081","[B+]NPO[C+]([O-])[N-][C-](SC)[N+](CC[NH+](C)C)=C(O)PN[B+]O"]
["2360061","C[NH+](C)CCOc1ccccc1[N+](=O)[O-]"]
["13101461","CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)O)cc1"]
["194934034","CN=C1CC(O)(CO)CC(NCC(=O)O)=C1OC"]
["SN0120767","CCN=C1CC(O)(CO)CC(NCC(=O)O)=C1OC"]
["4176731","CN(C)CCOC(O)=[NH+][C@H](OCC[NH+](C)C)C(Cl)(Cl)Cl"]
["90940573","C[NH+](C)CC[NH+](C)CC(C)(C)[N+](=O)[O-]"]
["22782755","CCN(CC)CCCC(C)NS(=O)(=O)c1ccc(C(=O)O)cc1"]
["175215817","CC.C[NH+](C)CCC(C)(C)N(Cl)Cl"]
["12013237","C[C@@H](CCc1ccco1)N=C(O)NN=C(O)COc1ccccc1[N+](=O)[O-]"]
["48491493","COCC(COC(=O)OC)=C(C)C"]
["6160459","C[C@H](CCc1ccco1)N=C(O)NN=C(O)COc1ccccc1[N+](=O)[O-]"]
["193359917","CC(C)[C@@H](C)N(C)C(C)(C)C(C)(C)N(C)C(C)(C)C(C)(C)N(C)C(C)(C)[C@@H](C)C(C)C.CN(C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)N(C)C(C)(C)C(C)(C)N(C)C(C)(C)C(C)(C)C"]
["174321634","CC(C)[C@H](C)N(C)[O-]"]
["105687889","CC(C)[C@H](C)N(C)C(=O)[C@](C)(N)c1ccccc1"]
["9310800","CC(C)[C@@H](C)[C@@](C)(O)C(C)C"]
["155106918","C[C@H](C(=O)ON(C)OC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C"]
["178545884","CCC(C)(C)C(C)(C)N(C)[C@@H](O)NCC(C)(C)C"]
["94147577","CC(CC(=O)N(C)C1CCCCC1Cl)C(C)(C)C"]
["120754740","CC(C)C(C)N(C)CC(O)CNC(C)(C)C"]
["46685894","CCC(N)C(N(C)CC(C)C#N)C(C)(C)C"]
["115286685","Cc1ccc(-c2ccc(CNC(C)C)cc2Cl)s1"]
["68167854","CC(=O)CC(C)N(C)C(C)C(C)(C)C"]
["84456573","CC(C)C(C)N(C)c1ccc(F)cc1[C@H](C)O"]
["99789886","C=CN1[Si](=C[CH2+])N[Si-]N[Si]N[Si]1(C=C)C=C"]
["183696604","C=CN1C(=O)Cc2ccc(F)cc21"]
["79790091","C=CN1[Si](C=C)=N[SiH](C)N(C)[Si]1(C)C"]
["196374194","C=Cn1cccc(Br)c1=O"]
["161707280","C[O+]=[Si]1N[Si]N[Si-]N1"]
["15630280","C=CCn1[nH]c(CNc2ccc(Br)cc2)nc1=O"]
["93505606","C=C(Br)CN=c1[nH]ccn2nc(C(C)C)cc12"]
["43414106","C=C[Si]1(C=C)CO[Si]#[Si][Si]1(C=C)C=C"]
["175587552","C=C[Si]1(C)O[Si](C)(C)O[Si](C=C)(C=C(C)C)O[Si](C=C)(C=C)O1"]
["79055903","C=CN1[Si](C=C)(C=C)N[SiH2]N[Si](C)(C)N(C)[Si]1(C)C=C"]
["61574640","C=C[Si]1(C)N[Si]N[Si](C)(C=C)N(C)[Si](C)(C=C)N1C"]
["59781280","C=C[Si]1(C)O[Si-]=[O+][Si](C)(C)O1"]
["96553933","C1COCCS(=N[S+]2CCOCCOCCOCC2)CCOCCO1"]
["96979549","O=S1(=O)c2cc3c4c5c2Cc2c1cc1c6c2OCCOCCOCCOCCOc2c(c(cc7c2Cc2c(cc(c(c2OCCOCCOCCOCCO5)C6)S1(=O)=O)S7(=O)=O)S3(=O)=O)C4"]
["53585522","C=C1OCCOCCO1"]
["185039568","N=C(O)OC(O)=NC1CCOCC1"]
["91354635","C1COCCOCCOCCOCCOCCO1.[Br].[Br]"]
["184578025","CC1CC2CC1C1COCCOCCOCC21"]
["158453607","O=C(c1nccn2ccnc12)N1CCOCC1"]
["74561634","CC1CCOCCOCCOCCOCC1"]
["172844916","C1COCCO1.N=C=O.N=C=O"]
["97204642","CN(C)/C(N=S1CCOCC1)=N\\C#N"]
["91385297","C1COCCOCCOCCOCCOCCO1.CS(=O)(=O)Br"]
["193680320","C1COCCO1.CCCCOC(C)=O.O"]
["65556162","O=[Si](O[Si-]([O+]=[Si-]O)([Si+]O)=[Si-]O)[Si-]([O+]=[Si+]O)([Si+]O)=[Si-]O"]
["60262350","CO[Si](C)(C)[Si-]([O+]=[Si-]O)(=[Si+]O)[Si](O[Si](C)(C)[Si](C)=O)(O[Si-]([O+]=[Si-])(=[Si+]O)[Si-]O)[Si-]([O+]=[Si+]O)(=[Si+]O)[Si-]O"]
["61847746","C[Si](C)=[O+][Si](C[Si-]=O)[O+]=[Si-]"]
["45402031","CO[Si](OC)(OC)O[Si](C)(C)O[Si](O[Si](C)(C)O)([Si-](=[Si-])(OC)[Si-]O)[Si-]([O+]=[Si+]O)([Si+]O)=[Si+]O"]
["55961719","CO[Si]1(C)C[Si](C)(C)O[Si](C)(C)O[Si](O[Si-](OC)(=[Si-]O)[Si+](C)CCCS)([Si-]([O+]=[Si-]O)(=[Si+]O)[Si-]O)[Si-]1([O+]=[Si+]O)=[Si+]O"]
["99688354","C[O+]=[Si-]O[Si](=O)O"]
["171722420","O[Si-]=[O+][Si](O)(O)O"]
["49143646","C[Si-]=[O+][Si-](=[Si+]O)([Si-]O)[Si]([O+]=[Si-]O)([Si](C)(C)O)[Si](O[Si](C)(C)O[Si](C)(C)C)(O[Si-]([O+]=[Si-]O)(=[Si+]O)[Si-]O)[Si-]([O+]=[Si+]O)(=[Si+]O)[Si](C)(O)CCCNCCN"]
["53006156","CO[Si-](=[Si+]O)([Si](C)C)[Si](O[Si](C)(C)OO)([Si](O[Si](C)(C)O[Si](C)(C)CCCOCCO)(O[Si-]([O+]=[Si-]O)(=[Si+]O)[Si-]O)[Si-]([O+]=[Si-]O)(=[Si+]O)[Si](C)(C)OO)[Si-]([O+]=[Si+]O)(=[Si+]O)[Si-]O"]
["170943533","C=C(C)C(=O)OC(O[Si](C)=[Si-](C)(C)C)([O+]=[Si-]C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)[O+]=[Si](C)C"]
["68766498","C=C[Si](C)(C)O[Si](C)(C)O[Si](O[Si](C)=[OH+])([Si-](C)(=[Si-])OC)[Si-]([O+]=[Si+]O)([Si+]O)=[Si-]O"]
["170627473","O=[Si](O[Si]([OH2+])[O+]=[Si-])O[Si-](O)[O+]=[Si-]"]
["79228448","[TeH]CCC[CH][Te]CC[TeH]"]
["97891095","CCCC[Te]/C=C\\C(C)O"]
["83513000","C[N+](C)(C)CCCON=CC=NOCCC[N+](C)(C)C"]
["77281829","ICC=CCCCCCC=CCI"]
["101710349","CCOC(=O)CCC[TeH].[Na+]"]
["91115035","CCCC[Te]C=CC=CC=O"]
["101679331","C[N+](C)(C)CCCO/N=C\\C=C\\C=N/OCCC[N+](C)(C)C.[I-].[I-]"]
["33237744","C=CCCCCC(Br)C(=O)Cl"]
["150098112","CCCCCCC=CC(C)(C)CC"]
["98308262","CCCCC=CC(C)(C)CC"]
["68495399","C=CCCC[N+](C)(C)C.[I-]"]
["43377861","C[N+](C)(C)CCCO/N=C/C=N/OCCC[N+](C)(C)C.[I-].[I-]"]
["179599755","C=I1=NC=CI2C=NC=C1C2"]
["177891263","SC1=CN=CC(Br)C1"]
["180723435","OC1C=NC=C(F)C1"]
["108588331","CN[C@H]1CCc2c1nnc1cc(C(C)(C)C)nn21"]
["91603146","NC1=CC2=CC=CCC23C=CN=CC3=C1"]
["91123782","C1=CN=[O+]C1"]
["178846533","CC1=C(I2C=CC=CC2)I(c2ccc(Cl)cc2)C=N1"]
["63979779","C=C1C=NC=CC1"]
["69590128","C=C1C=NC(C)C(C)C1"]
["180404158","C1=C2CCCI2C1"]
["170762406","C=C1C=N/C=C\\C(=C)C(C(C)C)CCC1"]
["51573656","CC(C)(O)CN1CCN(C(=O)c2cc(O)nc(O)c2)CC1"]
["193893127","C=CC1=C2C=CC3=[N+]2C24n5c(ccc5C(C=CC5=c6ccc7n6C68n9c(ccc95)C(C)=C5C=CC(=[N+]56)C(C)=C5C=CC(=[N+]58)C=7C)=c5ccc(n52)=C3C)C(C)=C2C=CC1=[N+]24.CC1=C2C=CC3=[N+]2C24n5c6ccc5C(C)=c5ccc(n52)=C3C=CC2=c3ccc5n3C37n8c(ccc8C=5C)C(=C5C=CC(=[N+]53)C(C)=C3C=CC2=[N+]37)C=CC6=C2C=CC1=[N+]24"]
["179668627","CC[n+]1ccccc1C1=C2C=CC3=[N+]2C24n5c1ccc5C(COC=O)=c1ccc(n12)=C(c1cccc[n+]1CC)C1=[N+]4C(=C3C)C=C1"]
["MCULE-1587774099","C=CCn1cc(OCC(O)=Nc2cccc(C)c2C)c(=O)cc1CNc1ccc(OC)cc1C"]
["193862976","Cc1ccc(C2=c3ccc4n3[C@@]35n6c(ccc6C=4c4c(C)cc(C)cc4C)C(c4c(C)cc(C)cc4C)=C4C=CC(=[N+]43)C(c3ccc(P(=O)(OC(C)(C)C)OC(C)(C)C)cc3)=C3C=CC2=[N+]35)c(C)c1"]
["191713553","Cc1ccc(C2=C3C=CC4=[N+]3C35n6c(ccc6C(C(CCP(=O)(O)O)CCP(=O)(O)O)=c6ccc(n63)=C4)C=C3C=CC2=[N+]35)cc1"]
["192948954","C#CC#CC#CC#CC.CC1=C2C=CC3=[N+]2C24n5c(ccc5C(C)=c5ccc(n52)=C3C)C(C)=C2C=CC1=[N+]24"]
["186848457","Cc1cc(C)c(C2=C3C=CC4=[N+]3[C@]35n6c2ccc6C(c2c(C)cc(C)cc2C)=c2ccc(n23)=C(c2c(C)cc(C)cc2C)C2=[N+]5C(=C4c3ccc(CP(C)(C)=O)cc3)C=C2)c(C)c1"]
["48269400","C=Cn1c(-c2ccccc2)ccc1C(C)c1ccc(-c2ccccc2)[nH]1"]
["193828072","COC(O)c1ccc(C2=C3C=CC4=[N+]3C35n6c(ccc62)C(c2ccccc2)=C2C=CC(=[N+]23)C(c2ccccc2)=c2ccc(n25)=C4c2ccccc2)cc1"]
["100286788","C=PC1=C2C=CC3=[N+]2CC24CC2n2c(ccc2=C(P=C)c2ccc1n24)=C(P=C)c1ccc(n1CCl)C3=[P+]=C"]
["191796619","OCc1ccc(C2=C3C=CC4=[N+]3C35n6c(ccc62)C(c2ccccc2)=C2C=CC(=[N+]23)C(c2ccccc2)=c2ccc(n25)=C4c2ccccc2)cc1"]
["191803004","C.CC1=C2C=CC3=[N+]2C24n5c(ccc5C(C)=c5ccc(n52)=C3C)C(C)=C2C=CC1=[N+]24"]
["172751283","O[SeH]=[SeH][Se][Se][Se][Se][Se][SeH]"]
["183140308","N[Se][Se][Se][SeH]=[SeH][Se]Cl"]
["164478127","O=[N+](O)Nn1nc(N([O-])O)nc1-c1nc([N+](=O)O)nn1N[N+](=O)O"]
["182026697","[N-]=N[N+]#[Se][SeH]=[SeH][Se][SeH]"]
["174910677","C=C(F)C(=C)C(C(=C)F)(C(=C)F)C(=C)F"]
["174827735","CC(=O)[Se][SeH]"]
["96769087","O=[N+](O)C(c1nnnn1N(F)F)(N(F)F)[N+](=O)O"]
["172698807","O[SeH]=[SeH][Se][Se][Se][Se][Se][Se][Se][Se][Se][SeH]"]
["79569848","SS[Se][Se][SeH]"]
["179009746","IC1=Cc2cc3c(cc2[Xe]1)C=C[Xe]3"]
["181924122","Cc1cc2c(cc1C)OC=CC(N=[N+]=[N-])=C2"]
["78746355","ClCc1ccc(I)cc1CBr"]
["162534405","N[C@H](c1ccc(I)cc1Cl)C1CC1"]
["SN0337214","[NH]C1C=CC(I)=C[NH+]1Cc1cccc(F)c1"]
["174669214","C=NN1C(Cl)=CC=N/C1=C\\Br"]
["180691202","Ic1c[nH+]n2cc(I)cc2c1"]
["26636228","O=C=c1ccc2c(c1)C=C[C](O)C=2"]
["195910213","FC1(F)Oc2cc3c(cc2O1)N=C(I)C3"]
["101313684","C=C1C=C(C)C=C[C]1I"]
["162133195","NC(c1ccc(I)cc1Cl)C1CC1"]
["73522623","[O]C=C1C=C(I)C=N1"]
["168621761","[Si+]1C2[Si+]C3[Si-]C4[Si-]C5[Si-]C6[Si+]C1c1c2c3c4c5c16"]
["168477948","[Si]1C2[Si+]C1[Si-]2"]
["62883359","CC1[Si+]C(C)[Si-]1"]
["168465303","[Si+]1C2[Si+]C3[Si-]C1[Si-]C([Si+]2)[Si-]3"]
["89232073","Cc1cccc(C2NC(C)Cc3c(C)cccc32)c1"]
["69687095","[Si+]1C2[Si-]C12"]
["34281100","FC12C3=C4C5=C6C7(F)C8=C4C4(F)C3(F)C3(F)C9=C1C1(F)C%10(F)C2=C5C2(F)C6(F)C5(F)C6(F)C7(F)C7(F)C%11=C%12C%13(F)C(F)(C87F)C4(F)C4(F)C3(F)C3(F)C9=C7C1(F)C1(F)C8(F)C7(F)C7(F)C3(F)C(F)(C%134F)C3(F)C%12(F)C4(F)C%11(F)C6(F)C6(F)C5(F)C5(F)C2(F)C%10(F)C1(F)C5(F)C1(F)C8(F)C(F)(C73F)C4(F)C61F"]
["97591454","FC12C3=C4C5(F)C1(F)C1(F)C6=C7C8(F)C1(F)C1(F)C9=C%10C(F)(C21F)C1(F)C3(F)C2(F)C3(F)C%11=C%12C%13(F)C%14(F)C%15(F)C%16=C%17C%18(F)C%15(F)C%15(F)C%19=C%20C(F)(C%13%15F)C%13(F)C%12(F)C2(F)C4(F)C%13(F)C2(F)C%20(F)C(F)(C6(F)C52F)C2(F)C%19(F)C%18(F)C(F)(C72F)C2(F)C%17(F)C(F)(C9(F)C82F)C2(F)C%16(F)C(F)(C%11%14F)C(F)(C%102F)C31F"]
["154742358","FC1(F)CCC(CSc2nc[nH]n2)C1"]
["97140414","FC12C3=C4C5(F)C1(F)C1(F)C6=C7C8(F)C9(F)C%10(F)C%11=C%12C%13(F)C%14(F)C%15(F)C%16=C%17C%18(F)C%15(F)C%15(F)C%19=C%20C(F)(C%15(F)C%11%14F)C%10(F)C8(F)C8(F)C%20(F)C%10(F)C%11(F)C%19(F)C%18(F)C%14(F)C%11(F)C%11=C(C2(F)C2(F)C%11(F)C%10(F)C8(F)C7(F)C12F)C1(F)C3(F)C(F)(C%17(F)C1%14F)C1(F)C%16(F)C%13(F)C(F)(C41F)C1(F)C%12(F)C9(F)C6(F)C51F"]
["32192073","FC12C3=C4C5=C6C7(F)C8=C4c4c3c3c9c%10c4C4(F)C8(F)C8(F)C%11=C%12C4(F)C%10(F)C4(F)C%10(F)C9(F)C9=C%13C%14(F)C(F)(C1=C93)C1(F)C2=C5C2(F)C3(F)C5=C9C%15=C%16C%17(F)C5(F)C(F)(C62F)C(F)(C78F)C%17(F)C%11(F)C2(F)C%16(F)C5(F)C%15(F)C(F)(C%13(F)C%10(F)C5(F)C4(F)C%122F)C%14(F)C9(F)C13F"]
["155058229","FC1(F)CC[C@@H](CSc2nc[nH]n2)C1"]
["62470921","COc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F)n1"]
["169780885","FC12C3=C4[C@@]5(F)[C@]6(F)[C@@]7(F)C8=C9[C@]%10(F)[C@@]%11(F)[C@]%12(F)C%13=C%14[C@@]%15(F)[C@]%16(F)[C@@]%17(F)C%18=C%19[C@]%20(F)[C@@]%21(F)[C@@]%22(F)C%23=C%24[C@@]%25(F)[C@]%26(F)[C@@]%27(F)C%28=C%29[C@]%30(F)[C@@](F)([C@@]3(F)[C@@](F)([C@@]%30%26F)[C@]%24(F)C1(F)C%23(F)C(F)(C%13(F)C2(F)[C@@]4(F)[C@]%12(F)[C@@]%106F)[C@@]%14(F)[C@@]%22(F)[C@]%20%16F)[C@]5(F)[C@]7(F)[C@@]%29(F)C1(F)C%28(F)C(F)(C%18(F)C(F)(C81F)[C@]9(F)[C@@]%17(F)[C@]%15%11F)[C@]%19(F)[C@@]%27(F)[C@]%25%21F"]
["97888328","FC12C3=C4C5(F)C1(F)C1(F)C6=C7C8(F)C1(F)C1(F)C9=C%10C(F)(C21F)C1(F)C3(F)C2(F)C3(F)C%11=C%12C%13(F)C%14(F)C%15(F)C%16=C%17C%18(F)C%15(F)C%15(F)C%19=C%20C(F)(C%13%15F)C%13(F)C%12(F)C(F)(C%10(F)C%13(F)C%10(F)C9(F)C8(F)C(F)(C%20%10F)C8(F)C%19(F)C%18(F)C(F)(C78F)C7(F)C6(F)C5(F)C(F)(C%177F)C5(F)C%16(F)C(F)(C%11%14F)C2(F)C45F)C31F"]
["155058228","FC1(F)CC[C@H](CSc2nc[nH]n2)C1"]
["96626043","FC12C3=C4C5=C6C3=C3C7(F)C1(F)C1(F)C8(F)C9=C%10C%11=C%12C9=C9C1(F)C1(F)C7(F)C7(F)C3(F)C3(F)C6(F)C6(F)C%13(F)C%14=C%15C%16=C%17C%14=C%14C(F)(C%133F)C7(F)C3(F)C%14(F)C7(F)C%17(F)C(F)(C%12(F)C7(F)C9(F)C13F)C1(F)C%11(F)C3(F)C7(F)C%10(F)C(F)(C4(F)C7(F)C4(F)C5(F)C6(F)C%15(F)C4(F)C3(F)C%161F)C28F"]
["54036202","C1C[OH+]CC[N-]CC[OH+]CC[OH+]CC[N-]1.[Pt+4]"]
["195652013","CNO[NH+]([O-])C1C=NC1"]
["161335666","C1COCC[N-]1.FC(F)(F)[C-]=[F+].[Cf+]"]
["65172804","[CH2+]C[C]1CC[N-]CC1"]
["171605038","CN1CC[N-]CC1.C[N-]C.[Rh+2]"]
["175442270","CN(C)C1CC[N-]CC1"]
["190129156","C1CC[OH+]CC1.N"]
["44141299","CN1C(=O)CC2(CC[N-]CC2)CC1=O.[La]"]
["199310944","CN1CC[N-]CCN(C)CC1.[Y]"]
["65077760","CCC1CC[N-]CC1.[Ac]"]
["62906125","CN1CC[N-]CC1.[W]"]
["175760945","CC1CCC[N-]CC1.[Re]"]
["175730237","[2H][si]1c[siH][siH][si]([2H])[si]1[2H]"]
["96694517","c1[siH]c[siH][siH][siH]1"]
["150572716","CC(C)[P+](C)(c1ccccc1P(C)c1ccccc1[P+](C)(C(C)C)C(C)C)C(C)C"]
["101028481","C[si]1[siH][siH]c[siH][siH]1"]
["97594897","c1[siH][siH]c[siH][siH]1"]
["97465383","c1[siH][siH][siH][siH][siH]1"]
["97225680","c1c[siH][siH][siH][siH]1"]
["101220608","O=P(O)(O)c1ccc(C#CC#Cc2ccc(P(=O)(O)O)cc2)cc1"]
["60767092","[2H]c1ccsc1"]
["98731322","C1=NCCCOC1"]
["181442888","O=P(=O)[Si]#[Si][Si]#[Si][Si]#[Si]"]
["183968512","[N-]=[N+]=NS(=O)#[Si]P(=O)=O"]
["172459643","CC1C(C)(C)C(C)(O)C(C)(C)C(C)([Si]#[Si][Si]#[Si])C1(C)O"]
["91154405","[Si]#[Si]P=P"]
["185774389","CC(C(=O)[O-])P(=O)=O"]
["91362752","FC(F)(F)[Si]#[Si][Si]#[Si]"]
["175779533","O=P(=O)[Se]P(=O)=O.[Co]"]
["181652999","CP(C)(C)=[Si+]P(=O)=O"]
["191874392","C=C.O=P(=O)[OH2+].[NH4+]"]
["160947810","O=P(=O)[OH2+].[Fe].[Ni]"]
["188134307","BCCS(=O)CC"]
["161829258","C=CC[NH2+]CP(=O)=O"]
["96548188","O[Si](O)(O)[Si]12[Si]3(O)[Si](O)(O)[Si]1(O)[Si]1(O)[Si]3(O)[Si]12O"]
["97085511","O[Si](O)(O)[Si]12[Si]3(O)[Si]1(O)[Si]32O"]
["163956845","O[Si](O)(O)O[Si](O)(O)O.[Y].[Y]"]
["79084502","[Lu+].[O-]O[Si](O)(O)O"]
["97394559","O[Si]1(O)[Si]2(O)[Si]1(O)[Si]1(O)[Si]3(O)[Si](O)(O)[Si]1(O)[Si]23O"]
["174419708","O[Si](O)(O)O[Si](O)(O)O.[Zn]"]
["78084568","OO[Si](O)(O)O.[Co]"]
["79273000","O[N]P[S]"]
["172761797","Cl.O[Si](O)(O)O[Si](O)(O)O"]
["102974358","C/C=C\\[C@@H](CC(C)C)[Si](C)(C)O"]
["96871101","C[Si](C)(C)[Si](C)([Si](C)(C)C)[Si](O)([Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)([Si](C)(C)C)[Si](C)(C)C"]
["53049187","O[Si](O)(O)O[Si-](O)([Si])=[Si+]"]
["46416600","N1=NNN(N2N=N[NH2+]NN2)N=N1"]
["182712587","CC(O)C(=O)CCNN1N=NN=NN1"]
["43612916","C1=NN=NNO1"]
["181784987","[N-]=[N+]=NNN1N=NN=NN1"]
["45687370","CN1N=NN=NN1"]
["185373903","N1=N[NH2+]NN1"]
["75781129","[c]1cccc(N2CN=NN2)c1"]
["60076598","Br.N#Cc1ccccc1CN1N=NN=NN1"]
["181936523","c1cc(N2N=NN=NN2)ccn1"]
["111187505","CC1CNCCN1c1nn(C(C)C)c(N)c1S(C)(=O)=O"]
["161662769","N1=NNON=N1"]
["163591628","CC(C)(C)N1NN=NC1O"]
["66880576","[CH+]=C1C(C)=C(C)[C-]2C(C)=C(C)C(C)=C(C)C2=C1C"]
["170525173","CC1=C(C)C(=[Si-](C)(C)C(C)(C)C)C(C)=C1C.CC1=C(C)C(=[Si-](C)(C)C(C)(C)C)C(C)=C1C.[Pb+2]"]
["167254985","C[C]1C(C)=C(C)C(C)=C1C.C[Ge](C)Cl"]
["193246351","CCC(C)(CC)C1=C(C)C2=C(C)C(C)=C=C(C)[C-]2C(C)=C1C.[CH-]1CCCCC1.[W+2]"]
["147661689","Bc1cc2c(C)ccc(C)c2o1"]
["73591305","Cc1cc(C)cc(C(C)(C)P)c1"]
["168519097","[CH+]=C1C=C(C)C=CC1"]
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["47642552","CC1=C(C)C(C)=C1C.[Al+3].[Cl-]"]
["167252330","C1=C\\C=C/C=C\\C=C/1.C[C]1C(C)=C(C)C(C)=C1C.[Er]"]
["180800329","CI=C1C[C-]1N"]
["180640053","Cc1cc(C)c(-c2ccc3sc4ccc(-c5cccc(-c6ccc7sc8ccc(-c9c(C)cc(C)cc9C)cc8c7c6)c5)cc4c3c2)c(C)c1"]
["176690467","[Si]1#[Si][Si+]=[Si-]2([Si]#[Si]1)[Si]#[Si][Si]#[Si]2"]
["91028476","[Si]1=[Si+][Si]#[Si]1"]
["56963332","CCCCCCCCCCCC(=O)[Si-]1(C)=[Si+][Si]#[Si][Si]#[Si]1"]
["55994599","[Si]1=[Si]=[Si]=[Si]([Si]2=[Si+][Si]#[Si][Si]#[Si]2)[Si-]=[Si]=1"]
["189979206","NC(CC(N)(N)N)[Si-]1(O)=[Si+][Si]#[Si]1"]
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["47014188","C[Si-]1(C)=[Si+][Si]#[Si][Si]#[Si]1"]
["62714933","C[Si-]1(C)=[Si+][Si]#[Si]1"]
["172237035","C=C[Si-]1(C)=[Si+][Si]#[Si]1"]
["67910688","C[Si-]1(C)=[Si+][Si]#[Si][Si]#[Si][Si]#[Si]1"]
["83055391","F[Si]1(F)[Si]#[Si][Si+]=[Si-](F)(F)[Si]1(F)F"]
["194308664","C1#[N+]C[N+]#CCC#[N+]C[N+]#CC1.N#CC1(C#N)C=CC=N1.[C-]1=CC[N-]C12[Cl+]C1([C-]=CC[N-]1)[Cl+]2"]
["58245610","N#CCCCCCCCCC1(c2ccc(O)cc2)C=CC=N1"]
["84067224","N#CC1(C=C(c2ccccc2)c2ccccc2)CC(c2ccccc2)(c2ccccc2)N=C1O"]
["174470073","O=CC1(C=C2C=CC(C=C3C=CC(C=C4C=CC=N4)=N3)=N2)C=CC=N1"]
["61064947","CC(C)CCN=C(C(C#N)C#N)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C=CC=N1"]
["174793089","C=CC1(N2CCCC2=O)C=CC=N1"]
["97363273","[C-]1=CC[CH]C12[C@H]1C[C@H]3C[C@@H]2C[C@@H](C1)C31C=CC=C1"]
["46184040","N=c1nc(C2(CCSSCCC3(c4nc(=N)[nH][nH]4)C=CC=N3)C=CC=N2)[nH][nH]1"]
["170435871","N#CC1(COc2ccc3c(Cl)nccc3c2)CCC1"]
["127469159","N#CC1(NC(=O)c2cc(Cl)ccn2)CC1"]
["83979954","N#CC1(C#N)C=CC=CC=C1"]
["61388135","O=C(O)CCC1(c2ccc(C(=O)O)cc2)C=CC=N1"]
["177918294","C=C(/C=C\\C=C/[CH+]C)/C=C(C(=O)O)\\C(N)=C/C"]
["195315938","C/C=C\\C(=O)C(N)C(N)N"]
["99086046","CCC=C(C=CC(=O)O)C=CC(=O)O"]
["179213489","C/C=C(N)\\C(=C\\c1ccc(Br)cc1)C(=O)OC"]
["161310019","C=C(c1ccc(OC)c(/C=C/C(=O)O)c1)c1cc(OC)c(OC)c(OC)c1"]
["173131648","C=CCNC(CC=C)=C(C)C(=O)O"]
["185420702","C=CC(=O)C(CC)C(C)=C(N)C(=O)O"]
["108472980","C/C=C/C=C\\C(=O)OCC(O)=Nc1sccc1C(N)=O"]
["175124147","C/C=C(C(=C/C)\\C(=O)O)/c1c2ccc(=N)cc-2oc2cc(N)ccc12.CC"]
["93096440","C/C=C/C=C/C(O)=NC1(C(=O)O)CCOCC1"]
["188621162","CCCCCCCCC/C(O)=C\\C=C\\C=C\\C=C\\C=C\\C(=O)O"]
["148601866","CCCCCCCCC/C=C\\C=C/C=C/C=C/C=C/C=C/C(=O)O"]
["170579763","CC(C)(C)[C@]12[P-][P@]3[C@]4(C(C)(C)C)[P@@]1[C@@]1(C(C)(C)C)[P@]4[C@]3(C(C)(C)C)[P@](Cl)[P@@]21"]
["176437448","CC(C)(C)S(=O)(=O)C1(Cl)CC(S(F)(F)(F)(F)F)C1"]
["97686860","CC(C)(C)C12BC3(C(C)(C)C)P1P23"]
["173821660","[B+]C1([O-])CC([B+])([B+])C2([B+])[B-](Cl)=C3CC=CC=C3C2([NH-])C1[O-]"]
["157942904","OC(=NC1CC(F)(F)C1)C(F)(F)Cl"]
["197339062","CC(C)(C)C12CC([B-](F)(F)F)(C1)C2.[K+]"]
["45394998","CC(=O)[P+]12C3(C(C)(C)C)P4C5(C(C)(C)C)P3C1(C(C)(C)C)P5C42C(C)(C)C"]
["158047585","CC(C)(C)C[C@]1(C)N=C(S)N=C1O"]
["164730524","CC(C)(C)C1=P[C@]2(C(C)(C)C)P3[P@@]4[P+](=O)C2(C(C)(C)C)[P@]1C34C(C)(C)C"]
["170228991","CC(F)C12CC(C(C)(C)C)(C1)C2"]
["170600424","CC(C)(C)C12P3C4(C(C)(C)C)P1[C@]1(C(C)(C)C)P[P@@]2[C@@]3(C(C)(C)C)P[P@]41.I[Ge]#I"]
["96909396","CC(C)(C)C12P3C([Si](C)(C)C)P4P1C1(C(C)(C)C)P2C2(C(C)(C)C)P3C4(C(C)(C)C)P12"]
["97355789","C1=C2C=c3cc4cc5c[b-]1c1cc5cc4cc3[CH+]B2C=1"]
["100297481","N=NC1=c2cc3ccccc3cc2=CC(=O)C1=O"]
["110892004","C1=[b-]2cc3cc4cc5c6cc4cc3cc2=CC(=C6)B1C5"]
["96924736","C1=[B-]2[CH+]c3cc4cc5c6cc4cc3C=C2C=C(C=6)B1C=5"]
["25209502","C1=c2cc3cc4cc5ccccc5cc4cc3cc2=COO1"]
["173893019","CCCOC(CC[Si](CC)(OC)OC)C1(C)C=c2cc3cc4cc5cc6cc7cc8ccccc8cc7cc6cc5cc4cc3cc2=CC1"]
["74966673","O=C1C=c2cc3cc4ccccc4cc3cc2=CC1"]
["96879189","O=C1C=Cc2cc3cc4cc5c(cc4cc3cc2=C1)C=CC(=O)C=5"]
["100254933","[Si-]=C=C=C1C=Cc2cc3cc4cc5ccccc5cc4cc3cc2[CH+]1"]
["182368627","N=C(O)c1cc2cc3cc(C(=N)O)c(C(=N)O)cc3cc2cc1C(=N)O"]
["173893011","CCC1(C(CC[Si](CC)(OC)OC)OC)C=c2cc3cc4cc5cc6cc7cc8ccccc8cc7cc6cc5cc4cc3cc2=CC1"]
["171545367","CC1=CC(C)=c2cc3cc4cc5c(cc4cc3cc21)=C(C)C=C5C"]
["173822321","PN1C[B+]CN2C[B+]C[N-][C-]12"]
["97607208","N[C-]1[CH-]C[B+]NC1"]
["44354437","S=[O+]OOn1[n-]oo[oH+]1"]
["75670588","CC1CN2CC(C)C12C(=O)OC(=O)C12C(C)CN1CC2C"]
["67684662","CCC1(C(=O)OC(=O)Cl)CC1"]
["176904244","PN1CCC/C1=C/Cl"]
["174118644","PN1CCC[B+]CCCN2CCC[B+]CCC[N-][C-]12"]
["173976212","CCC1OCC1(CC)COCC1(CC)COC1CC"]
["183850924","CCOC(=O)C1(C(=O)OCC)CCS[C@@H]2CC(=O)N21"]
["195974560","CO[S+](OC)C1C2C=CC(C2)C1S[OH+]C"]
["97793404","C=C1C2C([C@@H]3C=C[C@H]2C3)[C@@H](C)[C@@H]1CCCC"]
["102878383","CCOc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@@H]3C2)ccc1OC"]
["70345325","COCOCC1C=CC2CC(C)CCC2C1(C)CO"]
["151216803","COC(=O)c1ccccc1N=C(O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1C2"]
["109261286","C[C@H](CN=C(O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)N(C)C"]
["74597467","COC1=CC(C)C=CC1"]
["62983297","CCOc1cc(C=NN2C(=O)C3C4C=CC(C4)C3C2=O)c(Br)cc1OC(C)C(=O)OC"]
["74074074","CC(=O)C1C2C=C[C@H](C2)C1C(C)=O"]
["167320745","CC(=O)[C@@H]1[C@@H](C(O)=N[C@H](C)c2ccccc2)[C@H]2C=C[C@@H]1C2"]
["179309099","COC1=c2ccccc2=C(OC)C2CCCCC12"]
["104610998","COc1ccc(N=C(O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@H]2C3)cc1OC"]
["174127196","S=[P+]1SP2(=S)SP(=[SH+])(S1)S[P-](=S)(=S)S2"]
["170617638","S=P12S[As]3SP(=S)(S[As]3S1)S2"]
["91136209","S=P12SP3SP(=S)(S1)P(=S)(S3)S2"]
["161923880","S=P12SP(=S)(S1)SP1(=S)SP(=S)(S1)S2"]
["182722690","S=[P+]1SP(=S)(c2ccc(Cl)cc2)S1"]
["23224817","S=P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3"]
["193587992","S=P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3.S=P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3"]
["96979301","S=[P-]1(=S)SP(S)(=[SH+])[S+]=[S+]1"]
["181451990","CSc1ccc(P2(=S)S[P+](=S)S2)cc1"]
["174904671","O=P(O)(O)O.S=P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3"]
["193784223","S=P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3.[C-]#N"]
["191882562","S.S=P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3"]
["45006231","[3H]C#CCCCCC#CS(I)=P[3H]"]
["95345478","C#CCCCOc1ccc(OC)cc1CO"]
["174418184","C#CCCCBr.O"]
["93051552","C#CCCCCC(O)=Nc1ncccc1F"]
["34067705","CCCCCCC#CC(c1ccccc1)N(CC)CC"]
["101758668","C#CCCCCC#Cc1cn([C@H]2C[C@@H](C)[C@@H](CC)O2)c(=O)nc1O"]
["95484703","C#CCCCCNCc1occc1C"]
["113116442","C#CCCCN=c1ccc(=N)[nH][nH]1"]
["MCULE-6140036485","C#CCCCCCCC(O)=Nc1ccc(F)c(OC)c1"]
["64789048","C#CCCNCc1ccnc(OC)c1"]
["34083740","CCCCCC#Cc1c(F)c(F)c(C#CCCCCC)c(F)c1F"]
["158750224","CCCCC#CC(C)(C)C.[C-]#[O+].[Co]"]
["97813855","CC1=[N+]2C=[N+]([C+]1C)[B-](C)(C)[N+]1=C[N+](=C(C)[C+]1C)[B-](C)(C)[n+]1cn(c(C)c1C)[B-](C)(C)[n+]1cn(c(C)c1C)[B-](C)(C)n1c[n+](c(C)c1C)[B-](C)(C)[N+]1=C(C)[C+](C)[N+](=C1)[B-]2(C)C"]
["112819654","Cc1cnn(CCNS(=O)(=O)c2c(C)n(C)[nH]c2=N)c1"]
["87895084","Cc1c(C=O)[nH]c(-c2cn3[nH]ccc3n2)c1C=O"]
["96057248","Cc1c(S(=O)(=O)NCCc2ncn(C)n2)c(=N)[nH]n1C"]
["101120259","Cc1c(C)[n+](C(C)(C)CC(C)(C)C)cn1C(C)(C)CC(C)(C)C"]
["86768531","Cc1cc(=NN)c(C(O)=NC2CC2C)c[nH]1"]
["73903797","Cc1c(C)[n+](C)cn1C.[Cl-].[Cl-]"]
["162362135","Cn1c(Cl)cnc1-c1ncc(N)cn1"]
["341991","Cc1cc2c3cc(O)ccc3[nH+]c2c2cn(C)ccc12"]
["97563532","C[B-]1(C)n2cc[n+](c2)[B-](C)(C)[N+]2C=C[N+](=C2)[B-](C)(C)[N+]2=C[CH+][N+](=C2)[B-](C)(C)[N+]2=C[N+](=C[CH+]2)[B-](C)(C)[n+]2ccn1c2"]
["101407431","CC[n+]1cn(I)c(C)c1C"]
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["78367326","BrC(=[Br+])C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)[C-](Br)Br"]
["26359064","BrC(Br)=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1"]
["161677692","CCCCCCCCCCCCCCCCC(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(=O)O"]
["148818703","[O]C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(C(Br)(Br)Br)(C(Br)(Br)Br)C(Br)(Br)Br"]
["161750856","CCCCCCCCCCCCCCC(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(=O)O"]
["98220927","O=C(O)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)Br"]
["175888385","BrC(=CC(Br)(Br)Br)C(Br)(Br)Br"]
["79141635","O=C(OBr)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)C(Br)Br"]
["79318681","C=C(Br)[C-]([O-])Br.O.[Mg+2]"]
["151977764","FC(F)(F)/C(Br)=C/c1ccc(/C=C(\\Br)C(F)(F)F)cc1"]
["78306424","OC(Br)(Br)C(O)(Br)C(Br)(Br)OBr"]
["26255335","CC=C(Br)C(Br)(Br)Br"]
["101758893","CC1CSSC23CC1C1CSSCC(C)C(CSS2)C1C3"]
["180489484","C[C@@H]1CC1C1C2C3CCC21C3"]
["158008343","C[C@@H]1C[C@H](NC2CC(C)(C)C2)CS1"]
["180125305","CC1CC2CC3CCC1C(C)C32C"]
["159162395","C[C@@H]1C[C@](O)(C[C@H]2CO2)[C@H]1C"]
["166803452","CCN=C(O)N(CC)C1CCSSC1"]
["163060749","CC1COCC(C)N1/C=C/C(=O)O"]
["157935257","C[C@H]1CCC[C@H]1NC1CC(C)(C)C1"]
["178410298","CC1CC1C1CCC2(C1)CC2C(C)CI"]
["69521812","CC1CC(I)C2CC1C(=O)O2"]
["178473473","CC1CC(C)(C)CC1[I-]I"]
["196863780","CC(C)(C)CCOC1OCC2(CO1)COC(OCC(C)(C)C)OC2"]
["184119597","C[Si+]=c1[cH+]c(=[Si-]C)cc(C2=C3C=C(C)P=C3C(C)=C2)[cH-]1"]
["120191342","CC(C)(C)n1c(CBr)nnc1-c1cc(Br)cc(Br)c1"]
["180404509","C[Si-]=C1C=C(C)[CH+]C=C1C"]
["185859818","CC1=CC2=C(c3ccccn3)C=C(C)C2=P1"]
["54081248","CCOC(O)=N/N=C(/C)c1cc(C)c(C)cc1C"]
["176153663","C[Si-]=C1C=C(C(C)C)[CH+]C(C(C)C)=C1"]
["114873862","Cn1c(CO)nnc1-c1cc(Br)cc(Br)c1"]
["29701416","Cc1ncc(-c2cc(Br)cc(Br)c2)cn1"]
["120190342","CC(C)(C)n1c(S)nnc1-c1cc(Br)cc(Br)c1"]
["171155710","CCN(CC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)cc(Cl)cc12"]
["75215394","Cc1cc(C)c(CCl)c(C)c1.O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1"]
["174501773","Cc1oc(CCCCC(=O)O)cc1CO"]
["101235834","O=BOB1OC2=C(OB=O)C3OB(OB=O)OC3=C2O1"]
["78526953","O=BOc1ccc(OB=O)cc1"]
["104895446","CC(=N)S[C@@H]1OC(=O)C(OC(C)=O)=C1C"]
["171340190","Cc1ccoc1OB=O"]
["170889012","O=CC=COB1OC(=O)C(=O)O1"]
["184086214","COB1CCC(OC)C(=O)O1"]
["63952454","CC(=N)SC1OC(=O)C(OC(C)=O)=C1C"]
["184128137","O=BOC1=C[CH][N-]C=C1"]
["161951125","CCC(C)OC(=O)C1OB(OC(=O)C(=O)OC)OC1=O"]
["180689319","O=CC(=O)OB1OC(=O)C(=O)O1"]
["184117658","O=BOC1=C[N-][CH]C=C1"]
["51030234","Cc1ccc(-c2ccccc2OB=O)cc1"]
["145646071","[SiH3][SiH2][SiH2][SiH2][SiH2][SiH2][SiH]([SiH3])[SiH3]"]
["182777398","C[SiH](C)[SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH3]"]
["183794889","C=C[SiH2][SiH2][SiH]([SiH3])C=C"]
["97927639","[SiH3][SiH2][SiH2][SiH2][SiH2][SiH]([SiH3])[SiH3]"]
["181876735","[N-]=[N+]=N[SiH2][SiH2][SiH2][SiH2][SiH3]"]
["25527798","C[SiH](O)[SiH2][SiH3]"]
["101818229","CC(C)N(C(C)C)[SiH]([SiH2][SiH2][SiH3])N(C(C)C)C(C)C"]
["193018402","C1=[SiH]NOc2ccccc21.[SiH3][SiH2][SiH2][SiH2][SiH2][SiH3]"]
["97927556","[SiH3][SiH]([SiH3])[SiH]([SiH3])[Si]([SiH3])([SiH3])[SiH3]"]
["162262849","CC[SiH2][SiH2][SiH3].O[SiH3]"]
["185387445","CC[SiH2][SiH2][SiH2][SiH3]"]
["174830362","[SiH3][SiH2][SiH2][SiH2]Oc1ccccc1"]
["81491217","C[O+]=[Si]=[Si]([O-])[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si]([O-])=[Si](C)[O+]=[Si]C"]
["60892863","C[SiH](C)O[Si](C)(C)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si]([O-])=[Si]=[O+][SiH](C)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si]([O-])=[Si]=[O+][SiH](C)C"]
["59034818","C[SiH]([O+]=[Si]=[Si]([O-])[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](C)(CCC(F)(F)F)C(C)(C)C)[Si-]([O+]=[Si-]O)([Si]O)=[Si+]O"]
["52599900","C[O+]=[Si]=[Si]([O-])[Si](C)(C)C"]
["45170043","CO[Si](OC)(OC)[O+]=[Si]=[Si]([O-])[Si](=O)[Si](C)(C)C"]
["49984009","O=[Si]([O-])O[Si-][O+]=[Si-]"]
["168648492","C[Si](C)=O.C[Si]=O"]
["65088591","C[Si](C)(C)O[Si](O[Si](=O)[Si]([O-])=[Si]=[O+][Si](C)(C)O[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si]([O-])=[Si]=[O+][Si](C)(C)C)(c1ccccc1)c1ccccc1"]
["91582433","C[Si](=O)[O+]=[Si-]"]
["99722153","COCCOCCOCCOCCOCCOCCOCCOCCC[Si](C)([O+]=[Si]=[Si]([O-])[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](C)(C)C(C)(C)C)[Si-]([O+]=[Si-]O)([Si]O)=[Si+]O"]
["57359349","C[Si](=O)[Si](=O)[Si](C)(C)C"]
["46300634","C[O+]=[Si]=[Si]([O-])OC(O[Si]([O-])=[Si][O+]=[Si-]O)[Si-]=[O+][Si+][O+]=[Si-]O"]
["149893978","[N]=C=c1ccc(=Bc2ccc(C#N)cc2)cc1"]
["6167875","COCCCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1"]
["140859101","CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1cc(C#N)ccc1Cl"]
["12468101","N#Cc1ccc(C(O)=Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1"]
["187452233","CO/C=C(/C)Oc1cc(COc2ccc(C#N)cc2)ccc1C"]
["100354337","N#Cc1ccc(CCCCCCCCCc2ccc(C#N)cc2)cc1"]
["130546060","Cc1[nH]nc2ncc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc12"]
["94149603","COc1cc(C#N)ccc1N=C(O)CCC(C)OC"]
["MCULE-1461696929","CCc1ccc(-c2cc(CC(O)=NCc3ccc(C#N)cc3)ccc2OC)cc1"]
["163295698","N#Cc1ccc(-n2cc(Cl)cn2)c(O)c1"]
["10006437","CN(Cc1ccncc1)S(=O)(=O)c1cccc(C#N)c1"]
["164620015","N#CC(C#N)=C1c2cc(-c3ccc(C#N)cc3)ccc2-c2c1sc1c2-c2ccc(-c3ccc(C#N)cc3)cc2C1=C(C#N)C#N"]
["184483396","Pc1cc(P)c2c(c1)C[I+]N1C[C-]=CC=C21"]
["164215679","Fc1cc(-c2ccc(-c3ccc(P)cc3)cc2)ccc1P"]
["186266469","CCOC(=O)[C@@H](C)[B+]N1C[C-]=CC=C1C"]
["20226099","C[NH+](C)CC[NH+]=C(O)CN1CCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1"]
["174549929","CCC12[I+]C1(CC)N1C[C-]=CC=C1c1cc(B3OC(C)(C)C(C)(C)O3)ccc12"]
["179978921","CCC12[I+][C@]1(CC)N1C[C-]=CC=C1c1c(F)cc(F)cc12"]
["5975520","Cc1cc(=O)oc2cc(OC(=O)[C@H]3CC(=O)N(C(C)C)C3)c(Cl)cc12"]
["155895052","C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@H](F)C#N)N1"]
["195802881","CCC[C@@H](c1nc2cc(Cl)c(Cl)cc2c(=O)n1CC)N1CCC[C@@H](C)C1"]
["100305256","COc1cc(N=[N+]=c2ccn(C)s2)c(Cl)cc1C"]
["129352710","O=C(c1cncc(F)c1)N1CCc2c(Cl)cc(Cl)cc2C1"]
["180333624","Fc1cc(F)c2c(c1)C[I+]N1C[C-]=CC=C21"]
["174097962","[B]C1(C2=[C-]C[CH-]C(C3=[C-][N-]C([C-]4[CH-]CCC[CH-]4)=[C-][CH-]3)=[C-]2)C([B+])([B+])C([B+])([B+])C([B+])([B+])C([B+])([B+])C1([B+])[B+]"]
["175632346","[B]C1(C([B+])([B+])c2c[n-][c-](F)[cH-][cH-]2)C([O-])N(c2cc(C3=[C-]C[N-][C-]=C3)[nH]n2)C([B+])([B+])C([B+])([B+])C1([B+])[B+]"]
["175631065","[B][C@]1(C([B+])([B+])c2c[n-][c-](Cl)[cH-][cH-]2)C([O-])N(c2cc(C3=[C-]C[N-][C-]=C3)[nH]n2)C([B+])([B+])C([B+])([B+])C1([B+])[B+]"]
["173729297","[B+]C1([B+])C2=[C-]C[N-][C-]=C2C([B+])([B+])N1C(=O)[N-]CC1CC12CCN(C(=O)C1=C(C)NC(C)O1)CC2"]
["174118021","[B+]C([B+])([O-])C([B+])([B+])[c-]1[n-]c2c[cH-][cH-]cc-2n1-c1ccc(-c2ccc(-c3c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4c(C4=[C-][CH-][CH-]C([C-]5[CH-]CCC[CH-]5)=[C-]4)c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c34)cc2)cc1"]
["173801270","[B+]C1([B+])OC([B+])([B+])C([B+])([B+])N(C(=O)N=C2[C-]=C3[CH-][C-](C4=[C-][N-][C-](C)N4C)CC[C-]3[N-]N2)C1([B+])[B+]"]
["173749623","[B]C1([B+])CC(F)(C([B+])([B+])NC=C2[CH-][CH-][C-](C([B+])([B+])[B+])[CH-][N-]2)C([B+])([B+])C([B+])([B+])N1C([O-])[c-]1[cH-][cH-]c(F)c(Cl)[cH-]1"]
["174113676","[B+]=C1[C-]=C(C2=[C-]CC[CH-]C2=[B+])[CH-][C-]=C1C1=[C-]C(=[B+])C(n2c3c(c4c(=[B+])c(-c5cc(=[B+])c6c(c7c(n6[C-]6[CH-]CCC[CH-]6)C(=[B+])[CH-]C(=[B+])C7=[B+])c5=[B+])cc(=[B+])c42)C(=[B+])C(=[B+])[CH-]C3=[B+])=[C-][CH-]1"]
["173863550","[B]C1(C2=[C-][CH-][C-](C3=[C-][N-]C([C-]4[CH-]CCCC4)=[C-][CH-]3)C=[C-]2)C([B+])([B+])C([B+])([B+])C([B+])([B+])C([B+])([B+])C1([B+])[B+]"]
["64813908","[C-]1=C(SCCCCCCSC2=[C-]CC[CH-]2)[CH-][CH-][CH-]1.[Fe]"]
["173801211","[B+]C1([B+])OC([B+])([B+])C([B+])([B+])N(C(=O)N=c2[n-][c-]3[c-]([cH-][nH]2)[CH-]CC(C2=[C-][N-][C-](C)N2C)=C3)C1([B+])[B+]"]
["21645336","[B+]=[O+][C-]1[CH-]CCC1"]
["174788732","[OH+]=C/C=C(\\N=[C-]N1CCO[C@@H]2C[OH+]C[C@H]21)c1cc[nH+]cc1F"]
["104337868","CCOc1cc2c(cc1OCC)[C@@H](CC(=O)O)N(C(O)=Nc1ccc(C)c(F)c1)CC2"]
["174210888","CN1C(C2CCCCC2)CN(c2csc(Cl)c2)c2cc(Cl)c(-c3ccc(F)c(C(=O)O)c3)cc2S1(O)O"]
["127943376","O=C(CC1COCCN1C(=O)CC=Cc1ccccc1F)c1ccco1"]
["136536904","COc1cccc(C2CN(C(O)=NCCc3ccccc3F)CCO2)c1"]
["59007240","C=C[C@]1(c2ccc(F)c(F)c2)CN(Cc2ccccc2)CCO1"]
["174004932","CCC1=CC=C(C(N)=O)CC1(CC1C2CN(Cc3ccc(CC)cc3)CC21)c1ccc(N2CCOCC2)c(F)c1"]
["19936125","Cc1noc(C2CCN(C(O)=NCc3ccc(-n4cc[nH+]c4C)c(F)c3)CC2)n1"]
["149051654","CCOc1nn(C2CCN(C(O)=NC3CCOCC3)CC2)c2ccc(C)cc12"]
["MCULE-1823008005","OC(CN1Cc2ccccc2C1)=NCC1CN(Cc2ccncc2F)CCO1"]
["17017863","C[C@@H](C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccc2c(c1)OCCO2"]
["116467418","CN=C(NCC(c1ccc(F)cc1)N1CCOCC1)N1CCOC(c2cnn(C)c2)C1"]
["61629575","OCCSCCOO/C=N/CSCCSCN=C(O)SCSCCSCOO/C=N\\CSCCSCN=C(O)OCCSCCO"]
["42773488","CCSCCN=CS(=O)CCSCSCCSC(O)=NCCSCSCCN=COOCSCSCO"]
["54099336","CCSCSCOOCCSCSCSCSCC(=O)OCCSCSCO"]
["70089494","O=S(C=NCSCSCN=C(O)SCSCSCSCS(=O)C=NCSCSCN=C(O)SCSCO)CSCO"]
["55396971","O=S(/C=N\\CSCSCSCSCN=C(O)SCSCSCSCSCS(=O)/C=N\\CS)CSCSCO"]
["91455881","CCSCCSCCOC(=O)CCCCC(=O)O"]
["189261084","CCSCN=C(O)OCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12"]
["67253414","CSCSCSCSC(=O)CSCSCSCSCCOOCCSCCO"]
["81309560","COC(=O)C(COC(C)(C)C)N=C(O)C(CSCCO)N=C(O)OC(C)(C)C"]
["170219060","CN(CCSCCO)c1cc(=O)c2scc(Br)c2o1"]
["199996297","CCC(CC)OC[C@H]1OC[C@H](OCCCSCCN=C(O)CS[C@@H](O)C2C(O)C(CO)[C@@H](O)C2O)[C@@H](O)[C@@H]1O"]
["78418053","CSCC/N=C/S(=O)CCSCSCSCCSC(O)=NCCSCSCSCC/N=C/OOCCO"]
["175671951","[152Tm]"]
["76927061","[As+3].[As+3]"]
["48357938","[As+3].[Cr+2].[Cu+]"]
["59152819","[As+3].[Co+2]"]
["51066056","[Al+3].[As+3].[In+3]"]
["67108561","[As+3].[Pd+2]"]
["42765917","N.[As+3]"]
["67165507","[As+3].[Mg+2]"]
["52898669","[As+3].[Ga+3].[Y+3]"]
["61532758","[As+3].[Y+3]"]
["97342673","C=C[GeH2]"]
["42395414","[As+3].[Mn+2]"]
["27309555","[60Cu]"]
["79873094","[60Cd]"]
["78987508","[3SH2]"]
["96664159","[C+3]"]
["79806967","[Bi].[Cr].[Cu]"]
["172790200","[Cr].[Cu].[K+]"]
["158771308","N.NN.[Cu]"]
["159244773","[Ca+2].[Cu].[Sn]"]
["78543369","[Au].[Cu].[Cu]"]
["79014272","[Ag].[Co].[Cu]"]
["185386250","[Au].[Cu].[Fe]"]
["194017810","[Cu].[NH2-].[Na+]"]
["185384105","[Cu].[Fe].[Ti]"]
["79147090","P.[Cu].[Pb]"]
["79519483","[Au].[Cu].[S]"]
["175671090","[53K+]"]
["79681878","[145Fe]"]
["100441036","[113AsH3]"]
["175671530","[111Pd]"]
["79304589","[OH-].[OH-].[Se+2]"]
["79598170","[Cl-].[Cl-].[Se+2]"]
["79078833","[SH-].[SH-].[Se+2]"]
["170200031","B[CH]B.Br.[Zn]"]
["185021928","[21CH3]I"]
["27202640","[Se+2]"]
["79080868","[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Se+2]"]
["78052671","[I-].[I-].[Se+2]"]
["170200028","B[CH]B.[Li+]"]
["79836061","[XeH]"]
["103044935","[Br-].[C]#C.[Zn]"]
["110920877","[Be].[C]#C.[HH]"]
["33449682","[120IH]"]
["170924496","[Ba+2].[C-]#C.[C-]#C"]
["64490222","[C-]#C.[C-]#C.[Cu+2]"]
["187460136","[C]#C.[Ru]"]
["161714240","[C-]#C.[Fe]"]
["1097797","[C-]#C.[Na+]"]
["62934013","[C]#C.[Sn]"]
["78320277","[Al].[C-]#C.[Li+]"]
["96774067","[C-]C#C"]
["100906279","[SiH3]B1CCB([SiH3])[Si]1=[Si]=[Si]1B([SiH3])CCB1[SiH3]"]
["68429074","FB1CCC1"]
["100906280","C[Si](C)(C)B1CCB([Si](C)(C)C)[Si]1=[Si]=[Si]1B([Si](C)(C)C)CCB1[Si](C)(C)C"]
["56540277","CNP1OCCCO1"]
["50071713","CN1B(Cl)CCCB1Cl"]
["100906276","[SiH3]C1([SiH3])CCC([SiH3])([SiH3])[Si]1=[Si]=[Si]1C([SiH3])([SiH3])CCC1([SiH3])[SiH3]"]
["53572528","CN1B(Cl)CCB(Cl)N1C"]
["168501019","[Si+]=[B-]1CC[B-](=[Si+])[Si]1=[Si]=[Si]1[B-](=[Si+])CC[B-]1=[Si+]"]
["100906278","C1CC[Si](=[Si]=[Si]2CCCC2)C1"]
["97163107","CN1B(Cl)CCB1Cl"]
["96979758","FB1CCB(F)CCB(F)CC1"]
["97203254","B1OCOB[Si]1=[Si]=[Si]1BOCOB1"]
["32311377","[72Ga]"]
["33509289","[64Ni]"]
["175763613","NB=[Se]"]
["52992651","[130Sb]"]
["24340084","[Re+4].[S-2].[S-2]"]
["57460042","[136Xe]"]
["79289125","[103SH2]"]
["23604346","[Re+4].[SiH2-2].[SiH2-2]"]
["33106089","[O-2].[O-2].[Re+4]"]
["175671144","[61Zn]"]
["79085196","[40He]"]
["32590350","[Re+4].[Se-2].[Se-2]"]
["175672010","[158Pr]"]
["79595066","[Re+4].[Te-2].[Te-2]"]
["32709320","[Re+4]"]
["79873146","[108V]"]
["175671053","[46S]"]
["57633248","[105Pd]"]
["174390948","[111TeH2]"]
["161107450","IP(I)I.[Se]"]
["27306190","[52Mn]"]
["167224245","C[Te]Br"]
["191546985","IP(I)I.P"]
["79916540","PP(P)P.[Ca+2].[Ca+2]"]
["24495953","IP(I)I"]
["102970753","P[Se-]"]
["173108220","IP(I)I.[Cs+].[H-]"]
["191139897","PP(P)P.PP(P)P"]
["91173013","SP(S)I"]
["173459646","[Se-]I"]
["78094968","[3Nb]"]
["79635416","[3Nb].[Sn]"]
["175671918","[149Er]"]
["79194427","[117Pb]"]
["79634364","[3Nb].[Al]"]
["79091435","[20SH2]"]
["196474276","[3H]P([S])[S]"]
["175671531","[111Sb]"]
["45657484","[121Xe]"]
["34001280","[115Cd]"]
["187985219","[62SH2]"]
["100313559","[Si-]=CC=[O+][CH+]C=[Si-]"]
["174944380","CC=C(C)O.Cl.Cl"]
["171631404","CCCCN(CCCC)C([O+]=CC=[Si-])N(CCCC)CCCC"]
["64973770","[Si-]=CC#[S+]"]
["51414109","[Si-]=C[CH+]C(Cl)Cl"]
["161688862","[Si+]=CC=CC=[Si-]"]
["168460044","[Si+]=C[CH+]C=[Si-]"]
["83055288","[Si]=[O+]C=[Si-]"]
["172325653","CCCCC[O+]=CC=[Si-]"]
["161800709","CC([CH+]C=[Si-])C(C)(C)O"]
["171854330","CC(C)(C)[Si](C)(C)N(C([CH+]C=[Si-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C"]
["161764265","O=C(Cl)[CH+]C=[Si-]"]
["62927373","[144Pm]"]
["190371551","[99Tc+4].[CH2]"]
["34511927","[99Tc+4].[S-2].[S-2]"]
["163730796","[99Tc+4]"]
["62637768","[O].[Tc+4]"]
["175671374","[92Ru]"]
["34659035","[O-2].[O-2].[Tc+4]"]
["33392945","[99Tc+4].[O-2].[O-2]"]
["69521717","[S-2].[S-2].[Tc+4]"]
["68248304","[99Tc+4].[O]"]
["175671684","[126In]"]
["33806825","[Tc+4]"]
["27305871","[110Sn]"]
["79602867","[Br-].[Sc+]"]
["100752314","[OH-].[Sc+]"]
["78860663","[50CH4]"]
["185917803","N.[F-].[Sc+]"]
["79031029","[SiH3][SiH]([SiH3])[SiH3]"]
["173793871","NN.[SiH3][SiH]([SiH3])[SiH3]"]
["101705196","C=[SH+].[CH3-]"]
["79175473","[7Co]"]
["79168406","O.[Br-].[Sc+]"]
["79722690","[Cl-].[Sc+]"]
["78208749","I.[I-].[Sc+]"]
["79835821","[245Pb]"]
["59480399","PPP.[Zn]"]
["68577771","P.PPP.[U]"]
["51071959","PPP.[Y]"]
["79185522","[1Ne]"]
["172928575","PPP.[V].[V]"]
["81482874","PPP.[Mo]"]
["175672638","[257Db]"]
["173532438","PPP.[Ru]"]
["200306371","PPP.[O].[Zn]"]
["78704483","[95NH3]"]
["1103049","PPP"]
["69671544","[13OH2]"]
["173396","[123I-].[Na+]"]
["175671380","[93Sr]"]
["73938","[123I-]"]
["44435272","[123I-].[I-].[Na+]"]
["34461370","[123I-].[K+]"]
["65122865","O[14C+][14C@@H](O)[14C@H](O)[14C@@H](O)[14C@H](O)[14C-]O"]
["145463714","BOOOOOP"]
["161430255","C1=NCCS1.c1cscn1"]
["161880374","[Si+]=[si]1cccc[si]1=[Si-]"]
["52011780","c1cc[si](C[si]2ccccc2)cc1"]
["171054380","O[si]1ccccc1.O[si]1ccccc1.[Zn]"]
["175910627","O=C(O)[si]1cccc[siH]1"]
["91376191","c1cc[si]2ccccc2c1"]
["168518178","[Si+]=[Si]1[Si](=[Si+])[Si]1=[Si-]"]
["173651800","C=C[si]1ccccn1"]
["49516774","CCC(C)CC(=O)c1ccccc1"]
["175702390","CCO[si]1ccccc1"]
["92237727","CCC(C)CC(=O)c1c(OC)cccc1OC"]
["181310857","C[si]1ccccn1"]
["48694060","CCC(C)CC(=O)c1ncccn1"]
["79772256","[98O]"]
["175672031","[159Ta]"]
["175671759","[133Ce]"]
["78066879","[2H][I]P"]
["83229268","[73AsH3]"]
["49449608","[NH]P"]
["79301136","[158Ni]"]
["175671223","[74Fe]"]
["1096438","[La+2]"]
["47602290","O.[O-][Cl+3]([O-])([O-])[O-]"]
["193502392","[Cl-].[Fe+2].[O-][Cl+3]([O-])([O-])[O-]"]
["157913162","[Ce+3].[O-2].[O-][Cl+3]([O-])([O-])[O-]"]
["79855921","[I+].[O-][Cl+3]([O-])([O-])[O-]"]
["22962137","[Ag+].[O-][Cl+3]([O-])([O-])[O-]"]
["78960477","C[SiH3].[Cr]"]
["22828335","[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Sr+2]"]
["192721704","I.[Na+].[O-][Cl+3]([O-])([O-])[O-]"]
["175183235","C[SiH3].[Cr].[Mn]"]
["79182192","C[SiH3].[Ba]"]
["175390126","C[SiH3].[Nb]"]
["168133126","[B]1CCB=[Si]1[Si-]=[Si]1[B]CC[B+]1"]
["91427528","[CH2-]C1=BC[B+]1"]
["168483211","[B]1NCNB=[Si]1[Si-]=[Si]1[B]NCN[B+]1"]
["168483210","[B]1OCOB=[Si]1[Si-]=[Si]1[B]OCO[B+]1"]
["179435666","C[I+][C@H](I)C1C=[C-]C(N(C)C)=[C-]C1"]
["180942569","CSNC1=[C-]CC([C@H](I)[I+]C)C=[C-]1"]
["175672412","[209Fr]"]
["78161615","CP.[Cl-].[Cl-]"]
["79409778","BP.[Fe]"]
["79383809","BP.[Mn]"]
["145346493","CP.O"]
["175423636","CP.[Fe].[Fe]"]
["57731855","CP.[O].[Ti]"]
["79942038","[Li+].[SiH3]P"]
["159174900","CP.Cl.[Au+]"]
["78142479","[Ar].[SiH3]P"]
["174725553","[Mo].[NH-]P.[V]"]
["47450568","CP.I"]
["79524667","[106Ni]"]
["96565454","[C+2]"]
["79764130","[100W]"]
["32938031","[Cu+3].[Cu+].[O-2]"]
["661824","[Cu+3].[OH-]"]
["635463","[Cu+3]"]
["33563810","[As+]"]
["175921131","[As+].[U]"]
["53739832","[As+].[Cl-]"]
["79112545","[11Mo]"]
["44262409","COC1C2C3C4C1C15C6C(=[N+]=[N-])C(=[OH+])C7C8C6C6C(=[N+]=[N-])C(=[OH+])C8C8(C3C(OC)C4C681)C725"]
["181726580","CC1=c2c(oc3ccccc23)=CC(C)(C)C1N=[N+]=[N-]"]
["25405870","COC1(N=NC2(OC)CC(C)CC(C)(C)C2)CC(C)CC(C)(C)C1"]
["63703267","C=CCC1(C)C2C=CC1(C)C(=[OH+])C(=[N+]=[N-])C2"]
["156323948","COC1CCCC(O)(C(C)C(C)C)C1"]
["178801757","CCC1C(Cl)C(OC2C(Cl)C(Cl)C(OC)C(Cl)C2Cl)C(Cl)C(Cl)C1OC"]
["159214674","COC1(c2nc(Cl)no2)CCCC1"]
["167359959","COC1CC(C)(C)N(C(C)C)C1=O"]
["188705810","CO[C@H]1C2C[C@@H]3CN(C(C)C)[C@H]1[C@H]23"]
["162795612","CO[C@H]1[C@H](N=[N+]=[N-])[C@@H](C)OC(O)[C@@H]1O"]
["181917531","COC1C(N=[N+]=[N-])CCOC1(F)c1ccccc1"]
["184041888","COC1CCCC(N=[N+]=[N-])(OC(C)=O)C1"]
["175671174","[66Mn]"]
["193825716","S=[Se].[NH4+]"]
["191955780","S=[Se].[Se]"]
["175961046","S=[Se].[Sb].[Sb]"]
["175572595","C.S=[Se].[V]"]
["190405255","S=[Se].[Ag].[Cd]"]
["78972262","S=[Se].[Cd]"]
["157159168","S=[Se].[Ge]"]
["175333215","S=[Se].[Hf]"]
["79091804","S=[Se].[Hg]"]
["78746788","S=[Se].[Cd].[Zn]"]
["172730788","P.S=[Se].[Ca+2]"]
["175671388","[94Rh]"]
["194317151","C.C.[3H]C"]
["49283231","[3H]C"]
["200448435","C.[3H]C"]
["194317150","[3H]C.[3H]C.[3H]C"]
["190640616","[3H]C.[3H]C"]
["33422610","[3H][13CH3]"]
["49915616","B12[Si]3=[Si]4[Si]5[Si](=[Si]14)[Si]1=[Si]5[Si]3=[Si]21"]
["96689418","CC(C)N(B1OCC/C1=C\\C#N)C(C)C"]
["100926328","CC[C]=C1CCOB1N(C(C)C)C(C)C"]
["73773870","N#CNc1ccc(/N=N/c2ccc(NC#N)cc2)cc1"]
["58640777","N#CCS(=O)(=O)Nc1c(Br)cc(N)cc1Br"]
["170523566","CCC=C1CCOB1N(C(C)C)C(C)C"]
["66595572","B12[Si]3=[Si]4[Si]5[Si](=[Si]14)[Si]2=[Si]53"]
["73919856","N#CNc1ccc(S(=O)(=O)c2ccc(NC#N)cc2)cc1"]
["174453200","O.[B]1CCCO1"]
["185628721","N#CNc1ccc([As](=O)(O)O)cc1"]
["88100748","CNCc1conc1C"]
["58986253","B12[Si]3=[Si]1[Si]1=[Si]2[Si]31"]
["171739270","O=C(O)C1CCC(O)CC1C(O)=NC1CCC(OC2CCC(NC3CC(O)CCC3COO)CC2)CC1"]
["32742381","OC(=N[C@H]1CC[C@H](O)CC1)[C@@H]1O[C@H]1c1ccccc1"]
["17001626","CCOC(O)=N[C@@H]1CCCN(CC(=O)OC)C1"]
["148399215","COCC(COC)N=C(O)N1C[C@@H](C(F)(F)F)[C@H](C(=O)O)C1"]
["61431974","C[C@H](OC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(O)=NC1CC1"]
["112735361","CCOC1CC(NC(C)C(C)C(=O)O)C1"]
["139056418","COc1cccc(CN2CCCC2C(O)=NC2CC2)c1O"]
["94578757","C=C(COC1CCC(C)(C)CC1)C(=O)O"]
["140328806","CCC1CCCC(N=C(O)Nc2cc(OC)ncn2)C1"]
["186614319","N#Cc1ncc(OC2CCC(N=C(O)c3cncnn3)CC2)cc1Br"]
["116030689","CCC(C)N=C(O)C1CCC(C(O)=NC2CC2)CC1"]
["14346450","CCN(CC)C(=O)CN=C(O)[C@H]1COCCO1"]
["175671150","[62Fe]"]
["83234231","[69AsH3]"]
["32414290","[147Eu]"]
["91552957","C=[Se+]"]
["175971228","C=C=C.[Ir]"]
["79585409","C=C=C.C=C=C.[Ru]"]
["158509361","C=C=C.NN"]
["181809770","[Ba].[C]=C"]
["96529913","C=N.[Sn]"]
["66505933","[C]=C"]
["97271312","[C]=C.[Sn]"]
["176676702","[C]=C.[Os]"]
["58038370","C=C=C.[Fe]"]
["78551065","IS(I)(I)(I)(I)I"]
["175671699","[128Pd]"]
["23152128","[15N]=[18O]"]
["52031169","[141Sm]"]
["78407873","[NH]P[S]"]
["34626229","[Pr+4]"]
["78445018","S=[Te].[Pb]"]
["78449146","S=[Te]"]
["79318282","S=[Te].[Cd]"]
["175348875","S=[Te].[Ni]"]
["175415794","S=[Te].[Mo]"]
["176021758","S=[Te].[Hg]"]
["175780379","S=[Te].[Li+]"]
["176021760","S=[Te].[Cd].[Hg]"]
["79717195","[124S]"]
["175327741","S=[Te].S=[Te]"]
["176021757","S=[Te].[Hg].[Zn]"]
["78553448","[SiH2]1[SiH2][SiH2]B([SiH2]B2[SiH2][SiH2][SiH2][SiH2]2)[SiH2][SiH2]1"]
["62419964","[OH+]1[SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["79227810","[SiH]1[SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["58053982","O1[SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["185136371","N1[SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["79227026","[SiH]1[SiH2][SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["182435849","[SiH2]1[SiH2][SiH2]P[SiH2][SiH2]1"]
["79035898","B1[SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["185356949","[B]1[SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["53394245","C1CC(PC2CC2)C1"]
["190575976","[B]1[SiH2][SiH2]B([SiH2]B2[SiH2][SiH2][SiH2][SiH2]2)[SiH2][SiH2]1"]
["78553450","[SiH2]1[SiH2][SiH2]B([SiH2]B2[SiH2][SiH2][SiH2][SiH2]2)[SiH2]1"]
["1104562","[35S]"]
["175671389","[94Pd]"]
["79058045","[123Si]"]
["168631180","N1=[Si]=N[S+]=[N+]=[Si]=NS1"]
["26169198","C1=NCC2CSCC2C1"]
["78545145","C1#SOC=N1"]
["91451970","N1=[Si]SN=[S+]1"]
["93740285","COc1cnn(C)c1CCC(C)=O"]
["76239876","[1CH3][1N]([1C](=[1O])[1c]1[1cH][1cH][1n]([1C](=[1O])[1O][1C]([1CH3])([1CH3])[1CH3])[1cH]1)[1c]1[1cH][1cH][1cH][1cH][1c]1I"]
["76239901","[1CH3][1C]([1CH3])([1CH3])[1O][1C](=[1O])[1N]1[1CH2][1CH2][1C]2([1CH2][1CH2]1)[1O][1c]1[1cH][1cH][1c](Br)[1cH][1c]1[1C]2([1OH])[1C]#[1C][1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239716","[1CH3][1C]([1CH3])([1CH3])[1O][1C](=[1O])[1C]1=[1N][1c]2[1cH][1c](Br)[1cH][1cH][1c]2[1O][1C]12[1CH2][1CH2]2"]
["76239787","[1CH3][1CH]([1OH])[1CH2][1C@@H]1[1C](=[1O])[1O][1C@@H]([1C]([1CH3])([1CH3])[1CH3])[1N]1[1C](=[1O])[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["69491933","[1CH3][1C](=[1O])[1CH2][1C]([1CH3])([1CH3])[1CH2]/[1C](=[1CH]/[1O][1c]1[1cH][1cH][1cH][1c]([1F])[1n]1)S(=[1O])(=[1O])[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239788","I[1c]1[1cH][1cH][1cH][1cH][1c]1[1N]([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239734","[1CH3][1O][1C](=[1O])[1C@@H]1[1CH2]S[1C@H]([1CH2][1N]=[1C]([1OH])[1O][1C]([1CH3])([1CH3])[1CH3])[1N]1[1C](=[1O])[1CH2]Cl"]
["76239939","[1CH3][Si]([1CH3])([1CH3])[1c]1[1cH][1n](-[1c]2[1cH][1cH][1c]([1C](=[1O])[1C]([1F])([1F])[1F])s2)[1n][1n]1"]
["76239658","[1CH3][1C](=[1O])[1n]1[1n][1cH][1c]2[1cH][1c]([1N]=[1C]([1OH])[1O][1C]([1CH3])([1CH3])[1CH3])[1n][1cH][1c]21"]
["76239875","[1CH2]=[1CH][1c]1[1c]([1C](=[1O])[1c]2[1cH][1cH][1cH][1cH][1cH]2)[1cH][1n]2[1c]1[1CH2][1CH2][1C]2([1CH3])[1CH3]"]
["76239758","[1CH3][1N]([1CH3])[1c]1[1cH][1cH][1cH][1cH][1c]1[1C]([1OH])([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["69491792","[1CH3][1CH2][1O][1C](=[1O])[1C]([1CH3])([1c]1[1cH][1cH][1c]([1O][1CH3])[1cH][1cH]1)[1c]1[1cH][1cH][1cH][1cH][1c]1[1N+](=[1O])[1O-]"]
["49420008","[Ge]#S[Ge]12S[GeH]3S[Ge](S[GeH3])(S[Ge](S[GeH3])(S3)S1)S2"]
["162710386","CSc1c(Cl)sc2cc(C)ccc12"]
["62043096","[GeH3]S[GeH2]S[GeH3]"]
["97342152","S[Ge@]12S[Ge@@]3(S)S[Ge@](S)(S1)S[Ge@](S[Ge@]14S[Ge@@]5(S)S[Ge@@](S)(S[Ge@](S)(S5)S1)S4)(S2)S3"]
["69720195","[Ge+]#S[Ge]12S[Ge+]3S[Ge](S#[Ge-])(S1)S[Ge](S#[Ge-])(S3)S2"]
["79232957","[249Pb]"]
["175672660","[261Db]"]
["152956151","O1C2OC3C4C1C1C(O2)C3n2n4n21"]
["179123506","O1C2C3C4C1C1C2C3C41"]
["126224376","CC1CC(C(=O)N2CCN(C(=O)C3CC(C)OC(C)C3)[C@@H](C)C2)CC(C)O1"]
["100679372","CC1CCC2CC(C)[C@@H](F)C(F)C2O1"]
["155019525","C1C[C@H]2O[C@@H](C[C@H]3O[C@@H]23)O1"]
["97398736","O=C(OC1[C@@H]2O[C@H]3O[C@@H](C2O)C(O)[C@@H]1O3)c1ccccc1"]
["76233846","C1C2OC2C[C@H]2O[C@H]12"]
["43370142","CC(=O)N1C2C3NC4C3OC2C41"]
["27223161","O1[C@H]2[C@@H]3O[C@@H]3[C@H]3O[C@H]3[C@@H]3O[C@@H]3[C@@H]12"]
["101062348","O1C2OC3OC1OC(O2)O3"]
["42728798","COC1C2OC3OC(C2O)C(O)C1O3"]
["173898363","[B][C@@H]1O[C@@]2([C@H](C)C(C)C)[C@H](C)[C@@H]1O[C@@H]2C"]
["170447138","c1c#cc2cc#c[c]c2c#1"]
["167325362","c1c#cc2c(c#cc#cccc3ccc(ccc#1)cc3)CCC2"]
["173004198","CCCCCCCC(=O)c1c#cc#cc1"]
["81912278","c1[c]c2c(cc#1)sc1ccccc12"]
["79137174","Cc1[c][cH-]c[c-]1.[CH3].[Ca+2]"]
["74643199","Brc1cc#ccc1Br"]
["81912200","c1c#cc(-c2cccc3oc4ccccc4c23)cc#1"]
["178026037","Oc1c#cc#cc1"]
["97212409","c1c#cc2ccccc2c#cc2c(c#cc3ccccc3c#1)-c1c#cc3ccccc3c#cc#cc3ccccc3c#cc1-2"]
["164525019","CC(C)(C)c1cc(-c2cc3c#cc#cc4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc5c6cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(c#cc#cc7cc(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cc8c(c2)c3[nH]c78)c6[nH]c45)cc(C(C)(C)C)c1"]
["91440150","c1c#cc#cc2cc3c#cc#cc#cc#cc4ccc(c#cc#cc#cc#cc5cc(c#cc#cc#cc#cc6ccc(c#cc#1)cc6)cc(c#cc#cc#cc#cc1ccc(c#cc#cc#cc#cc(c2)c3)cc1)c5)cc4"]
["199376412","COC(=O)c1ccc2c#cc3ccccc3c#cc3ccc(C(=O)OC)cc3c#cc#cc2c1.COC(=O)c1ccc2c#cc3ccccc3c#cc3ccc(C(=O)OC)cc3c#cc#cc2c1"]
["197054582","[Se]=[Se]=[As](=[Se])[Se][As](=[Se])=[Se]=[As](=[Se])[Se][As](=[Se])=[Se]=[Se]"]
["25498739","Clc1c(CBr)c(CBr)c(Cl)c(CBr)c1CBr"]
["62798466","[Se]=[As](=[Se])[Se][As](=[Se])=[Se]"]
["172214694","FC1C=CC(F)(F)C1F"]
["175672245","[181Au]"]
["175672227","[179Re]"]
["175671798","[137I]"]
["175671157","[63Ge]"]
["116278846","NC#CNC#CO"]
["176407432","Nc1c(-c2ccccc2)nnc(-c2ccccc2)c1NC#CC#CO"]
["59740401","C=CC#CN"]
["45325822","OC#CC1(C#CO)Sc2cc3c(cc2S1)SC(C#CO)(C#CO)S3"]
["78055255","N#CO.[H].[Rb]"]
["79464694","ClNC#CNCl"]
["175048819","N#CO.O[SiH3]"]
["172747000","N#CN.O=S(O)O"]
["79564615","OC#CI"]
["179670777","CCNC#CCN"]
["184278549","NC#CCNCS"]
["166397413","OC#C/C=N/PP"]
["69720188","[Ge-]=[O+][Ge]12O[Ge](O[Ge-]=[O+][Ge-]=[O+]1)O[Ge-]=[O+][Ge-]=[O+]2"]
["43242706","[O+]1=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-]1"]
["170623635","[O+]1=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-][O+]=[Ge-]1"]
["171375603","O=[Ge-]O[Ge]1(O[Ge](=O)[O+]=[Ge-][O+]=[Ge-])O[Ge](=O)[O+]=[Ge-][O+]=[Ge]([O+]=[Ge-])O1"]
["50811833","CCCCCCCCCC1=c2ccc([n-]2)=C(C#Cc2cccc([O+]=[Si-]C(C)(C)C)c2)c2ccc([n-]2)C(C#Cc2cccc([O+]=[Si+]C(C)(C)C)c2)=c2ccc([n-]2)=C(C#Cc2cccc([O+]=[Si-]C(C)(C)C)c2)c2ccc1[n-]2.[Zn+2]"]
["153624992","CCCCCCCCCCCCCCCCCC(=O)Oc1cc(OC)cc2oc3c(OC)cccc3c(=O)c12"]
["173916618","CCCCCCCN=C(O)N(C)c1cccc(-c2ccc(C[C@@](OC)(C(=O)OC)C3CC3)cc2)c1"]
["78101452","CCCCCCCCCCCCc1ccc([I+]c2ccc(CCCCCCCCCCCC)cc2)cc1.[Br-]"]
["67528810","CCCCCCCCOc1ccc2c(c1)OCC2O"]
["49787299","CCCCCCCCN(CCCCCCCC)C[C@H]1O[C@@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)O[C@@H](c2ccc(CO)cc2)[C@H]1C"]
["76646707","CCCCCCCCCCc1ccc(C2C=CC(=O)N=C2)cc1F"]
["97583254","CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(/N=N/c3ccc(OC)cc3)c(OCCCCOc3cc(OC(=O)c4ccc(OCCCCCCCCCCCC)cc4)ccc3/N=N/c3ccc(OC)cc3)c2)cc1"]
["185711092","CCCCCCCc1ccc(C2CCC(C#Cc3cccc(C#N)c3CCCC)CC2)cc1"]
["45226950","CCCCCCCCC1=CC(C(=C=N)C#N)=S=C1c1ccc(-c2ccc(-c3ccncc3)s2)s1"]
["171979987","CCCCCCCCc1ccc(OC(=O)CCC)c(OC(=O)CCC)c1"]
["174762122","CCCCCCCCCC1=CC(OC(=O)CCCCC)c2cccc3cccc1c23"]
["192051091","N.N1=NC(=C2N=NN=[NH+]2)N=N1"]
["75877646","CCCC[N+]1(C)[N-]C(CC)=C(C(=O)OC)C1=c1ccc(=c2ccccc2=C2N=NN=[NH+]2)cc1"]
["199372849","OCN1C=[NH+]C(=C2N=NN=[NH+]2)[N-]1.[K+]"]
["15325355","COC([O-])=c1ccc(=C2N=NN=N2)cc1"]
["11435559","C[C@@H]1N=C(c2cccc(NC([O-])=c3ccc(=C4N=NN=N4)cc3)c2)CS1"]
["63716400","C[C@@H]1CCC[C@@H](C)N1C(=O)COC([O-])=c1ccc(=C2N=NN=N2)cc1"]
["170614643","N1=NC(=C2[N-]ON=C2OC2=NO[N-]C2=C2[NH+]=NN=[NH+]2)N=N1.N=C(N)N.N=C(N)N"]
["16123144","CC(C)[C@@H](NC([O-])=c1ccc(=C2N=NN=N2)cc1)c1ccc(F)cc1"]
["44108043","CCN(Cc1ccc(Cl)s1)C([O-])=c1ccc(=C2N=NN=N2)cc1"]
["168282559","Oc1c(C=c2ccc(=C3N=NN=N3)cc2)sc(=S)n1-c1ccc(C(F)(F)F)cc1"]
["18825692","COc1ccc([C@H](C[N-]C(O)=c2ccc(=C3N=NN=[NH+]3)cc2)N2CCOCC2)cc1"]
["170420222","Oc1ccc(C2=CN=c3ncc(=c4ccc(=C5N=NN=N5)cc4)cc32)cc1"]
["171833745","C(CCC[Si-]1CCCCC1)CC[Si+]1CCCCC1"]
["59255036","CCC(O)CCCCCCC(C(=O)O)C1CCCCC1"]
["67834500","CCCCC[Si-]1CCC(CCCC[Si+]2CCC(c3ccc(OC(F)F)c(F)c3)CC2)CC1"]
["64086277","CCCCC[Si-]1CCC([Si+]2CCC(C(=O)[O-])CC2)CC1"]
["161718886","C1CC[Si-]2CCCC[Si+](C1)CCCC2"]
["54869411","CCCC[Si+]1C[Si-]C1"]
["63770473","CCCCC[Si-]1CCC([Si+]2CCC(CCBr)CC2)CC1"]
["79945219","S=C(S)OCCOC1CCCCC1.[Pt]"]
["42956477","C1CC[si-]2o[si]([o+]2)C1"]
["195274973","CCCC[Si-]1CC[Si+](Cl)CC1"]
["195274927","CCCC[Si-]1CCC[Si+](Cl)C1"]
["122923463","CC(N=C(O)CC1CCCCC1)C(=O)OCCCOC1CCCC1"]
["170260741","C=CCOC12C[C@]34CC[C@H]5CC(=C)[C@H](CC[C@H]6C[C@@H](C)C(=C)C(C[C@@H]7O[C@H]8C[C@@H](C)[C@@H](CI)O[C@H]8[C@H](C)[C@H]7OC(=O)C[C@H]7CC[C@@H]8OC(C(O1)[C@@H](O3)[C@H]8O7)[C@@H]2O4)O6)O5"]
["32030591","C=C1C[C@H](O)[C@@H]2O[C@@H]2[C@@H]2CC(=C)[C@H](CCC(C/C=C/C)OC(=O)C(C)CC(C)/C=C/1C)O2"]
["53269943","CC(O)=N/C=C/CC1C[C@@H](OC(=O)c2ccccc2)[C@@H](C)C/C=C/Cc2cccc(O)c2C(=O)O1"]
["45651982","C#CCO[C@@]1(C)C[C@@H](C)C(=O)C2(C)CNC3C(=O)O[C@@](C)(C32)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O"]
["172039356","C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@@H]6C(O[C@H]7CC[C@H](CC(=O)O[C@@H]8[C@@H](OC)[C@@H](O)[C@@H](CC(O)CO)O[C@H]8C[C@H]8O[C@@H](CC[C@@H]1O2)C[C@@H](C)C8=C)O[C@@H]7[C@@H]6O3)[C@H]5O4"]
["97046663","C=C(C)[C@H](C)[C@H]1/C=C/C(=O)C[C@H]2O[C@@H]2[C@H]2CC(=C)[C@H](C)[C@@](O)(CC(=O)O1)O2"]
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["78343955","[2H][B]P([3H])BC"]
["194602148","[2H][PH+]1P([3H])[PH]1([3H])[3H].[V]"]
["100207102","C1=C2CPP1PP2"]
["61391124","C[Si-](C)(O[Si-](C)(C)=C1[CH-][CH-][CH-][CH-]1)=C1C#CC#C1.[Fe]"]
["176448213","COC([O-])=C1C#CC#C1.COC([O-])=C1C#CC#C1.[Fe+2]"]
["26332398","COC1=CC2=C=C(C)N[C]2C=C1"]
["179565437","CN(CB(O)O)CC(N)CC1=CCC#CC#C1"]
["154926645","CC(C)Oc1ccc(NN=N)cc1"]
["169814178","COC(O)=C1C#C[C]=C1Cl"]
["173082469","[B+]=C1[CH-][CH-][CH-]C1=[B+].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1"]
["25270360","COC1=C(OC)C([O])=C=C(C)C1=O"]
["74648626","COc1[c]c(OCC(C)O)ccc1"]
["162849100","CC(C)(C)ONC=C1C=NC=N1"]
["26246582","Fc1[c]c(Cl)cc(F)c1"]
["99535848","C[Si-](C)(C)=C1[CH-][CH-][CH-][CH-]1.Nc1ccc[cH-]1.[Fe]"]
["19488194","Clc1ccc(SCc2cn3cc(Cl)ccc3[nH+]2)cc1"]
["171227115","Cl.N[C@@H](CCF)c1ccc(Cl)cc1C(F)(F)F"]
["102431149","OC(CSCc1ccc(Cl)cc1F)=NCCSCc1c(Cl)cccc1Cl"]
["MCULE-3103876284","CCSc1ccc(Cl)cc1CC(O)=NCC(O)=NCc1ccc(Cl)cc1"]
["49675011","CCc1nn2c(=O)cc(CSCc3ccc(Cl)cc3Cl)nc2s1"]
["74948733","OC=Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1"]
["19046503","CCOCC(O)=Nc1ccc(OC)c(OCc2cn3ccccc3[nH+]2)c1"]
["138149562","N#Cc1csc(C(=O)NCCSc2ccc(Cl)cc2)c1"]
["13445372","Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C(O)=NCc1ccc(F)cc1"]
["92672325","CNCc1c(C)nn(C)c1SCc1ccc(Cl)cc1"]
["119421715","O=C(c1ccc(Cl)cc1)N1CCN(CCSc2ccc(F)cc2)CC1"]
["61561660","CS(=O)(=O)c1ccc(SCc2ccc(C(=O)NN)s2)cc1"]
["78511213","CI=II=II=II=II=II=II"]
["69528573","C[B-]=II"]
["195774950","CNI=II=II"]
["180822800","CI=C(O)CNI"]
["78641650","CCNNNNI"]
["170683804","II=I[I+]I"]
["54097117","[B]=BI(I)I"]
["173857874","CS(C)(C)([O-])=II"]
["78333451","II=II"]
["150659494","CC12CCCC3(S)C4C(S)(CC1)S423"]
["CNP0540957.0","BrI=I[I]I"]
["184133136","[CH2-][I]1(C(C)([I]I)C(=N)O)CCCC1"]
["185698622","FP(F)(F)=NP(F)(F)(F)NP"]
["52058196","CCC(C)P(F)(F)(F)NC(C)C"]
["49364856","CN=P(F)(F)[NH2+]C"]
["91673361","O=P(F)(F)F.[Fe].[Ni]"]
["91199973","[N-]=[N+]=NP(F)(=S)N=[N+]=[N-]"]
["98755390","CC(C)(NP)NP"]
["160333154","O=P([O-])([O-])F.[Rb+].[U]"]
["171799142","ClP(N=P(N1CCCC1)(N1CCCC1)N1CCCC1)(N=P(N1CCCC1)(N1CCCC1)N1CCCC1)(N=P(N1CCCC1)(N1CCCC1)N1CCCC1)N=P(N1CCCC1)(N1CCCC1)N1CCCC1"]
["22724470","O=P([O-])([O-])F.[Ba+2]"]
["170748616","O=CC(O)NP"]
["62412793","FP(F)(F)(F)CCl"]
["162147962","COC(O)=NC(C)=CP(=O)(F)F"]
["154933687","N=S=S12=S34=S56=S(C153)C264"]
["192387743","C=C.N=C(S)SSC(=N)S.N=C(S)SSC(=N)S"]
["173695304","[B-]=S1C23SS12S3"]
["59259242","N=S=N[S-]"]
["186008588","N=S=S=S=S=S"]
["75437492","N=C(S)SC(S)=Nc1ccccc1"]
["160400211","C=C.N=C(N)S.[V]"]
["174959577","N=C(N)S.N=C(S)SSC(=N)S"]
["175894320","N=C(S)SSC(=N)S.S"]
["79427505","N=S=C(O)O"]
["185419244","N=C(O)SSC(=N)S"]
["75028494","CI(C)Sc1ccccc1"]
["172140295","C1=CSC(=C2SC=C(C3=C[Se]C(=C4[Se]C=C[Se]4)[Se]3)S2)S1"]
["91055155","ON=CC1=CSC(=C2SC=CS2)S1"]
["97590578","C1=CSC(=C2SC3=C(S2)SC(C2SCCS2)S3)S1"]
["75156613","C1=CSC(=C2SC(c3ccccc3)=C(c3ccccc3)S2)S1"]
["91345249","NCCCC1=CSC(=C2SC=CS2)S1"]
["99617519","Cc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)cc1C=CC1=CSC(=C2SC=CS2)S1"]
["97399672","N#CC1(C#N)CC=C2SC(=C3SC=CS3)S[C@H]2C1(C#N)C#N"]
["74650193","Sc1ccc(C=Cc2ccc(C=Cc3ccccc3C3=CSC(=C4SC=CS4)S3)cc2)cc1"]
["96971636","C1=CSC(=C2SC3=C(S2)SC(=C2SCCCS2)S3)S1"]
["54501040","C1=CSC(=C2SC=C[S+]2)S1"]
["32794265","COc1ccc(/C=C\\C2=CSC(=C3SC=CS3)S2)cc1"]
["184853557","O=CS1(C=O)(C=O)(C=O)C=CSC1=C1SC=CS1"]
["91706188","[SiH3]NCN([SiH3])CN([SiH3])CN([SiH3])[SiH3]"]
["78519953","CC(C)CN([SiH3])CC(C)C"]
["91706191","[SiH3]N([SiH3])CN([SiH3])CN([SiH3])[SiH3]"]
["175336843","CCN(CC)C(=O)CC(=O)CC(=N)O"]
["79034529","CCN(CC(C)C)C(CN[SiH3])(NC)NC"]
["165176911","OCN(O)CN(O)CNO"]
["79710687","COCCN([SiH3])CCOC"]
["79004176","CN(C)C(CN[SiH3])N(C)C"]
["181763134","CCCN([SiH3])CCNOC"]
["175564188","CCCN([SiH3])C(CC(C)N)(CC(C)N)C(C)N"]
["79913274","B1NBNBN1.[SiH3]NN([SiH3])[SiH3]"]
["179791489","CCN(CN(CNC(F)(F)F)C(F)(F)F)C(F)(F)F"]
["173893893","[B]C([B])[B]C([B])[B]C([B]C([B])[B]C([B])[B])[B]C([B])[B]C([B]C([B])[B]C([B])[B])[B]C([B])[B]C([B])[B]"]
["49816529","[B]=BC1(C)CC1"]
["89199541","CNCC1(CC(C)C)CC1(C)C"]
["95271398","COC(C)CN(C)C(C)CC#N"]
["173612005","[B][C@@H](CC)O[C@@H](CC)COC"]
["175995463","[B]C([O-])C1(N)CC1.[Pr]"]
["193771593","CC(C)C(C)[B]C(C)C(C)C.[B]C(C)C(C)C"]
["173617989","[B]C(O)C12CCN(CC1)CC2"]
["173882470","[B][C@H](C)[B]C"]
["173934914","[B]C([B]O)[B]O"]
["173697044","[B]=BOC[C@H](Br)C[C@H](F)C=N"]
["171530905","[B]C(C)CNC=C"]
["173992960","C[As]CCC[As](C)C"]
["169976932","CCOC(N)=C(N)N"]
["47896272","CCCC[Si]1(C)C=CC=C1C"]
["90980332","CC(C)CC[As]C(C)(C)C"]
["172112913","C[Si]1(CCCc2c(F)c(F)c(F)c(F)c2F)OCC=CCO1"]
["79129365","CCCCC(=N)N.CCCCC(=N)N"]
["91574921","C#C[As](CCCC)CCCC"]
["96559286","C[N+](C)([O-])CCCCCC[N+](C)(C)[O-]"]
["173031091","CC(=CCC[As](C)C)C(=O)O"]
["78961366","C[As](C)CCC[SiH3]"]
["91315592","CCCC[As]CCC(=O)O"]
["178840933","CCC1C2COC(C2)C1C"]
["97520185","B1=[N+]B2[N+]B3[N+]B4[N+]B1[N+]1=[N+]=BN2[B+]N3[B+]N4[B+]1"]
["46240195","FC(CSCC(F)SCC(F)(F)SC(SCC(F)(Cl)SC(SC(SCC(Cl)(Cl)Cl)C(F)(Cl)Cl)C(F)(F)Cl)C(F)(F)F)SCC(Br)SCC(S)Cl"]
["182298203","[N-]=[N+]=NC(SCC(F)(F)Cl)(SC(SCC(F)Cl)C(F)(Cl)Cl)C(Cl)(Cl)Cl"]
["24017577","O=C(Cl)CSC(Cl)C(F)(F)F"]
["150099460","FC(CS)SCC(Cl)(Cl)Cl"]
["61296362","CC(C)(SC(SC(F)(F)CSC(F)CS)C(F)(F)F)C(F)(F)F"]
["59927718","FC(CS)SCC(Cl)SCC(F)(F)SCC(Cl)(Cl)SCC(F)(Cl)SC(SCC(F)(Cl)Cl)C(F)(F)Cl"]
["98437533","FC(Cl)CSC(S)C(F)(F)F"]
["43680770","SC(Cl)SC(Br)SC(Cl)(Cl)SC(Cl)(Cl)Cl"]
["16295770","O=C(Cl)CS[C@H](Cl)C(F)(F)F"]
["185291137","OC(O)(CSCCC(S)Cl)C(S)SC(S)C(O)(O)CSCCC(S)Cl"]
["181010778","FC(Cl)CSCC(F)(F)F"]
["59937618","CC(Cl)CSC(F)CCSCC(F)CS"]
["175219387","Pc1ccc(PN(c2ccccc2)c2c(-c3ccccc3)ccc(-c3ccccc3)c2Nc2ccccc2)cc1.c1ccc(Nc2c(-c3ccccc3)ccc(-c3ccccc3)c2Nc2ccccc2)cc1"]
["MCULE-6410994386","Cc1cc(C)c(N=C(O)c2cccc(C)c2F)c(-c2ccccc2)c1"]
["MCULE-9703352892","COCCN(CCOC)c1nc(N=C(O)c2ccccc2-c2ccccc2)n(-c2ccccc2)n1"]
["MCULE-9292259778","CN(C)c1cccc(Nc2cc(N3CCc4cc5c(cc4C3c3ccccc3)OCO5)nc(-c3ccccc3)n2)c1"]
["174254621","CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)CCCCC4)cc3)cc2-c2c(-c3ccccc3)cccc21"]
["184236868","OC1(c2ccccc2-c2ccccc2)c2cc(Br)ccc2-c2c1ccc1ccccc21"]
["172059457","c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4c(N(c5ccc(-c6ccccc6-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cccc43)cc2)cc1"]
["171618445","O=[N+]([O-])c1c(-c2ccccc2)ccc(OP(=O)(Oc2ccc(-c3ccccc3)c([N+](=O)[O-])c2-c2ccccc2)Oc2ccc(-c3ccccc3)c([N+](=O)[O-])c2-c2ccccc2)c1-c1ccccc1"]
["174133027","[B]1c2ccc(N(c3ccccc3)c3ccccc3)cc2N(c2ccc(-c3ccccc3)cc2)c2c1c(-c1cc(-c3ccccc3)ccc1Nc1cccc(-c3ccccc3)c1)cc1oc3ccccc3c21"]
["104869036","CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2ccc(C)cc2)C1=O"]
["143805524","O=C(Cc1ccc2c(c1)N=C(O)C2)N1CCc2c(-c3ccccc3)cccc21"]
["174800878","C1=CNC(N2CCN(c3nnc(Cc4ccccc4)cc3-c3ccccc3)CC2)N=C1"]
["192860692","CC(C)C(O)N1CC2(CCN(C(C)C)CC2)C1.CC(C)C(O)N1CCC2(CCCN(C(C)C)C2)C1.CC(C)C(O)N1CCC2(CCN(C(C)C)CC2)C1"]
["148269640","Cc1cc(C)cc(-n2nc(C(=O)N3CCC(C(=O)O)(C(C)C)C3)cc2C)c1"]
["123815709","CC1CN(C(C)C)CC1NC(O)=NCCN(C)C(C)C"]
["MCULE-2322500648","COCC1(C(=O)N2CCC3(CCCN(C(=O)CCN(C)c4ccccc4F)C3)C2)CC1"]
["61522953","CC(C)N1CCC(N=C(O)C2CCCN2S(C)(=O)=O)CC1"]
["170062939","CCCCCCC(CCCC)CN1CCC2(CC1)CN(C(=O)CNC(C)CCCCC)C2"]
["178870397","CC(C)C(O)=N[C@H](C(C)C)C(O)N1CCC(C2C=CC(F)=C2)C(C)(C)C1"]
["169650549","CC(C)N1CCN(C(=O)C(C)(C)C(=O)C(C)(C)C)CC1"]
["131144930","CC(N=C(O)N1CCCC2(CC2)C1)c1ccc2c(c1)OCCO2"]
["137765982","Cn1cnnc1-c1ccc(N=C(O)C(=O)N2CCCC3(CCCCCC3)C2)cc1"]
["150775060","COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(C(=O)C4CC4)C2)C3)cc1"]
["66715002","CC(C)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1"]
["75961132","[S-][C+]1C=S=[N+]([S-])N1"]
["161821297","NC1NC2CSC=C2O1"]
["75125675","BrN1NC=CS1"]
["26532921","[C]1=[N+]=[C-]C=CN1"]
["61412795","[S-][N+]1=C[NH+]([S-])C=C1"]
["25353984","[O-][N+]1=S=CC=C1"]
["25687262","OC1=C=C[CH]S1"]
["145180945","[O-][N+]1([O-])C=CNS1"]
["107664803","O=C(O)Cc1cc2c(s1)NCCC2=O"]
["78360618","C1#SNN=C1"]
["193928072","CC1=NC(N)(S)SN1"]
["49064285","[S-][n+]1ccc[n+]([S-])c1"]
["27131475","OC(Cl)=c1oc(=C(O)Cl)c(=C(O)Cl)c1=C(O)Cl"]
["161713800","O=C(Cl)C1=CC=C/C1=C(\\O)Cl"]
["145406855","O=C(Cl)c1nc2c(C(F)F)cccc2o1"]
["MCULE-2348995455","OC(=Nc1nnc(-c2ccc(Cl)cc2)o1)c1cncc(Cl)n1"]
["183478124","CC1=C(C(=O)Cl)OOC1"]
["78367195","O=C(Cl)C(=O)Cl.O=S(=O)(O)O"]
["45795467","OC1=N[C@H]2C[C@H]2CO1"]
["166809872","O=C(O)N1CC2=C(C1)CN(C(=O)Cl)C2"]
["170521508","CC1=C(C)C(C)C([Si@](C)(O)O[Si@@](C)(O)C2C(C)=C(C)C(C)=C2C)=C1C"]
["59222053","Cc1nc(CNCC(=N)O)oc1C"]
["159115022","CC1CC(c2nnc(C(=O)O)o2)C1"]
["94077602","Cc1cc(C(O)=NCC(C)(C)CCl)c(C)o1"]
["192153372","C[SiH](C)N([GeH2]N([Si](C)(C)C)[Si](C)(C)C)[SiH](C)C.C[SiH](C)N([SiH](C)C)[Ge](=[Te])N([Si](C)(C)C)[Si](C)(C)C.[TeH2]"]
["98981452","CN(C=CCCCC#N)[Si](C)(C)C"]
["148982322","CN([SiH](C)C)[Si](C)(C)C.CN([SiH](C)C)[Si](C)(C)C.[Sn]"]
["170520746","C[Si](C)(C)N(P=PN(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.C[Si](C)(C)N(P=PN(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C"]
["97533497","C[SiH](C)N(C(C)(C)C)[Si](C)(C)Cl"]
["96491194","CCN(CC)[Si](C)(C)N([SiH](C)C)[Si](C)(C)N(CC)CC"]
["79775353","CN([SiH](C)C)[Si](C)(C)N(C)[Si](C)(C)Cl"]
["176015248","CCO[SiH](C)N(C(C)C)[Si](C)(C)C"]
["78590929","C[Si](C)(C)N(CCC#N)[Si](C)(C)C"]
["79575695","C=Cc1ccccc1.CN([SiH](C)C)[Si](C)(C)C"]
["172841137","C=CN([SiH](C)C)[Si](C)(C)C#C[Ge](CC)(CC)CC"]
["180851005","C1=CN(c2ccnc3conc23)C2=C[I+]COC2=C1"]
["174165662","CP1(C)(C)C[B]B=BC1"]
["189785968","C/C(Br)=C(/C)SC#N"]
["15450422","CC1(C)CCC[NH2+]CC1"]
["179102714","CN(C)[C@@]12CC1=[N+]2C.I"]
["172356829","C[CH-]C.[NH-]Cl.[Pt+2]"]
["173381349","CC1B=BCB=B1"]
["79046658","[Cl+]=CC[CH-]Br"]
["98082714","CN1CCS/C1=N\\CC/N=C1\\SCCN1C"]
["200281825","Cc1c(O)cc(Cl)c(Br)c1F"]
["58958266","CP12(CCCP3(C)(OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O3)O1)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O2"]
["57203318","CC1B=BC1"]
["167334434","CP1(Br)(c2ccccc2)CCP(C)(Br)(c2ccccc2)CC1"]
["96731485","[N]=[O+]P(=O)(CN(CP(=O)([O+]=[N])[O+]=[N])CP(=O)([O+]=[N])[O+]=[N])[O+]=[N]"]
["25792356","O=P(O)(O)CN(CCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O"]
["160259034","CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(N(C)C)N(C)C"]
["88599457","COCCN(CCC#N)S(=O)(=O)CBr"]
["79113838","NCCCC(=O)N(CP(=O)(O)O)CP(=O)(O)O"]
["185212275","N#CCCP(=O)([O-])O"]
["91499819","CN(CC(=O)O)CP(=O)(O)OC(=O)O"]
["97603357","CCCOP(=S)(OCCC)[O+]=[N]"]
["56258256","O=P(O)(O)CN(CC(O)N(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O"]
["167284202","CC/C=C(/C)NP(=O)(N(C)C)N(C)C"]
["24949812","CN(C)C(=O)N(CC#N)CP(=O)(O)O"]
["86181944","CCS(=O)(=O)N(C)CCBr"]
["78867792","CCC=P(CC)(CCC)CCC"]
["149785066","CC=S=CCC"]
["61772582","CCCC(C)C(C)CCCC(C)CC"]
["174806454","CCCP(=O)(O)CCC.[H-].[Na+]"]
["78292657","CCCCCCCC[P](CCCCCCCC)(CCCCCCCC)CCCCCCCC"]
["79134461","CCCC/C=C/C[O]"]
["175200029","CCCCCCCC(=O)CCS"]
["149596901","CCC=C(CC)N(C)C"]
["195969936","CCCP=C1CN1C"]
["175722539","CCCCCC=N.[Pt]"]
["178902111","CC[C@@H](C)CCCC(F)(F)F"]
["26348814","CC[CH]CC(C)CCC"]
["99799108","C[Si-]N[Si-]N[Si+](C)N[Si+]N"]
["184960685","CN/C=C(\\CN)C1=C(NC)NNC1"]
["99802725","C[Si-]N[Si+]N"]
["168539282","C[Si+](NC(C)(C)C(C)(C)[Si-]NC(C)(C)C)C(C)(C)N"]
["178394382","CC/C=C\\CCCSCCN"]
["200209940","C[C-]1CCN(C)CCOC1.[Cr]"]
["54851942","C[N+]12CCC[C@H]3CCC[C@@H](CCC1)C32"]
["69881643","C[Si-]N[Si+](C)N[Si](C)(N)Cl"]
["93189961","CCNC(COCC)c1c(C)oc(C)c1C"]
["97392950","C[N+]12CCC[C@H]3CCC[C@@H](CCC1)[C@@H]32"]
["69595476","CN[Si-]N[Si+](C)C"]
["53458033","C[N+]12CCCC3CCCC(CCC1)C32"]
["189848022","NCC(C(=O)CCC(N)C(=O)C(CN)S(=O)(=O)O)S(=O)(=O)O"]
["MCULE-5366963666","CCCC(C(O)=Nc1cccc(Cl)c1)N(CC(=O)N(CC)CC)S(=O)(=O)c1cccs1"]
["63446801","NCCCCC(N=C(O)C(CO)N=C(O)C(CS)N=C(O)C(N)CC(=O)O)C(=O)O"]
["104902713","COC(=O)[C@H](N)CC[C@@H](N)C(=O)OC"]
["198241202","CC(C)(C)C(=O)CN=C(O)C(CS)N=C(O)CC[C@@H](N)C(=O)O"]
["79472074","N=C(O)CC(O)(CC(=N)O)C(=N)O.NCCCC[C@H](N)C(=O)O"]
["57528913","CC(O)C(N)C(O)=NC(CCCCN)C(O)=NC(CCCCN)C(O)=NC(CO)C(=O)O"]
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["58238396","[CH-]=C[N-]C.[CH3-].[Ru+3]"]
["161656278","[Ba+2].[CH-]=CC[CH2-]"]
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["161675342","[CH-]=CC=[CH-].[CH3-].[Ir+3]"]
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["103013772","[CH-]=CC(=C=[N-])[CH][CH2-]"]
["179290878","[CH-]=CC[CH2-].[CH3-].[Sc+3]"]
["172180413","O[Si]1=[SiH][Si](O)=[SiH]CCCC1"]
["168442002","F[Si]1CCCC1"]
["50035185","C=C(C(O)O)[Si]1CCCCO1"]
["53680733","F[Si]1CCCCC1"]
["50568049","O=C(O)CNC1CCC[N]C1"]
["65976189","CC(C)C1CCCN(C(=O)N2CC(C)C(C(=O)O)C2)CC1"]
["52039653","C[Si]1CCCC[OH+]1"]
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["145720525","B=[Si]1CCC1"]
["68066113","N/C=C(\\N)[Si]1CCCCO1"]
["97792502","C1CC[SiH]NC1"]
["180096047","ON=C=IC1CCCC1"]
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["110923737","[O-]P(O)C1C=CC=C1"]
["172846815","C1=COPC=C1.Cl"]
["195679245","C1=CPOP=C1"]
["79161337","O=[PH]1O[O+]([O-])O[PH](=O)P1"]
["175970017","[O-][O+]1C=CN=CC1"]
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["168378439","C1=CPOC(N/N=c2\\cccpo2)=C1"]
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["99501273","CCO.CC[B]CC"]
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["79916973","CCB(CC)CC.[H-]"]
["46343766","CPCCCP(C)CCCPC"]
["173695179","CC[B]CC[B]C1CC1"]
["173222787","CC[B]CC.[H-].[Na+]"]
["159619778","CC(C)CB(CC(C)C)CC(C)C.CCB(CC)CC"]
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["173918524","[B+]C1([B+])NC([B+])([B+])C([B+])([B+])N([C-]([O-])C2CCN(c3c(F)[cH-][n-][cH-][c-]3N=C(O)C3=C([NH-])NN4[C-]=C(F)CN=C34)CC2)C1([B+])[B+]"]
["194736349","[B+]C1([B+])CC2=C([CH-][CH-]C(Br)=C2Cl)O1"]
["173751565","[B+]C1([B+])NC([B+])([B+])C([B+])([B+])N([c-]2[cH-][cH-][cH-][c-]3s[cH-][cH-][c-]23)C1([B+])[B+]"]
["173808054","[B]C1([B+])CCC([B+])([B+])C1([B+])n1c(=O)[c-]([C-](C)[O-])[c-](C)[c-]2[cH-]nc(Nc3[cH-][cH-][c-](N4C([B+])([B+])C([B+])([B+])NC([B+])([B+])C4([B+])[B+])[cH-]n3)[n-][c-]21"]
["173745920","[B+]C1([B+])OC([B+])([B+])C([B+])([B+])N([c-]2[cH-]c(C)c3[n-]c(CO)c(Cc4[cH-][cH-][cH-][c-](C(F)(F)F)c4C)n3[n-]2)C1([B+])[B+]"]
["176624000","[B+]C1([B+])NC([B+])([B+])C([B+])([B+])N(C2=[C-][CH-][CH-]C3=C=C(S[C-]4[CH-][CH-]CC[CH-]4)C(=[B+])[N-][C-]32)C1([B+])[B+]"]
["175729725","[B+]C1([B+])N=C(O)c2[cH-][c-](Br)[cH-][cH-]c2OC1([B+])[B+]"]
["175187016","CC.[B+]C([B+])(COCCO)N1C([B+])([B+])C([B+])([B+])N([c-]2[n-][c-]3[cH-][cH-][cH-]cc3sc3c[cH-][cH-][cH-][c-]32)C([B+])([B+])C1([B+])[B+]"]
["173732290","[B+]C1([B+])NC([B+])([B+])C([B+])([B+])N([C-]2[CH-][CH-][C-](N([O-])[O-])[CH-][CH-]2)C1([B+])[B+]"]
["173737736","[B+]C1([B+])N([CH-]C(=O)c2c(C)n(C3=[C-]C[C-]([C-]=[N-])C[CH-]3)c3[cH-][c-](Br)[cH-][n-]c23)C([B+])([B+])C([B+])([B+])C([B+])([B+])C1([B+])[B+]"]
["176624003","[B+]C1([B+])NC([B+])([B+])C([B+])([B+])N(C2=[C-][CH-][CH-]C3=C=C(OS[C-]4[CH-][CH-]CC[CH-]4)C(=[B+])[N-][C-]32)C1([B+])[B+]"]
["161723931","CN1P(C)(C)=NPNPNP(C)(C)(C)N(C)P1(C)(C)C"]
["197547401","CCn1ncc2c(Cl)cncc21"]
["177121729","CN1P(C)NPN=P(C)(C)N(C)P1(C)(C)C"]
["161723036","CN1P(C)(C)=NPNPNPNPNP(C)(C)(C)N(C)P(C)(C)(C)N(C)P(C)(C)(C)N(C)P1(C)(C)C"]
["178555653","CN=C1NNC(O)N1C"]
["86305434","CN=c1nc(N2CCS(=O)(=O)CC2)cc[nH]1"]
["171630531","CNN1PNP(F)(F)(F)N=P1(F)F"]
["175326706","CC(C)CON1PNPNP1"]
["178411453","CC1=[NH+]NC2C1C(C)N(C)C2O"]
["171768566","c1ccc(ON2P(Oc3ccccc3)(Oc3ccccc3)=NPNPNP(Oc3ccccc3)(Oc3ccccc3)(Oc3ccccc3)N(Oc3ccccc3)P2(Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1"]
["86346727","CN=c1nc(N2CCN(C)C(C)C2)cc[nH]1"]
["187518885","Cn1ncc(C2=CC=C(CN)CP2)n1"]
["32099558","N[14c]1n[14cH][nH][14c]2n[14cH]n[14c]1-2"]
["164040313","CCCC(C)(C)Cc1c(C)noc1C"]
["180423252","N[C-]1N=INN1"]
["172904768","N=c1cc(N)[nH]c(-c2cccc(C(F)(F)F)n2)n1"]
["162578561","CSc1[nH]c(CC(C)(C)C)cc1N"]
["156267660","CC(C)(C)/N=[N+](/[O-])c1nc(N)c(Br)nc1Br"]
["82745014","Nc1cnn[n+](N)c1"]
["27018142","CC1(C)Nc2ccc(N)cc2N=C1O"]
["76776680","Oc1n[nH][nH][nH][nH]1"]
["161420263","CC(C)(C)N=[N+]([O-])c1nc(N)c(Br)nc1Br"]
["197487207","CC(C)(CN)Cc1ncc(Br)s1"]
["15480417","Nc1cc(Br)c2c(Br)n[nH]c2c1"]
["150726130","BC(B)(C(C)(C)C)C1(B)C(B)(B)C2(B)C(B)(B)C(B)(B)C23C2(B)BC213"]
["74327867","CCC1=C[C](C(C)(C)C)N=C=C1"]
["150726190","BC(B)(C1CC2CCC1CC2)C(C)(C)C"]
["32552242","C[S+]1C2(C(C)(C)C)C=CC=CC12C(C)(C)C.[I-]"]
["149589831","BC1(CC(C)(C)C)BC1(C)C"]
["184703020","CC(C)(C)CC(C(C)(C)C)C1(C)C=CC=CC=C1"]
["176324594","CC(C)(C1(Cl)C=CC=C1)C1(Cl)C=CC=C1.[Zr]"]
["78361869","BOC(=O)C1(O/N=C(\\C(=O)O)c2csc(N=C(O)OC(C)(C)C)n2)CCC1"]
["185951615","BC(F)(C1OC(F)C(B)(F)C1(B)C1(F)BC1(C)C)C(C)(C)C"]
["57867535","CCC1=CCC2(C=C1)C=CC(CC)=CC2"]
["171433867","CC(C)(C)NCC1(CNC(C)(C)C)C=CC=C1"]
["79412036","COC(C)(S)C([SiH3])(OC)OC"]
["97481544","BrB1[N-]B(Br)[N+](=C2[CH+][CH+]C(=[N+]3B(Br)N=[B-](Br)N=[B-]3Br)[CH+][CH+]2)B(Br)[N-]1"]
["105615316","N=C1CCCCN1C[C@H]1Cc2ccccc2O1"]
["62005490","N=C1CCCCN1CC1Cc2ccccc2O1"]
["105615317","N=C1CCCCN1C[C@@H]1Cc2ccccc2O1"]
["56273903","N=c1nncc(-c2ccc(Br)cn2)[nH]1"]
["97499898","ClB1[N-]B(Cl)[N+](=C2[CH+][CH+]C(=[N+]3B(Cl)N=[B-](Cl)N=[B-]3Cl)[CH+][CH+]2)B(Cl)[N-]1"]
["66931428","N=C1CCCN1CC1Cc2ccccc2O1"]
["97728704","BrB1[N-]B(Br)[N+](=C2[CH+][CH+]C(=C3C=CC(=[N+]4B(Br)N=[B-](Br)N=[B-]4Br)C=C3)[CH+][CH+]2)B(Br)[N-]1"]
["182334326","[NH2+]=NN=NC(=NC(N=C[c+]1[n-]cc[nH]1)=C1[N-]C(=NC=C2C=CN=N2)C(=NC=C2C=CC=N2)O1)c1noc(N=Cc2nccs2)c1N=Cc1ccsn1"]
["169878814","Cc1ncsc1-c1ccc(CN=C(O)[C@@H]2CCCN2C(=O)C(c2cc(OCCCCN3CCCN(c4nccc(C(=N)N=C(O)[C@@]5(C)CCCc6sc(N)c(N)c65)n4)[C@@H](C)C3)no2)C(C)C)cc1"]
["170444347","Cc1ncsc1-c1ccc(CN=C(O)[C@@H]2CC(O)CN2C(=O)C(c2cc(OCCCCOCCN(CCC(=O)N(C)C)C(=O)OC(C)(C)C)no2)C(C)C)cc1"]
["198098877","Cc1ncsc1-c1ccc(CN=C(O)[C@@H]2C[C@@H](O)CN2C(=O)C(c2cc(OCCCN3CCC(c4cnc(N5CCN6c7cc(-c8ccccc8O)nnc7NC[C@@H]6C5)nc4)CC3)no2)C(C)C)cc1"]
["185826879","C(=Nc1ccc(-c2c[nH+]co2)cc1)c1nccs1"]
["2456084","OC(/C=C\\c1nccs1)=Nc1nc(-c2ccc3c(c2)CCO3)cs1"]
["171572251","C1=C/C(=C/C2=N/C(=C\\C3=N/C(=C\\c4ccc[nH]4)C=C3)C=C2)N=C1.Cl"]
["30216519","CC(C)CN(C(=O)c1nnn(-c2ccccc2F)c1/C=C/c1nccs1)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1"]
["174150388","C=C(/C(C)=C/C=C(\\C)CO)c1c(N=Cc2nccs2)sc(S(=O)CCCC)c1N"]
["74326891","O/N=C\\c1nccs1"]
["77133224","C1=CC(=CNn2c(-c3ccccc3)csc2=NCc2ccccc2)N=C1"]
["174182513","Cc1ncsc1-c1ccc(C(C)(C)N=C(O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](c2cc(C3CCN(C(=O)c4cc5cc(-c6ccccc6O)n[nH]c-5n4)CC3)no2)C(C)C)cc1"]
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["43610847","C.CN1C=[C-]N(c2[c-]cccc2)C1.[Rh+2]"]
["187068341","FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[2H]C([2H])([2H])N1C=[C-]N(c2[c-]c(N3[C-]=CN(C([2H])([2H])[2H])C3)cc(-c3c(C)cc(C)cc3C)c2)C1.[Pt+4]"]
["197083589","CN1C=[C-]N(C2=C=C3C(=C=C2)n2c4ccc(C(C)(C)C)cc4c4cccc(c42)N3c2[c-]c(N3CN(C)C4=C[CH-][CH-]C=C43)cc(C(C)(C)C)c2)C1.[Pt+4]"]
["172211695","CN1C=[C-]N(c2[c-]cccc2)C1.Cn1c2ccccc2c2cc3c(cc21)c1cccnc1n1[c-]ncc31.[Ir+3]"]
["13700186","CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)ccc1OC"]
["196861184","CN1C=[C-]N(C2=C=C(OC3=C=C(C4=C=C(OC5=C=C(N6[C-]=CN(C)C6)[CH-][N-]C5)C=C=N4)N=C=C3)C[N-][CH-]2)C1.[Pt].[Pt]"]
["196477334","CN1C=[C-]N(c2cccc(Oc3cccc(N4[CH-]N(C)C(C)(C)c5ccccc54)c3)c2)C1"]
["187068409","CC(C)c1cc(C(C)C)c(-c2cc(N3[C-]=CN(C)C3)[c-]c(N3[C-]=CN(C)C3)c2)c(C(C)C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4]"]
["30563165","CC(=O)CN1C2CCC1CC(OC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2.Cl"]
["56850928","C.CN1C=[C-]N(C2=C=C[C-]=C(N(c3ccccc3)c3ccccc3)C2)C1.[Rh+2]"]
["68435174","Cc1sc([C-]2SC(=c3sc(=c4sc(=C5SC(c6sc(C)c7c6OCCO7)C6=C5OCCO6)c5c4OCCO5)c4c3OCCO4)C3=C2OCCO3)c2c1OCCO2"]
["147716122","CC1S/C(=c2/s/c(=c3/s/c(=c4/s/c(=C5/SC(C)C6=C5OCCO6)c5c4OCCO5)c4c3OCCO4)c3c2OCCO3)C2=C1OCCC2"]
["90218098","Cc1c(CC#N)cc(Cl)c2c1OCCO2"]
["190150449","[C-]#[N+]/C(C)=C\\c1sc(-c2sc(C)c3c2OCCO3)c2c1OCCO2"]
["163067843","Cc1cc(C(N)C#N)c2c(c1C)OCCO2"]
["81629728","[C-]#[N+]C(C(=O)[O-])=C1[S+]=C(C=c2sc(=C3SC(c4ccc5c(c4)CCc4ccccc4N5CC)C4=C3OCCO4)c3c2OCCO3)C(=O)N1CC(=O)O"]
["164277021","Cc1sc([Si](C(C)C)(C(C)C)C(C)C)c2c1OCCO2"]
["175949423","Cc1sc(-c2sc(-c3sc(-c4sc(-c5sc(C)c6c5OCCO6)c5c4OCCO5)c4c3COCCOC4)c3c2OCCO3)c2c1OCCO2"]
["174975269","Cc1cc(SNC(C(=O)N2[CH]COC2=O)C(C)c2cc(F)cc(F)c2)sc1Cl.FC(F)F.[Sn]"]
["150016900","Cc1sc(C2=C3OCC[O+]=C3C(C3S/C(=c4/s/c(=C5/SC(c6sc(C)c7c6OCCO7)C6=C5OCCO6)c5c4OCCO5)C4=C3OCCO4)S2)c2c1OCCO2"]
["70102874","Cc1sc(C2SC(=c3sc(=c4sc(=C5SC(c6sc(C)c7c6OCCO7)C6=C5OCCO6)c5c4OCCO5)c4c3OCCO4)C3=C2OCCO3)c2c1OCCO2"]
["34329256","COCOCC1CC2=C(CCCC2)C2=C1OCCO2"]
["174108716","[B+]=c1c(=[B+])[c-](C(C)(C)C)c(=[B+])c2c1c1c(=[B+])c(=[B+])[c-](C)[c-]3c1n2[c-]1c(=[B+])c(=[B+])[c-](C)[c-](C)[c-]31"]
["173480723","[B+]=c1c(=[B+])[c-]2[c-]3c(c(=[B+])c(=[B+])[c-]4c(=O)nc(O)c1c43)c1c(=[B+])c(=[B+])[c-](C)[c-]3[c-](C)c(=[B+])c(=[B+])[c-]2[c-]13"]
["174065369","[B+]=C1C(=[B+])[c-]2[nH][c-]3[c-]([c-]2C(=[B+])[C-]1C(C)(C)C)C(=[B+])[C-](C(C)(C)C)C(=[B+])C3=[B+]"]
["20387146","COCCN(CCn1[nH+]c(C)cc1C)CC(=O)OC(C)(C)C"]
["173497687","[B+]=c1c(C)c2[c-](C)c(=[B+])c(=[B+])[c-](C)[c-]-2[c-](C)c1=[B+]"]
["175630346","[B+]=C1C(=[B+])[C-](C(C)(C)C)C(=[B+])[C-](C)[C-]1C"]
["173941899","[B+]=c1c(=[B+])c(=[B+])[c-]2[c-]([n-][c-](OCC)n2CCCCl)c1=[B+]"]
["173732970","[B+]=c1c(=[B+])c(=[B+])[c-]2[c-](c1=[B+])c(=[B+])c(=[B+])n1[c-]2[n-][c-]2c(=[B+])[c-]3[c-](c(=[B+])[c-]21)C(C)(C)C(C)(C)C3(C)C"]
["174064480","[B]=c1[c-](C(C)(C)C)c(=[B])[c-]2o[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]3[b-]3c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]4o[c-]1[c-]32"]
["174074338","[B+]=c1c(=[B+])[c-](C)[c-]2c3c1c1c(=[B+])[c-](C(C)(C)C)c(=[B+])c(=[B+])c1n3[c-]1c(=[B+])c(=[B+])[c-](C)[c-](C)[c-]21"]
["174368218","[B+]=c1c(=S([O-])([O-])=c2c(=[B+])c(=[B+])[c-](C(C)(C)C)c(=[B+])c2=[B+])c(=[B+])c(=[B+])[c-]([N+]2=C([O-])c3cc(=C([O-])c4ccc5c([O-])n(C(C)(C)C)c([O-])c5c4)ccc3=C2[O-])c1=[B+]"]
["174075541","[B+]=c1c(=[B+])c(=[B+])[c-]2[c-](s[c-]3[c-]2c(=[B+])c(=[B+])[c-]2[c-]3[c-]3[c-]4s[c-]5c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]5[c-]4c(=[B+])c(=[B+])[c-]3n2C)c1=[B+]"]
["159986512","Cc1sc2nc(CN(C)Cc3nc4c(s3)CCCC4)nc(N)c2c1C"]
["15911203","O=C(CSc1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1)c1nc2c(s1)CCCC2"]
["160754952","CC(C)n1cc(C2=CCCN(c3ncnc4sc5c(c34)CCCC5)CC2)nn1"]
["9372342","COc1c(Cl)cc(Cl)cc1/C=N/n1c(C)nc2sc(C)c(C)c2c1=O"]
["126061116","Cc1ccc(CN(C)Cc2nc(O)c3c4c(sc3n2)CCC4)s1"]
["160453406","OC(=NC1CCOC2(CCC2)C1)Nc1nc2c(s1)CCCCCC2"]
["25768989","c1ccc(CCNc2nc(-c3ccccn3)nc3sc4c(c23)CCCC4)cc1"]
["146624169","CNCCN(C)C(=O)c1cc2c(nc1O)CCCCC2"]
["42933535","CN(CC(O)=[NH+]c1cccc2ccccc12)Cc1nc(O)c2c3c(sc2n1)CCC3"]
["110179669","Cc1sc2nc(CCC(O)=Nc3cc(F)ccc3Sc3nccn3C)nc(O)c2c1C"]
["87449531","Cc1nc2c(n1CCNC1CCCC(C)C1)CCCC2"]
["49616947","CC1(C)[C@@H](C(O)=Nc2nc3c(s2)CCCC3)CC[C@@]1(C)C(=O)O"]
["117121092","CC1(C)CC2=C(/C(=N\\N=C3/CC(C)(C)CC4=C3CC3(O)CC(C)(C)CC4(C)C3)C1)C1(O)CC(C)(C)CC(C)(C2)C1"]
["103965517","Cc1ccc(S(=O)(=O)N/N=C2/CC(C)(C)CC3=C2[C@@]2(O)CC(C)(C)C[C@](C)(C3)C2)cc1"]
["109075830","CC1(C)C[C@@H]2C[C@](C)(CN2[C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)C1"]
["110732318","CC1(C)CC2=C(/C(=N/NS(=O)(=O)c3ccccc3)C1)[C@]1(O)CC(C)(C)C[C@@](C)(C2)C1"]
["77046886","Cc1c(C(=O)[O-])oc2c1C(=NNC(=N)S)CC(C)(C)C2.[K+]"]
["69101660","CC1(C)CC(O)=CC(=NN=C(O)c2ccco2)C1"]
["80392246","CC(O)=NC(C)(C)c1noc(-c2oc3c(c2C)C(=O)CC(C)(C)C3)n1"]
["104066032","CC1(C)CC(=O)C2=C(C1)C[C@@]1(C)CC(C)(C)C[C@]2(N=c2cc[nH]cc2)C1"]
["94636747","CC(C)c1nc2c(cc1C(=O)O)C(C)(C)CC(C)(C)C2"]
["162936454","CC1(C)CC(=NN=C(O)CO)C1"]
["68209120","COC12CC(C)(C)CC(C)(CC3=C1/C(=N\\O)CC(C)(C)C3)C2"]
["153742711","CC1(C)C[C@H]2C[C@@](C)(CN2[C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)C1"]
["102998823","NC1=CC=C2C(=O)C(N=Nc3ccc(-c4ccc(N=NC5=C6C=CC(=S(=O)(O)O)C=C6C=CC5=O)cc4)cc3)=C(S(=O)(=O)O)C=C2C1=NN=C1C=CC(=[N+]([O-])O)C=C1S(=O)(=O)O"]
["70176375","NC1=CC(=O)C(=NNc2ccc(Nc3ccc(N=Nc4c(S(O)(O)O)cc5c(c4N)C(=O)C(=NNc4ccccc4)C(S(=O)(=O)O)=C5)cc3S(O)(O)O)cc2)C=C1"]
["48280205","CC(O)=NC1=C(c2ccc(Cl)cc2)NC(=C2C=CC(c3cccc([N+](=O)[O-])c3)=CC2=O)O1"]
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["63985845","Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(N)c1NNc1ccc2c(c1)C=C(S(O)(O)O)/C(=N/N=C1\\C=CN=CC1=O)C2=O"]
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["49686171","O=C1C=CC(c2ccccc2)=CC1=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1"]
["147758012","CC(=O)c1cc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(O)c(C(=O)O)c4)cc3)cc2)ccc1O"]
["31275797","CCc1ccc(-c2cn(CCCN=c3ccc([N+](=O)[O-])c(N)[nH]3)cc2C(O)=N[C@H](C)CO)cc1"]
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["80128153","CC1(CC(=O)O)C(CCC(=O)O)=C2C=C3[N-]C(C=c4[n-]c(c(CCC(=O)O)c4CC(=O)O)=CC4=C(CCC(=O)O)C(CC(=O)O)C(=CC1[N-]2)[N-]4)C(CCC(=O)O)C3(C)CC(=O)O.[Fe+4]"]
["1099240","C[C@]1(CCC(=O)[O-])C2=NC(=C1CC(=O)[O-])[C@]1(C)[N-]C(=CC3=NC(=C(CCC(=O)[O-])[C@]3(C)CC(=O)[O-])C[C@]3(C)N=C(C2)C(CCC(=O)[O-])=C3CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]1(C)CC(=O)[O-].[Co+5]"]
["99906280","CC1(C)CCC2(CC1)N[C@@H](C(O)=N[C@@H]1CC[C@@H](Cc3nnco3)OC1)[C@H](c1ccnc(Cl)c1)[C@]21C(O)=Nc2cc(Cl)ccc21"]
["89651042","Cc1nc(CCC(=O)O)[nH]c1C1CCOCC1"]
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["181521104","COC1=CC(N=[N+]=[N-])C(N)(OC)C(CCC(=O)O)=C1"]
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["88086046","O=C(O)CC1c2ccccc2-c2ccc(Cl)cc21"]
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["171525467","CCOC(OCC)([Si+]CC)SSSC(OCC)(OCC)[Si-]CC"]
["95505055","CCOC(C)(C)CNCc1cc(F)ccc1Br"]
["172570793","CCOC(C)(CC[Si](F)(F)F)OCC"]
["91525652","CCOC(OCC)[Si+]C1CCCC([Si-]C(OCC)OCC)C1"]
["125462208","CCOC(=O)CN(C)C(=O)CSC(F)(F)F"]
["91924702","CCOC(CC)(CC)C(O)Cc1ccc(C)cc1"]
["171524888","CC[Si+]C(CCCSSSSCCCC(OC)(OC)[Si-]CC)(OC)OC"]
["100991212","C=C(C)CC(Br)C(=O)OCC"]
["95081214","CCCOCC(NN)C(C)(CC)OCC"]
["78256295","CCOC(O[SiH3])(OCC)N(C(C)C)C(C)C"]
["79117687","CCOC(CC)(OCC)N(CC)CC"]
["91504386","CCOC(F)(F)C(O)C(F)(F)F.CCOC(F)(F)C(O)C(F)(F)F.O=S(O)O"]
["173126431","[O-][C+]1[N-]C#SS1.[Y]"]
["70089672","C=c1c(Cl)c2c([n-][c+]1[O-])=S=C=C2C.[Y]"]
["181203915","C1#SCC[N-]1"]
["185690881","O=C(O)C1=C=C[C+]([O-])[N-]1"]
["185297929","[O-][C+]1N=C=N[N-]1"]
["179938018","[O-][C+]1CSC(=S=IS)[N-]1"]
["182144659","C1#SCC[N-]1.[Li+]"]
["179270282","CC[S-].[O-][C+]1CS#C[N-]1.[U+2]"]
["174558841","[O-][C+]1CS#C[N-]1.[Re]"]
["61668229","C1#SC=C[N-]1.[Y]"]
["99560260","C1#SN=C[N-]1.[Cu+]"]
["173066357","[Lu+3].[O-][Si]([O-])([O-])OO.[Y]"]
["171931109","FC(F)(F)C1=C(C(F)(F)F)[C+](C(F)(F)F)C=CC1=[Si-]c1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F"]
["61408194","N#Cc1c(C(F)(F)F)ccn2ccnc12"]
["101122212","O=[PH](c1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(C(F)(F)F)ccc1C(F)(F)F"]
["87038585","Cc1nc(Nc2ccc(C(F)(F)F)c(C(=N)S)c2)sc1C"]
["78927532","Fc1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1"]
["55161960","FC(F)c1cc(Cl)ccc1C(F)(F)F"]
["192555013","Cc1cc(-c2cccc[n+]2C)c(C)c(C(F)(F)F)c1"]
["171336844","COC(O)=NCc1c(C(F)(F)F)cc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F"]
["MCULE-8803058499","Oc1nc(Nc2ccccc2C(F)(F)F)nc2ccccc12"]
["192862608","N=c1[nH]c(C(F)(F)F)cc(=O)n1-c1ccccc1"]
["61677956","CC(O)c1ccc(C(F)(F)F)c(F)c1C(F)(F)F"]
["178090496","CC1=CC(C(F)(F)F)[C@H](c2ccc(C)cc2C(F)(F)F)C=C1"]
["173677978","[B]=BB=BB=PC"]
["173966223","[B]=BB=BN"]
["185395746","[B]=BB=BB=BB=BB(Br)Br"]
["173489552","[B]=BB=BB=BCCC"]
["164043009","CP=BI"]
["173650640","[B]=BN(C(C)C)C(C)C"]
["26173456","[CH2]N(CC)CC(C)C"]
["55172429","[B]=BB(N(C)c1nc(C)nc(N(C)C)n1)N(C)c1nc(C)nc(N(C)C)n1"]
["57319037","[B]=BB=BCC"]
["173651208","[B]=BB=BB=BB=BB=BB=BSCCC#N"]
["174105634","[B]=BB=BB=BB=BB=BCC(=O)O"]
["154719237","CP=S=BI"]
["73919460","[N-]=N[N]C(O)[C@H]1[O+]=C[C@H](O)[C@@H](O)[C@H]1O"]
["170825583","[N-]=[N+]=NCC(O)C(O)c1cc(Cl)ccc1Cl"]
["81500050","OC(O)C1OCC(O)C(O)C1O"]
["75239314","[N-]=N[N]CC(O)=N[C@H]1C=[O+][C@H](CO)[C@H](O)[C@@H]1O"]
["101807883","Cc1cc2nc3n(c2cc1C)C(N=C(O)[C@@H](O)CC1CCCC1)(C(F)(F)F)C(O)=N3"]
["164064982","CCN=C(S)NC(CNC1C=CC(O)C(O)C1O)C(O)CC(O)CC"]
["148421577","CCCC(N[C@@H](C)C(=O)O)C1CCCC1"]
["74817733","OC(O)[C@H]1O[CH][C@H](O)[C@@H]1O"]
["179053487","[Al+].[N-]=Nc1ncc(O)cc1COP(=O)(O)O"]
["941261","CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CN=[N+]=[N-])OC(C(=O)O)=C[C@@H]1O"]
["173554760","CN(C)C[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O"]
["1552000","Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)O2"]
["66095542","CC1=C(C)C2C(N=NN2C)C(C)=C1c1c(C)c(-c2c(C)c(C)c3c(nnn3C)c2C)c(C)c(-c2c(C)c(C)c3c(nnn3C)c2C)c1C"]
["87716247","Cc1ccc(-c2c(C(=O)O)nnn2C)cc1"]
["154140092","CC[C@H](NS(=O)(=O)c1cccc2c1nnn2C)[C@H]1C[C@@H](O)C1"]
["82008033","CC1=NC(N2CCN(C)CC2)=NC(=O)C1Br"]
["100737427","Cc1ccc(C(CC(=O)OC[C@@H]2CCCN2C)c2ccc3c(nnn3C)c2C)cc1CN1CCN(C)c2ccccc2S1(=O)=O"]
["149700083","CC1=C(C)C2Oc3c(C)c(C)c(C)c(C)c3[NH+]=C2C2=C1C(=O)c1c(C)c(C)c(C)c(C)c1C2=O"]
["164443072","CC1=C(Cl)C(C(O)=Nc2nnnn2C)NN(C)C1=O"]
["5176028","CCOC(=O)CN=C(O)Cc1c(C)nn(C)c1C"]
["147879843","Cn1c(CN)nnc1SCC(O)C1CC1"]
["200044084","CN1N=C(F)C2N=C(Cl)N=C(O)C21"]
["200286513","Cc1c(Br)cc(OCc2ccccc2)c2c1nnn2C"]
["169713327","Cc1c(Cc2ccc3c(c2)[C@H](O)CC3)ccc2c1nnn2C"]
["33779749","[C-]#C[CH-]CC(C#[C-])C[CH+]CCl.[Li+].[Li+]"]
["180992251","ClCCC(Cl)(Cl)C(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl"]
["79213228","CC(C)C(CCCl)(O[SiH3])C(C)C"]
["26102482","[C-]#CC([CH2])[CH2+]"]
["49501932","[C-]#CC(CCC)OC(C)(C)C.[Li+]"]
["43760477","[C-]#CC[O-].[Li+].[Li+]"]
["91249422","OCOCC[CH+]CCl"]
["25173042","[C-]#CCC([CH2])[CH2+]"]
["184362334","CCC(CC)C1C#CCC2CC21"]
["101026642","CC=[C]C[N+]1([CH-]C(C)C)CCCC1.[Li+]"]
["60917282","[C-]#CC(OCC)OCC.[Li+]"]
["161730643","[C-]#C[CH+]C.[Ru+]"]
["168500596","Cl[Si-]12=[Si+][Si-]3(Cl)=[Si+][Si-](Cl)(=[Si+]1)[Si-][Si-](Cl)(=[Si+]3)[Si+]2"]
["168500597","I[Si-]12=[Si+][Si-]3(I)=[Si+][Si-](I)(=[Si+]1)[Si-][Si-](I)(=[Si+]3)[Si+]2"]
["168500598","F[Si-]12=[Si+][Si-]3(F)=[Si+][Si-](F)(=[Si+]1)[Si-][Si-](F)(=[Si+]3)[Si+]2"]
["168500599","Br[Si-]12=[Si+][Si-]3(Br)=[Si+][Si-](Br)(=[Si+]1)[Si-][Si-](Br)(=[Si+]3)[Si+]2"]
["61552433","CCCC[Si-]1(Cl)=[Si+]CCCC1"]
["185529742","[CH+]=[C+]COP[O-]"]
["181576421","CC(COP[O-])C1=CC=C[CH+]C1=[F+]"]
["183157867","[O-]POCCCCCC(Cl)(Cl)Cl"]
["173359503","O=C1[CH+][C+](COP[O-])C(O)O1"]
["102923078","COP([O-])C[C@@H](O)C(C)(C)C"]
["185696215","[O-]POF"]
["172773192","C=COP[O-].[Mg+2]"]
["173200438","[CH2+][CH+]C(F)OP[O-].[Er]"]
["185539438","[O-]POC1=CC(=[Cl+])C(=[Cl+])C=C1"]
["25998412","CCOPCC"]
["174920849","[B+]OP([O-])O[B+].[H-].[K+]"]
["172685182","[Li+].[Li+].[O-]POP[O-]"]
["185743972","C[SiH2]CO[SiH2]OC[SiH2]COC[Si](C)(C)C"]
["43129123","C[Si](C)(C)COCc1cccc(Oc2ccccc2)c1"]
["59103812","COc1ccccc1CC(C)NC1CCOC(C(C)C)C1"]
["98504253","C=C(C)C(=O)CCOC[SiH2]C.N=C=O"]
["166516865","CC(C)(C)OC(O)=NCc1coc(N=C(O)OC(C)(C)C)n1"]
["99042525","C=C(C)C(=O)CCOC[SiH2]C"]
["53249893","CC/C(C)=N/OC[Si](C)(C)C"]
["162340656","CCO[SiH2]OCC.Cl"]
["172704244","C[SiH2]CCCCCCCCCC[Si](C)(C)OC(C)O[Si](C(C)C)(C(C)C)C(C)C"]
["135355935","COc1cc(C)c(C(=O)N2CCN(Cc3cc(C)on3)CC2)cc1OC"]
["85277810","Clc1ncc(COCCc2ccccn2)s1"]
["191372511","CCOCC[Si](C)(C)O[SiH3]"]
["57887471","[P]P(#P)P(#P)P(#P)P(#P)P(#P)P(=P)=P"]
["62470757","[P]P(#P)P(#P)P(#P)P(=P)=P"]
["66153391","[P]P(#P)P(#P)P=P"]
["63378319","[P]P(=P)=P"]
["66390168","[P]P(#P)P(#P)P(#P)P(#P)P(=P)=P"]
["78548117","CC#S(=P)P(#P)CC"]
["56407050","[P]P(#P)P(=P)=P"]
["60125863","[P]P(#P)P(#P)P(#P)P(#P)P(#P)P(#P)P=P"]
["99790129","CSP(#P)P(#P)[P+]#P"]
["148710187","COP(#P)P=P(N)=P"]
["173558383","FSP(#P)P(#P)[P+]#P"]
["68781483","[P]P(#P)P(#P)P(=P)=P"]
["178135068","C=[C-]C12C(=C)[I+]C1N1c3ccccc3N3c4ccccc4-c4cccc2c4C31"]
["194328580","O=C1CC(c2cccc(-c3ccc4c(c3)-c3ccccc3N3B4c4ccc(-c5ccccc5)cc4-c4ccccc43)c2)C(=O)N1Br"]
["190195232","C[C@H](CC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(O)=N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21"]
["76009751","CC(CCC(O)=N[C@@H](C)C(O)=NN1C(=O)C(C)c2ccccc2-c2ccccc21)=NO"]
["196454679","CN1C(=O)[C@](C)(C[Se]c2ccccc2)c2ccccc21"]
["97299891","CCCCN=C(O)NC1(CCCC)C(=O)c2ccccc2N(C)C1=O"]
["33917246","O=C1/C(=C\\c2ccccc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl"]
["45907057","CCC1C2CC3CC4(CO)c5ccccc5N(C)C4C(C2)N3C1O"]
["34746146","Cc1ccc(C2N(C)c3ccccc3C(=O)N2c2ccccc2F)s1"]
["176553903","Cc1cccc2c1-c1ccccc1C21c2ccccc2N2c3c(cccc31)NC2c1ccccc1"]
["14837291","COc1ccccc1N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1"]
["196500780","CC12c3ccccc3-c3cccc(c31)-n1ccnc1-c1ccccc12"]
["68318230","BrC1C(Br)(Br)C(Br)(Br)C(Br)(Br)C2(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C12Br"]
["5712891","C[C@@H]1C(C)(C)[C@]23C[C@]12C1(OCCO1)[C@H]3Br"]
["84136339","CC12CCCCC1C2(Br)Br"]
["161721151","CC(c1ccccc1)C1(Br)C(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C1(Br)Br"]
["183468483","[N-]=[N+]=NC1(Br)C=CC(Br)C(Br)(Br)C1(Br)Br"]
["22885066","CC1(C)C(O)C2(Br)CCC1(C)C2Br"]
["171790665","BrC1C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C1(Br)CCCc1ccccc1"]
["103986568","CC1(C)[C@@H](Cl)C1(Br)Br"]
["148818215","[O]C1(Br)C(Br)(Br)C2(Br)C(Br)(Br)C(Br)(Br)C1(C(Br)(Br)Br)C2(C(Br)(Br)Br)C(Br)(Br)Br"]
["164506925","C[C@H]1C(C)(Br)C1(Br)Br"]
["24985897","BrC1(Br)C(Br)(Br)C(Br)(Br)C2(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C2(Br)C1(Br)Br"]
["83932408","BrC1(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C1(Br)Br"]
["175833800","[Al].[Al].[C+]1=CN=[C-]N1"]
["96575919","C1=N[Te][Te]N1"]
["6001507","O=C(Cl)c1n[nH]cc1Cl"]
["100856161","c1c[nH][cH+]cn1"]
["184225432","COc1n[nH]cc1C(C)I"]
["185789600","[Zr].[c-]1cc[nH]n1"]
["179282015","OC1CCC(C2N=[C+]N[C-]=N2)C(O)C1.[Al].[Al]"]
["99440220","[C+]1=CC=CCN1"]
["178119217","ClC1=CC=C(Cl)[NH2+]N1"]
["174300968","CC.ClC1=C2CCN=C2NC=C1"]
["172781224","[B]1CCN=CN1"]
["78997941","BrC1[CH+]N[C-]=N1"]
["168519445","N1[Ge]N[Ge-]N[Ge+]1"]
["102940175","CC1(C)[Ge+]C(C)(C)[Ge-]1"]
["83057104","N1[Si-]=[O+][Si][O+]=[Si-]1"]
["168519446","N1[Ge+]N[Ge-]1"]
["168477949","[Ge]1C2[Ge+]C1[Ge-]2"]
["78425610","O=S=S=S=S=S=S=S=S=S=PP(P=S)P=S"]
["66792085","O=S(=O)(SC(Cl)(Cl)Cl)C(Cl)Cl"]
["191252828","CN(C)C(=O)C(Cl)Cl.ClSCl"]
["187574663","[CH2-]C(C)CSP=S.[K+]"]
["193577225","ClC(Cl)SC(Cl)Cl.O=S(=O)(Br)Br"]
["167334782","CSC(C(=O)C(Cl)Cl)S(C)=O"]
["46926749","S=PP=S=S=S=S"]
["164099984","O=S=S=S=S=S=S=S=S=S=S=S"]
["78600135","PPP(P)P=S=S=PP=S"]
["61981232","PP(P)P=S"]
["193340751","O=c1c2ccccc2ccc2ccccc12.S=PP(P=S)P=S=S=S=S=S=S=S=S.S=c1c2ccccc2ccc2ccccc12"]
["193683437","CCc1ccc(S(=O)(=O)N2CCC(N(C(=O)c3ccccc3Cl)c3ccc(CO)cc3)CC2)cc1.CCc1ccc(S(=O)(=O)N2CCC(N(C(=S)c3ccccc3Cl)c3ccc(CO)cc3)CC2)cc1.S=PP(P=S)P=S=S=S=S=S=S=S=S"]
["114065801","O=S1(=O)CCC(S(=O)(=O)NC2CCCNCC2)C1"]
["92617170","CC(CS(C)=O)N=C(O)N(CC(=O)O)C1CCS(=O)(=O)C1"]
["154959400","O=S1(=O)CCC[C@@H](N=C(O)c2cc(F)c(F)c(F)c2)C1"]
["113522328","CCCOCCC(=O)N(CC1CCCNC1)C(C)C"]
["120683941","CN1CCCC(CN(C)CC2CCNCC2)C1"]
["146554135","CCC(=O)c1ccc(C(=O)N[C@H]2CCCNC2)cc1"]
["151669382","Cc1nccn1[C@@H](C)CC(=O)N1CCC(NS(C)(=O)=O)CC1"]
["157467143","COc1cc(S(=O)(=O)N[C@H]2CCN[C@H](C)C2)ccc1Br"]
["CSSS00086212915","O=S1(=O)CCC(c2noc(-c3oc4ccccc4c3Br)n2)C1"]
["190058682","COc1cc(C(=O)OC2CCCOc3cc(cc(OC)c3OC)C(=O)OCCCNCCCNCC2)cc(OC)c1OC"]
["74608165","O=S(=O)(C1CCCN1)N(C1CC1)[C@@H]1[C]C1"]
["157271806","C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1"]
["175968269","C1=[As]SC=C1C1=C(C2=CS[As]=C2)S[As]=C1"]
["74480659","C1=NSC(=C2N=C[N]S2)N=1"]
["97416124","O=C(c1ccccc1)C(CSc1ccccc1)[N+](=O)O"]
["73765464","C=CCSC1=CSSN1"]
["161753514","[CH]1C=CC=[As]S1"]
["28285366","CCCS(=O)(=O)N=C(O)Cc1cc(Cl)cc(Oc2ccc(S(C)(=O)=O)cc2Cl)c1"]
["188246921","CC1=CSN=CN=C1C"]
["167103164","C1=C2CONC2CS1"]
["198281832","C[p+]1csc(C#N)c1"]
["167414255","OC(CSc1ccccc1)CC(O)CSc1ccccc1"]
["91544933","c1cc2cc(c1)SCSc1cccc(c1)SCSc1cccc(c1)SCSc1cccc(c1)SCSc1cccc(c1)SCS2"]
["26536565","N=c1[nH]c2ccc3c(c2s1)OC(F)(F)C(F)(F)O3"]
["23719383","C1=CC2C3C=CC1C1C4C=CC5C6C=CC(C5C4C1C23)C1C6C2C3C=CC4C(C=C3)C4C21"]
["50537207","OC1[C@H]2C=C[C@@H]1[C@@H]1C3C=CC(C=C3)[C@@H]12"]
["178237182","Cc1n[nH]c2c1=CC1C(C=2)C1C1C=C1"]
["108939591","O=C[C@@H]1C2C=C[C@H]3C1[C@@H]3C=C2"]
["109464804","C1=C[C@H]2C3C4[C@@H](CC[C@@H]42)[C@@H]13"]
["26090851","C1=CC2C3C1C23"]
["60284080","NC1[C@H]2C=CC3C=C[C@@H]1C32"]
["102055202","Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3C=C[C@@H]4C=C[C@@H]2[C@@H]43)cc1"]
["154211642","O=C(O)C[C@@H]1C[C@@H]2[C@@H]3C[C@H](CC(=O)O)[C@@H]4[C@@H]5C=C[C@@H]6[C@@H]5[C@H]([C@@H]2[C@H]16)[C@H]34"]
["154273132","C1=C[C@@H]2[C@@H]3CC[C@@H]4[C@@H]5CC[C@@H]6[C@@H]1[C@H]2[C@H]([C@@H]43)[C@@H]65"]
["96776674","CC1(C)O[C@H]2[C@H]3C=C[C@@H]4[C@H]3[C@@H]4[C@H]2O1"]
["22858554","COC(=O)[C@@H]1C2C3C4C=CC5C4C2C(C53)[C@H]1C(=O)OC"]
["175689859","O=[AsH](O)[As]=[As][AsH][AsH][AsH][AsH][AsH][AsH][AsH2]"]
["174919606","CC.O=[AsH](O)O"]
["176358869","CC(=O)[AsH](=O)O"]
["78155475","O=[AsH](O)O.[H].[Rb]"]
["183055260","[N-]=[N+]=N[As]=[As][AsH][AsH][AsH][AsH2]"]
["174766840","F.O=[AsH](O)O"]
["101723566","O=[AsH](O)O.[Ca+2]"]
["101723571","O=[AsH](O)O.[Sn]"]
["27202802","O=[AsH]([O-])O"]
["174362389","CO[AsH](=O)O.[Zn]"]
["175917941","O=[AsH]=[As][AsH][AsH][AsH][AsH][AsH][AsH][AsH2]"]
["171038866","[AsH2][AsH][AsH][AsH][AsH][AsH][AsH][AsH2]"]
["173072263","N1=NC2(N=N2)C2(N=N2)O1"]
["60481271","OCC12C=CC=CC1(CO)O2"]
["75844699","PO[PH]12OC(O1)O2"]
["175363776","CC(C)N(C(C)C)N([Si](C)(C)C)[Si](C)(C)C.[H-].[Rb+]"]
["73477693","[C]1=NOC2(C1)CCCCC2"]
["185310910","CC1(C)N=NOC1(C)C"]
["163453522","CN1C=CSC12N=NO2"]
["100934095","COC1(SC)N=NC(C)(C)O1"]
["171907332","COC1(OC)N=NOC1(OC)OC"]
["167244748","COC(OC)C1([Si](C)(C)C)CO1"]
["27130694","CC1(C=O)N=NOS1"]
["79164083","C=C1N[N]C=C1C"]
["182802830","NC1=C(N)[C+](N)C(N)=C(N)C1=[Si-]"]
["75322543","NC1=C=C[C+](N)C=[C-]1"]
["184075602","CC1=C(N(C)C)C(=[Si-])C(N(C)C)=C[C+]1N(C)C"]
["68093502","CC1=C[CH+]C(N)=CC1=[Si-]"]
["195791544","NC1=C(N)C(N)=C(N)C1"]
["183110461","NC1=C(N)C(O)=NOO1"]
["195279537","N=C1C(N)=C(N)C(N)=C1O"]
["90954493","NC1=C(N)C1=C1C(N)=C1N"]
["26531958","NC1=C(N)C(=O)C(N)=C(N)C1=O"]
["91315742","[Se]=c1sc(I)c(I)[se]1"]
["78951681","NC1=N[N]N=N1.[Cu]"]
["44403441","Nc1ccc([O-])cc1.[Na+].[Na+]"]
["184301697","OCCN(CCO)C(=S)SSCCCCCCSSC(=S)[NH+](CCO)CCO"]
["183384629","CC=CN(CC)CCO"]
["174447635","CCC.CCCCCCCCCCCCCCSSC(C)=O.Cl"]
["150367968","CCN(CC)C(=S)SSC(S)N(CC)CC"]
["199844392","CCCCSSSSSSSCCCCSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCSSSS"]
["25403354","O=C(CCCO)N(CCO)CCO"]
["106099329","Cc1cc(C)c2c(c1)OC(C)(C)[C@@H](N(CCO)CCO)[C@@H]2O"]
["62592022","C#CC(=O)N(CCC)CCO"]
["148608074","CCN(CC)C(=O)SSC(=S)N(CC)CC"]
["112123364","O=C(C1COCCO1)N(CCO)CC(F)(F)F"]
["114372527","CC(C(=N)S)C(=O)N(CCO)CC(F)(F)F"]
["193871282","CCCCCCCCCCCCCCCCCC[NH+](CCO)CCCCCCCCCCCCCCCCCC"]
["79393995","FC/C=C/OC[CH]O/C=C/CCl"]
["87155269","OC(=NC/C=C/CCl)C1C2CCCC21"]
["86941699","COc1ccc(C(O)=NC/C=C/CCl)c(OC)c1OC"]
["185892744","CC/C(O)=C(Br)\\C=C/CCl"]
["175559034","CC(C=CCCl)C(F)(F)F"]
["79127151","CC(C)(O)C/C=C/O/C=C/CC(C)(C)O"]
["79341299","CC(C)(C)OC(=O)COC/C=C\\CCl"]
["173218188","C/C=C/OCCl"]
["99446675","C/C=C/OC/C=C/N"]
["97294675","C=COC/C=C/CCC"]
["99676307","Cl/C=C/C/C=C/O/C=C/C/C=C/Cl"]
["174165278","NCCCS(=O)CC=CCCl"]
["78404234","B/C=C(\\CB)B(CB)CB"]
["78526395","B/C=C(\\N)C(O)=NC"]
["174141502","CC(C)CCN(O)CC(C)O"]
["97984630","BC/C(C)=C/C1=C(F)C(Br)=N1"]
["79814161","[CH2-]CCC=S.[Na+]"]
["24689724","CCCN(CCC)C(=O)/C=C\\C(=O)O"]
["97068908","OC[P](CO)(CO)CO"]
["174114260","CCC(C)C(C)=N/C=C(\\C)B(O)O"]
["79575689","C=CCP.OB(O)O"]
["170328586","BCCBC=CC"]
["187484030","BCC(=C)S"]
["180172265","OC(/C=C/CBr)=C1CC1"]
["184138300","OC1=[C-]CC2C[I+]C(O)=NCC2=[C-]1"]
["88838537","NC(c1nnc(C2CC2)o1)c1ccc(O)cc1Cl"]
["156961399","C[C@@H]1C[C@H]1N1C(=O)CN=C1O"]
["26225130","OCCC1CCCCN=C1O"]
["185611854","N=C1CN=C(C2CCCC2)c2cc(Br)c(Cl)cc2N1"]
["147799995","OC1=NCC(SCc2ccc(Cl)cn2)CC1O"]
["14670535","N=C(O)c1cnc(N[C@@H]2CCCN=C2O)c(Cl)c1"]
["84850594","CN(CCO)c1cc2c(cc1Cl)C(O)C(O)=N2"]
["MCULE-7269359014","CC(C)c1ccc(C(C2CC2)n2nc(C3CC3)c(CO)c2Cl)cc1"]
["180263326","[O-]C1C[C-]=C(C2CCCC2)C[I+]1"]
["51429808","OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CN=C(O)CO1"]
["105586817","C[C@H](N[C@@H]1CCCN=C1O)c1ccc(Cl)c(Cl)c1"]
["97337544","[N]CC[N+2](CC[N+])CC[N+]"]
["78256943","CCCC[N].[Al].[H]"]
["97675404","C[N+2]CCCCC[N]"]
["97907575","[N]CC[S+]=[S+]CC[N]"]
["79530916","O=CCBCCl"]
["97588848","[N]CCCNCCC[N]"]
["79098266","[N]CCF"]
["97230525","[N]CCCC[N+2]CCC[N+]"]
["97731094","[N]CC[N+2]CCO"]
["161880473","CCC[N].[Rh]"]
["97809441","CC[O+]CC[N]"]
["97465697","[N]CCC[N+2]CC[N+]"]
["172888723","O=S(=O)=C=NN=S(=O)=O"]
["76087864","O=S(=O)=NN=C(O)Cc1ccccc1"]
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["112972607","CCCC(C)(C)NS(=O)(=O)c1ccc(CNCC)s1"]
["181862032","O=[N+]([O-])C1([N+](=O)[O-])C=CC=C1"]
["97653923","C1=CC23C=CC=CC2(C=C1)[SiH2]3"]
["50756362","COC1(Cl)C=CC=CN1"]
["192110339","CC12[C-]=CC=CC1([O-])S2.[Ca+2]"]
["175778793","CC1(C)C=CC=COB(OB2OC=CC=CC(C)(C)CO2)OC1"]
["193632767","CCC(C)(C)C12C=CC=CC1(O)S2.[Al]"]
["172105369","NPP[P-]N=[P-].[K+].[K+]"]
["174479192","C[N+](C)(C)PN"]
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["174255244","NN=C1CC=CC(O)C1"]
["79437089","NPPN.[Ru]"]
["177175271","[C+]#CN=NC#[C-].[Ga].[Ga]"]
["56667382","NN=C1NNC(=NN)NN1"]
["174479191","C[N+](C)(C)PN.[B]"]
["45255312","[N-]=[N+]=NPN"]
["51065061","N[C-](N=O)N=O.[K+]"]
["97695420","[C+]#CN=[P-]"]
["50861795","NPOPN"]
["96510666","[C+]1[C@H]2[C+][C@@H]3[C-][C@@H]([C+][C@H]1[CH+]3)[CH+]2"]
["97349615","PC1CC[C+]CC1"]
["16616565","CC(O)=NCCCN=C(O)C1CCN(C(=O)C(F)(F)F)CC1"]
["117500002","O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCOC1"]
["117499641","O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCCOC1"]
["89543635","CC(C)c1[nH]nc(C2CCNC2)c1Cl"]
["120487352","NC1C2CCN(CC2)C1C1CC1"]
["88987526","[C-]#[N+]Cc1c(Cl)n[nH]c1C1CC1"]
["97134432","[C+]1[C@@H]2CCC[C@H]12"]
["100294281","N=CCC1S[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]
["179393318","CC1CCCC(C(C)I)(C(F)(F)F)C1"]
["180201153","CC1N=C(c2ccccc2)[N-]C(c2ccccc2)=N1"]
["75381981","[O-]C1=C=C2[O+]=C2C2=C1O2"]
["54274319","CC(=O)O.CO[C]1C=C(C=O)C=C=C1[O-].[Hg+]"]
["74150872","O=c1[c+]c2c(o1)=C=C([O-])O2"]
["26199176","N#CC1=C=C[CH]O1"]
["178734848","C1=C2CCC=1O2"]
["171098373","CC1=C(I)C(=O)OC1=O"]
["78587589","CC1=C=C=C(C)O1"]
["179425400","CC1=COCC2=C=C21"]
["85508164","CC12CC3CC(C)(C1)CC(Cc1o[nH]c(=N)c1I)(C3)C2"]
["196535383","[O-]C1=CC=C([O-])[N+]1=P"]
["75679148","C[C]1OC(Cl)=C=C1C"]
["173147918","CC1=B[C]([O-])I=N1"]
["166831862","B1NB2NBN3BNBN4BNB(N1)N2B34"]
["79345767","C[Si](Cl)(Cl)CB1N(C[Si](C)(Cl)Cl)BNBN1C[Si](C)(Cl)Cl"]
["25650368","CN1BNBNB1"]
["79952050","NB1NBNB(N)N1"]
["194456876","B1NBNB(N2C=CN(B3NBNBN3)C2)N1"]
["79473957","BN1BNBNB1"]
["25245905","CCN1BNBN(CC)B1"]
["24889547","CN1BNBN(C)B1"]
["164482894","BNB1NBN1"]
["79572817","CC(C)B(N)B1N(B(N)C(C)C)BNBN1B(N)C(C)C"]
["78575750","C=CCN1BNBNB1C=C"]
["25722241","CC(C)N1BNBNB1"]
["59963096","C1=C2CC=C3CC4=[N+]5C(=CC4)C=C4CC=C6Cc7ccc1n7[C@]5(N23)N46"]
["83096012","O=C1C=CC(=C2CCC3C4C(CCC5CNCNN53)CNC24)C(Cl)=C1"]
["69603520","C1=C2Cc3cccc4c3C35c6c(cccc6CC(C1)N23)Cc1ccc(n15)C4"]
["60522840","CC1=NC2=[N+]3C(=NC4=[N+]5C(=Nc6ccc7n6[C@@]35N1C(C)=N7)CC4)CC2"]
["50956384","O=C1Cc2cc(C(Cl)c3c(Cl)cccc3Cl)c(Cl)cc2N1"]
["MCULE-3614128355","O=C1C(NCc2ccccc2Cl)=C(c2ccc(Cl)c(Cl)c2)C(=O)N1C12CC3CC(CC(C3)C1)C2"]
["175846736","CC1(c2ccc(Cl)c3ccoc23)Oc2cccc(C3=CCN=CC3)c2O1"]
["88002048","Cc1c(Cl)ccc2c1N(C)C(=O)C2(C)C"]
["63549496","Cn1ccc(=O)n(Cc2nc(NN)ccc2Cl)c1=O"]
["56206167","C1=C2SC3CC34Oc3cccc(c3N24)C1"]
["64706927","c1cc2c3c(c1)CC1CCC4Cc5cccc6c5CC(C3)(N14)n1c(ccc1C6)C2"]
["150688004","CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1(C)Cl"]
["174241620","[B+]C(C1=C([S-])C2=C(CC1)OCO2)C([B+])(C)c1c([O-])c(S)c(S)c(S)c1S"]
["195963032","CNCC1=CC2=C(CC1)OCO2"]
["184940556","CC(C)([O-])C(C)(C)O.[B+]=C1CCNC12COC2"]
["184501231","CC1=C2OCOC2=C=C=C1"]
["149778961","O=CC1=CCCC2=C1OCO2"]
["145020480","O=C(O)C1=C/C(=C2/C(=O)C(Cl)=CC3=C2OCO3)NO1"]
["182486578","CC(C)(C)c1c([O-])c(S)c(C(C)(C)C)c(P(=O)([O-])O)c1S"]
["82995953","N#CC1CNC2SC(C(=O)O)=C3N=C(O)N(C4=C(Cl)CCC5=C4OCO5)C1C32"]
["105996492","CC(C)(C)[C@@H](O)c1ccc2c(c1)[C@@H](N=C(O)C1CC1)CCO2"]
["184566026","CC1=C(CC(C)(S)C2=CCCC=C2)C1"]
["117276813","Cc1cccc2c1OCCC(N=C(O)C(C)(C)N)C2=O"]
["186171389","Cc1cc(CN2CCN(c3cc(C(C)(C)C)nc(C4CC4)n3)CC2)no1"]
["170642186","N#CC(=C=N)/C(C#N)=C\\c1nc2c(C#N)c(C#N)nc3c(C#N)c(C#N)c1n23"]
["83719005","Cc1cc(C=C(C#N)C(=O)OCC(=O)c2cccs2)c(C)n1CC(C)C"]
["50020232","CCCN=C(O)/C(C#N)=C\\c1cc(Br)c(O)c(OCC)c1"]
["169185039","Cc1ccc(/C=C(/C#N)C(=N)O)c(O)c1C"]
["173984080","CC[C@@H](C)C(=O)OCc1c(C)noc1-c1ccc(O)c(C#N)n1"]
["43781171","Cc1nn(C)c(NCC(=N)O)c1C#N"]
["160522360","N#Cc1ncccc1S(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1"]
["150852883","COc1cc(/C=C(/C#N)C(=N)S)ccc1OC(F)F"]
["32305578","CCCCC(C)COc1cc(/C(C#N)=C/c2ccc(Br)s2)c(OC)cc1/C(C#N)=C/c1ccc(Br)s1"]
["MCULE-4591314231","N#Cc1c(C(F)F)nn2c(=N)[nH]cnc12"]
["15290903","COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N"]
["139819428","CC(C)c1ccc(C=C(C#N)C(=O)C2CC2C)cc1"]
["184403627","C[C@@H]1C(C[C@H]2[C@H](C)C(C[C@@H]3[C@@H](C)CCN3CCO)CN2CCO)CN(CCO)[C@@H]1C"]
["47676424","CC1CCN(C(=O)CSC(C)CCO)CC1"]
["65609534","CC(C)c1noc(N2CCC([C@H]3C[C@@H]3CCO)CC2)n1"]
["156522080","C[C@@H]1CN(C(=O)CBr)CC[C@H]1O"]
["158719931","CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](C)[C@@H](OC)C1"]
["156825870","CC#CCCN1C[C@@H](O)C[C@@H]1C(=O)O"]
["190309503","I.OCCN1CN(CCO)CN(CCO)C1"]
["143184957","CC1CCN(CN2C(=O)C(=O)N(C)C2=O)C1C"]
["168246609","CC(C)CCn1c(O)c(N=NC(=O)C[C@@H]2CCS(=O)(=O)C2)c2ccccc21"]
["70563340","CCC1CN(CCO)C(C)CN1C(=O)OC1(C2COCC(CC3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1"]
["158668128","C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](C)[C@H]2CO)CC(O)=N1"]
["58836500","CC1CN(C(=O)C2CCCCC2CN)CCN1C"]
["177183389","FC1CC(F)C(C(F)(F)OC2CCC(C3CCC(OC(F)(F)F)C(F)C3)CC2)C(F)C1"]
["45613969","CC(CC1C2CCC(C2)C1(F)C(F)C(F)(F)F)C(=O)OC(C)(C)C"]
["171171233","CCCCCCCC1CCC(C2CCC3CC(c4ccc(C)c(F)c4)CCC3C2)CC1"]
["179499938","C=CCC1CCC(C2CCC(C3CCC(CC)CC3)CC2)CC1F"]
["173384676","COC1CCC2CC(C3CCC(O)CC3)CCC2C1"]
["184758889","C=C(C1CCC(C2CCCC(CC(=O)C3CC(C)(F)C3)C2)CC1)N1CCN(C(=O)C2(C)CC2)CC1"]
["166440314","C=C/C(=C\\C=C(/C)C1CCC(C2CCC(CC)CC2)CC1)OC(F)(F)F"]
["179924189","COC1CC(O)C(N=CC2CCC3CCC3C2)CC1N(C)CC1CCC2CCC2C1"]
["181640346","CC=COC1CCCC(C2CCCCCC2)CC1"]
["181186435","CC(O)(NC1CCCC(OC(F)(F)F)C1)C(F)(F)F"]
["177143968","CCCCCCCCOC(=O)C1CCC(C2CCC(OC(=O)C3CCC(CCCCCC)C(C(F)(F)F)C3)CC2)CC1"]
["31659067","CCCCCC1COC(C2CCC(C(F)(F)OC3CCC(c4ccc(-c5ccc(F)c(F)c5)c(F)c4)CC3)CC2)OC1"]
["91502293","[Si-]C[Si+]C[Si-]C[Si+]C[Si-]C[Si+]C[Si-]C[Si+]C[Si]1C[Si+]C[Si-]C1"]
["178658167","C1[Si+]C[SiH2]C[Si-]1"]
["168573257","[Si-]#[Si][Si+]1C[Si+]C[Si-]C1"]
["84018380","[Si-]C[Si+]C[Si-]C[Si+]1C[Si+]C[Si-]C1"]
["161696213","Br[Si]1C[Si+]C[Si-]C1"]
["91502416","CC[Si-]C[Si+]C[Si-]C[Si+]C[Si-]C[Si+]1C[Si+]C[Si-]C1"]
["84018385","[Si-]C[Si+]C[Si-]C[Si+]C[Si-]C[Si-]C1[Si]C[Si+]C[Si+]1"]
["44342124","C1C[Si-]C[Si+]1.CC[O+]=[Si]1CC[Si-]C1"]
["168539162","[Si-]C[Si+]C[Si]=[Si]1C[Si+]C[Si-]C1"]
["84018386","[Si-]C[Si+]C[Si-]C[Si+]C[Si-]C[Si+]C[Si+]C1[Si+]C[Si-]C[Si-]1"]
["161680755","C1[Si+]=[Si]2C[Si+]C[Si-]C2C[Si-]1"]
["84018383","[Si-]C[Si+]C[Si-]C[Si-]C1[Si]C[Si+]C[Si+]1"]
["171744979","C=[S+]P([O-])(=S)SSP([O-])(=S)SSP([O-])(=S)SC"]
["163274973","CSc1c(N)cc(C(=O)C(C)(C)C)n1C"]
["185405805","[O-]P([O-])(=S)SC1CCCCC1"]
["78268352","CCCN=CNP(=S)(OCCC)SC"]
["78306566","CCOP([O-])(=S)SCCOC.[K+]"]
["185008669","CC(C)P([O-])(=S)[S-]"]
["195824281","CCOSP([O-])([O-])=S"]
["185489281","CCSCCP([O-])(=S)[S-]"]
["162123017","CSP(N)(=S)OCCCl"]
["172694442","C=[S+]P(O)(O)=S"]
["53762935","COC(=O)P(O)(=S)SC"]
["171663667","CCCOP([O-])(=S)SCCC.[Zn]"]
["175268616","[B+]=C1N=c2[n-]c(=[B+])nc3[n-]c(=[B+])[n-]c(n2-3)=N1"]
["56776265","COCC1CC(=O)c2nc(C)c(C)n2C1"]
["14920358","O=C(c1ccc(Br)o1)N1CC(c2nc3ccccc3[nH]2)C1"]
["87352615","COCc1cc(=O)nc(-c2ccncc2C)[nH]1"]
["61131304","COCCC(N=C(O)N1CC(O)=NC(=O)C1(C)C)C(=O)O"]
["82559774","Cc1ccc(C)n1-c1ccc(CN2CC(C)OC2=O)cc1"]
["8181489","CC1=NN(c2ccccc2)[C@H](N)[C@@H](c2nc3ccccc3[nH]2)C1=O"]
["46615847","CCCN(CCC)Cc1nc2c(c(O)nc(=O)n2C)n1CCOCC"]
["110639714","Cn1c(=O)nc(O)c2c1[nH]c(=N[C@@H](Cc1ccccc1)C(=O)O)n2Cc1ccccc1"]
["154906782","CC(C)N1C[C@H](C)n2c(S(C)=O)nc(=O)c(O)c2C1=O"]
["176993881","O=c1cccnn1Cc1ccc(CF)cc1"]
["176054626","[B+]=C1C=c2oc(S)nc2=C[N-]1"]
["195476203","C1=PP=Pc2ppppc2P=1"]
["195439487","CC(C)(C)c1ppppp1"]
["195827247","p1ppc2pc3pc4pc5pc6ppppc6pc5pc4pc3pc2p1"]
["81856302","CC(O)c1oppc1C(C)I"]
["195609532","p1ppc2pc3pc4ppppc4pc3pc2p1"]
["75889436","C1=CC=Cc2ppppc2C=C1"]
["99406410","C1=C\\C=C/c2ppppc2\\C=C/1"]
["100706918","F[SiH2]C1=[C]CC=C1"]
["114219352","COCCONS(=O)(=O)c1c(C)cc(F)cc1C"]
["195645198","p1ppc2pc3pc4pc5ppppc5pc4pc3pc2p1"]
["88221845","COCCONS(=O)(=O)c1c(F)cc(F)cc1F"]
["97945696","BC(B)OC(C)OC(B)OC(C)OC(B)OC(OC(C)C)OC(B)OC(OC(B)B)OC(B)OC(B)OC(B)C"]
["169898571","CC(C)O[C@@H](C)[C@@H]1[C@H](OI)CCN1C"]
["25375900","CC(C)OC(C)[O]"]
["171480648","CC(C)[Si-][N+]#[Si-].[Li+]"]
["97824749","[B]=P(OC(C)C)(OC(C)C)OC(C)C"]
["186374035","BC(C)OC(C)CC(C)(C)O"]
["199995116","CC(C)S.CC(O)CN(C)CC(C)OC(C)C"]
["145767014","CC(C)OC(C)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"]
["98007390","B[C@H](C)ON"]
["56805806","CCC[Si]C(OC(C)C)OC(C)C"]
["63720638","CC(C)OC(OC(C)C)OC(C)OC(OC(C)C)OC(C)C"]
["79136273","CC(C)OC(C)OC(C)S"]
["91589609","C(=CC=[N+]1CCSC1)C=CN1CCSC1.[O-][Cl+3]([O-])([O-])[O-]"]
["162513740","CC(C)=CC(=O)N1CCSC1"]
["58279548","OCc1c(N2CCCSCC2)nc2sccn12"]
["95041775","Nc1cncc(N2CCSCC2)c1"]
["69933941","O=Cc1c(N2CCSC2)cccc1[N+](=O)[O-]"]
["99314307","Brc1cnccc1N1CCSC1"]
["34690911","C/C(=C\\C=C\\N1CCCC1)[N+](=O)[O-]"]
["60257630","O=C(Cc1csc(N2CCCSCC2)n1)c1ccccc1"]
["29882341","Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2C)n1"]
["26177232","O=CC=CC=CC=CN1CCOCC1"]
["13119842","O=C([O-])c1csc(N2CCSCC2)n1"]
["156317273","COc1ccnc(N2CCSC2)n1"]
["170578517","ClP1(Cl)=NP2(=NP3(=N1)NCCS3)[NH2+]CCS2.ClP1(Cl)=NP2(=NP3(=NCCS3)[N-]1)NCCS2"]
["96909735","ClP1(Cl)=NP(Cl)(N2CCC3(CC2)OCCO3)=NP2(=N1)NCCCN2CC1C=CC=C1"]
["57291074","Cc1ccccc1.Cc1ccccc1.NP1(Nc2ccccc2)=NP2(=NP(Cl)(Cl)=N1)NCCCN2CCCCN1CCCNP12=NP(Cl)(Cl)=NP(N)(Nc1ccccc1)=N2"]
["97044121","CN1CCCNP12=NP1(Cl)=NP(Cl)(=N2)OC(F)(F)C(F)(F)C(F)(F)O1"]
["100284918","CNP1(NC)=NP2(=NCCCS2)N=P([NH2+]C)([NH2+]C)N1"]
["170573654","COP1(Cl)=NP2(=NP(Cl)(Cl)=N1)NCCCN2C"]
["50388774","OC1CCC(O)P12=NP(Cl)(Cl)=NP1(=N2)NCCCN1CCCCN1CCCNP12=NP1(=NP(Cl)(Cl)=N2)C(O)CCC1O"]
["170571464","ClP1(Cl)=NP2(=NP(c3ccccc3)(c3ccccc3)=N1)NCCCN2CCCCN1CCCNP12=NP(c1ccccc1)(c1ccccc1)=NP(Cl)(Cl)=N2"]
["34177050","ClP1(Cl)=NP(Cl)(Cl)=NP2(=N1)NCCCN2CCCCN1CCCNP12=NP(Cl)(Cl)=NP(Cl)(Cl)=N2"]
["170578520","ClP1(Cl)=NP2(=NP3(=N1)NCCS3)NCCS2.ClP1(Cl)=NP2(=NP3(=N1)NCCS3)NCCS2"]
["100318531","N=P1(N)NP(=[NH2+])([NH3+])NP2(=NCCCS2)N1"]
["27282597","ClP1(Cl)=NP(Nc2ccccc2)(Nc2ccccc2)=NP2(=N1)NCCCN2CCCCN1CCCNP12=NP(Cl)(Cl)=NP(Nc1ccccc1)(Nc1ccccc1)=N2"]
["179147487","BrC1=c2ccc(s2)=C(c2ccc(I)cc2)c2ccc([nH]2)/C(Br)=c2/cc/c([nH]2)=C(\\Br)C2C=CC1=N2"]
["88701970","O=c1nc(-c2ccc(Br)cc2)[nH]c2c1CSC2"]
["6114035","Cc1sc(=N)[nH]c1-c1ccc(Br)cc1"]
["42635884","OC(=Nc1nc(-c2ccc(I)cc2)cs1)C1(c2ccccc2)CCOCC1"]
["112452491","CC(CN)c1nc(-c2ccc(I)cc2)cs1"]
["53877280","O=c1cc(-c2ccc(Br)cc2)[nH]c(-c2ccc(Br)cc2)c1"]
["66073977","COc1cc2nc(-c3ccc(I)cc3)[nH]c2cc1OC"]
["MCULE-6176417023","Cc1ccc(CN=c2[nH]c(Nc3ccc(I)cc3)ncc2[N+](=O)[O-])cc1"]
["190373568","[Co].c1ccc(C2=c3ccc([nH]3)=C(c3ccccn3)c3ccc([nH]3)C(c3ccccn3)=c3ccc([nH]3)=C(c3ccccn3)c3ccc2[nH]3)nc1"]
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["24250147","OC(CSCc1ccco1)=NCC1CCC1"]
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["198422779","[2H]P=S(I)P(P1([2H])=[P-]2(=P3([2H])P4I=S43)I([P-]3([2H])#S4=IP43)S12[P-]1([2H])#[P-]2(S)I(S)S21O)P1([2H])=S2(=P3([2H])P4I=S43)I(P)P12=P1([2H])P2I=S21"]
["173402082","Sc1nnc(CCCCc2nn[c-]o2)o1.[Cs+]"]
["142189952","CC1CN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1c1ccccc1"]
["59912109","CS(=O)(=O)c1nnc(CCCCCN=C(O)c2c(F)cccc2Cl)o1"]
["103295917","Cc1ccccc1OCCc1nnc(CCC(=O)O)o1"]
["65479971","CNCCc1ncc(-c2ccc(Br)o2)o1"]
["107825630","CCCC[C@H](N)c1nnc(CCCc2ccccc2)o1"]
["88174992","CC(=O)CCc1nnc(CN)o1"]
["128860349","CCc1nnc(CN(C)CCCOC)o1"]
["130652344","OCC(F)(F)CN=C(O)CCCc1nnc(-c2ccccc2)o1"]
["139241523","COCCCCc1nc(-c2ccccc2OC)no1"]
["128783530","CCCCCN=C(O)CCc1nnc(C(C)C)o1"]
["44142233","COc1ccc(Cc2nnc(CCCN)o2)cc1"]
["195509284","Nc1c(N)c(N)c2c(=II)[c-]3c(N)c(N)c(N)c(N)[c-]3c(=IP)c2c1N"]
["179856165","C[c-]1ccc(CI)cc1=II"]
["180905212","Cc1ccc(=II)[c-](F)c1"]
["174216013","FC(F)(F)[c-]1ncccc1=II"]
["194387133","Cc1c2c(N)c(N)c(N)c(N)c2c(C)c2c(N)c(I)c(N)c(N)c12"]
["195942893","Nc1c(N)c(N)c2c3c(c(N)c(N)c2c1N)OC(c1ccccc1)(c1ccccc1)C=C3"]
["195305382","CNc1c(N)c(N)c(N)c2c3c(N)c(N)c(N)c(N)c3c3c(N)c(N)c(N)c(N)c3c12"]
["190150465","CC(=O)Oc1c(N)c(N)c(N)c2c(N)c(N)c(N)c(OC(=O)P)c12"]
["195820060","Cc1c(N)c(N)c(N)c2c(C)c3c(N)c(N)c(O)c(C)c3c(I)c12"]
["179085963","CB1c2c(N)c(N)c(N)c(C)c2-c2c(C)c(N)c(N)c(N)c21"]
["193485324","Nc1c(N)c(N)c2c(N)c(N)c(=O)oc2c1N"]
["195964635","Nc1[nH]c2c(N)c(N)c(N)c(N)c2c1N"]
["178391988","C[I]C1CC2C3CC(C2C1)C(S(C)(C)O[I-]O[I-]C1CC2CC1C1CC([Si-](C)(C)N[I-](C)(C)C)CC21)C3"]
["104064567","Cc1ccc(S(=O)(=O)[C@@H]2C[C@H]3C[C@@H]2[C@H]2COC[C@H]32)cc1"]
["64761552","C=C=C1C2CCCCC2C2CC([Si-](=C)(C)C)CC2C2CCCCC12.[CH3-].[Ti+2]"]
["196010184","CNC1CC2C3CC(C2C1)C([NH+](C)[NH-])C3"]
["179839192","CC1CC2C3CC4CC(CC5CC6C[C@H]7C1CC2C7C6C5)CC43"]
["179655773","C[I-]C1CC2CC1C1CC3CCCCC3CC21"]
["178914165","CCCC1CC2C3CC(C4C=C4)CC3CC12"]
["163937174","CC(C)(C)OC1CC2CC1C1CC21"]
["109388374","Cc1ccc(S(=O)(=O)[C@H]2C[C@@H]3C[C@@H]2[C@H]2COC[C@H]32)cc1"]
["197560218","O=S(=O)(Cl)CC1CC2CC1C1CC21"]
["180576663","CC(=N)[C@H]1CC1[C@H]1C=[N+]1C"]
["195471659","CONC1CC2CC1C1CC(NO[NH+](C)[O-])CC21"]
["166557328","Oc1c#cc([SeH])c2sc#cc12"]
["178073996","COc1c#cc(O)cc1"]
["179559355","Oc1c#cc2ccccc2c1O"]
["194527976","Oc1cc2c(cc1O)SSc1cc(O)c(O)cc1SS2"]
["46209884","COc1c#csc1C1=C[CH-][C-](C2=S=C(c3sc#cc3OC)CC2)S1.[Li+].[Li+]"]
["25266003","Clc1[c]sc(Cl)c1Cl"]
["181408945","[N-]=[N+]=NN(c1c(Br)c(Br)c(Br)c(Br)c1Br)c1c(Br)c(Br)c(Br)c(Br)c1Br"]
["192208510","CC(C)[C@@H]1CN=C(O)S1"]
["180219425","C/C=C\\NC(=S)c1nc(C(C)C)nc2c#csc12"]
["158041929","C[C@H]1C(O)=NC(C)(C)C12CSC2"]
["34294222","COc1c#csc1-c1s[c-][c-]c1OC.[Li+].[Li+]"]
["59916815","COC(=O)c1sc#cc1C"]
["183649461","S=C1NNS(S)(S)C1=S"]
["176054607","OC1=C=C2N=CO[C-]2NC1=S.[Rf]"]
["145766745","O=S1(=O)C(=S)C2=C(CC2)C1=S"]
["177039696","[B+]=C1C=C(C2CC2)[N-]N1"]
["55438981","FC(F)(F)c1c(S)c(=S)c1=S"]
["183184198","S=C1N=CN=C2N=CNC12S"]
["25650568","S=C1CNN(S)S1"]
["27023074","S=c1c(S)c(S)c1=S"]
["101086833","S=C1[CH]BC(S)=C[NH2+]1"]
["173025373","[NH+]#Cc1s[nH]c(=S)c1S"]
["14993529","N#Cc1c(N)[nH]c(S)c1C#N"]
["96715759","S=C1N=[NH+]C(=C2N=NC(=S)NN2)N[N-]1"]
["103038436","c1c2c(c(-c3c4c(cc5c3=NNN5)=NNN4)c3c1=NN=N3)=NN=N2"]
["150846193","O=[N+]([O-])c1cc2c(c3c1N=NN=3)=NN=N2"]
["42354097","CCCCc1ccc2c(c1=C1C=CC=CC1=O)=NNN2"]
["60202456","CCOC(=O)C1C(=O)N=c2cc3c(cc21)=NNN3"]
["60975939","C=c1cc2c(c(=C3C=CC=CC3=O)c1=C1C=CC=CC1=O)=NNN2"]
["187215311","c1nnnc2nc3nc4nc5c(cc4cc3cc12)NNN=N5"]
["60801543","O=C1N=c2ccc3c(c2C1=CNc1ccc([N+](=O)[O-])c(Cl)c1)NNN=3"]
["184534686","Cc1ccc(F)c2c1C(CCC1(F)CCC(O)CC1)[N+]1=CN=C=C21"]
["66318259","CC1=CC(=c2c(C)ccc3c2=NNN3)C(=O)C(CC2=CC(C)=CC(=c3c(C)ccc4c3=NNN4)C2=O)=C1"]
["68161690","CC1(C#N)C(=O)N=c2cc3c(cc21)=NNN3"]
["53600778","O=C1N=c2ccc3c(c2/C1=C/Nc1ccc(CCO)cc1)NNN=3"]
["65725372","Cc1ccc(N/C=C2/C(=O)N=c3ccc4c(c32)NNN=4)cc1"]
["161671336","O1O[C@]23OB4O[C@@]25OOB2OOC6(O2)OB2O[C@@]6(O5)[C@@]5(OOB1OO[C@]35O4)O2"]
["113737674","COc1cccc(CNCCCCI)c1F"]
["172813797","CC12OOB(O1)O2"]
["173884858","CC(O)C12OB(O1)OC21OB2OC1(O)O2"]
["172031963","C[C@@]1(O)OC23OB(O2)O[C@@]3(O)C1(O)O"]
["85176619","CCSCc1cc(OC)ccc1B1OC(C)(C)C(C)(C)O1"]
["170938981","OCC(C12OOB(O1)O2)(C12OOB(O1)O2)C12OB(O1)O2"]
["161851380","C[C@]1(O)OC23OB(O2)O[C@@]3(O)C1(O)O"]
["172813463","OC12OOC13OB(O2)O3"]
["161783528","CC1(O)OC23OB(O2)OC3(O)C1(O)O"]
["172281169","O1OC23OC4(OO4)C2(O1)O3"]
["172075897","OC[C@]12OB3OC1(O3)O2"]
["97379848","[CH2+][CH+]/C=C1/C=C/C(=C/C=[N-])C1"]
["91153704","[Bi].[CH-]=CC=C1[C]=[N+]=CC=C1"]
["82464729","COC=C1C=CC2=C(CCCC2)C1"]
["173006785","FC1=CC=CC(=CC2CC2)C1"]
["79245726","C=C[C]1C=CC(C=C)=CC1"]
["145715394","[N-]=NC=C1C=CC(Cl)=[O+]1"]
["25619082","CCCC=C1C=CC(=O)CC1"]
["183004107","CC1=CC(=Cc2ccccc2)CC(C)=C1S#[N+]N=[N-]"]
["174943572","C=CC=N/C=C1/C=CC(C(C)C)=CC1"]
["174027018","[B]/C=c1/cccc/c1=C/S"]
["173889509","C=CC=c1ccccc1=CC=C"]
["175778906","C=CC1=CC/C(=C\\C)C=C1"]
["161869215","O=c1c2c3n(c(=O)n1Br)[C@]14O[C@]5(OP(=O)(OC5OOP(=O)(O2)O3)O1)[C@]1(O)OP2(=O)OC41O2"]
["184682675","COc1ccc(-c2cc(=O)n([C@](C)(O)S(=O)(=O)N=C(O)C34OP(=O)(OC3C)O4)cc2F)c(F)c1"]
["161697799","CC(O)=N[C@@]12OP3(=O)O[C@]1(O)O[C@]1(CO)OP4(=O)OO[C@@]2(O3)[C@@]1(O)O4"]
["171710211","O=P12ON3CCC(O)C3(O1)O2"]
["171928966","O=c1nc(N=C(O)C(O)C(O)C(O)C(O)CO)c2c3n1C1O[C@H](CO)[C@@H](OOP(=O)(O2)O3)[C@H]1O"]
["177055910","N[C@@]12OS(=O)(=O)O[C@]1(O)O[C@]1(CO)OP3(=O)O[C@]1(O)[C@@]2(O)O3"]
["161664499","C[C@@]12C(=CC(=O)C3OP4(=O)OC31O4)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"]
["161703046","O=C(C(O)CO)P1(=O)[C@@]2(O)[C@]3(O)OP4(=O)O[C@]3(O)[C@@](O)(O4)[C@@H](O)[C@]21O"]
["161655898","O=P12OO[C@@]34OP5(=O)OC6(O[C@]3(CO)O5)N3CN=C(C(=C3O1)O2)N1OP(=O)(O1)O[C@@]64O"]
["171996406","COC(=O)OP(=O)(O)COC1CCC2(C1)OP1(=O)OC3(OP4(=O)Oc5c3c(=O)n(c(=O)n52)O4)O1"]
["161658688","O=c1c2c3n([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)n1OP(=O)(O2)O3"]
["161760962","CCC1(CC)N(C(=N)O)CC2OP3(=O)OC1(O3)N2C"]
["180971487","[N-]=N[N-]OC(F)(F)C(F)(Cl)[Cl+](OC(Cl)(Cl)Cl)(OC(F)(OC(F)(F)OC(Cl)(Cl)OC(Cl)(OC(F)(F)Cl)OC(F)(Cl)Cl)C(F)(F)F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)Cl"]
["180971186","CO[Cl+]C(F)(F)O[N-]N=[N-]"]
["183836252","[N-]=[N+]=NOC(F)(F)OC(Cl)(Cl)OC(Cl)(OC(F)(OC(F)(F)F)OC(Cl)(Cl)Cl)OC(Cl)(Cl)C(F)(F)Cl"]
["180971488","[N-]=N[N-]OC(F)(F)C(Cl)(OC(OC(F)(F)C(F)(F)F)(OC(F)(OC(F)(F)OC(Cl)(Cl)OC(Cl)(OC(F)(F)Cl)OC(F)(Cl)Cl)C(F)(F)F)C(F)(F)F)[Cl+]OC(Cl)(Cl)Cl"]
["195048529","[O-][NH+](O)c1cc(Cl)ccc1N=C(O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F"]
["180971829","[N-]=N[N-]C(F)(F)[Cl+](OC(F)(F)F)(OC(F)(F)Cl)OC(F)(F)SC(F)(F)F"]
["186385803","O=C(O)C(F)(F)OC(F)(OC(F)(OC(F)(OC(F)(F)C(F)(F)C(F)(F)Cl)C(F)(F)F)C(F)(F)F)C(F)(F)F"]
["181018173","[N-]=[N+]=NOC(Cl)(OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F"]
["181894901","[N-]=[N+]=NOC(F)(OC(F)(OC(F)(F)F)OC(F)(F)OC(F)(OC(Cl)Cl)OC(Cl)(Cl)Cl)C(Cl)(OC(F)(F)Cl)OC(F)(Cl)Cl"]
["184030429","[N-]=[N+]=NOC(OC(F)(OC(F)(F)OC(Cl)(Cl)OC(Cl)OC(F)(F)Cl)C(F)(F)F)(OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)Cl)C(F)(F)F"]
["180973716","[N-]=[N+]=NOC(OC(F)(F)C(F)(F)F)(OC(F)(OC(F)(Cl)Cl)C(F)(F)F)C(F)(F)F"]
["19328344","OC(=Nc1cc(Cl)ccc1Cl)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F"]
["177038604","P=C1C(=PPP)c2nc1nc1nc(nc3nc([nH]c4[nH]c(n2)c(P=PP)c4P)C(P)=C3P=PP)-c2ppppc2-1"]
["97632124","CCCC1=C(CCC)c2nc1nc1nc(nc3nc([nH]c4[nH]c(n2)c(CCC)c4CCC)C(CCC)=C3CCC)C(/N=C/c2cc(C(C)(C)C)ccc2O)=C1/N=C/c1cc(C(C)(C)C)ccc1O"]
["96531736","CC1(C)[C@@H]2CC[C@@]1(C)c1nc3c(nc12)-c1nc-3nc2nc(nc3[nH]c([nH]c4nc(n1)-c1nc5c(nc1-4)[C@@H]1CC[C@@]5(C)C1(C)C)c1nc4c(nc31)[C@@H]1CC[C@@]4(C)C1(C)C)-c1nc3c(nc1-2)[C@@H]1CC[C@@]3(C)C1(C)C"]
["155161402","N=C(O)CNS(=O)(=O)c1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1"]
["33949841","CCCC1=C(CCC)c2nc1nc1nc(nc3nc([nH]c4[nH]c(n2)c(CCC)c4CCC)C(CCC)=C3CCC)C2=C1O[C@@](C)(OC)[C@](C)(OC)O2"]
["100921095","CCCC1=C(CCC)c2nc1nc1nc(nc3nc([nH]c4[nH]c(n2)c(CCC)c4CCC)C(CCC)=C3CCC)C(NC(=O)C(=O)OC)=C1NC(=O)C(=O)OC"]
["196003737","Cn1c(N)c2ppppc2c1NC1=NC(=N)c2ppppc21"]
["57844549","Fc1c(F)c(F)c2c(c1F)-c1nc3nc(nc4[nH]c([nH]c5nc(nc-2n1)-c1c(F)c(F)c(F)c(F)c1-5)c1cc(Cl)ccc41)-c1c(F)c(F)c(F)c(F)c1-3"]
["96784963","SC1=C(S)c2nc1nc1nc(nc3[nH]c([nH]c4nc(n2)C(Cl)=C4Cl)c(Cl)c3Cl)C(Cl)=C1Cl"]
["167428246","CCc1nc2c(nc1CC)-c1nc-2nc2nc(nc3nc(nc4[nH]c([nH]1)c1nc(CC)c(CC)nc41)C(C)(C)C3(C)C)C(C)(C)C2(C)C"]
["171999873","CCCCCOc1c(Cl)c(Cl)c2c(c1Cl)-c1nc3nc(nc4[nH]c([nH]c5nc(nc-2n1)-c1c(Cl)c(OCCCCC)c(Cl)c(Cl)c1-5)c1c(Cl)c(OCCCCC)c(Cl)c(Cl)c41)-c1c(Cl)c(OCCCCC)c(Cl)c(Cl)c1-3"]
["178984579","C1=Cc2nc3c4nc5nc([nH]c6nc(nc7nc(nc([nH]4)c3nc2CC1)-c1nc2ccccc2nc1-7)-c1nc2ccccc2nc1-6)-c1nc2ccccc2nc1-5"]
["55097141","O=C1C=C(P[B]I)C(=O)N1CCN(CCNCCN1C(=O)C=C(B(P)I)C1=O)CCN1C(=O)C=C(B(P)I)C1=O"]
["49395542","CCN(CC)C(=O)[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1"]
["25031469","O=C1c2ccccc2C(=O)N1CCSCc1nccc(NC(S)=NCC(F)(F)F)n1"]
["MCULE-3744247430","CCOc1ccc(C2=C(NCc3cccc(Cl)c3)C(=O)N(CCN(CC)CC)C2=O)cc1"]
["MCULE-4885847407","CCN(CC)CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2ccc(F)cc2)C1=O"]
["175364103","Cn1c(=O)n(C2CCN(P)CC2)c2nc(NO)ccc21"]
["MCULE-7535124807","CCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCN(CC)CC)C1=O"]
["65997158","CCCNCCCN1CC(C)CC1=O"]
["MCULE-2116120033","CCN(CC)CCN1C(=O)C(NCCCCN(C)C)=C(c2ccccc2Cl)C1=O"]
["MCULE-7539479883","CCN(CC)CCN1C(=O)C(NCCN=C(C)O)=C(c2ccc(-n3cccc3)cc2)C1=O"]
["MCULE-1092052053","CCN(CC)CCN1C(=O)C(Nc2ccc(CC(=O)OC(C)C)cc2)=C(c2ccc(OC)c(OC)c2)C1=O"]
["199585527","CCCOc1ccc(NC2=CC(=O)N(CCO)C2=O)cc1"]
["170207190","BC1=C(B)C(=O)C2(N)c3c(B)c(B)c(B)c(B)c3B(Cl)C2(B)C1"]
["84038570","CC1=C2C(=O)CC(C)(C)C=C2N(c2cccc(Cl)c2Cl)C1=O"]
["197643174","COc1cccc2c1CC(C)(CN)OC2=O"]
["170207369","BC1=C(B)C(B)(B)C2(B)B(Cl)c3ccccc3C2(N)C1=O"]
["197369454","N#CC1(c2cccc(Cl)c2Cl)CC(=O)C1"]
["120969081","CC1(C)CC(=O)CN1c1cccc(Cl)c1Cl"]
["52231467","NCC1(N2C(=O)CC3(CCCCCC3)C2=O)CCCC1"]
["197557852","Cc1cc(Cl)ccc1C1(C(=O)O)CC(=O)C1"]
["52020536","NCC1(c2cccc(Cl)c2)CC(=O)C1"]
["170207304","BC1(B)CC2(B)B(Cl)c3ccccc3C2(N)C(=O)C1O"]
["28101995","NCC1(C2(N)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O"]
["165229296","Bc1c(Cl)c(B)c2c3c([nH]c2c1B)C(B)(C(=N)O)C(B)(B)C(B)(B)C3(B)B"]
["76239825","[1CH3][1c]1[1cH][1cH][1c]([1C]2=[1N][1C]([1C]([1F])([1F])[1F])([1C]([1F])([1F])[1F])[1CH]([1C]#[1N])[1CH2][1O]2)[1cH][1cH]1"]
["76239763","[1CH3][1O][1C](=[1O])[1C]1=[1N][1c]2[1cH][1c](/[1CH]=[1CH]/[1C]#[1N])[1cH][1cH][1c]2[1O][1C]12[1CH2][1CH2]2"]
["76239930","[1CH3][1c]1[1cH][1cH][1c]([1C@@H]2[1O][1C@H]2[1c]2[1cH][1c](=[1O])[1c]3[1cH][1cH][1cH][1cH][1c]3[1o]2)[1cH][1cH]1"]
["76239704","[1CH2]=[1CH][1CH2][1CH]1[1CH2][1CH]=[1C]([1CH2][1OH])[1N]1S(=[1O])(=[1O])[1c]1[1cH][1cH][1c]([1CH3])[1cH][1cH]1"]
["76239711","[1CH3][1CH2][1O][1C](=[1O])[1CH]1[1CH2][1O][1C]([1c]2[1cH][1cH][1c]([1CH3])[1cH][1cH]2)=[1N][1C]1([1C]([1F])([1F])[1F])[1C]([1F])([1F])[1F]"]
["76239983","[1O]=[1C]1[1CH2][1CH2][1CH2][1CH2][1CH]1[1CH]1[1CH]=[1C]([1c]2[1cH][1cH][1cH][1cH][1cH]2)[1O][1c]2[1cH][1cH][1cH][1cH][1c]21"]
["76239975","[1O]=[1C]([1O][1C@H]1[1CH2][1CH2][1CH2][1CH2][1C@]12[1O][1C]([1C]([1F])([1F])[1F])=[1CH][1C]2=[1O])[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239986","[1CH3][1c]1[1cH][1cH][1c]([1C]2=[1N][1N]([1C](=[1O])[1c]3[1cH][1cH][1cH]s3)[1C]([1OH])([1C]([1F])([1F])[1F])[1CH2]2)[1cH][1cH]1"]
["76239856","[1CH3][1O][1C](=[1O])[1C@H]1[1CH2][1C@@H]([1OH])[1CH2][1CH2][1N]1S(=[1O])(=[1O])[1c]1[1cH][1cH][1c]([1CH3])[1cH][1cH]1"]
["76239965","[1CH3][1N]1[1C](=[1O])[1C]([1C]#[1N])([1C]([1CH3])([1CH3])[1CH3])[1C](=[1O])[1C]([1C]#[1N])([1C]([1CH3])([1CH3])[1CH3])[1CH]1[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239654","[1CH3][1O][1C](=[1O])[1C@H]1[1CH2][1C@H]([1OH])[1CH2][1CH2][1N]1S(=[1O])(=[1O])[1c]1[1cH][1cH][1c]([1CH3])[1cH][1cH]1"]
["76240001","[1CH3][1O][1c]1[1cH][1cH][1c]([1C]2=[1N][1N]([1C](=[1O])[1c]3[1cH][1cH][1cH]s3)[1C]([1OH])([1C]([1F])([1F])[1F])[1CH2]2)[1cH][1cH]1"]
["191068642","CCCCC[N+](C)(C)CCC[Si](O)(O)OCC[N+](C)(CCO)CCO.CCCCC[N+](C)(C)CCC[Si]1(O)OCC[N+](C)(CCO)CCO1.CCCCC[N+](C)(C)CCC[Si]12OCC[N+](C)(CCO1)CCO2"]
["171344041","CC(=O)[O-].CCCCCCCCCCCCCCCC[N+](CCCO)(CCCO)CCCO"]
["79373063","CCCC[N+](CCCC)(CCCC)CCCCCCCCCCO.[Br-]"]
["171289389","CCCCCCCC[N+](C)(CCCCO)CCCCCCCC.[Br-]"]
["175589706","CCCCCCCC[N+](CCCCCCCC)(C(CC)C(O)OCC)C(CC)C(O)OCC"]
["147803657","CCCCCCCCCC(=O)OCC[N+](C)(C)CCCC[N+](C)(C)CCOC(=O)CCCCCCCCC"]
["192817020","CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si]1(C)OCCOC(COCCCCCO)CCO1"]
["97206892","C=CC[N+](C)(C)CCOCC[N+](C)(C)CCCCC"]
["102934290","CCCCCCCCCCCCCC[N+](C)(C)OC(C)=[O+]"]
["161943973","CCCCCCCCC[Si](OCCOCC)(OCCOCC)OCCOCC"]
["55022585","[CH+]CCC[Si](C)(C)O[Si](C)(CCCN(C)C(=C)[N+](C)(C)CCCCCCCCCCCC)CC(C)(C)CCC[CH-]"]
["155443175","CCCCCOc1cc2nc([C@]3(O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O3)[nH]c2cc1Br"]
["78701676","C=P(F)=C=C=C=P"]
["170854927","C=C(C)C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["161215639","FP(F)F.[Ru].[Ru]"]
["84569819","Cc1cc(F)cc(NC(C)(C#N)C(C)C)c1"]
["161673857","C=P(=O)P"]
["78523691","BP(F)Br"]
["100580180","N=P(F)=S"]
["171199465","Cl.NCCCC[C@@H](N)c1cc(Br)cc(Br)c1N"]
["83271298","C=P(=O)F"]
["176438543","Cc1cc(C)nc(C)c1.F.FB(F)F"]
["99699287","O=C=NP(F)N=P"]
["162554679","N#CC[C@@H](N)c1cc(F)cc(Br)c1O"]
["172792559","C1C2C[S+]3S[S+]1C[S+](S2)S3"]
["61395911","IC1C=CSC1"]
["55353490","C1#[N+]C2CCC1CC2"]
["64640905","ClC1CC(Cl)C2CC1SS2"]
["184484368","C=I1(C(C)CC)CCSCC1"]
["172679546","CC1C[S+](C)SS1"]
["172806357","C[S+]1CC(C(C)(C)C)CS1"]
["172781627","OC1CC[S+](O)SC1"]
["172714953","C[S+]1CSC[S+](C)C1"]
["638394","OC1C[S+]2CCCCC2C1O"]
["177747631","NC12CSC(C1)C2"]
["153217531","O[C@@H]1[C@H](O)C[S@+]2CCCC[C@@H]12"]
["169712780","OP(O)OP1OCC2(COP(O)OC2)CO1"]
["188226198","CC(C)P1OCC(C)(C)CO1"]
["195376446","CCCCCCCCCCOP1OCC2(CO1)COP(Oc1ccccc1)OC2"]
["75214761","Cc1ccc(P2OCC3(CO2)COP(c2c(C)cc(C)cc2C)OC3)c(C)c1"]
["187621247","CS(C)(C)C#CC1(O)CC2(COC2)C1"]
["109736700","CC1=C[C@@H](C)[C@@H](C2OCC3(CO2)COC([C@H]2[C@@H](C)C=C(C)C[C@@H]2C)OC3)[C@H](C)C1"]
["98422318","CP1OCC2(CCN(C(=O)OC(C)(C)C)CC2)CO1"]
["99371262","OP(O)OCOP(O)O"]
["43494930","CCCC1(C)COP(OC2COC3C(OP4OCC(C)(C)CO4)COC23)OC1"]
["161930071","COP1OCC2(CO1)COP(On1c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c1=O)OC2"]
["185601652","CC(C)CCCCCCCCCOP1OCC(C)(C)CO1"]
["81886646","CC(C)Cc1ccc(OP2OCC3(COC(Oc4ccc(C(C)(C)C)cc4CC(C)C)OC3)CO2)c(C(C)(C)C)c1"]
["195441668","N[NH+]1[N-]ONO1"]
["189848241","NS(=O)(=O)C1=C2OCC=CN2NC1"]
["26690431","N=C1ONOC1N"]
["183255594","O=C1N=CONO1"]
["91123141","N1OOOOO1"]
["175588187","Cl.NC1OONOO1"]
["195974052","ICC[NH+]1C=CN[N-]1"]
["175069027","CCCC1(CCC)C[NH+]([O-])CCO1"]
["186587636","NC1CNC2OC3NCC(N)CC3C2C1"]
["176085885","C1=CC(=C2C=CONO2)ONO1"]
["195971707","N=C[N+]1(ON)ONO1"]
["180992874","NP1(=O)ONO1"]
["169755883","C=NB1COB(N=C)OB(N=C)O1"]
["51126704","Cc1cncc(B2OCC(C)(C)CO2)c1"]
["100427490","NNB1CO1"]
["150424591","C=N/N=C/C(C)B1CCC(C)(C)C(C)(C)O1"]
["181647732","CC1(C)COB(N=[N+]=[N-])OC1(C)C"]
["56632454","C=C1COB(B2OCC(=C)CO2)OC1"]
["183307361","[N-]=[N+]=NB1OCC(S)(S)O1"]
["168808766","C1CB2OCB12"]
["91049096","CB1CO1"]
["183526834","[N-]=[N+]=NB1OCC(S)O1"]
["26215324","C1COB(N=NB2CCCO2)C1"]
["179770757","C=NC[C@H](C)B1CC1"]
["180132787","C[C-](C)CC[C-]=N.[U+2]"]
["184600055","[CH2-]C(CO[C-](C)C)(SC)C(C)C.[U+2]"]
["175289321","CC(C)(C)C(=N)CBr"]
["195709010","C[C-](C)CCOC(=[C-]C(=O)c1cccs1)C(F)(F)F.[Eu+2]"]
["128923502","COc1ccccc1CN=C(O)C(C)S(=O)CCCC(C)C"]
["98017925","CC(C)CC[C@H](C)Br"]
["180854657","C[C-](C)CC(C)[C-]=O.[U+2]"]
["177149368","CC[O-].C[C-](C)C.[Mg+2]"]
["171724587","C[C-](C)CC(N)=[C-]CF.[Cr+2]"]
["199226793","CC(C)N([C-]=N)C(C)C.CC(C)N([C-]=N)C(C)C.[Ca+2]"]
["177060448","CC([C-]=N)CCCCCCC(C)[C-]=N.[Li+].[Li+]"]
["23284538","CCOC(=N)CBr.Cl"]
["188924422","S=C1C=C(S)C(=S)C(c2c(S)cc(-c3cc(S)c(-c4cc(S)cc(S)c4S)c(S)c3S)c(S)c2S)=C1"]
["102977026","S=C1C(S)=CC2=CC=CC3(S)C=CC([SH2+])=C1C23"]
["174489340","S=c1c(S)c(C2C=Cc3ccccc3C=C2)c(=S)c1=S"]
["178105077","Sc1cc2c3c(c1)-c1ccccc1[NH+]3c1ccccc1-2"]
["24893412","NP(O)(=S)Nc1ccc(O)cc1-c1cccc(S)c1"]
["1450513","O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc(-c2cccc(Cl)c2)no1"]
["96856263","CC(C)c1cccc(C(C)C)c1-c1cc(-c2cc(S)cc(-c3cc(-c4c(C(C)C)cccc4C(C)C)cc(-c4c(C(C)C)cccc4C(C)C)c3)c2)cc(-c2c(C(C)C)cccc2C(C)C)c1"]
["174068988","Cc1cc(S)cc(-c2ccccc2)c1O"]
["182072801","Sc1cc(S)c(-c2ccccc2P(c2ccccc2)C2C=Cc3ccccc32)c(S)c1"]
["173395408","CCCCCCCCCCC(C)C1=CC(=S)C=C(S)C1=S"]
["169408800","O=Cc1cc(S)cc2c1C(=O)OC2=O"]
["181251574","S=C1c2ccccc2C(=S)c2c1ccc(S)c2S"]
["102996323","N=NN=C1C=Cc2c(N=C3C=CC(=NS(=O)(=O)CCC[NH3+])C=C3)c3c(nc2=C1)C=CC(=NN=N)C=3"]
["15234980","CCS(=O)(=O)N=C1C=CC(=C([O-])/C=C/c2c[nH][n+](C(C)(C)C)c2)C=C1"]
["CSSS03394078055","O=S(=O)(CCc1c(F)cccc1F)N=c1cnn(CC2CC2)[nH]1"]
["99116739","CC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1cc2ccccc2[nH]c1=NCCCC1CCCC1)c1ncc(OCCS(C)(=O)=O)cn1"]
["174618986","CN=CC1(C)C=C(N(C)CCS(=O)(=O)CCO)NC(=NCCCOC)C=C1C"]
["86498913","CCCNc1nc(CCC)[nH]c(=NCCS(C)(=O)=O)c1C"]
["160509296","CCc1nc(CN=C(O)C(C)(C)S(=O)(=O)C2CC2)cs1"]
["31684494","COCCS(=O)(=O)N=c1[nH]c2ccccc2nc1OC(c1ccc(-c2cnco2)nc1)C(F)(F)F"]
["180815275","N=c1[nH]cnc2c1=CC(c1ccc(CCCI)o1)=IC=2"]
["100209654","Cc1ccc(Cl)cc1-c1nc(N=C2C=CC(=NN=N)C=C2)[nH]c(=[NH2+])n1"]
["64929201","Cc1c[nH]ccc1=NS(=O)(=O)CCCCN"]
["75480362","CCCS(=O)(=O)N=c1[nH]c2ccccc2nc1OC(C(F)(F)F)C(F)(F)F"]
["175147104","C1=CC2=CC=IC2=C[N-]1.C1=Ic2ccncc2[N-]1.c1cc2[pH]ncc2cn1"]
["191349542","FCCCc1ccc(Nc2ccc3cnccc3c2)nc1"]
["190886691","N=c1[nH][nH]c(N)c1N=Nc1cccc2cnccc12.Nc1cccc2cnccc12"]
["29754470","CS(=O)(=O)c1cccc(CCN(C(=O)c2cccnc2)C2CCC(CN)(c3cccc(Cl)c3)CC2)c1.Cl"]
["84269750","S=C=Nc1ccc2cnccc2c1"]
["167104986","C=C1C=C[C](C2CC2C(=O)Nc2ccc3cnccc3c2)C=C1"]
["113931140","Cc1csc(CNCc2ccc3cnccc3c2)n1"]
["83949498","Clc1c(-c2ccco2)[nH]c2cnccc12"]
["170114723","CC1=Cc2ccncc2CC1N"]
["185178198","N=c1[nH]c(-c2ccc3cnccc3n2)cs1"]
["183433625","[N-]=[N+]=Nc1nc2ccc3cnccc3c2[nH]1"]
["179098526","N=N[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1"]
["179226003","C1=C=C=C2C[N+]3(CCC2=C=1)CC3"]
["179523319","CCCC(C)/C=C\\C(C)C1=C=C=C(C2=C=C=C(CC)CC2)CC1"]
["4301966","CC1=CCC[N+]2(CCOCC2)C1"]
["33450128","C1=C=C=C2C(=C=C=C=C=C3C(=C=C=C=C=C4C(=C=1)[C@H]1CC[C@@H]4CC1)[C@H]1CC[C@@H]3CC1)[C@H]1CC[C@@H]2CC1"]
["102994308","C1=CC=C=C2CCC=12"]
["55610617","O=C(Cl)C1=C=C=C=[C]1"]
["60213377","[Br-].c1ccc2c(c1)C[N+]1(CCCCCC1)C2"]
["97025619","C1=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C2C3=C=C=C=C=C=C=C=C=C2C3=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=1"]
["179414858","CC1=C[N+](C)(C2C#CC2)CC1"]
["58255376","C1=C=C=C2C(=C=C=C=C=C3C(=C=C=C=C=C4C(=C=1)C1CCC4CC1)C1CCC3CC1)C1CCC2CC1"]
["64053432","C1CCC[N+]2(CC1)CCC[N+]1(CCCCC1)CC2"]
["96818735","C1=C/C[N+]23CC[N+](CC2)(CC3)Cc2cccc(c2)C[N+]23CC[N+](C/1)(CC2)CC3"]
["78466477","[SiH3][Si]([SiH3])([SiH3])OOOOOONOOOOOO[Si]([SiH3])([SiH3])[SiH3]"]
["78600980","O[Si](O[SiH3])(O[SiH3])O[SiH3]"]
["179261979","OOOOOOOONOOC1CC[I-]1"]
["79145404","O[Si](O)(O)O[SiH3]"]
["200085243","CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOOOOOONOOOOOC(=O)O"]
["174818906","C[SiH2]C.C[Si](C)(C)OO[SiH3].O"]
["172163263","OOOOONOOOOOS"]
["183590119","O[Si](O)(O[SiH3])O[Si](O)(O)O[SiH3]"]
["190517742","[SiH3]OO[Si](O[SiH3])(O[SiH3])O[SiH3]"]
["78714871","CCCCCCCCCCCCCCCCCCCCCCCCCCCCOOOOOOONOOSOO"]
["185793070","CCNO[SiH3]"]
["97040893","CC1=C(C)C1[Si]([SiH3])([SiH3])O[SiH3]"]
["185507685","O=PC1C(P=O)C1C(=[OH+])[OH2+]"]
["63003841","C=C(C(=O)O)C(C)OC"]
["185363695","O=PCCC(O)=[OH+]"]
["75536161","C[C@H]1O[C@H]1P=O"]
["193132732","CC[C@H]1O[C@@H](C)[C@@](C)(O)[C@@H]1C.O=S(=O)=O.O=S(=O)=O"]
["190985138","CC([OH2+])=C(C)C(=O)[NH+](C)C.[Fe]"]
["174682509","O=[Se](O)O.[Fe].[SeH2]"]
["46322529","CS(C)(N)(=O)O"]
["79169613","O=PO.[Ca+2]"]
["195359693","OC(=[OH+])C1C2CC3(COC3)CC21"]
["185610989","O=PC([OH2+])C([OH2+])P=O"]
["45924994","O=PCCO"]
["65251658","N#CC(C#N)N(C#N)N(C#N)C#N"]
["55205303","N#CC(NCc1ccccc1)C(O)c1ccccc1"]
["150311760","CN=CC(C#N)C(C)=N"]
["91504945","CC(C)C(C#N)CC(C#N)C(C)C"]
["114017224","N#CC(N)c1ncc(Cl)s1"]
["120728254","Cc1ccc(N(C)CC(C#N)C(C)C)cc1"]
["58009031","CNC(C#N)CN(CCOC)C(C)COC"]
["32168488","N#CC(NC(c1ccccc1)c1ccccc1)c1ccccc1"]
["81461595","C#CC(C)CC(C)C#N"]
["63758023","Cc1ccccc1N(C)CCC(C#N)NC(C)C"]
["61647982","N#CC(C=CC(C#N)c1ccccc1)c1ccccc1"]
["156420550","CC[C@H](C#N)N(C)C"]
["173407667","c1cnn2c(-n3nc(-n4nc[n+]5ccc[nH+]c45)[n+]4ncccc34)nnc2c1"]
["108582504","c1cnn2c([C@H]3CNCCCO3)nnc2c1"]
["171959758","O=C(OCC1c2ccccc2-c2ccccc21)N1C2CCCC1CC(O)(c1cnc3cccnn13)C2"]
["193145467","c1ccncc1.c1cnn2ccnc2c1"]
["183306994","[N-]=[N+]=Nc1c(O)nc2cccnn12"]
["87922866","C[C@H](N)c1nnc2cccnn12"]
["144576381","CN=C(O)c1nc2cccnn2c1-c1cc(F)c(Cl)cc1F"]
["68906505","Cn1nc2cccnn2c1=O"]
["MCULE-3069776162","Cc1cc(C)cc(C(O)=Nc2ccc(-c3cnc4cccnn34)cc2F)c1"]
["MCULE-2731418892","Cc1ncsc1C(O)=Nc1ncc(-c2cnc3cccnn23)cn1"]
["MCULE-4772590503","O=C1CCCN(C(=O)c2cc(-c3cnc4cccnn34)cc([N+](=O)[O-])c2)C1"]
["180896471","OC(=N[C@H]1CCN(c2ccc3ncc(-c4cccnc4O)n3n2)C1)C1CCCC1"]
["46607008","C[Si]12C[Si]3(C)O[Si]4(C)O[Si]5(C)O[Si]6(C)O[Si]7=[O+][Si](C)(O[Si](C)(O[Si-]8O[Si](C)(O1)O[Si](C)(O[Si](C)(O8)O6)O4)O2)O[Si](C)(O3)O[Si](C)(O7)O5"]
["45510477","C[Si]1=[O+][Si-](C)O[Si-](C)O[Si](C)(CCCCCCCC[Si]2(C)O[Si](C)=[O+][Si-](C)[O+]=[Si](C)O2)O1"]
["62229018","C[Si]1O[Si](C)=[O+][Si-](C)CCCCO[Si](C)(C)O1"]
["194735980","CCC(C)O[Si]1(C)O[Si](C)=[O+][Si](C)(OC(C)CC)O[Si-](C)O1"]
["63688796","CO[Si](C)(OC)O[Si](OC)(OC)O[Si]1(C)O[Si]2(C)C[Si@]3(C)O[Si](C)(O[Si](C)(O)O[Si](C)(O3)O[Si@@](C)(OC)O2)O1"]
["69609981","CO[Si]1(C)O[Si]2(C)C[Si]3(C)O[Si](C)(O[Si](C)(O)O[Si](C)(O3)O[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O2)O1"]
["44097541","C[Si]1O[Si](C)(C)O[Si]2(C)O[Si]1=[Si](C)O[Si](C)(C)O2"]
["44996287","C[Si]1=[O+][Si]2(C)O[Si]3(C)O[Si-](C)O[Si]4(C)O[Si](C)(O3)O[Si](C)(O[Si](CCCOC(=O)C(C)(C)Br)(O1)O4)O2"]
["168454382","C[Si]1=[O+][Si-](C)O[Si]2(C)O[Si-](C)[O+]=[Si](C)O[Si](C)(O1)O2"]
["100325005","COC.C[Si]1=[O+][Si]2(C)O[Si]3(C)O[Si-](C)CO[Si]4(C)O[Si](C)(O3)O[Si](C)(O[Si](CCOC(=O)C(C)(C)Br)(O1)O4)O2"]
["170567306","C[Si]1(C)O[si]2o[si-]([o+]2)O[Si](C)(C)O1"]
["193490814","CO[SiH](C)C.C[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](C)(O4)O1"]
["197772690","C/C=c1\\c(=C/CCC(C)c2ccccc2Br)c2ccc[c-]c2c2[c-]cccc12.CC(C)C.[Y]"]
["59745832","COc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)cc1Br"]
["28725969","CC(C)(C)C(O)c1cccnc1Oc1ccc2c(nnn2CC2CC2)c1Br"]
["120378471","CC(C)(C)CCCC(=O)c1cc2cccc(Br)c2o1"]
["142442075","CC(C)(C)C(NCC(O)=Nc1ccccc1Br)C(=N)O"]
["149954038","CC(C)CCOc1ccc(C2CNC(=N)N2)cc1Br"]
["122907767","CC(C(O)=NCc1ccc(CO)c(F)c1)c1cn(C)c2ccccc12"]
["84172679","CCc1c(-c2ccccc2Cl)c2ccccc2[nH]c1=N"]
["87444337","CC(Cl)c1ccccc1N=C(O)C1CCC(F)(F)CC1"]
["93692961","CCN1CCOC(CNC2CC(c3ccccc3Br)C2)C1"]
["12380364","Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2Cl)s1"]
["130175058","CC(=O)N(C)c1cccc(NC(O)=NC(C)c2ccccc2Br)c1"]
["76699446","[B]CB=C(C[B])C(=[B-](C[B+])C[B+])C(C=[B])=[B-](C[B])C[B]"]
["173747329","[B]CB=CC"]
["82918901","COCCC(=C(B(c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1"]
["112529800","COCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O"]
["69582845","[B]C[B-](C[B])=C(C=[B])C(C=[B])=[B-](C[B+])C[B+]"]
["173087787","C=COC(=O)C(=C)C.C[N+](C)(C)CCOP[O+]"]
["195423406","[B]CC[NH+]=C(O)[NH+](CC[B+])C(O)=[N+]([CH-]O)CC[B+]"]
["48018653","[B]C[C-]1C(C)=C(C[B+])C(C)=C(C[B+])[C-]1C"]
["173888580","[B]CC(=C)CC/C=C\\F"]
["176485800","C/C=C(/C)N=C1C=CC(C)=CC1CNC"]
["50034536","[B]/C=C(B(C[B])C[B])/C(B(C[B])C[B])=C(\\[B]C[B])C[B]"]
["77387528","CC(=Cc1cc(C)c([O-])c[o+]1)CCC1=CCOC1=O"]
["98400663","CC.Cc1c2c3c(c(C)c(C)c4c5c6c7c(c(=O)c8c-6c(c(C)c5=O)C8)Cc1c7c34)C2"]
["157756168","Cc1c(C(=O)N2C[C@@H](F)[C@@H](F)C2)[nH]c2c1C(=O)CCC2"]
["190388141","C.C.CCC1=c2c(C)c3c(c(C)c2CC1=O)=C(C)C(=O)C3"]
["46056064","Cc1ccc2c(c1C)-c1c(C)c(C)c(C)c(C)c1C2"]
["198714703","Cc1c(C)c(C)c(C(C)C)c(C)c1C.Cc1c(C)c2c(c(C(C)C)c1C)C2.Cc1c2c(c(C(C)C)c3c1C3)C2"]
["200124743","CC(=O)c1cc(C)cc2c1CN(N1CCC(C)(C)CC1)C(C1CC1)C2=O"]
["100868572","Cc1cc(O)c2c(O)c3c(c(O)c2c1)C[C@@H](C)CC3=O"]
["CNP0491012.1","C/C(CCc1cc[nH]c(=[NH2+])c1)=C(/CO)C[C@@]12O[C@]1(C(=O)OC1CCCC1)C(=O)c1ccccc1C2=O"]
["177125176","O=C1c2c(c3c(=O)c3c3c(=O)c23)[Ge]2(C(=O)c3c2c2c(=O)c2c2c(=O)c32)c2c1c1c(=O)c1c1c(=O)c21"]
["162117788","Cc1cc(C)c2c(c1C)C(=O)CO2"]
["110963687","Cc1c(O)c2c(c(O)c1N1CCCC1)C(=O)C=CC2=O"]
["171341746","COC(=O)c1c(C(=O)OC)c(-c2ccccc2)c2c(c1-c1ccccc1)Cc1c(C)c3c(c(C)c1C2)CCCC3"]
["101032571","C1=Cc2cc3cc(cc4[cH-]c(cc5ccc(cc=1c2)[cH-]5)=C=C4)CC3"]
["43686425","CS(=O)(=O)N1CCc2c(cccc2NC2=C=C[C](Cl)C=C2)C1"]
["100925189","c1ccc(N(c2ccccc2)c2cc3cc(c2)CCc2cc(cc(N(c4ccccc4)c4ccccc4)c2)CCc2cc(cc(N(c4ccccc4)c4ccccc4)c2)CC3)cc1"]
["4132517","COc1cc2cc(c1)CCc1cc(cc(OC)c1)CC2"]
["184424465","N#CCc1cc2cc(c1)CCc1cc(cc(C(C#N)C#N)c1)CC2"]
["169774424","CC(C)(C)C(=O)ON1CCN(C2c3cc(Br)ccc3N=CN2C#N)CC1"]
["196836575","C=C1CCCCNc2ccc(C)c(c2)C(=C)c2cccc(c2)CC1"]
["110918046","CCCCc1[c]c2cc(c1)CCc1cccc(c1)CC2"]
["91120693","c1cc2ccc1CCc1ccc(cc1)-c1cc3cc(c1)CCc1cc4cc(c1)-c1ccc(cc1)CCc1cc(cc-2c1)CCc1ccc(cc1)-c1cc(cc(c1)CC4)CC3"]
["172882348","c1c2cc(C(=NC3=NCC34CC4)N=C3CC34CC4)cc1CC2"]
["174764304","C#C.c1sc2cc1CC2"]
["191992469","c1c2cc3cc1CCCCNCc1cc4cc(c1)CNCCNCc1cc(cc(c1)CNCCNCc1cc(cc(c1)CNCCNC4)CNCCCC2)CNCCNC3"]
["59933369","C1=CO[B-]2([NH+]=CCO2)O1"]
["173072354","C1=[NH+]NNC1"]
["63588729","C1=[NH+]OCC1.O=P(=O)O"]
["62785892","C1=COSOC1"]
["42555103","CC(C)(C)C1CN=CC(=O)C1"]
["91595830","C1=[O+]COC1"]
["87905166","O=C1NCc2cc(Br)oc21"]
["91246925","O=C1C=C2OC=CCC2C1"]
["172468141","NP1OC=CCO1"]
["101056740","O=C1CC=[NH+]1"]
["67149057","C1=COC2(OC=CCO2)OC1"]
["184127771","O=C1C=C[NH+]=CC1"]
["174529027","C=CCN=C(N(CC=C)CC=C)[N+](CC=C)(CC=C)CC=C.[I-]"]
["127942776","C=CCN(CC=C)C(=O)c1cc(C)c(F)cc1F"]
["96808094","C=C[C@@H]1CC[C@@H](C=C)C1(O)CBr"]
["11974278","C=CCN(CC=C)[C@H](CN=C(O)Nc1cc(Br)c[nH+]c1O)C(C)C"]
["174635111","C=CC[N+](C)(CCC(C)O)CCC(Cl)CCCCCCCCCCC"]
["4928370","C=CCN=C(O)CN(c1ccccc1)C(C)C"]
["MCULE-8862832125","C=CCN(CC=C)C(=O)Cc1ccc(OC)c(OC)c1OC"]
["111700476","C=CCN(CCOC)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1"]
["22002918","C=CCN=C(O)N=C(O)[C@@H](C)N(C)Cc1ccc(OC)cc1"]
["1242165","C=CCN(CC(F)(F)F)C(=O)C[C@@H](N=C(C)O)c1ccc(OC)cc1"]
["3521158","C=CCN=C(O)/C(C#N)=C\\c1c[nH]nc1C(C)(C)C"]
["119967446","C=CCN=C(O)c1cc([N+](=O)[O-])cc(C)c1F"]
["79360369","Fc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C(F)(F)C2(F)Bc1c(F)c(F)c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c12"]
["183820931","[N-]=[N+]=Nc1c(F)c(F)c(F)c2c(F)c3c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(-c4c(F)c(F)c(F)c5c(F)c6c(F)c(F)c(F)c(F)c6c(F)c45)cc3cc12"]
["26419795","F[C]1C(F)(F)C(F)(F)C1(F)F"]
["32596295","FC1=C(F)C2C(C(F)=C1F)C(Cl)(Cl)c1c(F)c(F)c(F)c(F)c1C2(Cl)Cl"]
["172250199","CC1=CC(B(O)O)(c2c(F)c(F)c(F)c(F)c2F)C(c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)C(C)=C1O"]
["32350856","O=C1C(C2=C(F)C(F)(F)C2(F)F)C(=O)C1(F)F"]
["185033048","OB(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c12"]
["150121014","CCC(C)(CC)c1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F"]
["73480364","Fc1cc(-c2c3c(F)c(F)c(F)c(F)c3c(-c3cc(F)c(F)c(F)c3)c3c(F)c(F)c(F)c(F)c23)cc(F)c1F"]
["162124652","Fc1c(F)c(F)c2c(F)c(OP(Cl)Oc3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c(F)c(F)c2c1F"]
["97649419","Fc1c(F)c(C(F)(F)C(F)(F)F)c2c(c1F)C(F)(F)C(F)(F)C2(F)C(F)(F)F"]
["83984172","O=C1C(F)=C(F)C(F)(Cl)c2c(F)c(F)c(F)c(F)c21"]
["168440104","ClC1=C2O[B+]O[C-]2[C-](Cl)c2o[b+]oc21"]
["62897716","[B+]1O[C-]2COc3o[b+]oc3[C-]2O1"]
["87448118","Clc1ncc(Br)c(-n2cnc3c2CCCC3)n1"]
["184152659","O=CC1=C=C(Cl)[C-]2OCI=C2C1"]
["32764752","ClC1=C(Cl)OC(=C2OC(Cl)=C(Cl)O2)O1"]
["161689895","FC(F)(F)C1=C(Cl)NOO1"]
["162168526","O=C1CC2COCC2=C1Cl"]
["194736522","CC.[B+]C1([B+])COC2=C1C(Cl)=C(Br)[CH-][C-]2C"]
["170600458","[b+]1oc2[cH-][c-]3o[b+]o[c-]3[cH-]c2o1"]
["67011349","O=C1S#S(S)(S)C(Cl)=C1Cl"]
["46365944","[b+]1occ2o[cH-][c-]3o[b+]oc3c-2o1"]
["26594197","C=c1c(Cl)c(Cl)c(=[Cl+])c(=C)[c-]1Cl"]
["102928724","b1[nH][c-]2c1c1[nH][b+]c1c1[nH][b+]c1[c-]1[nH]bc21"]
["185622300","ClCCC1(Cl)C(Cl)=C(Cl)c2c1c1c(c3c2=C(Cl)C(Cl)=C3Cl)C(Cl)=C(Cl)C=1Cl"]
["26117214","C=CCC1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"]
["97620622","ClCC1(C(Cl)Cl)C2C=C(Cl)C1(CCl)[C@H](Cl)[C@H]2Cl"]
["65192978","CC1(C)CC1(Cl)CCCl"]
["82291596","O=S(=O)(NCCCl)Nc1c(Cl)cccc1Cl"]
["13116065","OC(=NCCc1cc(Cl)cc(Cl)c1)NNc1ccc(Cl)nn1"]
["161766709","OCC=C=CC1CC2(Cl)CC1(Cl)C(Cl)=C2Cl"]
["197574487","NC1(CCc2cc(Cl)cc(Cl)c2)CC1"]
["84632791","CCCC1(c2cccc(Cl)c2)CCCCCN1"]
["59727926","O=S(=O)(CCCCl)Nc1cccc(-c2nnco2)c1"]
["74823","O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)CCCCl)cccc21"]
["109022241","O=C1C(Cl)=C(Cl)C(Cl)(Cl)[C@@H](Cl)[C@]1(Cl)CCl"]
["62510591","C[N+](C)=C1[Se][Se]2(#[Se]C(=[N+](C)C)[Se]2)[Se]1"]
["167272623","C[N+](C)=C1CC1"]
["56100046","CC1=C(C)C(=[N+](C)C)C=CC1=[Si-]"]
["174438324","C[N+](C)=C1N=NN=N1"]
["101159531","C[N+](C)=C1C=CC2(C=C1)C(C)(C)C2(C)C"]
["96587539","CC[N+](CC)=c1snc(C)s1"]
["55762021","CCCn1ccc(=[N+](C)C)cc1.[Br-]"]
["178957282","CC1=C([N+](C)=O)C#C1"]
["187177040","C=C[SiH](C)n1ccc(=[N+](C)C)cc1"]
["113104866","C#CCCCCN1CC(CC)(CC)NCC1C"]
["172916080","[BH3-]n1ccc(=[N+](C)C)cc1"]
["171065657","CCC(=O)n1ccc(=[N+](C)C)cc1"]
["176545213","[B+]=[O+]c1n[c-](O[S-])[nH][c-]([O+]=[B+])[nH]1"]
["61814192","C1=NC=NC1=C1C=NNN1"]
["187130375","[B+]=C1C=NN(C(CC)c2ccc(OC(F)(F)F)nc2)[CH-]1"]
["60499809","CI=P(I)=C[c-]1nc(O)[nH]1"]
["33009790","[B+]=[O+]/C1=N\\C2=[C-]CC[C-]=C2CNc2cc(OC)c(OC)cc2/C([O+]=[B+])=N/C2=[C-]CC[C-]=C2CNc2cc(OC)c(OC)cc21"]
["173665693","[B+]=[O+][C-]1N=C(CC)C(=C=C)[N-]1"]
["180712890","[B+]=Nc1n[c-](N=[B+])[nH][c-](C)[nH]1"]
["161712471","S=C(S)c1cn[nH]c1"]
["79931929","COC1=NS[CH]N1"]
["173753215","[B+]=[O+]c1c[c-]([O+]=[B+])[cH-][c-](O)[cH-]1"]
["184749128","C1=NC=N/C1=C1/N=c2cc[nH]c2=N1"]
["100284337","[B+]=[O+]c1n[n-][n-]1"]
["170531238","CC(C)N(c1c([B-](F)(F)F)c1=[N+](C(C)C)C(C)C)C(C)C"]
["150803896","C=CC(=O)N(C1CC1)[C@@H](C)c1cccnc1"]
["139833693","COC(=O)CN(C(=O)c1cc(I)c(F)cc1F)C(C)C"]
["4357278","Cc1cc(C)n2ncc(C(=O)N(C)[C@H](C)c3cccnc3)c2n1"]
["MCULE-1002064162","CC(c1cccnc1)N(C)C(=O)c1cc(-c2ccccn2)c(F)cc1F"]
["60394743","CC(Cn1ccnc1)NS(=O)(=O)c1ccccc1N"]
["131887934","CCN(CC(F)F)C(=O)c1ccc(Cl)cc1C(F)(F)F"]
["12864607","C[C@H](N=C(O)N(C)[C@@H](C)c1cccnc1)c1ccccc1"]
["124040741","CCC(c1ccncc1)N(C)S(=O)(=O)Cc1c(F)cccc1F"]
["45131339","CC(C)N(CC(F)(F)F)c1cc(F)ccc1N"]
["129761919","CC(O)CC(C)CN=C(O)c1cnccc1N(C)C"]
["112500066","CC(C)N(C)c1ccc(C(=N)N)c2ccccc12"]
["49773181","C[Si](C)(C)C1=CC([Si](C)(C)C)C([Se][Se][Se]C2=CC([Si](C)(C)C)C=C2[Si](C)(C)C)=C1"]
["170665912","CC(C)(C)[C@H]1COC(=C2C(I)=CC=C2[Si](C)(C)C)N1"]
["179689193","C[C-]=C1C=C(F)C(F)C(F)C1.[Cs+]"]
["158466552","C[Si](C)(C)C1=CC(=C(c2ccccc2)c2ccccc2)C([Si](C)(C)C)=C1.[Cr]"]
["43750959","C[Si](C)(C)C1=CC(=CNc2cccc(NC=C3C=C([Si](C)(C)C)C=C([Si](C)(C)C)C3=O)c2)C(=O)C([Si](C)(C)C)=C1"]
["170537194","C[Si](C)(C)c1sc2sc3sc4c(c3c2c1Br)-c1c(sc2sc3sc([Si](C)(C)C)c(Br)c3c12)Sc1sc2sc3sc([Si](C)(C)C)c(Br)c3c2c1-c1c(sc2sc3sc([Si](C)(C)C)c(Br)c3c12)S4.c1ccccc1"]
["45110301","C[Si](C)(C)C1=CC(=CNC2CCCCC2NC=C2C=C([Si](C)(C)C)C=C([Si](C)(C)C)C2=O)C(=O)C([Si](C)(C)C)=C1"]
["157887155","C[Si](C)(C)C1=CC([Si](C)(C)C)CC1"]
["90066226","CC1Nc2ccc(Cl)cc2S(=O)(=O)C1C#N"]
["97156734","CC(C)C1C=C(c2ccccc2)OC(c2ccccc2)=N1"]
["173384605","CC1=CC(C)C=C1[Si](C)(c1ccccc1)c1ccccc1"]
["78061064","Bc1cccc2c1OC(C)C(O)=N2"]
["1156144","Cl.[O-]c1ccc2cc[n+](CCc3ccc(F)cc3)cc2c1"]
["85388374","O=C(O)c1cn(Cc2ccc(F)cc2F)c(=O)nc1O"]
["MCULE-5516589423","OC=NCCCN=C(O)c1cc(-c2cccc3c2CCCC3)n(Cc2ccc(F)cc2)n1"]
["MCULE-6448472185","Cc1ccc(C2=C(Nc3ccc(CC(=O)OC(C)C)cc3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1C"]
["22965121","CCOc1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.O=C(O)C(=O)O"]
["15438447","OC(=NCc1ccc(F)cc1)c1cccc2c[nH]nc12"]
["116848954","OC1CCC(NCc2cccc(OCc3ccc(F)cc3)c2)CC1"]
["26200977","[O-][n+]1ccn(CC(=NCc2ccccc2)c2ccc(F)cc2)c1"]
["137736084","CNS(=O)(=O)c1ccc2c(c1)N(Cc1coc(-c3ccc(F)cc3)n1)CC2"]
["81615737","CCOC(=O)c1cn(C(CO[Si](C)(C)C(C)(C)C)C(C)C)c2ccc(CCc3ccc(F)cc3)cc2c1=O"]
["8118271","C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(C(O)=NC2CCCCC2)CC1"]
["86861320","C[C@H](N=C(O)OCC(F)(F)F)c1ccc(F)cc1"]
["78548768","O=C(CC(CC(=O)OP(#P)P(#P)P(#P)P[P])(OP(#P)P(#P)P=[P+]=[P-])C(=O)OP(#P)P(#P)P[P])OP(#P)P=[P+]=[P-]"]
["177824286","C[C@@H](OC(=O)O)OC(=O)C[C@@H](C[C@@H]1C(N)[C@@]1(F)C(=O)O)OCc1ccc(F)c(F)c1"]
["196498500","CC(C)(O)C1C2OC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1"]
["98312383","CC(=O)[C@@]1(O)[C@@H](N=C(C)O)[C@H](N=[N+]=[N-])O[C@H](C(=O)C(C)O)[C@]1(O)C(OC(C)(C)C)C(=O)O"]
["100145650","CCCCOP(=O)(OCCCC)O[C@@H]1OC(C)[C@H](N=PP=PP=PP=P)[C@H](OP(#P)P(#P)P[P])C1N=[N+]=[N-]"]
["117588817","CCC(C(=O)O)n1ccc2cc(OC)ccc21"]
["171554301","CC(C)OC(=O)CC(C(=O)OC(C)C)(C(=O)OC(C)C)C(=O)OC(C)C"]
["177824267","CC(OC(=O)O)OC(=O)CC(CC1C(N)C1(F)C(=O)O)OCc1ccc(F)c(F)c1"]
["100696397","CC(C)(C#N)[C@H](CCOP(#P)P[P])OP(#P)P=[P+]=[P-]"]
["99768236","O=C(CC(CC(=O)OP(#P)P(#P)P(#P)[P+]#P)(OP(#P)P(#P)P=[P+]=[P-])C(=O)OP(#P)P(#P)[P+]#P)OP(#P)P=[P+]=[P-]"]
["100665046","CC[C@H](/C=C(/C)[C@H](CC(C)=O)OP(#P)P[P])COP(#P)P=[P+]=[P-]"]
["78839340","CP(=O)(OP(#P)P=[P+]=[P-])OP(#P)P=[P+]=[P-]"]
["46845950","C1NCN2CNCNSN(CN1)CNSNC2"]
["67713484","NC(=[NH2+])N1CNCN1"]
["54101570","O=[N+]([O-])N1CNCNC1"]
["188753317","C1NCN2CCN(CN1)C2"]
["175531530","CC(O)N1CNCNC1.c1cnnnc1"]
["75512968","C1NCN2CNCN1C2.O=NN=C(O)N=NC(O)=NN=O"]
["91648652","S=P12NCN(CN1)CN2"]
["58479680","CN(C)CN1CNCNC1"]
["178829776","O=C1OCC(N2CNCNC2)CO1"]
["46340176","CC(C)N1CNCNC1"]
["182521075","C[Si](C)(C)N1CNCNC1"]
["185147255","SN1CNCNC1"]
["79364740","[C+]#CC1=CC=CC(C#[C-])/C1=[SiH]\\CC#C"]
["175544474","C#CNC1C=CC=CC1NC"]
["198289194","C#CC1=CCC=C1NC1=CC=CCC1C"]
["140612555","C#CCSCCNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1"]
["34582726","C#CC[C@@](N)(Cc1ccccc1)C(=O)O"]
["78529606","B=CNC(=O)C1=CC=C[C@@H](C)C1"]
["172873094","PC(C1=CC=CC1C(P)(C1CCCC1)C1CCCC1)(C1CCCC1)C1CCCC1"]
["179919796","CC1C=CC=C(C(F)(F)F)C1O"]
["185800402","C#CCC1C=CC=CC1"]
["190595259","C#CC[S+]1CCCC1c1ccccc1Cl"]
["CSSS02033046411","C#CCOc1ccccc1NCc1nnc(C2CC2)s1"]
["197597283","C#CCC1(C(=O)O)CCCN1C(=O)C(F)(F)F"]
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["57622129","O[B-](O)=C1[C-]=[C-][C-]=[C-]1.O[B-](O)=C1[C-]=[C-][C-]=[C-]1.[Fe]"]
["73520164","OO.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["172995847","Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[H-].[Na+]"]
["182497109","CC(CCCCO)c1ccc(I)c(I)c1I"]
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["73558215","I.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["78240172","Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Ru]"]
["24899501","O=S(c1cc(O)cc(O)c1)c1cc(O)cc(O)c1"]
["169813928","O[B-](O)=C1C#CC#C1"]
["99799751","O[Si].Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
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["98568228","CC.CC1C[SiH](C)O[SiH](C)C[SiH](CC[Si](C)(C)O[Si](O[SiH2]CC[SiH]2O[SiH](C)CC(C)O[SiH](C)O2)(O[Si](C)(C)CC[SiH]2CC(C)O[SiH](C)O[SiH](C)O2)O[Si](C)(C)CC[SiH]2OC(C)C[SiH](C)O[SiH](C)O2)O1"]
["78445307","CC1C[SiH](C)O[SiH](C)O[SiH](CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[SiH]2O[SiH](C)C[Si](C)(CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[SiH]3O[SiH](C)C[SiH](C)O[SiH](C)O3)O[SiH](C)O2)O1"]
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["78514640","C[SiH2]O[Si](O[SiH2]O[SiH2]O[Si](C)(C)CC[SiH]1OC(C)C[SiH](C)O[SiH](C)O1)(O[SiH2]O[SiH2]O[Si](C)(C)CC[SiH]1O[SiH](C)CC(C)O[SiH](C)O1)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[SiH]1OC(C)C[SiH](C)O[SiH](C)O1"]
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["99010239","CC(O)COCCCC[Si]1(C)O[SiH](C)CC(C)O[SiH](CC[SiH2]O[SiH2]O[SiH2]CC[SiH]2OC(C)C[Si](C)(CC[SiH2]O[SiH2]O[SiH2]CC[SiH]3OC(C)C[SiH](C)O[Si](C)(CCCCOCC(C)O)O3)O[Si](C)(CCCCOCC(C)O)O2)O1"]
["191022939","CCC[SiH2]O[Si](O[SiH2]CCC)(O[SiH2]CCC)O[Si](C)(C)CCc1ccccc1"]
["78502682","CC1C[SiH](C)O[SiH](CCCCCC[SiH2]O[SiH2]O[SiH](CCCCCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)O[SiH2]CCCCCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)O[SiH](C)O1"]
["78498464","CC1C[SiH](C)O[SiH](C)O[SiH](O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH]2OC(C)C[Si](C)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH]3OC(C)C[SiH](C)O[SiH](C)O3)O[SiH](C)O2)O1"]
["78445297","CC1C[SiH](C)O[SiH](C)O[SiH](CC[SiH2]O[Si](O[SiH2]CC[SiH]2O[SiH](C)O[SiH](C)O[SiH](C)O2)(O[SiH2]CC[SiH]2O[SiH](C)O[SiH](C)O[SiH](C)O2)O[SiH2]CC[SiH]2O[SiH](C)O[SiH](C)O[SiH](C)O2)O1"]
["78498466","CC1C[SiH](C)O[SiH](C)O[SiH](CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[SiH]2OC(C)C[Si](C)(CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[SiH]3OC(C)C[SiH](C)O[SiH](C)O3)O[SiH](C)O2)O1"]
["78549940","[3H]P=S([3H])(N)=BO"]
["173115682","OB=BO.[H-].[Na+]"]
["173608459","NCCO.NCCO.O[B]O"]
["196859678","OB=NS"]
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["173115200","OB=BO.[H-].[Li+]"]
["199838599","O=N[B]O.[W]"]
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["157100194","NN.O[B]O"]
["78591147","N[SH](=O)=O.OBO"]
["44999639","O[B]O.c1ccccc1"]
["79560069","[3H]P=NF"]
["195753604","[NH-]C(=O)NC(=[NH2+])C([NH3+])=[NH+]C(=O)I"]
["47430797","N=C(NC(=[NH2+])[NH3+])Nc1ccccc1Br"]
["19084218","[NH-]C(=O)c1nn[nH]c1I"]
["179601710","CC(C)C(=[NH2+])NN[NH3+]"]
["18106641","CCC(CC)[C@H](CNC(=[NH2+])[NH3+])N(C)C"]
["16898388","N=C(NC(=[NH2+])[NH3+])Nc1ccc(Br)cc1"]
["101405285","C[Si]1(C)CN[C@H](C(=O)I)C1"]
["78995756","N=C(N)N.NC(=[NH2+])[NH3+].[S-2]"]
["189913207","[K+].[NH-]C(=O)NO"]
["178712427","N=C(I)N/C(I)=C(\\N)I"]
["172279443","[NH-]C(=O)NO.[Na+]"]
["178231188","O=C(I)N1C(=O)CCC1=O"]
["70506515","CC(C#CC1=C(C)CC(O)CC1(C)C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C(O)C(O)CC1(C)C"]
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["175655707","C/C=C\\C=C(/C=C\\C)N=C(O)NC1CCC(O)CC1"]
["42737139","CC(=CCC1=C(C)C[C@@H](CC(=O)[O-])CC1(C)C)[N+](=O)[O-]"]
["78776651","CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)O)/C=C/C(=O)CO"]
["175854064","COCc1ccc2c(c1)CC(O)CC2(C)C"]
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["190615179","Cc1ccc2c(c1)CCC1=C3C[C@@H](O)C[C@@]3(C)C=C[C@]12C"]
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["180158895","c1c[si-]c[siH]c1"]
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["175689434","[Al+3].c1cc[siH]cc1"]
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["79330083","[c]1cccc[siH]1"]
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["45844303","c1cc[se+]cc1"]
["172382185","CS1(C)C=CS(C)(C)C=C1"]
["44547950","[Hf+4].c1ccc2c(c1)[n-]c1c2ccc2c3ccccc3[n-]c21.c1ccc2c(c1)[n-]c1c2ccc2c3ccccc3[n-]c21"]
["176207708","c1c[siH]sc1"]
["175749040","[Al+3].[Mg+2].c1cc[siH]cc1"]
["183407667","C1=[SiH]O[NH2+]C1"]
["174086095","[B]C(C)(F)C(F)(P)C([B])(F)C(F)(I)C([B])(F)C(F)(P)C([B])(F)C(F)(I)OC(P)(C(C)(C)F)C(C)(P)P"]
["178470867","CC(F)(I)c1cc(F)cc(C#N)c1"]
["184970878","C=C([N+](=O)[O-])C(C)(F)I"]
["42873961","[B]C(C)(C)P"]
["52528660","CC(C)(N=C(O)OCC(F)(F)F)C(C)(C)C(=O)O"]
["91105227","FC(F)(F)C(F)(I)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)I"]
["187180304","COC1(OC)C(F)(F)C(F)(C(C)(F)F)C(F)(C(C)(F)F)C1(F)F"]
["79616442","[CH2]COC(C)(F)OC(F)(F)F"]
["85306407","COC(O)=NC(C)(C(=O)O)C(F)(F)F"]
["163068384","CC(F)(F)c1cc(F)cc(C(Cl)(Cl)Cl)c1"]
["173910606","[B]C(F)(C(C)C)C(C)(C)C([B])(F)C(C)(C)C(C)C"]
["44675705","CC(F)(F)OC(F)(C(C)(F)F)C(C)(F)F"]
["172931047","CCCC(=[18O])[18O]C[C@H]1[18O]C([18O]C(=[18O])CCC)[C@H](N=C([18OH])CCC)[C@@H]([18O]C(=[18O])CCC)[C@@H]1[18O]C(=[18O])CCC"]
["69844670","CCCC(O)=NC1CCCC1O"]
["156489995","CCCC(O)=N[C@@H]1CCC[C@H](C)[C@@H]1C"]
["126482876","CCCCC1CCCC1N=C(O)CCCC(=O)OC"]
["147692749","CCCC(N)=C1C(=O)CC(CC(C)S(=O)CC)CC1=O"]
["157543695","CCCC[C@H]1CCC[C@H]1N=C(O)CCCCC(=O)O"]
["140872110","CCCC(O)=NCC(O)=NC1CCCC(C)C1C"]
["94147437","CCCC(O)=NC1CC(N)C1(C)C"]
["175337148","C1CSSC1.CCCC(O)=N[C@H]1C[C@@H](O)C[C@@H](O)O1"]
["157224169","CCCC(O)=N[C@@H]1CCC[C@H](C)[C@H]1C"]
["6639257","CCOC(O)=N[C@H]1CS(=O)(=O)C[C@@H]1Cl"]
["67692084","CCCCC1CCCC1N=C(O)CCc1ccccc1OC"]
["175052080","S=C=[N+]=C=P[S-]"]
["79444795","N.N=C=S.N=C=S"]
["172999366","N=C=S.[H-].[K+]"]
["91245263","S=C=C=[Cl+]"]
["171704858","N#C[S-].[Au+].[N-]=C=S"]
["91470964","S=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=S"]
["179538866","CC(C)(C)C=[N+]=C=S"]
["200109727","N=C=S.O"]
["65650998","C=[N+]=C=C=[N+]=C=S"]
["79370371","C=CC[N+]=C=S"]
["78118400","CO.S=C=S"]
["79476183","Cl.N=C=S.[Li+]"]
["184475020","[CH-]1[CH-]C[I+]NC1"]
["179487201","C1[I+]NN2C[C-]12"]
["174060423","[CH-]1CCNC1.[V]"]
["161684537","[CH-]1CN1.[Li+]"]
["61564024","[CH-]1CCNC1.[Y+3]"]
["180764500","C[C@H]1[CH-][CH-]CC[I+]1"]
["178367153","CCC[C@H]1C[CH-][CH-]C[I+]1"]
["179693616","[CH-]1[C-]2C3NC[I+]C123"]
["179585681","COC1[I+]C[CH-][N-][C@@H]1F"]
["42978152","[CH-]1CCC[CH-]N1.[V].[V]"]
["174027752","[CH-]1[CH-]C[I+]OC1"]
["179237358","C[C@H]1[CH-][CH-]C[I+]C1"]
["95239390","O=S(=O)(Nc1nnns1)c1cnc[nH]1"]
["95744238","CC(C)(C)NS(=O)(=O)NCc1cnc[nH]1"]
["9838791","Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c(C)c1C"]
["171665996","O=C(O)[C@H](Cc1cnc[nH]1)N(CF)C(c1ccccc1)(c1ccccc1)c1ccccc1"]
["175677879","C(#Cc1csc2c(-c3ccc(-c4cnc[nH]4)cc3)csc12)c1ccccc1"]
["137919806","CC(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1"]
["49782382","NCCc1ccc(NS(=O)(=O)c2cccnc2)cc1"]
["197436990","CC(c1cncc(F)c1)S(=O)(=O)F"]
["92415376","Cc1nnc(NS(=O)(=O)c2ccnc(NN)c2)s1"]
["25903242","Cc1csc(C(O)(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C"]
["197936224","CC(CC(=O)O)(NS(=O)(=O)c1cncc(F)c1)C(F)F"]
["28254139","CN(CCc1cnc[nH]1)C(=O)c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1"]
["97694087","CC(C)(C)[Si](/[SiH]=[Si](\\Br)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["99554932","[CH2-]CC(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C.[Li+]"]
["79434659","[CH2]C(CC)[Si](C)(C)C(C)(C)C"]
["91210993","CC(C)(C)[Si](C(Cl)Cl)(C(C)(C)C)[Si](C)(C)C"]
["171427026","C[Si](C)=[Si](C)C(C)(C)C"]
["97787050","CC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)[P+]12C3C4P1P4[P+]32[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[K-].[K-]"]
["171553424","CC(C)(C)[Si](C)(C)c1nc(Br)c(I)s1"]
["63505990","C[Si](C)C12C3(C(C)(C)C)C1(C(C)(C)C)C23C(C)(C)C"]
["79465644","CC(C)(N)C[Si](C)(C)C(C)(C)C"]
["175919748","CC(C)(C)P(C(C)(C)C)[Si](Br)(Br)Br"]
["171908986","CC(C)(C)[Si](C)(C)C(C)(O)Br"]
["93254039","CC(OCC(C)(O)C(C)C)C(=O)O"]
["168623348","C1=C\\[Ge+]2/C=C\\SC/C=C\\[Ge-](/C=C\\CS/C=C/2)/C=C/CC/1"]
["176677957","NCC#CC1=CCCC=C1"]
["74743797","C1=CSCS1.CC=CC"]
["175703365","[2H]C1CC=CSS1"]
["191901409","C1=CCSC=C1.C1=CCSC=C1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54"]
["161725454","C1=CSSC1.O"]
["172861634","C=C[S+]1CCC=CS1"]
["99595773","O=C1C=CCSC=C1"]
["174550076","C1=CSSC1.[SiH4]"]
["73999163","C1=CSSC1.Cl.Cl"]
["175950960","C1=CCSC=C1.CC.CC"]
["75532438","C1=CSSC1.N"]
["79241043","O=[Cl+]([O-])O.[O-][Cl+3]([O-])([O-])O.[O-][Cl+]O"]
["79575675","F.[O-][Cl+3]([O-])([O-])O"]
["74442185","N#N.[O-][Cl+3]([O-])([O-])O.c1ccccc1"]
["75254128","O=[Cl+]([O-])O.c1ccc(C2CCNCC2)nc1"]
["23168206","CC1=NC2=NC(=N)SCC2=CN1C.[O-][Cl+3]([O-])([O-])O"]
["157209783","CC(O)C(=O)O.[O-][Cl+]O"]
["91643902","Cn1c(=N)n(C)c2ccccc21.[O-][Cl+3]([O-])([O-])O"]
["78224693","O=[Br+]([O-])O.[Nd]"]
["172772776","CO.O=[N+]([O-])[O-].[Eu]"]
["59362825","Oc1csc(N2CCCC2)n1.[O-][Cl+3]([O-])([O-])O"]
["79804146","O=[Cl+]([O-])O.[Ag+].[Br-]"]
["64084190","Cc1cc(C)[nH]n1.[O-][Cl+3]([O-])([O-])O"]
["168446742","C1[Si+]C2[Si+]C[Si+]C3C4[Si-]C[Si-]C5[Si-]C[Si-]C([Si+]1)C(C23)C54"]
["103562442","Cn1nc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)ccc1=O"]
["7385717","Cn1nc(C(=O)NC[C@H]2C[C@H]3c4ccccc4[C@@H]2c2ccccc23)ccc1=O"]
["66570880","Cn1nc(C(=O)NCC2CC3c4ccccc4C2c2ccccc23)ccc1=O"]
["13170795","Cn1nc(C(=O)NC[C@@H]2C[C@H]3c4ccccc4[C@@H]2c2ccccc23)ccc1=O"]
["103562441","Cn1nc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)ccc1=O"]
["165025076","BB=BB=[B-]=[BH2-].[Ba+2]"]
["78557504","BB=BOCCC"]
["101519198","BB=BB=BB=BC#CN=BB=BB"]
["154920731","BB=BB=BB=BCC"]
["81859972","BB=BB=BCC"]
["161612567","BB=BB=BB=BSCC"]
["83485751","B#S(=BB=BB)CCC"]
["78623503","BB=BB=BB=O"]
["91604613","B#SB=BB=BB=BB"]
["159407445","B#S(=B)SB=BB"]
["148622459","BB=BB=NC"]
["83925472","B#S(C)=BB=BB=BB=BB"]
["183757694","O[As](O)(O)(S)S(SS)(SS)#SS"]
["79190503","NSSS"]
["79261132","N#CO.N#C[O-].[Na+]"]
["23332199","C=C(Cl)CSS"]
["178397449","C=C(Cl)C(Cl)=[NH+]SS"]
["175177473","CC(S)C(=O)OC(=O)SS"]
["79603587","OSSSS"]
["25384111","[O]CSS"]
["172326182","O=NC(=O)SS"]
["169733590","SS(S)(S)S#S(S)(S)S"]
["188517746","O=S(=O)(O)CCSSCCS(=O)(=O)O.O=S(=O)(O)CCSSCCS(=O)(=O)O.O=S(=O)(O)CCSSCCS(=O)(=O)O"]
["59361287","Cl.Cl.N=C(N)SS"]
["26844550","S=Cc1ccc(Pc2ccc(C=S)cc2C=S)cc1"]
["MCULE-5691744191","C=Cc1cccc(-c2ccc(C3CCC3)cc2)c1"]
["66676001","COc1cccc(Pc2ccc(S(=O)(=O)O)cc2)c1-c1c(OC)cccc1Pc1ccc(S(=O)(=O)O)cc1"]
["170798436","CCOc1ccc(C=CCC(=N)O)cc1C=O"]
["73900068","O=C(O)CCC(=O)c1ccc(C=S)cc1"]
["88115986","NC1(c2cc3ccc(F)cc3[nH]2)CCC1"]
["65735785","CC[N+](=Cc1cccc(C)c1Pc1cc(C)cc(C)c1O)CC"]
["172369442","C/C=C/c1ccc(C(=C2CCSCC2)c2ccc(O)cc2)cc1"]
["75095189","Cc1ccc(Oc2ccc(C=S)cc2)c(Cl)n1"]
["171839294","C=Cc1ccc([Si-](=[Si+])(CC)c2ccc(C=C)cc2C=C)c(C=C)c1"]
["89215303","C/C(=C\\CNC(C)C)c1ccc2nc[nH]c2c1"]
["24881693","Cc1ccc(OP(=O)(O)c2ccc(C=S)cc2)cc1"]
["100250305","C=CC1C(C=C)C(C=C)C(C=PP(P)P(C)P)C(/C=C(/P)P(P)P)C(C=C(P)P)C(C=C(P)P)C1C=CP.OP(=S)=S"]
["178559495","C=CC1C(C)C1C(F)(F)F"]
["100970816","C=C[C@@H]1[C@@H](C=C(C)C)[C@H]1C(=O)OC"]
["76250335","C=CC1C(C(=O)OC)C1C(C(=O)OC)C(=O)OC"]
["157940978","COC[C@@H](O)[C@H]1CC2CCC1CC2"]
["179630022","C=CC1C(C)C(C=C)C(C=C)C(C=C)C1C=C"]
["184369348","C=C[C@@H]1CC(COC)[C@H](/C=C/I)C1"]
["100263755","C=CC1COCC=C(N=C(C)CC)N1C(=O)COC"]
["178251852","C=CC1NN(C)NN1C"]
["69888565","C=CC1CC(C)=CC2NC12"]
["110973365","C=CC(O)=Nc1cc(Nc2ncc(P(C)C)cn2)c(OC)cc1N(C)CCN(C)C"]
["175128581","C=CC[NH2+]CCCCC.OP(=S)=S.[Mo]"]
["25205921","[C-]1C[CH+]SCC1"]
["145256211","NC1SCC2=C1OCCO2"]
["172359371","ClC1=C(Cl)SCC1"]
["161614110","CC1CC2CCSC2C1"]
["162416279","CC1CCC1NC1CCCSC1C"]
["79539868","[C-]1=CN[CH+]CC1"]
["162162293","C=C(C=O)C1(C)SCCS1"]
["100205809","O=S(C1SCCCS1)C1SCCCS1"]
["65995870","ClC1=NSCC1"]
["173304766","CC.CC.CC1SCCCS1"]
["32704387","CP(C)(=S)C1SCCCS1"]
["75702629","FC1SCCCS1"]
["97086028","[SiH3]C([SiH3])P1N2C=CN1C=C2"]
["119208897","CC(C)CC(O)=NC(C#N)CC(C)C"]
["162530142","CC(C)n1ccsc1=N"]
["181747588","CC(C)C1C=CON1C"]
["170673537","CC(C)/C=C1\\OC=CN1C(C)C"]
["164166380","Cc1ccc(C#N)n1C(C)C"]
["78662470","C=COC(C)[SiH3]"]
["162334736","C=C=C(C(C)O)n1cccc1"]
["173908210","CC(C)c1nc(C(C)[SiH3])cs1"]
["163097868","Cc1c(Br)cc(F)c(O)c1C(C)C#N"]
["16150151","Cc1ccc(/C=C/C(O)=N[C@H](C)C#N)s1"]
["85589340","CNCc1cn(C(C)C(C)O)nn1"]
["101058153","C1=[N+]=CC[Ge-]=C1"]
["99385290","[As-]=C1C=CC=[N+]=C1"]
["100216367","CCOC(=O)C1=CC=[N+]=CC1"]
["47583637","CC1=CC=[N+]=CC1"]
["184125797","C1=[N+]=CCC(Cc2ccccc2)=C1"]
["26798909","[CH]1CC2CCP1C2"]
["178401768","CCC1CC=[N+]=CC1"]
["180660880","ClC(Cl)(Cl)C1C=[N+]=CCC1"]
["26838922","c1cc(N2CC[N]CC2)cnn1"]
["60093582","C1=CC2C=CC1CCC2"]
["47849977","C1=CC=[N+]=C1.[Br-]"]
["100851892","C=C1[C-]=CC=C(Cl)C1"]
["187030353","[3H]B(B(F)I)I([3H])F"]
["56836923","C[N+](C)(C)B(I)I"]
["99621407","FB(F)F.[B+]=C=[N-]"]
["159752450","FB(F)F.[CH-]1CCC1.[K+]"]
["101383145","[3H]B(B)P(F)I"]
["51126190","FB(P)I"]
["79051856","F[C-]=CB(F)F.[K+]"]
["199316563","C=C(F)B(F)F"]
["59087500","N#CB(F)C#N"]
["169905737","CB(I)B(F)I"]
["78113922","F.OB(O)F"]
["78459641","OB(O)F.[Cr].[Cu]"]
["33626865","O=[PH]1[O+]=[Si-]C[Si-]=[O+]1"]
["67021437","C1CC[Si-]=[O+]C1.C=COC(C)=O"]
["25641813","O=C1CC=[C]O1"]
["79283041","C[SiH]1C[SiH](C)O[PH](=O)O1"]
["179030943","O=PO[C@@H]1CC12CNCC1(CC1)O2"]
["100359229","P[PH]1=PC1"]
["171324487","O=C1CC[Si-]=[O+]1"]
["76017010","O=[PH]1c2ccccc2Cc2ccccc21"]
["62140746","C1[O+]=[Si-]1"]
["51847115","CC1(C)C[Si-]=[O+][Si]1(C)C"]
["180177598","CC(C)I1C(=O)CCC1=O"]
["73545152","O=[PH]1COCCO1"]
["97017221","O=C=B[B+]C#[O+]"]
["167158856","O.O=[C]O.[Cr]"]
["62286185","O=[C]O.[Al+2]"]
["78263079","O=[C]O.[K+]"]
["101449961","O=[C]C1C(=O)CC1=O"]
["193349024","O=C=O.O=C=O.c1ccccc1"]
["97193384","C#CC#CB=O"]
["99343629","O=[C]O.[Bi].[Zn]"]
["79116077","O=[C]Cl.[Pd]"]
["26515407","BC([O])=C=O"]
["96724332","O=C=C1C=CC=CC1=S"]
["79445236","NCC(=O)C[C]=O"]
["79173692","Cl[SiH]=C=C[SiH2]Cl"]
["185585313","C=CC(=O)[SiH2]Cl"]
["161896229","[In+].[N-]=CC=[C]Br"]
["49120783","Cl[SiH]=[Si](Cl)Cl"]
["171763999","[In+].[N-]=C(I)C=[C]Cl"]
["79003030","CCN(CC)CC=C[SiH2]Cl"]
["54013231","ClC=C=CCl"]
["160739517","C=CC1CC=CC1.C=CC1CC=CC1.Cl[SiH2]Cl"]
["26893412","CCCC=C[SiH2]Cl"]
["79467297","FCC=[C]Cl"]
["79816277","C=CC[SiH2]Cl.F"]
["174906671","CC#N.C[SiH2]Cl"]
["167500802","O=C(O)C1([N+]#[N+]C2(C(=O)O)[N+]#[N+]N=[N+]2[O-])[N]N=N[N+]1=O"]
["180660841","CC1=[N+]=C(C2=NC(=O)C(C)(C(C)C)N2)C(C(=O)[O-])=CC1C"]
["174730317","CC1=NC=CNC1(S)C(=O)O"]
["190825583","NC1=CCC(F)(C(=O)O)C=C1"]
["108876120","CC(C)(C)[C@]1(C(=O)O)C=C[C@](C(=O)O)(C(C)(C)C)N=C1"]
["171657158","O=C(O)C1=C(C(=O)O)CC(C(=O)O)(N2C(=O)C=CC2=O)C=C1"]
["122638638","Cn1cc(C(=N)O)cc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C"]
["193798838","O=C(O)C1(O)C=CC(=C2C=CC(O)(C(=O)O)C(O)=C2)C=C1O"]
["49801514","NC1(C(=O)O)N=NN=N1"]
["98072419","CC1(C(=O)O)CC([PH](=O)O)=NN1"]
["65757063","O=C(O)C12C=NC(=NN1)C1=NC=CC=C3C=CC=CC312"]
["67889582","CSC1(C(=O)O)C=CC=CN1"]
["175925080","[B]1B=COOO1"]
["199974723","[B]1/C=C\\C=C/OON1"]
["79162597","[C]1=COOCC=C1"]
["174277127","C1=C2C=CC=CC=1N=NC=C2"]
["161689054","[B]1OC=COO1"]
["74323590","C1=COON1.c1ccccc1"]
["161689344","[B]1C=CC=NO1"]
["69589638","B1=C[N-][CH]C=C1"]
["25318003","C1=NOOO1"]
["175740385","B1=CC=C1.[Al]"]
["158858621","B1=CC=CON1.N"]
["MCULE-8470528892","[CH]1OOO1.[CH]1OOO1.[Mg+2]"]
["63239013","[3H]PP([3H])P([3H])P([3H])P([3H])P([3H])P([3H])P([3H])P([3H])P([3H])P([3H])P([3H])P[3H]"]
["177158629","[3H]PI.[Y]"]
["172155354","[3H]PPCl.[Al]"]
["66841611","[3H]PBr.[V]"]
["171966511","[3H]P[Si-]=[F+]"]
["83260833","[3H]P(F)PP"]
["177081907","[3H]PP=S"]
["145527729","[3H]POS"]
["194578917","[2H][O+]=PP([3H])P"]
["172075048","CC(C)(C)N(CPP)C(C)(C)C"]
["171890154","[2H]P([B])P([2H])P[3H]"]
["148791893","[2H]P(P[3H])P([3H])P"]
["180495544","CCNCCOc1[cH-][c-]([CH-]OC)[cH-][c-](OCCNCCOCC[Cl+]C(C)(C)C)c1OCC[Cl+]CCOCCOC(C)(C)C.[CH2-]COC(C)(C)C.[U+2]"]
["93895246","CC(C)(C)OCCOCCCCl"]
["23862070","CCNCCOc1c(C)cc(C)cc1Br.Cl"]
["61897029","CC(C)(C)OCCOCCN=C(S)Nc1ccc(S(N)(=O)=O)cc1"]
["68701473","CCNCCOC(c1ccccc1)c1ccccc1.[Cl-]"]
["50483827","C#CCCNCCOCCC(C)C"]
["95992478","CCC(N)C(OCCOC(C)(C)C)c1ccc(Cl)s1"]
["95112489","CC(C)(C)OCCOc1nccnc1C(=O)O"]
["91940427","CC(C)(C)OCCOCc1cc(N)ccn1"]
["45242405","COC(CN=C(O)N[C@](C)(Cc1ccc(-c2cncnc2)cc1)C(O)=Nc1cc(Cl)cc(Cl)c1)OC"]
["92130540","COCCCNCCOCCOCCOC"]
["84671892","CCCNCc1nc(C)ccc1OCCOCCC(C)C"]
["SN0470704","C=[SH]NC1C2C(C=CC1(C)O)C(C)(N[SH]=C)C=CC2C1(C)C=CC(C(C)(C)N[SH]=C)O1"]
["153344685","C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C=C[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1"]
["97893910","CC1(C)O[C@H]2C=C[C@@H](O)C3CC=C[C@@H](O1)C32"]
["6881216","COC(=O)[C@H]1[C@H]2C(=O)N([C@H](C)c3ccc(Br)cc3)C[C@]23C=C[C@H]1O3"]
["34108144","CC(C)(O)[C@@H]1C[C@H]2O[C@@]23[C@H](CC[C@@]2(C)[C@H]3CC[C@H]3Cc4c([nH]c5ccccc45)[C@@]32C)O1"]
["62451725","C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12"]
["MCULE-3653021949","CN[C@@H]1[C@H](O)C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)[C@H](OC)C[C@@](C)(O)C5)[C@](C)(O2)[C@@H]1O"]
["200125422","CN[C@@]1(c2cccc(OC(F)(F)F)c2F)CCC[C@](C)(O)C1=O.Cl"]
["97891979","COC(=O)[C@H]1[C@@H]2C=C[C@@]3(COC(=O)[C@@H]13)O2"]
["43847268","CCc1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)OC)[C@@H]4C2=O)cc1"]
["154019423","C=CC[C@@]1(O)C=CC[C@H]2[C@@H]3[C@H]4[C@@H](OC(C)(C)C)[C@H]2[C@H]1[C@H]34"]
["10042542","COC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN([C@H](C)c4ccccc4)C(=O)[C@@H]13)O2"]
["182730972","C(CCC1CC1)CNN(CCCCC(NCCC1CC1)(NCC1CC1)C1CC1)NCCCC1CC1"]
["95632830","O=[N+]([O-])c1cc(F)c(NCCCC2CC2)c2ncccc12"]
["85672620","CC1CCC(CCNCc2ccc(C(=O)O)cn2)CC1"]
["178020385","CCCCCC1CCC(C2CCC(c3ccc(/C=C/c4ccc(OCC)c(F)c4F)cc3)CC2)CC1"]
["91753573","CCNCc1ccc(Br)c(S(=O)(=O)NCCCC2CC2)c1"]
["134786505","O=S(=O)(CCC1CCCO1)NCCC1CC1"]
["118698102","CCN1CCN(C(C)CNC(=NC)NCCCC2CCCCC2)CC1.I"]
["184937544","CCCCCCC1CCC(COC2CCC3C4CCC(OCC5CC5)C(F)C4SC3C2F)CC1.O.O"]
["69570747","CCCCCCCC1CCC(C2CCC(c3ccc(C=CC(F)(F)F)c(F)c3)CC2)CC1"]
["187073224","COCc1ccccc1NCC1CCC(CCCC(C)C)CC1"]
["63367928","Cc1cccc(N(C)CCCCNC2CC2)c1"]
["95566626","CCCNC(CCC1CC1)c1c(C)cc(C)cc1C"]
["187854321","CC(C)(C)c1c(O)c(O)c2c(oc3c(O)c(O)c4[nH]c5c(O)c(-c6c(O)c(O)c(O)c(O)c6O)c(O)c(O)c5ooc4c32)c1O"]
["195417304","Oc1c(O)c(-c2ccccc2)c(O)c(-c2c3ccccc3c(-c3c(O)c(-c4ccccc4)c(O)c4oc5c(O)c(O)c(O)c(O)c5c34)c3ccccc23)c1O"]
["65839659","CC(C)(C)c1c(C(C)(C)C)c(O)c2ccccc2c1O"]
["21286107","CC[C@H](C)C(=O)c1c([O-])c(C)c2oc3c(C)c(O)c(C(=O)[C@@H](C)CC)c(O)c3c2c1O"]
["75066209","COc1cc2ccc(=O)oc2c(C(C)(C)C)c1O"]
["185577918","COc1ccc2[nH]c(C)c(CC(=O)O)c2c1C(C)(C)C"]
["99046534","CC(C)(C)c1n[nH]c2c(O)n(-c3ccc(-c4ccon4)cc3)c(-c3ccccc3F)c12"]
["195382148","Oc1c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c(O)c2c(oc3c(O)c4c(O)c(O)c(O)c(O)c4c(O)c32)c1O"]
["154185995","C=CC(C)(C)c1cc(O)c(O)c2c(=O)c3cc(CC=C(C)C)cc(O)c3oc12"]
["195803401","Oc1c(O)c(O)c(-c2cc3c4oc5ccccc5c4cc4c(-c5c(O)c(O)c(O)c(O)c5O)cc5c6oc7ccccc7c6cc2c5c43)c(O)c1O"]
["171799069","CC1(C)C2=C3C(O)=C(OOC4C(c5c(O)c(O)c(O)c6c5oc5c(O)c(O)c(O)c(O)c56)=C(O)C(O)=C4N(c4cccc5c4-c4ccccc4C5(C)C)c4c(O)c(O)c(O)c1c43)C(O)C2O"]
["170279022","Oc1c(O)c(O)c(-c2c(O)c(O)c(O)c(O)c2-c2c3ccccc3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3ccccc23)c(O)c1O"]
["101304327","[BH2-]1N2CC=CN2[BH2-][N+]2=[N+]1C=CC2"]
["173485684","[O-][N+]1=CCN(O)C=C1"]
["150414505","C1=CN2CC=NN2C1"]
["74070810","ClN1C=CCN(Cl)C1"]
["199295513","OC(O)(O)N1C=CC1"]
["181312995","NN1CC=CSC1"]
["76038180","CN1C=CCN(C)P1[O]"]
["26561598","C1=CN2Cc3ccccc3OC=C2C1"]
["79191571","[O]CN1C=CC1"]
["68681300","CN1C=CC1"]
["183620098","[N-]=[N+]=NS(=O)(=O)N1C=CC1"]
["170335793","CN1C=CCN1O"]
["98431732","Fc1sc(-c2sc(-c3sc(F)c(F)c3-c3sc(F)c(F)c3F)c(-c3sc(F)c(F)c3F)c2-c2sc(F)c(F)c2F)c(F)c1F"]
["26442081","O=S(=O)(O)c1sc(F)c(F)c1F"]
["195514448","C=CC1SC2=C(C(C)c3cc4c(cc32)C(C)c2c-4sc(F)c2F)C1F"]
["MCULE-8658656272","CCc1nc(C)c(-c2c(F)ccc(C=O)c2F)s1"]
["169727695","O=C1c2cc(-c3c(F)c(F)c(F)c(F)c3F)sc2C(=O)c2cc(-c3c(F)c(F)c(F)c(F)c3F)sc21"]
["MCULE-7377085750","O=Cc1ccsc1-c1c(C=O)ccc(F)c1F"]
["184994143","O=S(=O)([O-])c1sc(F)c(S(=O)(=O)[O-])c1F"]
["97289324","C[Si](C)(C)c1sc(-c2sc(-c3sc(F)c(F)c3F)c(F)c2F)c(F)c1F"]
["78538591","C[Si](C)(C)c1sc(-c2sc(-c3sc(I)c(F)c3F)c(F)c2F)c(F)c1F"]
["48125610","O=C([O-])c1cc(-c2ccc(Br)cc2)c(F)s1"]
["56208927","CCOC(=O)Cc1sc(F)c(F)c1F"]
["182959080","Fc1c(F)c(F)c([Si]2=CC(c3ccccc3)=C(c3ccccc3)C2)c(F)c1F"]
["196707405","CC1=C(N)[C@H]([C@H](/C=C(\\C)N)I=C(N)[C@@H](C)C2=C(C)[C@@H]3C(N)=C(N)C(N)=C(N)[C@H]23)I=C(N)C1[NH-]"]
["MCULE-8695895911","Cc1ccnc(C2CC2)c1-n1cc(C=NO)cn1"]
["76793861","CC(C=CC=O)C1CCC2(C)C3CCC4C(C)(C)C(=O)CCC45CC35CCC12C"]
["177050659","C[C@H](N=CO)C(=O)Nc1ccc(CON)cc1"]
["94433736","C#CC(C)NC(CN)c1ccc(OC)c(OC)c1OC"]
["MCULE-9609811209","Cc1cccc(O)c1Cn1nc(C2CC2)c(C(=O)O)c1C(F)F"]
["MCULE-5345259861","Cc1c(Cl)cccc1Cn1nc(C2CC2)c(CN)c1C(F)F"]
["MCULE-9072675034","CC(C)Cn1nc(C2CC2)c(CN)c1C(F)F"]
["112490126","CC(CN)c1ccc(CN2CCN(C)CC2C)cc1"]
["64142531","CC(CN)c1nc(O)cc(C2CC2)n1"]
["195367126","CCC(O)/C=C(/C)N"]
["181886198","CC(N)=CC(O)Cc1nc(C)[nH]c(=N)n1"]
["179951553","C1#CC2CC3C4C5CC6CC7C8C#CC3(C24C#CC8C1)C675"]
["180091974","CC1C2C3C#CC4CC5C(C)C6(C)C45C#CC34C1(C)C(C)(C)C2(C)C64C"]
["184509876","C1C2CC3C4C5C6C7C5C5C8CC9CC%10C6C4(C9%103)C53C7C1C283"]
["180289370","CC1C2CC3C#CCC1C3(C)C2C"]
["179119494","C1CC23C4CC1C2C1C2CC5CC6C4C52C613"]
["49042916","C1C2CC3C4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21CC%22CC%23C%24C%25C%26C%27C%28C%29C%30C%31C%32C%33C%34C%35C%36C%37C%38C%39C%40C1C23C%404C%395C%386C%377C%368C%359C%34%10C%33%11C%32%12C%31%13C%30%14C%29%15C%28%16C%27%17C%26%18C%25%19C%24%20C%22%23%21"]
["178089463","C1CC23C4CC5CC6C7C8C9C2C1CC1C2C%10C4C93C%108C27C516"]
["178762931","CC12C3CC4C[C@@H]5C6CC7CC(C3C761)C452"]
["184204192","C1#CC2CC3CC23C1"]
["178597157","CC12C3CC4C#CCC1CC2C4C3"]
["184606886","C1C2CC3C4C5C6C7C8C1C21C2CC9CC%10C%11C7C5(C81C62)C4%11C93%10"]
["187975919","B1C2=C1C1C3CC4CC5C6C7C8C9C%10CCC%11C%10C9%10C9SC9C89C8OC8C7(C7BC7C16C435)C2C1OC1C9C1OC1C%11%10"]
["18984873","CN=c1[nH]c(=[NH2+])[nH]c(NC)c1[NH3+]"]
["86277523","CCC(C)N=c1[nH]c(C)nc(NC)c1C"]
["69570821","CN=c1ccc(OC2CC2)c(F)[nH]1"]
["162694311","CSC1CCN(c2ncc(C)[nH]2)CC1"]
["53344256","CCc1c(C)[nH]c(-c2cc(Br)cs2)nc1=NC"]
["95114612","CCC1(N=c2cncc(NC)[nH]2)CCC1"]
["169923064","CNc1c(N(C)C)c2ccccc2[nH]c1=N"]
["115266748","CCC(Nc1[nH]c(=NC)c(F)cc1F)c1cccs1"]
["120830706","CN=c1[nH]cc(C2CCN(C)CC2)[nH]1"]
["43333310","CN=c1[nH]c(N(C)C2CCC(N)CC2)nc2ccccc12"]
["166881777","CN=c1[nH]c(N(C)Cc2c[nH]nc2C)ncc1F"]
["86337457","CNc1cc(=Nc2cc(F)cc(F)c2F)[nH]c(=N)[nH]1"]
["161696815","[O-]C1C=CC(=[Si+][O+]=[Si-])C=C1"]
["163624019","CC1=NC2C=CC(I)=CC2S1"]
["172739964","OC1C=Cc2c1cccc2C(F)(F)F"]
["74484095","[CH2+]C1C=CC(=C(C)[O-])C=C1"]
["99856938","[B+]=C1C#CC(C[O-])C=C1"]
["64266888","Cc1c(C)c(C)c(=C([O-])O)c(=[Si+][O+]=[Si-])c1C(C)(C)C"]
["173230622","CC1C=CC(C=O)=CC=C1[N+](=O)[O-]"]
["69689457","CC1(C)C(Cl)C=CC(=CCCl)C1Cl"]
["43183078","CC1=CCC([CH+]C=[Si-])C=C1"]
["181743218","CC(C)(C)C1=CC2(C(C)(C)C)OC2C=C1"]
["97845031","C[C@H]1C=CC(=O)CO1"]
["99836949","[O-]C(O)[O+]=[Si]=C1C=CC(F)C=C1"]
["50654928","Cl[Si]1(Cl)C[Si]2(Cl)C[Si](Cl)(Cl)C3[Si](Cl)(Cl)C[Si](Cl)(Cl)C4[Si](Cl)(Cl)C[Si](Cl)(C1)C2[Si]34Cl"]
["167301452","C[Si]12[Si]3(C)[Si]4(Cl)[Si]5(C)[Si]1(Cl)[Si@]1(C)[Si]6(Cl)C[Si]5(C)[Si@]5(Cl)[Si@@]4(C)[Si@@]4(C)[Si]3(Cl)[Si]3(C)[Si]2(Cl)[Si@]1(C)[Si@@]1(Cl)[Si@@]3(C)[Si@]4(Cl)[Si@]5(C)[Si@@]61C"]
["25897806","Cl[Si]1(Cl)CC[Si](Cl)(Cl)C1"]
["185446402","Cl[Si]1(Cl)CC[Si](Cl)(Cl)C([Si](Cl)(Cl)Cl)C1"]
["193634744","C[Si]1(Cl)C[Si](Cl)(Cl)C1"]
["184048221","O=[N+]([O-])C1=C(Cl)CCCC1[N+](=O)[O-]"]
["179851454","Cl[Si]12C[Si](Cl)(C1)C2"]
["42938360","Cl[Si]1(Cl)CC(Br)C(Br)C1"]
["44174788","Cl[Si]1(Cl)C[Si]2(Cl)C[Si](Cl)(Cl)C[Si](Cl)(C1)C2"]
["170924172","CC1CCC[Si]1(Cl)Cl"]
["26517367","CC1C[Si](Cl)(Cl)C1"]
["172739081","Cl[SiH]1CC[Si](Cl)(Cl)CC1"]
["78482900","CBB(B(B(BC)C(BC)(BC)BC)C(BC)(BC)B(BC)C(BC)BC)C(BC)(BC)BC"]
["149582260","CBC(C)C(C)(C)C"]
["78657135","CBB(O)O"]
["78597690","CBB(C)B(C)B(C)B(C)B(C)B(C)C"]
["164297346","CBC(C)(C)C(C)C(C)(C)C"]
["78584543","CBB(C)C(C)C"]
["188256704","CBC(Cl)(C(C)C)C(C)CC"]
["148747951","CC(C=[SH]([O])=O)[SH](=O)=O"]
["189229832","CBB(F)C(C)C"]
["161264302","CBC(C)CB1CC1"]
["150730823","CC(C)(C)CC(BBS)C(C)(C)C"]
["47148310","CC(C)(C)N(C(=O)O)C(CO)C(=O)N1CCOCC1"]
["65356199","CB=BB1[B+][B-](=BC)B=[B-](B=BC)[B+][B-](=BC)[B+]1"]
["170679086","C[Si](C)(C)C1B=[B-]2[B+]B2C1[Si](C)(C)C"]
["173672009","CC(C)B1B=[B-](C(C)C)[B+]1"]
["101771351","CO[14c]1[14cH][14cH][14c](C([14c]2[14cH][14cH][14c](OC)[14cH][14cH]2)C(Cl)(Cl)Cl)[14cH][14cH]1"]
["21691669","[O-][C@H](C(O)=NCN=C(O)[C@@H]([O-])C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"]
["45313416","CCOP(=O)(CC)C(O)C(Cl)(Cl)Cl"]
["54900702","COP(=O)([O-])OC.OC(Br)C(Cl)(Cl)Br"]
["170990320","COC(=O)[C@H](O)CC(=O)[C@@]1(C)[C@@H](C)[C@@H]1CCC(C)=O"]
["153002845","COCn1nnnc1C(O)[C@H](C)N=C(O)OC(C)(C)C"]
["32700158","COP(=O)(OC)C(OC(=O)C(F)(F)C(F)F)C(Cl)(Cl)Cl"]
["99356271","CC(C)C(Cl)([O+]=[Si-])C(C)C"]
["91221670","COCN(C)C(=O)C(O)C(Cl)(Cl)Cl"]
["102189912","CC[C@H](N=C(O)C(C)(C)OC)C1CC(O)C1"]
["60800987","COc1cc(/C=N\\n2c(S)nnc2C(F)(F)Cl)cc(OC)c1[O-]"]
["26074730","COOCC(C)OC(C)(C)OC"]
["165176738","Cc1cc(Cc2cc(CCC(C)(c3cc(I)c(O)c(I)c3)c3cc([C@@H](C)c4cc(I)c(O)c(I)c4)c(O)cc3O)c(O)c(Cc3cc(I)c(O)c(I)c3)c2C)c(C)c(Cc2cc(I)c(O)c(I)c2)c1O"]
["26985222","CCCCc1cc(C(C)c2cc(CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1"]
["MCULE-3641987162","Cc1cc(O)c(C(C)n2nc(C(F)(F)F)c(N)c2N)cc1C"]
["159412915","Cc1cc(C(C)(c2ccc(C(C)(c3cc(C)c(O)c(I)c3)c3cc(C)c(O)c(I)c3)cc2)c2cc(C)c(O)c(I)c2)cc(I)c1O"]
["155389361","CC1=C(c2ccc3nc([C@@H](Cc4cc(I)c(O)c(I)c4)N=C(O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NN=C(O)C1"]
["74383501","COC(C)(C)c1ccccc1CC[C@@H](OS(C)(=O)=O)c1cccc(/C=C/c2ccc3ccc(CI)cc3n2)c1"]
["172354243","CCC(C)c1cc(C(C)(C)C)c(O)cc1C(CC)(CC)CC"]
["158558016","Cc1cc(Cc2cc(O)c(Cc3cc(C)cc(C(C)(C)C)c3O)cc2C)c(O)c(C(C)(C)C)c1"]
["194637954","CCCC(C)c1ccc(CCc2c(C)cc(C3CCC(C)CC3)c(C(F)(F)F)c2C(F)(F)F)cc1"]
["170066932","C=C(Br)COCc1cc(C)c(O)c(O)c1C=O"]
["15725404","Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)c(C)c1"]
["MCULE-6618260389","Cc1cc(C)c(O)c(-n2nc(C(C)C)c(C(F)F)c2I)c1"]
["76239814","[1CH2]=[1CH][1CH2][1CH]([1N]([1CH2][1C]#[1C][1CH2][1O][1CH3])[1CH2][1C]#[1C][1CH2][1O][1CH3])[1C]([1CH3])(Cl)Cl"]
["175733246","S.c1cc2[nH]c3ccc([S+]4CCCC4)cc3c2cc1[O+]1CCCC1"]
["163996293","COc1ccc2[nH]c(CN=C(O)c3c[nH]nc3C3CCCCC3)cc2c1"]
["158516565","O=C([C@@H]1C[C@@H](F)CN1C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)N1CCOCC1"]
["6930089","COc1ccc2[nH]c(C)c(CC/N=C(\\c3ccc(Cl)cc3)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c2c1"]
["MCULE-2625822100","Cc1ccc2[nH]nc(CNCCCCCO)c2c1"]
["157381249","O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2c(F)cccc2[nH]1"]
["66457070","N#Cc1cccc2[nH]c(B(O)O)cc12"]
["MCULE-9714108741","CC(=O)N(C)Cc1cc(N(C)C)nc(C2CCCN2C(=O)c2[nH]c3ccccc3c2C)n1.Cl"]
["123252249","CCN=C(O)CN=C(O)N1CCC(c2c(C)[nH]c3ccccc23)CC1"]
["4379648","C[C@@H]1CCCN(c2ncnc3c2[nH]c2ccc(Br)cc23)C1"]
["31520758","O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc[nH]1"]
["145251508","Brc1ccc2sc3cc4[nH]c5ccccc5c4cc3c2c1-c1ccccc1"]
["100247176","O[Si](O[Si]1(C2CCCCC2)O[Si](O)(C2CCCCC2)O[Si]2(C3CCCCC3)O[Si](C3CCCCC3)(O[Si@H](C3CCCCC3)O[Si@@](O)(C3CCCCC3)O2)O1)C1CCCCC1"]
["104081909","CCN(CC)CCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)C1CCCCC1"]
["181857031","C1CCC([SiH]2O[SiH](C3CCCCC3)O[SiH](C3CCCCC3)O[SiH](C3CCCCC3)O[SiH](C3CCCCC3)O[SiH](C3CCCCC3)O2)CC1"]
["105857735","CN(C(=O)c1ccc(N=C(O)C2=NO[C@H](c3ccccc3)C2)cc1)C1CCCCC1"]
["52297892","CO[Si]1(C2CCC2)O[Si](OC)(C2CCC2)O[Si](OC)(C2CCC2)O[Si](OC)(C2CCC2)O[Si](OC)(C2CCC2)O1"]
["78553407","CO[Si](O)(O[Si]1(C2CCCCC2)O[Si](C)(C2CCCCC2)O[Si](O[Si](O)(O[SiH](O)C2CCCCC2)C2CCCCC2)(C2CCCCC2)O[Si](O)(C2CCCCC2)O1)C1CCCCC1"]
["180759644","CCCC[SiH]1O[Si](OI)(C2CCCCC2)O[SiH](C2=CCCCC2)O[Si@](O)(C(CC)CCC)C(C)(C2CCCCC2)O[Si](O[Si]([O-])(O[Si@@](C)(O)C2CCCCC2)C2CCCCC2)(C2CCCCC2)O1"]
["90817492","CC(C)(C)OC(O)=NC(C#C[Si](C)(C)C)C1CCCCC1"]
["100942329","CCCCC(CC)COc1cc(CCl)c(OCCC[Si](C)(C)O[Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O3)O[Si](C3CCCC3)(O4)O[Si](C3CCCC3)(O5)O2)cc1CCl"]
["96730182","CCO[Si](C)(C)CC[Si](C)(C)O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O3)O2"]
["160911175","CN1CCC(CNC(O)=NCC2CCCCC2)(N2CCOCC2)CC1"]
["171895251","C[Si](O[Si](C)(C)O[Si](C)(C1CCCCC1)C1CCCCC1)C1CCCCC1.[S].[W]"]
["175825639","[2H]OC(=NBr)N(Br)Br"]
["174858513","O=NO.[Fe].[Fe]"]
["164068067","[2H]N=C(O[2H])C([2H])([2H])I"]
["174766613","CC(O)=NBr.CC(O)=NBr"]
["62085534","CSC(N)/N=C(\\C)N(C)C"]
["161683235","[2H]OC(=O)O[2H]"]
["97268474","[2H]OC(=NC([2H])([2H])C(=O)O)C([2H])([2H])[N+]([2H])([2H])[2H]"]
["182615431","[N-]=[N+]=NC(O)(I)N(Cl)Br"]
["186557866","C=CN(N=C)C(C)(F)F"]
["173058870","O=NO.[HH]"]
["176059091","[2H]OC(=O)C(C)(C)Br"]
["24635126","[2H]OC(C)=O"]
["78292266","C1C[C+]1C1(C2([C-]3CC3)CC2)CC1"]
["89183805","CC1C(N)C12CCCCC2"]
["181833178","[NH3+]NN1CCC(S)(S)CC1"]
["163940507","[NH3+]C12CCC([NH3+])(CC1)CC2"]
["184667361","CC12CCC[C-](C1)C2.[I-].[Mg+2]"]
["162845183","CC1(C)[C@@H]2CC[C@@]1(C)[C@@](N)(O)C2"]
["96808686","[SiH3]C12CC[C+](CC1)CC2"]
["101121363","[C]1C2(CCCC13CC3)CC2"]
["97122372","[SiH3]C12CC[C+](CC1)C2"]
["58171291","FC1(F)CCCCN1"]
["161680090","C1C[C-](C23CCC2[Se]3)C1.[Li+]"]
["168487673","FC(F)(F)[C+]1CC[C-](C(F)(F)F)C1([Si+])[Si-]"]
["79329671","[CH2+]SCCSCCSCCSC[CH2-]"]
["149614909","NNSCCCCSNN"]
["185630320","CCSCCSCCSCCCS"]
["17115183","CCCCSCCOCCCCOCCSCCCC"]
["85094664","CCCCSCCC1CCCC1(CO)NCC"]
["174573383","[Bi+].[CH2+]C[CH2-].[Cl-]"]
["101278097","C[Si](C)(Cl)CCSCCSCC[Si](C)(C)Cl"]
["175305767","[CH2-]CC.[NH2-].[Zr+2]"]
["97082607","OCCOCCSCCSCCOCCSCCO"]
["177552507","CN(C)CCn1nnnc1SCCSCCSc1nnnn1CCN(C)C"]
["187632732","CCOCCSCCNC(C)(C)C"]
["195278354","CCSCCNCCSCC.Cl"]
["84190935","C[Ge](C)=S=[Ge-](C)(C)[S+]=[Ge](C)C"]
["91047156","C[Ge](C)=C(C(=[Ge](C)C)C(F)(F)F)C(F)(F)F"]
["74659126","CN/C(O)=C1\\C(=N)CC[C@H]1C"]
["26576756","Cn1cnc(SCI)n1"]
["84191338","C[Ge](C)=S=[Ge](C)C"]
["100979268","C=[Ge](C)[Ge-](C)(C)C.[Li+]"]
["169903079","CN1CC2=CCCC(=N)C2=[N+]1C"]
["174948125","CN(C)SC(=O)S.[Ni].c1ccsc1"]
["97376251","[C-]#S[C+](C)C"]
["91511139","C[Ge](C)=S=[Ge](C)C.C[Ge](C)=S=[Ge](C)C"]
["170793467","CSC#CS(C)=[C-]S"]
["26072845","CSCI"]
["79500818","FCC(CF)=C(CF)C(CF)(CF)C(CF)(CF)C(CF)(CF)CF"]
["78462395","O=C([O-])C(F)(F)C(=O)CF.O=C([O-])C(F)(F)C(=O)CF.[Fe+2]"]
["52997916","FCC(F)(F)CI"]
["46748176","CCO.FCC(F)(F)F"]
["26571250","NC(CF)(CF)C(=O)CC(F)(F)F"]
["79201238","FCC(F)(F)[C]=S"]
["91069042","OC(CF)(CF)CCC(F)F"]
["157921436","C[C@H](O)CC[C@@H](O)CF"]
["61154899","CC(F)(F)C(CF)(CF)C(F)F"]
["65980717","Oc1ccc(C(CF)(CF)c2ccc(O)cc2)cc1"]
["MCULE-7502162057","CC(C)(CF)CCO"]
["181444316","O=S(=O)(O)CCC(CF)(CF)CF"]
["79457875","[Mo+].[O-]C1(N(S)S)OS1"]
["174046420","O=C(S)CC1(N(S)S)CCSCC1"]
["79089335","O=C([O-])N(S)S.[Mo+2].[O-]S"]
["84015305","CC1(C)OSC1(C)C"]
["67266137","CN(C)S.c1ccccc1"]
["101267478","[O-]C1(C2([O-])C=CN=C[CH+]2)C=CN=C[CH+]1"]
["79633699","NC1([O-])SS1.[Mo+]"]
["185435022","CC1([O-])SCCS1"]
["150103934","C1=CC2(OS2)C2SOC2C1"]
["174972652","NC1(N)OS1.[Zn]"]
["101726878","[O-]C1([O-])OO1.[Zr+4]"]
["79804360","OC1(N(S)S)OS1.[Zn]"]
["81650166","[S]SSSSSSSSSSSSSSSSSSSSP(I)I"]
["98507490","CSSSSSSSC"]
["79818635","BP(C)I"]
["190780398","IP(I)I.S=C=S"]
["183043476","CC(C)CCCSSP(=S)=S"]
["188966681","CSSP(C)C"]
["78489949","S=P(I)=S(I)I"]
["150583362","B#P(C)S(=S)(=S)SSSSSSSSSSSS"]
["57942316","N=P(=S)I"]
["176343151","S=C(I)P(I)I"]
["175906175","FSSSSSI"]
["177766695","N#C/C=C/SP(I)I"]
["44066573","[CH2]OB(O[CH2-])[O+]=C"]
["78295975","[CH2]OC.[CH2]OC.[Sn]"]
["61457727","C=[O+]P([O-])[O-].[CH3-].[Y]"]
["157317178","FB(F)F.[CH2-]OC(C)C.[K+]"]
["79438538","[CH2]OC(=O)C(=O)O"]
["78280264","C=[O+]CO[CH2-].[Al].[H]"]
["79486701","[CH2-]O[O+]=C(C(C)(C)C)C(C)(C)C"]
["25209088","C=[O+]C[CH2-]"]
["189785339","[CH2-]OC.[K+]"]
["52767229","C=C=[O+][CH2-]"]
["181148380","[CH2]OC.[CH3].[Sn]"]
["79369429","C=[O+]C(C)CCC[CH2-]"]
["67066047","N=CO[Si](OC=N)C(C=[Si](OC=N)OC=N)=[Si](OC=N)OC=N"]
["185142674","N#CC(N)=C(C#N)OC=N"]
["184589027","C[Cl+]/C([CH-][O-])=C(\\F)C=N"]
["79931482","CN=C(O)ON=C(O)SOC=N"]
["99251805","CCCO[Si](=CC(C(=N)O)=[Si](OCCC)OCCC)OCCC"]
["150317042","CC=CC=C(C)C(=CC)OC=N"]
["79542059","N=CO[SiH](C=C([SiH](OC=N)OC=N)[SiH](OC=N)OC=N)OC=N"]
["83734018","CCCO/[N+]([O-])=C/C(=N)O"]
["180808466","CC(C=N)OCC(O)CO"]
["165837700","N=C(O)/C=C(/Cl)C(=N)O"]
["83734017","CCO/[N+]([O-])=C/C(=N)O"]
["179672784","[CH+]=C(C=N)OC=N"]
["79340122","[2H][Si]1([2H])O[SiH2]O[SiH2]O[SiH2]O[Si]([2H])([2H])O[Si]([2H])([2H])O1"]
["79915566","C.O1O[SiH2]O[SiH2]1"]
["181313750","c1ccc([Si]2(c3ccccc3)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1"]
["181055290","O=C=NCCC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1"]
["78588215","CC(C)C[Si]1(CC(C)C)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O1"]
["185435832","FC(F)(F)[SiH]1O[SiH2]O[SiH2]O[SiH2]O1"]
["175519231","FC(F)(F)CC[SiH]1O[SiH2]O[SiH2]O[SiH2]O1.FC(F)(F)CC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1"]
["175700818","CCC[SiH]1O[SiH2]O[SiH2]O[SiH2]O1.O"]
["161731800","C=C[SiH2]C(OCC)OCC.O1[SiH2]O[SiH2]O[SiH2]O[SiH2]1"]
["193678016","CCCCC(OC)(C(=O)c1ccccc1)C(=O)c1ccccc1.O1[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]1"]
["182084929","CCCCCCCCCC(=O)[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1"]
["79136918","C[Si]1(C)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[Si](C)(C)O1"]
["96702908","[2H]C#CC#C[C]=[C+][2H]"]
["32686053","[2H]C#CC(=O)OC"]
["97400603","[2H]C#CC#[C]"]
["25023770","C#CC#CC#CC#C"]
["62905325","C#CC#CC#CC#CC#CC#CC#CC#C"]
["110846426","C#CC#CC#COOC#CC#CC#C"]
["190367399","C#CC#CC#C.[HH].[HH]"]
["62109247","C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C"]
["97307612","[2H]C#CC([2H])=C([2H])[2H]"]
["184642015","[C-]#CC#CC#C.[C-]#CC#CC#C.[Ca+2]"]
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["59118742","C=PPPP"]
["161680575","[CH+]=CN[P-].[In]"]
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["97577772","C=C1OC(=O)[C@H](Br)[C@]1(C)Br"]
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["26164300","C=CC=C1CC1(C)C"]
["34303407","C=C1C(=C)C(C)(C)CCC1O"]
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["53907632","CC(C)c1[c-]ccn[c-]1.[Rh].[Rh]"]
["181750342","[CH2-]N.[Mg+2].[c-]1ccccc1"]
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["44226872","ClCC1C[Se]CC(CCl)[Se]1"]
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["190940830","COC1(c2c(Cl)c(O)cc3oc(=O)ccc23)OOC12C1CC3CC(C1)CC2C3"]
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["51512372","COc1cc(CN=C(O)CCN=C(O)NC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccncc1"]
["97195973","C=[C+]/C=C\\[C-]=C.[Be]"]
["172524515","C=[C+]C=[Si][Si]#[Si-]"]
["79855204","C=[C-]C=C.[Ca+2]"]
["161707114","C=[C-]C.C=[C-]C.[Fe+2]"]
["173018776","C=[C-]C.N.[Na+]"]
["194364116","C=CC.C=CC.C=CCl"]
["173095789","C=[C-]/C=C\\C(=C)C=Cc1ccc(C)cc1.[Y]"]
["161654413","C=[C-]C.[Mn]"]
["173370639","C=C/C=C\\C(=C)C(C)(C)C.[C-]#C/C=C\\[C-]=C.[Y]"]
["78201193","C=CCl.CC"]
["102896091","C=[C+]C=N"]
["174162122","C.C=[C-]/C=C\\C1N=[C-]N=CC1=C=CC.[Y]"]
["195641528","C=NCCNCCC1NCCN[N+](C)([N-]CCNC(CN=C)CNCCN=C)N1"]
["111275183","CC(C)C(CNCCC1CNC1)C(C)C"]
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["184550157","C=NCCCC(O)CN=C"]
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["195652290","C=NCC(CNCCN)NCCN"]
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["178421973","O=C1CC2C=CCC2P1"]
["162039242","OC1C=CCC2COCC2C1"]
["58751382","O=C1CC2C=CC(CC2)C1"]
["184379914","C1=CC(C2CCC2)C(CCC2CCC2)=CCC(C2CCCC2)C1"]
["34347705","CC[C@H]1/C=C/C[C@@H](C)C(O)=NCCC1"]
["185170448","C=CC1CC=CC(C2CCCCC2)C1"]
["174247183","C=C(O)C1=CC2CC23NC(C)C2CC=CC2C32CC12.O"]
["161900282","[CH-]1C2CB3CC1CC(C3)C2.[NH4+]"]
["97775015","C[Si](C)(C)C(/C=C/C(=C1\\CC2CC3CB1CC(C3)C2)[Si](C)(C)C)=C1/CC2CC3CB1CC(C3)C2"]
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["183636021","[C-]#[N+]N(C(=O)SC#N)C(N(N=C=S)OS(=O)([O-])=N[N+]#N)=S(C#N)N[N+](=O)[O-]"]
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["185027043","[C-]#[N+]S(=C=NOC#N)(C#N)(SC#N)[N+](=O)[O-]"]
["183976071","[C-]#[N+]C(C#N)(CCCCCCCCC(N=C=O)(ON=C=S)OSC#N)[N-][N+]#N"]
["181964700","[C-]#[N+][Si](N=C=S(C#N)C#N)([N-][N+]#N)SC#N"]
["181958629","[C-]#[N+]S(C#N)(N=C=S)[N-][N+]#N"]
["182046559","N#CSS(=C=NN=[N+]=[N-])(C#N)(N=C=O)[N+](=O)[O-]"]
["192454000","C/C(=N/SC#N)c1ccc(/C(C)=N/N=C=S)o1"]
["148998255","O=c1c(/C=C/c2cccs2)n[nH]c2nc(-c3cccs3)c3c(S)nc(=S)nc-3n12"]
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["99207895","[N-]=[N+]1Nc2ccc3c(c2N1)[C-](O)C=C=C3.[Na+]"]
["181507574","COc1cc(OC)c(N=C(S)[N-]c2ccc(S#[N+]N=[N-])cc2)cc1Cl"]
["89316363","CC(=O)c1sc(=N)[nH]c1-c1ccc(OC(C)(C)C)cc1"]
["64539313","OS1(O)N=[C]Nc2cc(F)ccc21"]
["67304930","Nc1cc(C(=O)O)c2c(C(=O)O)cc3[nH]c4cc(C(=O)O)c5c(C(=O)O)ccc6c1c2c3c4c56"]
["174387407","CC1=C(C)[C-](C)C=C=C1.[Pr]"]
["79726786","[N-]=[N+]1Nc2ccc3c(c2N1)[C](O)C=C=C3.[Na+]"]
["101148884","CC(C)(O)C#C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["23769852","C1=C[CH]c2ccccc2C=1.[Br-].[Mg+]"]
["175762006","C1=Cc2ccsc2C=1.[Zr]"]
["173056627","CC1=C2CC(C)(C)O[C-]2C=C=C1.[Cs+]"]
["173392432","C1=C[CH-]c2ccccc2C=1.[CH3-].[Cm]"]
["97019203","[N-]CCC1=CC(=[OH+])C2=[N+]=CC(=C3C=[N+]=C4C(=[OH+])C=C(CC[N-])C=C4S3)SC2=C1"]
["196000254","CCC1=CCC2N=C(O)SC2=C1"]
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["48676585","CCC1=CC(=[N+]=[N-])C(=[OH+])C=C1"]
["84133635","O=C1C=C2SC(=O)C(Br)=C2S1"]
["73995304","CC1=CC(=[OH+])N=[N+]=C1"]
["163237085","CN(C)CCc1csc(N)c1C#N"]
["97050272","[N-]CCC1=CC(=O)C2=[NH+]C=[S+]C2=C1"]
["162750754","CC1=CC(=C2C=NC(=S)C=N2)SN1"]
["78475863","CCC1=C(CC)C2=NC1=CC1=NC(=CC3=C(CC)C(CC)C(=CC4=NC(=C2)C(CC)=C4CC)N3)C(CC)=C1CC.[Pt]"]
["66840396","C[Si-]=[Si](C)[Si]1(C)[Si](C)=[Si](C)[Si]2(C)[Si+](C)[Si]3(C)[Si]4(C)[Si](C)=[Si](C)[Si](C)([Si](C)=[Si]4C)[Si]3(C)[Si](C)[Si]12C"]
["63192730","C[Si]1=[Si-](C)(C)[Si](C)(C)[Si+](C)[Si](C)(C)[Si]1(C)C"]
["59475743","CC1[Si](C)=[Si](C)[Si](C)([Si]2(C)[Si](C)=[Si](C)[Si-]3(C)=[Si](C)[Si]4(C)[Si]5(C)[Si](C)=[Si](C)[Si](C)([Si](C)=[Si]5C)[Si]4(C)[Si](C)[Si]23C)[Si+]1C"]
["161799996","C[Si]1=[Si](C)[Si]2(C)[Si](C)=[Si](C)[Si]12C"]
["100889741","C[Si+]1[Si](C)(C)[Si]2(C)[Si](C)(C)[Si](C)(C)[Si]1(C)[Si]2(C)C"]
["54250394","C#CC#CP(C#CC#C)CCC(=O)N1CCN(C(=O)CCC#CC#CC#CC#CPPPPP)CC1"]
["65724291","COC(=O)CCS(=O)(=O)CC(=O)N1CCC(C(=O)O)CC1"]
["10434654","COc1ccccc1CCC(=O)N1CCN(C(=O)[C@@H]2C=c3ccccc3=[NH+]2)CC1"]
["115902181","O=C(CCNc1cc(Cl)ccc1Cl)N1CCOCC1"]
["64268385","CC(C)CC(=O)N1CCN(C(=O)C2CCCC2N)CC1"]
["89139723","CC(C)N=C(O)N1CCN(C(=O)CCN)CC1"]
["131685478","C#CCN1CCN(C(=O)CC(C)c2cccc(C(F)(F)F)c2)CC1"]
["63490328","O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1"]
["125722632","O=C(CNc1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)cc2)CC1"]
["166333584","O=C(CCN=C(O)c1ccsc1)N1CCN(C(=O)C2CCCC2)CC1"]
["21488344","CC[C@@H](C)NC(O)=NCCC(=O)N1CCN(CC)CC1"]
["125080722","CC(C)NC(=O)C(=O)N1CCN(C(=O)CCc2ccnn2C)CC1"]
["178931395","Nc1ncnc2c1ncn2[C@@H]1OC2COP(O)(=S)O[C@@H]3[C@H](O)[C@@H](COP(O)(=S)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(O)nncc21"]
["200630776","[N-]=[N+]=NC[C@H]1O[C@@H](n2c(SCC(O)=NC[C@H]3O[C@@H](n4c(Br)nc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O"]
["78512395","CC(C)(C[C@@H]1[C@H](CC(C)(C)[Si](C)(C)O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1cnc2c(NC3CCOC3)nc(-n3cc(C=O)nn3)nc21)[Si](C)(C)O"]
["182625283","Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)Cc2ccccc2)[C@@H](O)[C@H]1O"]
["150587897","N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]5[C@H]6OC[C@]5(COP(O)(=S)O[C@@H]3[C@H]4F)O[C@H]6n3cnc4c(N)ccnc43)c2[nH]1"]
["186233707","Nc1ncnc2c1ncn2COCCOP(=S)(S)OP(=O)(O)OP(=O)(O)O"]
["83283508","CN(C)c1cccc2c(S(=O)(=O)NC3C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC3n3cnc4c(N)ncnc43)cccc12"]
["65530646","OCC1OC(n2cc(Cl)c3cncnc32)C(O)C1O"]
["57569907","O=[N+]([O-])c1cc(I)c(O)c(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1"]
["100963430","CCOC(=O)C(CC/C=C(\\Br)[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O)N=C(O)OC(C)(C)C"]
["189915902","CC(C)(CCN(CC[C@H](N=C(O)OC(C)(C)C)C(=O)OC(C)(C)C)C[C@H]1O[C@@H](n2cnc3c(N=C(O)OC(C)(C)C)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)N=C(O)OC(C)(C)C"]
["48944234","N=c1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1OCc1cc(F)cc(F)c1"]
["172738969","C=CC(N)=C(c1ccc(O)cc1)c1ccc(C(=C2C=CC(=O)C=C2)c2ccc(C(c3ccc([O-])cc3)=c3ccc(=C=C4C=C[C+](O)C=C4)[nH]3)[nH]2)[nH]1.[Co]"]
["59900072","CC(C)N1NC(=C2C=CC(=O)C=C2)c2cccc(-c3ccc(O)cc3)c21"]
["75333133","O=C1C=CC(=C(/N=N\\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(O)cc2)C=C1"]
["43355608","CC(=O)C(=NNc1ccc(C(=O)NNC=C2C=CC(=O)C=C2)cc1)C(C)=O"]
["65272422","COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1Cn1ccc([N+](=O)[O-])n1"]
["168496450","Cc1ccc(/C(c2ccc(/C=N\\Nc3ccccc3)[nH]2)=c2\\ccc(=CN=Nc3ccccc3)[nH]2)cc1"]
["188276519","Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(C2CCNCC2)cc1)c1ccccc1"]
["171321449","C=CC(=O)O/C(=C(/C(=O)c1ccccc1)c1ccc(O)cc1)c1ccccc1"]
["168147517","O=c1[nH]c2cccnc2nc1/C=C(\\O)c1ccc(O)cc1"]
["183060223","CN1CCn2c(CC(C)(C)C)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)C(C)(C)C)cc1)CC2"]
["184923289","CC/C(=C(\\c1ccc(O)cc1)c1ccc(ON2CCN(C3CC4C(=O)N(C5CCC(O)=NC5=O)C(=O)C4CN3)CC2)cc1)c1ccccc1"]
["90812466","O=C1C=CC(=O)C(C2=c3ccc([nH]3)=C(c3cc([O-])ccc3O)c3ccc([nH]3)C(c3cc([O-])ccc3O)=c3ccc([nH]3)=C(c3cc(O)ccc3O)c3ccc2[nH]3)=C1.[Zn+2]"]
["173185790","C1=CC2NC=[NH+]C2C=C1"]
["173092701","C=CS(=O)(=O)C1C=CC=CN1"]
["63750256","C1=CC2NC3CNC=CC3C2C=C1"]
["173781746","O=C1C/C=C\\C=C/CNC2C=CC=CC12"]
["47040053","OC1=NC[C@@H]2C=C[C@@H]2N1"]
["177800329","CC(C)C1CNC2C=CC=NC21"]
["MCULE-9796760713","CC(C)(C)OC(O)=NCC1=CNC2C=CC=C(CN)C12"]
["153916555","CC1(C)CC2=C(S[C@@H]3C=CC=C[C@H]3N2)C(=O)[C@H]1C(=O)C(N)=O"]
["52464171","O=C(c1ccccc1)c1cccc(C2=CC3C=CC=CC3N2)c1"]
["172417087","O=S(C1C=CC=CS1)C1C=CC=CS1"]
["46005946","C1=CCC2CCNC2C=C1"]
["4656987","CC[C@]12CN3C[C@](CC)(CN(C1)[C@@H]3C1C=[NH+][C@@H]3C=CC=C[C@@H]13)C2=O"]
["50020739","NNc1nc(Cl)c(Cl)c(C(Cl)(Cl)Cl)n1"]
["86434568","Cc1cccc(Sc2cc(NN)nc(C)n2)c1"]
["75649909","CC(C)c1ccc(C(C)(C)C)c(Cl)n1"]
["86439103","CCN(Cc1ccccn1)c1cc(NN)[nH]c(=N)n1"]
["100454433","NNc1nc2c(Cl)cc(N=C(O)C3CCCCC3)cc2s1"]
["99651139","Cl/C=C/Cc1sc(Cl)nc1Cl"]
["75531183","Cc1ccc(-n2nc3cc(C(F)(F)F)nc(C(F)(F)F)c3c2N)c(Cl)c1"]
["86425243","CN(C)c1nc(NN)nc(OCC2CCCCO2)n1"]
["12404162","NNc1nc(-c2ccccc2)cc(C(F)(F)F)n1"]
["86440092","CC1CCN(c2nc(NN)nc(-n3cccn3)n2)CC1"]
["168899004","Cc1nc(F)cc(C(F)(F)F)c1Cl"]
["181543825","CC(C)(N=[N+]=[N-])c1cc(Cl)nc(C(F)(F)F)c1"]
["149977538","O=C1N2CN3C(=O)N4CNC(N=C(O)N5C(O)=NC3C45)C3NCN4C(O)=NC5C4N(C(=O)N5CN4C(=O)N5C6C4N=C(O)N6[N+](=O)C(C4NCN1C1C2N=C(O)N1CN4)[N+]5=O)[N+]3=O"]
["16096859","CCc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1"]
["82151832","CCN1Cc2cc3c(cc2C1)[n+](=O)[nH]c(=[NH2+])n3O"]
["149669452","O=C1N2CN3C(=O)N4C(O)=NC(NCN5C(O)=NC3C54)C3NCN4C(=O)N5CN6C(=O)N7C8C6N(CN6C(=O)N(C4C56)[N+]3=O)C(=O)N8[N+](=O)C(C3NCN1C1C2N=C(O)N1CN3)[N+]7=O"]
["27185642","O=c1cc2c3ccc4c5c(c(=O)cc(c6c(O)c(O)c7c(c1CC1C=CC=CC=71)c26)c53)=C1CC=CC=C1C4"]
["90518088","OC1=NC2NNNC2C2SCCN12"]
["65714882","CC1C(O)=NCC(=O)N1C1(C)CCS(=O)(=O)C1"]
["174091849","CCCC1NCCC2CCOC3CCCC(F)C3C3NC4C(CC3Cl)C(N3C[C@@H](C)NC[C@@H]3C)N=C(O)N4C21"]
["82870352","CCc1c(C=Cc2ccc(C)o2)nc2n(c1=O)C1CC1(C(=O)O)C=C2"]
["75931865","O=C1N(Cl)C2NC(O)=NC2N1Br"]
["44648252","CN1C(=O)N2CN3C(=O)N4CN5C(O)=N[C@H]6[C@@H]5N(CN5C(=O)N(CN7C(O)=N[C@H]1[C@H]27)[C@H]3[C@@H]54)C(=O)N6CN1C(=O)N2CN3C(=O)N4CN5C(O)=N[C@@H]6N=C(O)N(CN7C(=O)N(CN8C(O)=N[C@H]1[C@H]28)[C@H]3[C@H]47)[C@@H]65"]
["179100777","CCCCCCCN1C(=O)N2CN3C(=O)N4CN5C(=O)N6CN7C(=O)N8CN9C(=O)N%10CN%11C(O)=NC%12N=C(O)N(CN%13C(=O)N(CN%14C(=O)N(CN%15C(=O)N(CN%16C(=O)N(CN%17C(O)=N[C@H]1[C@H]2%17)[C@H]3[C@H]4%16)[C@H]5[C@H]6%15)[C@H]7[C@H]8%14)[C@H]9C%10%13)C%12%11"]
["78963164","FC1(F)CC1(F)OB(OC1(F)CC1(F)F)OC1(F)CC1(F)F"]
["185689714","BrC1C(Br)C2(Br)CC1(Br)C=C2OB(OC1=CC2(Br)CC1(Br)C(Br)C2Br)OC1=CC2(Br)CC1(Br)C(Br)C2Br"]
["197683940","FC1(F)CC12CC(CS)C2"]
["184852884","FC(F)(F)C1(C(F)(F)F)CC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)CC1(C(F)(F)F)C(F)(F)F"]
["196439940","[2H][C@@H]1[C@H]([2H])C(F)(F)C1(F)F"]
["159149414","C[C@]1(CCCl)CC1(F)F"]
["190753491","O=CC1(CC(F)(F)F)CC1(F)F"]
["187274395","Cl.FC1(F)C=CNCC1"]
["152012076","C[C@]1(c2ccccc2)CC(F)(F)C1(F)F"]
["170752233","CCN1CCC2(CC1)CC2(F)F"]
["197656066","NCC1(c2cn[nH]c2)CC1(F)F"]
["178470797","CC12CC3CC1CC3(F)C2"]
["46094779","O=P(OP(=O)(N1CC1)N1CC1)(OS(=O)(=O)OP(=O)(OP(=O)(N1CC1)N1CC1)N1CC1)N1CC1"]
["172523461","CCN(CC)CCS(CC)(CC)OP(=O)(OS(CC)(CC)CCN(CC)CC)OS(CC)(CC)CCN(CC)CC"]
["101720634","O=c1nc(O)c(C#CCOP(=O)(N2CC2)N2CC2)cn1C1CC(O)C(CO)O1"]
["172868378","CC1(C)CP(=O)(P(=O)(P=O)N2CCN(P(=O)(P=O)P3(=O)CC(C)(C)C4OP3(=O)O4)CC2)P2(=O)OC1O2"]
["249688","O=C(O)C1=C[C@@H](OP(=O)(O)O)[C@@H](O)CC1"]
["66079132","O=S(=O)(CSOO[O-])ON1CCCCCCC1"]
["156625164","C[C@@H]1[C@@H](C)SCCN1S(=O)(=O)Cl"]
["66478948","Cc1ccc(OP(=O)(Oc2ccc(C)cc2)N2CCN(P(=O)(Oc3ccc(C)cc3)Oc3ccc(C)cc3)CC2)cc1"]
["45684418","COP(=O)(OC)N1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1"]
["177309633","CNc1snc(C)c1C(=O)N1CCN(S(=O)(=O)NC)CC1"]
["129388859","CN1CC(NS(=O)(=O)c2ccc(I)cc2)CCC1=O"]
["57144545","O=S(=O)(F)OP(F)(F)=S"]
["78088876","PC=CC[SiH]CC=CP.[Pt]"]
["198373396","CCNC=CP"]
["175133518","PC=CCCCC(c1ccccc1)(c1ccccc1)c1ccccc1"]
["185444552","PC=CCC(c1ccccc1)c1ccccc1"]
["190746257","CC(C)CCCC=CP.ClOCl"]
["172612292","C[Si](C)(C)NCC=Cc1ccccc1"]
["79235378","O=C(O)/C=C/P"]
["200578079","C=CP.[Cl-].[Cl-]"]
["173919792","[B]/C=C\\P"]
["48067562","CCCCCCCCCCCCCCCCCCCCCCCC/C=C/P"]
["100195196","[B+]CC=C[Si-]"]
["170627701","OB(O)/C=C/CNP"]
["97313287","CC(C)[P+]1(C(C)C)N[P+](C(C)C)(C(C)C)[Se][Te]2(#[Se][P+](C(C)C)(C(C)C)N[P+](C(C)C)(C(C)C)[Se]2)[Se]1"]
["88745033","CCC(C)C1NCN(C2CCC(O)CC2)C1=O"]
["175382992","COC(CC(C)(C)OC)C(C)C"]
["174580886","C=C(C)C(C)[C@@H]1C(CC)C1(C)C"]
["166798402","CC(C)C#CC(C)(C)C(=N)O"]
["17450985","CC(C)S(=O)(=O)[C@H](C)C(=O)N=c1nc(C(C)(C)C)[nH]s1"]
["150132453","CCC(C)(C)C(C(C)C)C(C)C(C)(CC)C(C)C"]
["176444811","CC(C)[P+]1(C(C)C)C(O)CCC1O.[Cl-]"]
["108878099","CC(C)[C@H]1NCC[C@H]1O"]
["162820497","COC(C)C1C(CN)C1(C)C"]
["175401669","CC(P)C1CNCC(O)C1"]
["94928349","CC(C#N)C(C)(O)C1CCCCC1"]
["184068126","SC1(S)C[Se]CC[Se]1"]
["180486782","C1C2C1C13CC1[C@H]2C3"]
["78053476","SC1(S)CC1"]
["179896292","SC12CCCC3CCC1C32"]
["74419405","I.SC12CCN(CC1)CC2"]
["171753291","COC1CN(C(C(C)(C)C)C(C)(C)C)C1"]
["163920807","BC1(C)CCC(C)(C)CC1(C)C"]
["173677827","[B]C1(O)CC2C3CCC3C21S"]
["182446873","OC1CC(S)(S)C1"]
["171792321","[Se]=CCC1(CC=[Se])CCC[Se]C1"]
["179009030","CC12C=C=C(C1)C2"]
["195445285","CC12CCC3C1C[C@H]32"]
["186848484","C1=c2c(c3n4c2=Nc2c5sncc5c5n2[C@@]42n4c(c6c(c4=N3)=CN=[S+]6)N=c3c4cnsc4c(n32)=N5)[S+]=N1"]
["175147616","O=[N+]([O-])c1cc(Br)c2sncc2c1Br"]
["91425362","Nc1ccc(N2CCOCC2)c2cnsc12"]
["194192061","Cc1c(Cl)c(Br)c2c3n4c(c2c1Br)N=c1c2c(c5n1[C@@]41n4c(c6c(Br)c(Cl)c(Br)c(Br)c6c4N=c4c6c(Br)c(Cl)c(Br)c(Br)c6c(n41)=N3)N=5)C(=[Br+])C(=[Br+])C(Cl)=C2Br"]
["25527687","COc1ccc(N)c2sncc12"]
["91425359","CN1CCN(c2ccc(N)c3sncc23)CC1"]
["179499172","CC(C)c1ccc(C(C)I)c2cnsc12"]
["144873930","Nc1oncc1-c1cccc2cnsc12"]
["49770659","Cc1c(C)c(C)c2sncc2c1C"]
["98235573","c1sc(-c2ncc(-c3scc4c3OCCO4)c3sncc23)c2c1OCCO2"]
["94356318","NC(c1cnsn1)c1cccc2ncccc12"]
["167155222","FC(F)(F)c1scnc1-c1c[nH]c2cnsc12"]
["78982364","FC(F)C(F)[SiH2]OP(O[SiH2]C(F)C(F)F)O[SiH2]C(F)C(F)F"]
["78111407","FC(F)C(F)[SiH3]"]
["190542650","CC(=O)CC(=O)C(F)(F)F.CC(C)OP(OC(C)C)OC(C)C"]
["175051568","FCCC(F)F.O=S(=O)(I)I"]
["181444943","FC(F)O[N-]Cl"]
["150730277","CO[C@@H](C)C(F)C(F)F"]
["162608514","FC(Cl)[SiH2]Cl"]
["157043655","C=C[C@H](N)C(F)F"]
["27144684","O=[SH](=O)OC(F)F"]
["78461832","O=C(O)C(=O)OC(F)C(F)F"]
["162519755","N[C@@H](c1cccc(Br)n1)C(F)F"]
["174361917","FC(F)C(F)n1nnc(=S)[nH]1"]
["100849964","B1B2B1[B-]1=CB21"]
["168454429","C1=[B-]2CB12"]
["96734392","B1B2B1[B-]1=[C]B21"]
["168443208","[B]1B2B1[B-]1=CB21"]
["45568718","C1=C[N]C=COC=1"]
["52713827","B1BB2BBB1B2"]
["91156814","CC(Br)=Cc1ccc(C=C(Br)C[B]Br)cc1"]
["75177158","[CH]1OCC2(CC2)CO1"]
["96623259","B1P=CC=P1"]
["178645366","C1=C2CC=1C1=C=C=C3C(C2)CC2Cc4c5c6c7c8c(c9c%10c(c4CC(C=%10C#C9)C3C2)c8-5)CC2=C3C(=C(C6)CC3CC3CC1=C=C23)C7"]
["195749527","C=CC(=O)N1CCC=C(c2ncc(C(=N)O)c3c2C2=C(CCCC2)C3)C1"]
["78423962","CC1=Cc2c(C3[C]4CC5CC(C4)C(=[Si](C)C)C3C5)ccc(F)c2C1"]
["178255693","CC1(C)C2(C)OC1(C)C1(C)OC34OC56C78OC9%10CC%11C%12OC%13%14OC2(C)C%13(C)C2(C)C%13(C)C%15(C)C(C)(C)C%16(C)C%17(C)C%18(C)C%19(C)C%20(C)C%21(C)OC%20%22OC%20(C97OC87C89OC%23%24OC(C)(C%25(C)OC%21(C)C%25(C)C)C%23(C)C%21(C)C%23(C)C%25(C)C(C)(C)C%26(C)C%27(C)C%28(C)C(C)(C13C)C45C%281C76C83C%23(C%24%219)C%25%26C%2713)C%22%19C%181C%10%20C%113C%13(C%12%142)C%15%16C%1731"]
["180540295","CC1(C)C2(C)C3(C)C(C)(C)C4(C)C5(C)C6(C)C7(C)C8(C)C(C)(C)C9%10C%11CCCCC%12C%11C9%11C%12(C)C9(C)C%12(C)C%13(C)C%14(C)C1(C)C24C%141C35C62C73C8%10C9%11C%123C%1312"]
["179290166","CCC1(C)CC2(C)C3(C)C4(C)C5(C)C(C)(C)C6(C)C(C)(CC)C5(C)C4(C)C45C63C36C2(C)C(C)(C(C)C)C3(C)[C@](C)(C4(C)C)C56CC1(C)C(C)C"]
["179759642","CC(C)C1(C)C2(C)C3(C)C(C)(C)C4(C)C5(C)C6(C)C7(C)C8(C)C(C)(C)C9(C)C%10(C)C(C)(C)C%11(C)C%12(C)C%13(C)C%14(C)C1(C)C21C34C52C%141C%131C%12(C%108%11)C97C621"]
["179778285","CC1C(C)C23C1(C)C1(C)C4(C)C5(C)C(C)(C)C6(C)C7(C)C8(C)C9(C)C%10(C)C%11(C)C%12(C)C(C)(C)C%13(C)C%14(C)C%15(C)C(C)(C)C%16(C)C%17(C)C%18(C)C%19(C)C%20(C)C2(C)C2%21C4%22C56C72C82C94C%105C%13%11C67C%12%14C%15%16C%176C%186C%198C%20(C13%22)C%212C48C567"]
["184183718","CC(C)C1(C)C2(C)C3(C)C(C)(C)C4(C)C5(C)C(C)(I)C6(C)C7(C)C(C)(C)C8(C)C1(C)C2(C436)C785"]
["179703691","CC1(C)C2(C)C3(C)C(C)(C)C4(C)C5(C)C6(C)C7(C)C8(C)C9(C)C(C)(C)C%10(C)C%11(C)C(C)(C)C%12(C)C%13(C)C%14(C)C%15(C)C1(C)C24C1(C)C35C72C%14(C6%151)C%131C%11%12C%109C821"]
["68275687","CC(CO)[C@@H]1C[C@H]2C3(C)CC4(O)O[C@H]([C@@H]5[C@@](C)(O)CC[C@@]53O)[C@@]2(O)[C@]14C"]
["154282635","C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@@H]42)[C@]13C"]
["178139805","CC(C)C12C3CCCCC3C13C1(C)C(C)(C)C4(C)C(C)(C)C5(C)C6(C)C(C)(C)C7(C)C2(C)C32C67C5(C)C412"]
["179079687","CC1(C)C2(C)C3(C)C4(C)C5(C)C6(C)C(C)(C)C7(C)C8(C)C9(C)C%10(C)C%11(C)C%12(C)C%13(C)C(C)(C)C%14(C)C%15(C)C%16(C)C%17(C)C%18(C)C(C)(C)C%19(C)C%20(C)C%21(C)C%22(C)C%23(C)C%24(C)C1(C)C21C32C43C75C45C68C96C%107C%118C%129C%14%13C%15%10C%16%11C%17%12C%18%19C%20%13C%21%14C%22%15C%23%16C%241C21C34C23C65C74C85C%109C%116C%12%13C%147C%15(C%1612)C43C657"]
["179175107","CC1(C)C2(C)C3(C)C4(C)C5(C)C(C)(C)C6(C)C7(C)C8(C)C9(C)C%10(C)C%11(C)C%12(C)C%13(C)C(C)(C)C%14(C)C%15(C)C%16(C)C%17(C)C(C)(C)C%18(C)C%19(C)C%20(C)C%21(C)C%22(C)C%23(C)C%24(C)C%25(C)C1(C)C65C71C5(C)C6(C)C%247C%10%21C%20(C%13%18%16)C%14%11C86C%23(C9%22C%15%12%19)C5(C%172C)C41C%2537"]
["179249992","CC=[C-]C(=NC)C(C[I]/C=C(\\O)C[I]C)/C(C)=C\\C"]
["166358968","C=CCNS(=O)(=O)c1cc(C(O)=NC)ccc1F"]
["156288082","C=C(C)C(/C=C\\N)=C(/C)C(C)Cc1ccccc1"]
["170022636","CN=C/C(C)=C\\NCC(=N)O"]
["106451454","C=CCN[C@@H](CC(=O)O)C(=O)c1ccc([C@@H](C)CC)cc1"]
["96462046","COCC(C)/C(C)=C/CCNC(C)(C)C"]
["199959304","CC.CC.[B+]C([B+])(c1ccc(C2C=C(/C([C-]=CC)=C/C(C)C)C(C)=C[N-]2)cc1)C(C)(C)C"]
["150046929","C=CC=NC(C)C(C)=CC"]
["80423928","CN=C(O)CN=C(O)NC(CC1CCC1)c1ccccc1"]
["43664593","CCC=C(C)C(C)CC(=O)O"]
["78704086","C/C=C(/C)C(C)CC(C)=N"]
["173586362","C=CC(O)=NC.C=CC=[C-]/C=C\\C.[K+]"]
["178703188","C=C(N)SC1=C(I)CCN(C2=IC2)C1"]
["153434486","CN1CCc2cc(I)c(O)cc2[C@H]1Cc1ccccc1Cl"]
["174169055","C=C(N)Sc1cc(CCC)ccc1C"]
["88017352","O=C(CSc1nn[nH]n1)N1CCNCC1"]
["46682391","C=C(N)CCN1CCN(CCC(=C)N)CC1"]
["159163318","C=C(C)[C@H](N)[C@@H]1CCCN1C"]
["91900255","CC1(C)CN(c2ccc(C(=N)N)cc2Cl)CCS1"]
["120451952","COC1(C(=N)N)CCN(c2nccn2C)CC1"]
["197752457","C=C(N)/N=C1/CC2=C(CCC2)/C1=C(/C)SC(C)=NC"]
["163172160","Cn1c(C(=O)O)cnc1N1CCC(=O)CC1"]
["112454144","Nc1cc(I)c(F)cc1N1CCCS(=O)(=O)CC1"]
["114443281","Cc1cc(C(=N)N)nc(N2CCc3ccccc3CC2)n1"]
["192073779","CC(C)CC#CCCSC(C)C.CC(C)CC#CCSCC(C)C.CC(C)CSC/C=C\\SC(C)C"]
["132017678","CC(C)CSCCCN=C(O)C(C)(C)N=C(O)OC(C)(C)C"]
["162851688","CCC#CC(C)SCC(C)=O"]
["54097912","C=CC(CSC(C)C)NCCC"]
["198324179","C=CCSCC(C)C(=C)C=CCC"]
["173178273","C=CC.CCSCC(C)C"]
["175744465","[B]CC/C(C)=C/CSCC(C)C"]
["60866872","CC(C)CCSCCOCCOB(O)O"]
["163541813","CCSCC(CC(C)C)SCCC(C)C"]
["136082637","CC(C)CSCCN(C)Cc1nccs1"]
["172907335","CC(C)CCC(C)(C)CCSC(C)C"]
["188070101","CC(C)SCCC(C)C(C)C(C)C"]
["192302418","O=C(O)C1=c2ccc3c4c2[C@]25O[C@@]26[C@]27O[C@@]28c2c(cc9c%10c2C2=C7C7=C5C1=CC1=Cc5c(O)cc%11c%12c5[C@@]5(O[C@]175)C2=C1[C@]%12(O)[C@]2(O)C(=C%11)C=CC5=C2[C@@]2(O[C@]1%102)C(=C9)C=C5)C(O)=c1cc(C(=O)O)c2c(c18)[C@@]6(O)[C@@]4(O)C(=CC=3)C=2.O=C=O.O=C=O"]
["75845747","CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COS(=O)(=O)CCc1ccccc1/N=N/c1ccc(O)c(C(=O)O)c1"]
["175704632","C/C=C/c1c2ccc(-c3ccc(C(C)=O)c4c(C(O)=Nc5cc(O)cc(O)c5)ccc(CC)c34)c3c(C)ccc(c4ccc5c6c7c8c(ccc7c(C)c5c14)C(=O)N(c1cc(O)cc(O)c1)C(=O)C8=CC(C)(C)C=6)c23.CC.CC"]
["30140559","CO[C@@H]1[C@@H](O)[C@@H](OC)C(NC2=CC(=O)c3c(cc4c(c3O)C(=O)[C@]3(OC)[C@H](O)Cc5cc(C)c(C(=O)O)c(O)c5[C@]3(O)C4=O)C2=O)O[C@H]1C"]
["51013202","O=C1C=CC(=C2C=Cc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3N2)C(O)=C1"]
["155283387","O=C(O)c1cc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12"]
["180425480","COC(=O)CCCC1(c2ccccc2)C2c3cc4c5c6c3-c3c7c8c9c%10c3C6C3c6c%11c%12c%13c(c6=%10)C=9C(=CC8CC721)CC%13CC=%12CC1=C%11C3C5C(=C1)C4"]
["174610345","C/C=C1\\C=C(/C)OCCCC(C(=O)O)N=C(O)[C@@H]2C[C@@H](OC3=c4ccc(OC)cc4=NC(C4=CCCC=C4)=CC3)CN2C(=O)[C@@H](NC)C1"]
["24687521","N=C(O)CC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(c3cccc4ccccc34)C(=O)C21"]
["193805054","C=C(/C=C\\C(=C)C1=c2cccc/c2=C(C(=C)c2cc3c(cc2C2=Cc4ccccc4C2(C)C)sc2ccccc23)/C=C/CCC=C1)C1=CC=CCC1"]
["109340559","O=C(O)c1ccccc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1"]
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["178784660","CC(O)NC1CCCC(c2[nH]c(C3=CCNC=C3)cc2C(=N)O)C1"]
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["162176421","Fc1cc(NC2CCNCC2)c2[nH]c(-c3ccccc3)cc2c1.O=[N+]([O-])c1cc(F)cc2cc(-c3ccccc3)[nH]c12"]
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["55655833","O=[N+]([O-])c1cc(Cl)ccc1NC1CCc2ccccc2C1"]
["92772687","Cc1cc(Cl)c(NC2CCS(=O)CC2)cc1Cl"]
["195808023","Cc1cc(C2=CCNC2)[nH]c1N"]
["78510660","PCPC(P)C(PP)C(C(C(P)PCP)C(P)PC(P)P)C(C(C(C(P)P)C(P)PCP)C(C(P)PCP)C(P)PC(P)P)(C(C(C(P)P)C(P)PC(P)P)C(C(P)PCP)C(P)PC(P)P)C(C(C(P)PCP)C(P)PC(P)P)C(C(P)PC(P)P)C(P)PC(P)P"]
["194324865","CN(PP)[C@H](CC[C@@H](N)Cc1ccccc1)Cc1ccccc1.Cl.N[C@H](CC[C@@H](N)Cc1ccccc1)Cc1ccccc1"]
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["97961860","PCPC(P)C(C(P)PC(P)P)C(C(C(P)PC(P)P)C(P)PC(P)P)C(C(C(P)PCP)C(P)PC(P)P)C(C(P)PC(P)P)C(P)PC(P)P"]
["148743500","FCC(P)PP"]
["62254348","PCPC(P)PCP"]
["189919722","CC1=CN=C2[N-]C(C)=NC=C2N=N1.[Li+].[SH-]"]
["199965184","CC.CC.[B+]=C1[N-]C(C)=CN=C1C"]
["65208516","CN1C(=O)C2=NC=NC2N(C)C1=O"]
["193797361","Cc1ncc[n-]1.[Li+]"]
["56266276","Cc1nc(C2CCC(C)CC2)cs1"]
["180216232","CC1=C/[N+](=C/[C@@H](C)O)N=N1"]
["24828054","Cc1cnc(C)o1"]
["53643892","Cc1ccc(F)c(-c2nnc3cc(Cl)ncn23)c1"]
["176505712","CC.CC1=NC=C=C[N-]1.[K+]"]
["75637636","COCC1=N[N]C(C)=C1"]
["191014905","CC.CC1=NC=CC(=C2C=C(c3cccnc3)N=N2)[N-]1.[U]"]
["100190721","Cc1nc(N)c2ncn(S([O])=O)c2n1"]
["150044786","CSC1SC(C(=O)C(C)(C)C)CC1C=CB(O)N=O"]
["21132447","CC(=O)C1=C(C)C(C2=NNC(=NC(C)(C)C)SC2)=[NH+][C@H]1C"]
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["154473613","CC(C)(C)[C@@H]1CCc2c(sc(/N=C\\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C(=O)NCc2ccco2)C1"]
["110986991","CC(Br)(CC1CCOCC1)C(=O)O"]
["96796445","C[Se][C@H]([SiH3])[C@H]1C[C@@H]1C=O"]
["174820682","CC(C)(C)C(=O)OC1CNCCC1(O)CN=[N+]=[N-]"]
["MCULE-8589431899","CCCCC1CCC(c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N=Cc2sccc2C)CC1"]
["85312330","CCC(C)(N=C(O)C1CNCCO1)C(=O)O"]
["159946220","CC1CC(C(O)=Nc2nc(C(C)(C)C)cs2)CCC1=O"]
["175336634","CN(C[C@@H]1CCCNC1)C(C)(C)C(=O)N=C(O)/C=C(\\N)C(C)(C)CO"]
["162637505","CC(C)(N)C(O)=NC1CNC1.Cl"]
["192420887","[nH]1[nH]n2[nH][nH]n3[nH][nH][nH]n4[nH]n([nH]1)n2n34"]
["154715244","CCn1[nH][nH][nH]n1N"]
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["176549892","C/C=C1/CNCCN1C(C)=O"]
["99679878","CCn1[nH]cc(S)c(=S)c1=S"]
["97171964","[nH]1[nH][nH]n(-n2[nH][nH][nH][nH]2)[nH]1"]
["172986773","CC=C1CNCCN1N"]
["164290397","C=NN1CCNC/C1=C/C"]
["172230955","CC=C1CNCCN1C(C)=O"]
["187978467","C1C[C]1n1[nH][nH][nH][nH]1"]
["182137903","Sn1[nH][nH][nH][nH][nH][nH]n(S)[nH]1"]
["186557727","C/C=C1/CNCCN1C(C)(C)C"]
["184510323","O=C(OCC1(CO[C-]([O-])C23CC4CC(C2)C2(OCC(F)(F)C(F)(F)CO2)C4C3)COC2(OC1)C1CC3CC(C1)C2C3)C12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C2)[I+]3"]
["46381515","C=C(C)C(=O)OC(OCC1(C)CC2CCC1C2)C(C)(C)CC"]
["190157435","CC(OC(=O)C12CC3CC(C1)C(O)C(C3)C2)C(F)(F)S(=O)(=O)O"]
["184522514","CC1CC2CC(C2)C(C(=O)OCC(F)(F)S(=O)(=O)O)C(C)C1=O"]
["81514524","COC(=O)C12CC3CC(C1)C(n1c(O)nc4c1C1=CC=NC1N=C4)C(C3)C2"]
["184611176","N=C(N)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)C1C3"]
["180081033","CCC([I+]C)[C-]([O-])OC1CC2CC1CC21CCN=C1O"]
["75269929","N=C(O)CCC1(C(F)COC(O)=Nc2cc(Cl)ccc2Cl)OOC2(O1)C1CC3CC(C1)CC2C3"]
["179985789","C[Cl+]CC([O-])CC(=O)OCC1(C)CC2CC3C(C1)CC3([O-])C2"]
["149606170","C=C(C)C(=O)OCC(=O)OC1(C2CC3CCC2C3)C2CC3CC(C2)CC1C3.C=CC(=O)OCC(=O)OC1(C2CCCCC2)C2CC3CC(C2)CC1C3"]
["161607678","CCOC(C)OC1OC(=O)C2C1OC1OC3(OC12)C1CC2CC3CC(OC(=O)C(F)(F)S(=O)(=O)O)(C2)C1"]
["100841467","CC(=O)OCC1COC2(O1)C1CCC(C1)C2OC(=O)C(C)(F)F"]
["168623344","C1=CC2=[Si]3c4ccccc4SC=c4ccccc4=[Ge](c4ccccc4CSC2=CC1)c1ccccc1CSc1ccccc13"]
["165172276","O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2C[C@H](C(F)(F)F)CCN12"]
["179498977","N=C(N=C1c2ccccc2-n2c1cc1ccccc12)/C1=C/C(c2cc3ccccc3cc2CCC2CC2)=C\\Cc2ccccc2SC1"]
["184121748","O/N=C1/c2ccccc2CSc2ccccc21"]
["164357183","FC(F)(F)c1cccc2c1CSC1=C(C=CCC1)C2"]
["68621980","C1=CC(CCOc2cccc3c2SCCS3)(C2Cc3ccccc3C2)N=C1"]
["1178868","CN1C(c2ccc(F)cc2)=CS/C1=C(/C#N)c1nnc2n1-c1ccccc1SC2"]
["28448120","C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c2cccc3N2CCCC2=O)n2ccc(=O)c(O)c2C1=O)C(F)(F)F"]
["92857688","CNC(c1cccc2c1OCC2)C1Cc2ccccc2S1"]
["176552383","C#C.C/C(F)=C\\C=C/C1=CCc2ccccc2SC1.C[C@@H]1CCN(C)[C@H](Nn2ccc(=O)c(O)c2C=O)C1"]
["186712612","O=C1c2c(O)c(=O)cc(-c3cccc4c3Cc3ccccc3SC4)n2N[C@@H]2CN3COCC3CN12"]
["29740222","Cc1cc(CN2CN(C3c4ccccc4CSc4ccccc43)n3ccc(=O)c(C)c3C2=O)no1"]
["185184703","O=[N+]([O-])N1C2NC3NC4NC2([N+](=O)[O-])N([N+](=O)[O-])C4([N+](=O)[O-])N([N+](=O)[O-])C31[N+](=O)[O-]"]
["73592291","NN1C2NC3C4NC2N([N+](=O)[O-])C1C(N3[N+](=O)[O-])N4[N+](=O)[O-]"]
["177476592","NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)N[C@H](CO)CN2"]
["172684435","Nc1c([N+](=O)[O-])[n+](=O)c([N+](=O)[O-])cn1[O-]"]
["141972074","CC1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC(C)N1"]
["74773676","CC(C)Oc1cc(C2([N+](=O)[O-])C=CC(=N)NC2N)[nH]n1"]
["131649947","CC1CCN(c2ccc(C(O)=NCC3CCNCC3)cc2[N+](=O)[O-])CC1"]
["93085465","CC1(C)CN(c2cccc(F)c2[N+](=O)[O-])CC(CO)O1"]
["91526663","O=[N+]([O-])C=C1SCCCN1S(=O)(=O)C1CCCC1"]
["144654873","N=C1NC(N)N=CC1(Cc1ccccc1-c1ccccc1)[N+](=O)[O-]"]
["73953277","CC(C1=CC([N+](=O)[O-])(S(N)(=O)=O)C(S(N)(=O)=O)C=C1)=C(Cl)Cl"]
["158849700","Cn1cnc([N+](=O)[O-])c1N1CCN2C(=O)C(=O)NC[C@@H]2C1"]
["184203670","[CH-]=C(C)C1[I+]C1N(C)[CH-]C"]
["166518854","CC(=O)N(C)C1(C(=N)O)CC1"]
["195308906","C[CH-]N(C)CC.[U]"]
["127102713","CC1CC(C)CN(C(=O)CN(C)C(C)CC#N)C1"]
["62972896","[CH-]=C([CH2-])C.[U].[V]"]
["78956217","CC(=O)N(C)C.[H]"]
["70226514","C.[CH-]=C(C)[N-]OC.[W+2]"]
["76764469","[CH-]=C(C)CC.[W+2]"]
["75359491","CC(=O)N(C)N1CCC([C]=O)C1"]
["25072462","CN(C)C(=O)C#CC(=O)O"]
["25302661","CC(O)=NCCN(C)CCN=C(C)O"]
["170530178","[CH-]=C(C)C(C)(C)C"]
["60122423","[O-]P1(=NC#CCl)[O+]=[C]C#CN1C#CCl"]
["184033288","[N-]=[N+]=NC(=O)OC#CCl"]
["74251332","CC(O)=NC1C(O)OC(C)C2C1ON2C(C)O"]
["48993882","ClC#CN1CCCCC1"]
["161904924","ClC#CN1CCCC1"]
["179318835","[CH-]1[C-]2C[I+]CC3CC45CI4CC1C235"]
["159208202","C/C=C/[C@@H](NC)[C@@H]1CC12CC2"]
["179696816","CC1(C)[I+]C[C-]2[CH-]C1CCC2"]
["184372140","C[C-](C)C1NCNC1(C[NH-])[C@@H]1CCCC[I+]C1"]
["180041255","[CH2-][C-]1[I+]CCC2CC2(C)[N+]12CC2"]
["179533411","[CH-]1CC2[I+]C23C[C-]13"]
["88509843","CN(C)NC1C2(C)CCC(C2)C1(C)C"]
["184275064","CC1[CH-][C-](C2C[I+]2)CC([C@H]2CO2)O1"]
["179924154","CC1[CH-][C-]2C[I+]C1(C)C2"]
["179825686","CC1(C)C2[CH-]CC1C[I+]C2"]
["173491266","[N-]=[C-]c1cccc(C23CC[I+]CC2C3)c1"]
["157916001","N[C@H]1CC[C@](F)(C2CNC2)C1"]
["184373161","NC1NN2CC(F)CNC2C1C(O)=NC1CNC2(CCCCCCC2)C(F)C1N1CCC(C(=O)N2CCN3CCC2CC3)CC1"]
["MCULE-4420827664","COc1ccc(N=C(O)C2CCN(C(=O)C3CCCCC3)C2)c(OC)c1"]
["64831019","Cc1c(N=C(O)C(C)N2CCC(C(=O)N3CCCC3C(O)=Nc3ccccc3C(O)=NC3CCCCC3)CC2)cccc1C(O)=Nc1ccc(F)cc1F"]
["57011695","CCC(O)=Nc1ccc(Cl)c(N=C(O)C(C)N=C(O)C2CCN(C(C)C(O)=Nc3cc(C(=O)N4CCCCC4)ccc3Cl)CC2)c1"]
["153316903","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(C(=O)[C@H]5CCCCN5)c4s3)[C@H](C)[C@H]12"]
["42349686","Cc1ccc(N=C(O)c2cccc(N=C(O)C(C)N3CCC(C(O)=NCCC(=O)Nc4ccc(NC(=O)C5CCCCC5)cc4)CC3)c2C)cc1F"]
["67795328","CC1CCCN(C(=O)c2cc(Cl)ccc2N=C(O)C(N=C(O)C2CCN(C(C)C(O)=Nc3ccc(Cl)c(C(O)=NC(C)C)c3)CC2)C(C)C)C1"]
["171952013","CN(C)C(=O)C1CN(C2CCNCC2N=C(O)C2C(N)NN3CC(F)CNC23)CCO1"]
["50323807","Cc1ccccc1N=C(O)c1ccc(Cl)cc1N=C(O)C1CCCN1C(=O)C1CCN(C(C)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)CC1"]
["51378133","CC(C(O)=Nc1ccc(Cl)c(C(=O)N2CCCCC2)c1)N1CCC(C(=O)N2CCCC2C(O)=Nc2ccc(Br)cc2F)CC1"]
["30402285","CC(C)(C)OC(O)=N[C@H]1CN(c2ncc(O)c(C(N)=O)n2)C[C@@H]1c1cc(F)ccc1F"]
["156732362","Cc1nc(C[C@H]2CCCN(C(O)=N[C@@H]3CCOC4(CCCC4)C3)C2)no1"]
["195568654","C=CN=C1C(=N)C(=NC=C)C(N)C2C(N=C)C(N)C(OC3C(N)C(N)C4C(P)C(N=C)=C(N)C(C=N)=C(N)C34)C2C1=N"]
["11310328","C=C/C=C1\\CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C"]
["5826814","C=C/C=C1\\CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C"]
["80020371","C=CC1=CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C"]
["166661593","O=S(=O)(NC1CCOCC1)c1ccc2c(c1)/C(=N/OCCOCCOCCO)c1cc(SNC3CCCCOCC3)ccc1-2"]
["90688480","Cl.NC1c2ccccc2C(O)C(O)C1OC1c2ccccc2C(O)C(O)C1O"]
["162180957","C=Cc1cccc2c1SCCC2N"]
["110414699","C=C/C=C1\\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]
["26572250","C=CC1=CCC2C3CC=C4CC(OC(C)=O)CC[C@]4(C)C3CCC12C"]
["110414697","C=C/C=C1\\CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]
["183051248","[N-]=[N+]=Nc1cccc(-c2ccc(OC3CCCCC3N)c3ccccc23)n1"]
["186582407","C=CN=C1C(=C)C=CC=C1S(=O)(=O)Nc1ccc(C(=N)N2CCN(Cc3cc(C)c(O)c(C)c3)CC2)cc1"]
["171553601","C=CC(C=C)[Si+]=C1[CH+]C(=[Si-]C(C=C)C=C)C(=[Si-]C(C=C)C=C)[CH+]C1=[Si-]C(C=C)C=C"]
["99432282","C=CC(C=C)[O+]=[Si-]CI"]
["171553714","C=CC(C=C)[Si+]CC[Si-]C(C=C)C=C"]
["161959115","C=C[C@H](CC)Nc1cc(/N=C\\CC)c(C(=C)C)cc1C"]
["80185273","C=CC(O)CCNCCC(O)C=C"]
["33284052","C=CCCC(C[Te]c1ccccc1)OCC=C"]
["99650155","C=CC(P)[Si]C(P)C=C"]
["171553659","C=CC(C=C)[Si]C1CC([Si+]C(C=C)C=C)CC([Si-]C(C=C)C=C)C1"]
["99587714","C=CCC[Si-]=[O+]C(C)OC"]
["169875755","C=CCCCCNBr"]
["167207265","C=CCCN[C@@H](C=C)CCc1ccccc1"]
["174847230","C#CC(F)C=C"]
["172329498","CC1=CC=C2OC(C)=C(C)C23C(C)=C(C)C(C)=C13"]
["34028269","CC1=CC=C(C(C)C)C(=O)C2C(C)=CC=C12"]
["48072030","CC1=C(C)C(C)([Si](Cl)(Cl)c2ccccc2)C(C)=C1C"]
["17388310","Cc1ccc(OCC(=O)OCc2nnc(-c3ccccc3)o2)c(C)c1"]
["179053608","Cc1o[c]c2c3ccccc3c3ccccc3c12.[Al]"]
["5407969","Cc1ccc2c(C)c(C=O)oc2c1"]
["73589171","CC1=C=CC=C(N2CCC(O)C2)[N]1"]
["178413217","CC1=CCC2OC(C)C(=O)C2=C1"]
["173057281","CCCC1=C2C(C)=CC=C2CS1"]
["84068093","CC1=C(C)C(C)([As](Cl)Cl)C(C)=C1C"]
["79616144","CC1=C(c2ccccc2)C=C2C=CC=C(C3=C(C)C(C)=C(C)C3(C)C)[C]21"]
["170541347","CC1=C(C)C(C)([As](S)S)C(C)=C1C"]
["168483000","[B]1C(C2=BC2=C2B=C2C2=BC2=C2B=C2)=C1C1=BC1=C1B=C1C1=BC1=C1B=C1"]
["84139060","C#Cc1ccccc1C#CCCC=O"]
["187460197","b1bbncb1"]
["141815684","CCCc1cc(=O)n2nc(N3CCSC(C)C3)sc2n1"]
["61742129","C/C=C\\[Si](CCC=O)(c1ccccc1)C(C)(C)C"]
["161229776","O=c1cc(Br)cc2n1CCC1COCCN21"]
["172539799","O=C(O)c1ccc(=O)n2c1C(Cl)CC2"]
["91163610","c1ccc2nc(N3CCCCC3)nc-2cc1"]
["178163504","O=c1n(-c2ncccn2)c(=O)n2n1CCCCC2"]
["96749541","CCC/C=C1\\OC(=O)C(C=O)=C1CCC=O"]
["56785487","O=c1ccc(O)c2n1CCC2"]
["185484998","O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1SCc1ccccc1"]
["161679837","[N]=NC=[Si]1C=CC=C1"]
["76079997","N=N[N+]1([O-])C=CC=C1"]
["96572760","c1ccc(-c2cc(/N=N/c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1"]
["97584649","C=[Si]1C=CC=C1"]
["175713230","O=C[Si]1=[GeH]C=C1"]
["79764530","ClC(Cl)O[SiH]1C=CC=C1"]
["175823992","O=[Si]1C=CC=C1.[Ge]"]
["171498596","O=P(=O)[Si]1=C/C=C\\C=C/C=C\\1"]
["78292202","C=CC=[N+](N=[N])[S-](=O)=O"]
["75013067","CON=Cc1cccc(C=C=[N])c1"]
["174579767","S=CC1OC=CO1"]
["25636625","[N]=NC=C=O"]
["79573285","N=C([O])N(C(=O)N(N=CO)C(=O)N=C(O)N=CO)N(N=CO)C(=O)N=CO"]
["175266089","CC(N=CO)=NC(=O)N(C)Cc1ccccc1"]
["61266132","CC1CC1CN(C)C(=O)N=C(O)CCl"]
["112702777","CC(N=C(O)N=C(O)CCCC(=O)O)C1CCOCC1"]
["182936453","[N-]=[N+]=NC(=O)N(O)N=CO"]
["179778291","CN=NC(=O)N(C)C=O"]
["61661427","CCN(CC(=O)OC)C(=O)N=C(O)CCl"]
["26748911","O=C(O)N=CO"]
["45350655","CC(N=C(O)N=C(O)CCCl)C(=O)N(C)C"]
["174060623","CC.CSCOc1ccccc1.O=C(c1ccc(O)cc1)N(F)N=CO"]
["583432","CC(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=N)O"]
["161536481","O=C(O)CN=C(O)/C(Cc1ccccc1)=C(\\O)N(C(=S)N=CO)c1ccc(Cl)cc1"]
["76011129","C=C1C=C(CN)C=C2[C]1C=C(F)C=C2F"]
["173592945","CCC1=CC(CN)=CC1"]
["87517009","NCc1cccn1CC(F)F"]
["63181065","NCc1cccc(O)c1F"]
["145436443","NCc1nc(F)c(OC(F)(F)F)cc1C(F)F"]
["112355247","COc1cc2c(cc1F)c(CN)cn2C"]
["23896415","C=C1[CH]C=CC=C1F.[Cl-].[Zn+]"]
["94174118","CCC(O)COc1c(F)cccc1CN"]
["59542262","NCc1cc(F)ccc1N1CCSCC1"]
["178292376","FC1=CC=C(F)C(=C2C=C(F)[N-]C=C2Cl)I=C1"]
["22655799","NC[C@@H](N)c1cc(F)c(F)cc1Cl"]
["169901584","C=C1C=C(C)C=C(Cl)C(C(=C)CN)=C1"]
["181406138","Cc1cc(C)c(C)c(Oc2c(C)c(Oc3c(C)ccc(C)c3C)c(C)c(Oc3c(C)c(C)c(C)c(Oc4cc(C)c(C)c(Oc5ccc(C)c(C)c5C)c4C)c3Oc3c(C)c(C)c(C)c(C)c3Oc3c(C)c(C)c(C)c(ON=[N+]=[N-])c3C)c2C)c1"]
["MCULE-7679752121","Cc1ccc(C)c(OCC(=O)N=c2[nH]n(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)c1C"]
["MCULE-4305521802","Cc1ccc(C)c(OCC(O)=NCC(Cc2ccccc2)c2ccccc2)c1C"]
["MCULE-3367296735","Cc1ccc(C(C)N=C(O)COc2c(C)ccc(C)c2C)cc1"]
["68904311","Cc1ccc(N)cc1Oc1nc2ccccc2cc1C"]
["182985986","CCOC(=O)c1cc(Cl)c(ON=[N+]=[N-])c(Cl)c1Sc1n[nH]c(=O)c(=O)n1C"]
["67673874","COc1ccc(C=C(C#N)C(=O)O)c(OCCOc2c(C)ccc(C)c2C)c1"]
["MCULE-2321581644","COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3c(C)ccc(C)c3C)c(Cl)c2)cc1Cl"]
["183894266","CCCCOc1c(ON=[N+]=[N-])cc(OC)c(OCC)c1OCCC"]
["183897603","CCCCCCCCCCOc1c(C)c(OCc2ccccc2)c(OC(OCCCCCCCC)c2ccccc2)c(ON=[N+]=[N-])c1OCCCCCCCCC"]
["181984841","COc1cc(N=[N+]=[N-])c(-c2c(N)oc3c(O)c(OC)ccc23)c(OC)c1OC"]
["121477048","Cc1cc(C)c(C)c(OC(=O)COCC2CCOC2)c1"]
["191960574","CC(C)C[C@@H](C(=O)C[C@@H](C)C(O)=N[C@H](C(=O)C[C@@H](Cc1ccccc1)C(O)=N[C@@H](CC(=O)SCc1ccccc1)C(=O)N(C)[C@@H](C)C(O)=N[C@@H](COC(C)(C)C)C(O)=NCC(=N)O)C(C)C)N(C)C(=O)CCC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](C)CC(=O)CN=C(O)OC(C)(C)C"]
["26946834","CC(C)(C)OC(O)=NC(C)(C)C(O)=N[C@H](CCc1ccccc1)C(=O)O"]
["172835343","COC(=O)Cc1cccc(NC(O)=NCC(O)=NC(CC(C)C)c2ccccc2OCC(=O)N(C)c2cc(Cl)cc(Cl)c2)c1"]
["110366985","CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(O)=Nc2ccc(OCc3ccccc3)nc2)cc1"]
["90537018","CCC(C)C(N=C(O)C(N)Cc1ccccc1)C(=O)N1CCCCC1C(=O)N1CCCCC1C(O)=NC(CCCCN=C(O)OCc1ccccc1Cl)C(=O)N1CCCC1C(O)=NN"]
["80098343","CC(C)CC(C(=O)N(C)C(CC(C)C)C(=O)OCc1ccccc1)N(C)C(=O)OC(C)(C)C"]
["29452827","CC(C)CC(NC(=O)c1ccc(-c2ccccc2)cc1)C(O)=NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C"]
["176307760","CC(C)(C)OC(=O)Nc1ccc(OCc2ccc(COCN=C(O)CN=C(O)[C@H](Cc3ccccc3)N=C(O)CN=C(O)CN=C(O)OCC3c4ccccc4-c4ccccc43)cc2)cc1"]
["98383065","CC(C)CCCC(C)C1CCC2C3CC=C4C[C@@H](OC(O)=NCCCCC5NCC(=O)C(CC6C=NC7C=CC=CC67)N=C(O)C(Cc6ccccc6)N=C(O)C(N=C(O)C(Cc6ccccc6)N=C(O)C6CCCN6C(=O)C6CCCN6C(=O)c6ccc[n+](C)c6)CSSCC(C(O)=NC(CO)C(C)O)N=C(O)C(C(C)O)N=C5O)CCC4(C)C3CCC12C"]
["102137726","CC(C)CN=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O"]
["MCULE-1330213095","CC(C)(C)CC(O)=NC(CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1"]
["172791847","C[C@@H](C(O)=N[C@H](C(=O)N1CCCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1)N(C)C(=O)OC(C)(C)C"]
["168439467","[C-]1=C2N=[Si]=NC2=[NH+]CN1"]
["148161088","Cc1nnc(CCN=C2NCC(C)N2)s1"]
["22522347","CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Br)cc2)[C@@H]2C(=O)CCCC2=N1"]
["176242341","CC1=[C-]NCN=C1C.[Lr]"]
["166208471","COC(=O)c1sc2[nH]c(C(C)C)nc(=O)c2c1N"]
["13259456","CCN1N[C@H](C(=O)OCC(=O)C2=c3ccccc3=[NH+]C2)c2ccccc2C1=O"]
["98614143","CC1=C(C(=O)OC2CCCCC2)C(c2ccc(Br)cc2)C2C(=O)CCCC2=N1"]
["12866504","CC1=C(C(=O)OCCCl)[C@H](c2ccc(Cl)c(Cl)c2)NC(O)=N1"]
["23894231","COC(=O)C1=C(C)N=C(O)NC1c1cc(Cl)c(O)c(Cl)c1"]
["20692759","CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@@H]1c1ccc(Cl)c(Cl)c1"]
["97875718","CC1=[C-]NCC=[C+]1"]
["21006497","CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]2C(=O)CCCC2=N1"]
["96868232","c12c3c4c5c1c1c6c7c8c1c1c2c2c9c3c3c%10c4c4c%11c5c6c5c%11c6c%11c4c%10c4c%10c3c9c3c9c2c1c1c8c2c8c7c5c5c8c7c8c(c%11c4c4c%10c3c3c9c1c2[si]7c3[si]48)[si]65"]
["97905289","c12c3c4c5c1c1c6c2c2c3c3c7c4c4c5c5c1c1c6c6c2c3c2c7c4[si]5c1[si]62"]
["97440657","c12c3c4c5c6c1c1c7c2c2c3c3c4c4c5c5c6c1[si]1c5c5[si]4c3c3c2c7c1[si]35"]
["96814706","c12c3c4c5c6c1c1c7c2c2c8c3c3c4c4c9c5c5c6c6c1c1c%10c7c7c2c2c8c8c3c3c4c4c9c9c5c5c6c1c1c6c%10c7c7c2c2c8c3c3c4c4c9c5c1[si]1[si]5[si]8[si]4[si]4[si]9[si]%10c3c2c7c6[si]2[si]3[si]%10[si]6[si]7[si]9[si]9[si]%10[si]4[si]4[si]8[si]8[si]5[si]5[si]%11[si]1[si]2[si]1[si]2[si]3[si]6[si]3[si]6[si]2[si]2[si]1[si]%11[si]1[si]5[si]5[si]8[si]8[si]4[si]%10[si]4[si]%10[si]9[si]7[si]3[si]3[si]6[si]6[si]2[si]1[si]1[si]5[si]8[si]4[si]([si]%103)[si]16"]
["96939676","c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1[si]1c6c2[si]3c41"]
["26475585","CC1=NCCc2sccc21"]
["96840775","c12c3c4c5c1c1c6c7c2c2c3c3c8c4c4c5c1c1c6c5c7c2c3c2c8c4c1[si]52"]
["97535826","c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1c1c6c2c3[si]41"]
["174448578","Cl[SiH2]C1=NCCS1"]
["89129211","CCC(c1cccs1)N(C)C(=O)CN"]
["48691648","CCC(NC1=NCCS1)c1ccccc1C"]
["32467491","[2H]c1sc2c(c1[2H])C(=C1C([2H])([2H])C([2H])([2H])N([2H])C([2H])([2H])C1([2H])[2H])c1c([2H])c([2H])c([2H])c([2H])c1C([2H])([2H])C2=O"]
["32082297","[2H]c1c([2H])c([2H])c2c(c1[2H])[C@H](N=C(O)[C@@H](N=C(O)[C@@H](O)C(C)C)C([2H])([2H])[2H])C(=O)N(C([2H])([2H])[2H])CC2([2H])[2H]"]
["25944759","O=C1SNc2ccccc2C2=C1C=CCC2"]
["184631397","[2H]c1c([2H])c([2H])c2c(c1[2H])OC(=O)C([2H])(N(C)C)C2[2H]"]
["161242861","Nc1cc2c(cc1N1CCOCC1)OC1(CCN(C(=O)O)CC1)C2"]
["192173756","[2H]c1c([2H])c(C)c([2H])c([C@@H](O)C([2H])([2H])CCC([2H])([2H])c2c([2H])c([2H])c(NC(=O)Cc3csc(=N)[nH]3)c([2H])c2[2H])c1[2H]"]
["65274192","[2H]c1sc(=N)[nH]c1CC(=O)Nc1c([2H])c([2H])c(CC([2H])([2H])CC([2H])([2H])[C@]([2H])(O)c2ccccc2)c([2H])c1[2H]"]
["53039839","[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@@]1([2H])N(C)CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14[2H]"]
["33477885","[2H]c1c([2H])c2c([2H])c([2H])c1C([2H])([2H])CC1=CC(=O)C(=CC1=O)CC2([2H])[2H]"]
["121331714","C=CCN1C(=O)c2ccccc2NC1c1ccc2c(c1)CCC(=O)N2C"]
["179929504","C=C1Nc2c(C3CC3)cc(C)c(-c3ccc(C(C)(C)CI)cc3)c2-c2ccsc21"]
["70024197","N=c1[nH]c(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCCC3O)c2=O)cs1"]
["76239748","[1CH](=[1CH]/[1c]1[1n][1cH][1n][1c]2[1c]1[1n][1cH][1n]2[1CH]1[1CH2][1CH2][1CH2][1CH2][1O]1)\\[1c]1[1cH][1cH][1cH][1o]1"]
["76239780","[1CH3]/[1C](=[1N]\\[1OH])[1CH]([1CH2][1C](=[1O])[1N]1[1CH2][1CH]([1CH3])[1O][1CH]([1CH3])[1CH2]1)[1c]1[1cH][1cH][1cH][1o]1"]
["76239888","[1CH3]S[1CH2][1C@H]1[1O][1C@@H]([1n]2[1cH][1n][1c]3[1c]([1NH2])[1n][1cH][1n][1c]32)[1C@H]([1OH])[1C@@H]1[1OH]"]
["76239768","[1OH][1C@H]([1CH2][1C@H]([1OH])[1C@H]([1OH])[1CH2][1C@H]([1OH])[1c]1[1cH][1cH][1cH][1o]1)[1c]1[1cH][1cH][1cH][1o]1"]
["164658529","C=C(C=C(C#N)C#N)c1nsnc1/C(=C\\C)c1ccc(-c2cc3c4c(ccc3s2)C(c2ccc(C)cc2)(c2ccc(C)cc2)C(=C)/C4=C\\C2=C(C)c3c(ccc4c3=CC(c3ccc(-c5ccc(C=C(C#N)C#N)c6nsnc56)s3)=S=4)C2(c2ccc(C)cc2)c2ccc(C)cc2)s1"]
["170556253","N#C/C(=C\\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)c1ccccc1"]
["149842959","COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OC)cc5F)s4)c4nsnc34)c(F)c2)cc1"]
["198451991","CCCCC(CC)Cc1cc(CC(CC)CCCC)cc(-c2ccc(-c3ccc(-c4cc5sc(CC(CC)CCCC)cc5s4)c4nsnc34)c(F)c2)c1"]
["148624189","N#C/C(=C\\c1ccc(-c2ccc(-c3ccc(/C=C(\\C#N)c4cccc5nsnc45)s3)c3nsnc23)s1)C1=CC=C/C(=N/S)C1=N"]
["100303140","CCC(C)(C)C1=S=C(c2ccc(-c3ccc(C(C)(CC)CC)c4nn(CCCCCC[N+](C)(CC)CC)nc34)s2)C=C1"]
["44778072","Cc1ccc(-c2csc(C(C#N)=Cc3cc4cc(Br)ccc4nc3Cl)n2)c(C)c1"]
["149795415","C=CC=C(c1cccc(Cl)c1)c1sc2ccc(C#N)cc2c1C"]
["58109035","CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(C)cc6)c(-c6ccc(C)cc6)nc45)s3)cc21"]
["193727220","CCCc1noc(Cn2cc(/C=C(\\C#N)c3ccc(C)cc3)c3ccc(Cl)cc32)n1.CCOc1ncc(Cn2cc(/C=C(\\C#N)c3ccc(C)cc3)c3ccc(Cl)cc32)s1.Cc1ccc(/C(C#N)=C/c2cn(Cc3cc(Cl)cc(Cl)c3)c3cc(Cl)ccc23)cc1"]
["175742801","CC.CC(C)CC1(CC(C)C)C2=CC(C(C)(C)C)=S=C2c2sc(-c3ccc(C(C)(C)C)c4nsnc34)cc21"]
["195951311","C=C(S)C1=S=C(c2ccc(-c3sc(-c4ccc(/C(=C/CCCCCCCCC)SC(C)(S)SCC)c5nsnc45)cc3CCCCCCCC)s2)C=C1"]
["199448802","CB1c2ccccc2B2C3=C[C]4B5c6ccccc6B(C)c6ccc7c(c65)N(C4=C=C3N3C4=C=CC(C)=C[C+]4B(C)c4ccc1c2c43)C1=C=CC(C)=CC1=[B-]7C.[Bi]"]
["54065640","CC1=CC2=[B-](c3c(C)cccc3C)c3cccnc3C2=C=C1.CC1=CC2=[B-](c3c(C)cccc3C)c3cccnc3C2=C=C1.[Pt+2]"]
["75889161","CC1=C[C](N2CC3CC(C2)CN(c2cnc4cc(F)ccc4n2)C3)C(n2cccn2)=C=C1"]
["170932507","CC1=CC2=C3C=CC(c4cc(C(C)(C)C)ccn4)=C=C3N(c3[c-]c(C4=N[C@H](c5ccccc5)[C@@H]5c6ccccc6CN45)cc(C(C)C)c3)C2[C-]=C1.[Pt+2]"]
["168402046","CC1=CC=C[CH+]/C1=C\\C1=C/C(=C/c2ccccc2C)CC1.CNC.[O-][Cl+3]([O-])([O-])[O-]"]
["196561388","Cc1cc(C)c(B2c3cc(C)ncc3N3c4cc5ccccc5c5c4N(c4cc6ccccc6c2c43)c2ncc(C)cc2B5c2c(C)cc(C)cc2C)c(C)c1"]
["191596656","Cc1cccc2c1N1B(c3ccccc3-c3ccc[n+](C)c31)C2C"]
["175488739","CB(c1ccccc1C)c1cc2c(cc1C)B(C)c1ccccc1C=C2.CC.CC"]
["148881029","COc1ccccc1S(=O)(=O)Nc1cccc(-c2cn3ccc(C)cc3n2)c1"]
["199411864","CB1c2ccccc2B2c3cc4c(cc3N3c5ccc(C)cc5B(C)c5ccc1c2c53)N1c2ccc(C)cc2B(C)c2ccc3c(c21)B4c1ccccc1B3C"]
["170194902","CB1C2=c3ccccc3=CC3C2N(c2ccccc21)c1cc2ccccc2c2c1N3c1ccccc1B2C"]
["28868696","Cc1[nH]c(=N)nc2c1C(O)=NC(c1ccccc1OC1CCCC1)C2"]
["180404303","C[C@H]1C23[I-]C4(I)C(Cl)(I)[I-]C2(C)[I-]C2(C)CC5C(I)C[C@@]1(C)C(I)(C52)[C@@]1(C)[I-]C25C([I-]C1C3I)C4(I)C2(I)[C@@](C)(I)C5I"]
["178808452","CC(C)C1C2[I-]C3[C@@]45C(CC6C[C@@]3(C)C64C)[I-]C3C(I)[C@]1(C)[I-]C325"]
["179888872","CC1C2(C)CCC3(C)[C@@H](C)C3(C)CC(N)C12C"]
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["64310291","POCC(OP)C(OP)C(OP)C(COP)OP"]
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["78990585","[CH2-]C([CH2-])COBr.[Mg+2]"]
["45562148","CCC(OP)c1ccccc1"]
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["185861428","CCCOC(OCCC)c1cccc([O-])c1[O-]"]
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["164564765","O=[Se]1CCCC1"]
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["167209875","CC(C)(Cl)C1=C(Cl)C(C)(C)O[Se]1=O"]
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["78635229","FOOC#CP"]
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["57585893","FO[B-]OF"]
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["78572331","FOOF.O=P(O)(O)O"]
["57288186","FOOSF"]
["172050743","[CH2-]OF.[Rf].[Rf]"]
["62149145","O[Si](O)(O)OF"]
["199220176","O=[C-]OOF.[Ag+].[Ag]"]
["24977552","C=[C]OF"]
["64763342","[Se]1[Se][P+]2=[Se+]P1[Se][Se]2"]
["78292621","N#CC=CC[PH2]=O"]
["78412973","BB(B)B(B=NB(B(B)B)B(B)B)B(B)B"]
["97934527","BB=[SH](=PB)B(B)B"]
["150652150","BB(B)B(B(B)B)B(B(B)B)B(C)C"]
["78488004","BBB(C)B(B)B"]
["164333238","BBB(N=BB(B)B)B(B)B"]
["83275020","BB(B)B(B)BN=C=O"]
["78376908","BB(B)B(B)B=S"]
["79766573","BB(B)B(B)B(B)B"]
["144654276","BB(B)PB(B(B)B)B(B)B"]
["78412993","BB(B)B=NB(B)B(B)B"]
["78488831","BB(B)B(B(B)B)P(B(B)B)B(B)B"]
["78330048","BB(B)B(B=S)B(B)B"]
["172907870","BrCCCCCC[c-]1[c-][c-][c-][c-]1.[Fe+2].[c-]1[c-][c-][cH-][c-]1"]
["189027241","CCCCCCCC(CCCCCC)OC(=O)OCCCCCCBr"]
["53660953","BrCCCCCCBr.Cc1cccc(C(=O)c2ccc(OCCCCCCBr)cc2)c1C"]
["91152236","BrCCCCCCN(Cc1ccccc1)Cc1ccccc1"]
["25934469","O=CCCCCCCCCCBr"]
["94663608","Cc1ncn(CCCCCCCCCBr)c1C"]
["175195483","BrCCCCCCC1CNCCO1.N"]
["172812059","C[N+](C)(C)CCOP(=O)([O-])OCCCCCCBr"]
["60243098","COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCCCCBr)c2c1"]
["53499449","COCc1ccc(-c2ccc(COC)c(CCCCCCBr)c2)cc1CCCCCCBr"]
["79264872","SC(S)=NCCCCCCCCCCCCCCCCBr"]
["182188107","O=C(O)CCN(OCc1ccccc1)C(=O)CCCCCCCCCBr"]
["48630027","[CH+]=P(=[CH-])CP(CP(CP(=[CH+])=[CH-])CP(=[CH+])=[CH-])CP(=[CH+])=[CH-]"]
["49800831","[CH+]C(=O)NC[CH-]"]
["78751179","CCCCCCP(CCCCCC)CP(CCCCCC)CP(CCCCCC)CCCCCC"]
["25212546","CCCCP(CCCC)CP(CCCC)CCCC"]
["78381832","[CH+]=P(=O)[O-]"]
["101554936","O=C([O-])CP(CCP(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]"]
["49739530","C=C(C)CP(CC(=C)C)CP(CC(=C)C)CC(=C)C"]
["184334322","CC(=O)N(I)CCI"]
["173613709","[B+]=P(=[CH-])F"]
["25200348","CCCN(CC)N(CC)CC"]
["26615556","CC.CCP(CC)CP(CC)CC"]
["32730631","OCP(CO)CO.[Cu+2]"]
["91177412","BrB1N[B]N[B]N1"]
["175100909","C=C[SiH3].[B]1N[B]N[B]N1"]
["160930233","[B]1N[B]N[B]N1.[N]N=[N-]"]
["79674708","BrB1OB(Br)OB(Br)O1"]
["173610697","N.[B]1N[B]N[B]N1"]
["91441250","N[Si](N)(N)NB1N[B]NB(N[Si](N)(N)N)N1"]
["91295039","CN1B(Br)N[B]NB1Br"]
["175569522","O=C(O)CC(=O)O.[B]1N[B]N[B]N1"]
["168502155","IB1N[B]N[B]N1"]
["55541521","CCCC(C)(CCC)CB1N[B]N[B]N1"]
["168630134","[B]NB1N[B]N[B]N1"]
["168630133","[B]NB1N[B]N1"]
["26102908","BrC1CC(Br)CC(CC2CC(Br)CC(Br)CC2Br)C(Br)C1"]
["184500698","Cc1ccccc1C(=O)OC1C(Br)CC(Br)CC1CN=C(O)c1ccccc1Cl"]
["90619110","BrC1CC2C3CCC1C(Br)C32"]
["175228149","O=C1CCC(Br)CO1"]
["150151697","O=C(O)CC1CCC(Br)C1"]
["91038404","COC1CC2C(CC=O)CCC2O1"]
["49016989","CCCC1CCC(Br)C(Cc2ccc(C)c(C)c2)C1"]
["MCULE-2636301338","Clc1cc(C2CC2CCBr)c(Br)cn1"]
["49873635","BrC1CC1.C"]
["148537936","COC1(OC)CC(Br)C1"]
["3420738","[NH3+]C[C@H]1C[C@H]1c1ccccc1"]
["156599544","CC(C)(C)c1ccc([C@H]2C[C@H]2CCl)s1"]
["57143366","[O-]N1ONC2C1C1NC[NH2+]C1C1NO[NH+]([O-])C12"]
["83288848","CN1C(=O)C2C(NO[NH+]2[O-])N(C)C1=O"]
["91095100","[O-][NH+]1ONC2N=C(O)C3CCCCC3C21"]
["69689881","CCOC1NC2C(N=C1O)NO[NH+]2[O-]"]
["184543850","[B+]=C1CNN2C1=NC(NCC1CCC[NH2+]1)=[C-]C2[NH-]"]
["174848744","C[C@@H]1OCNC1C(=O)O.c1cscn1"]
["83461230","O=C1CCC2C(C1)NO[NH+]2[O-]"]
["82164336","O=C1NC2CC3NON([O-])C3CC2NC1=O"]
["77632325","CC(=O)C1C2C3NON([O-])C3CCC2[NH+]([O-])C1C"]
["47970710","CCC1NC2C3NON([O-])C3C3NON([O-])C3C2N1"]
["163248061","NC1N=C(O)C2C(NON2[O-])N1"]
["183872887","CC(C)C1CC(N=[N+]=[N-])=CCN1"]
["164498707","N1=[SiH]\\N=[S+]/N=[SiH]/N=[S+]/1"]
["68539778","[CH+]=C[Si](Cl)(Cl)Cl"]
["23865555","CC(O)c1ccc(-n2ccnc2)cc1"]
["75072236","[C-]#[N+]c1ccc(-n2ccnc2)cc1"]
["44912612","CC(C)NCc1ccc(-n2ccnc2)cc1"]
["92054643","CSC(C)(C)CNCc1ccc(-n2ccnc2)cc1"]
["75215733","O=Cc1ccc(-n2ccnc2)cc1.O=Cc1ccc(-n2ccnc2)cc1"]
["18444702","C[C@H](O)c1ccc(-n2ccnc2)cc1"]
["50543479","C/C(=N/NC(N)=[NH2+])c1ccc(-n2ccnc2)cc1"]
["195146856","CN.O=Cc1ccc(-n2ccnc2)cc1"]
["175406497","CC.O=Cc1ccc(-n2ccnc2)cc1"]
["79584506","OO[Si](O)(O)OO"]
["83057089","C1N[Si-]CN[Si+]1"]
["161726673","C1NC[Si-]=S=[Si+]1"]
["184746710","C1NC[Si-]=[Si]=[Si+]1"]
["68846377","C[N+]1(N)CC[NH2+]CC1"]
["196455344","C1=[Si-]NC[CH+]1"]
["161689039","Cl.[B]1CCNN1"]
["177985046","C[C@]12CCC[C@](C)(C[C@@H](N)C1)N2"]
["68429233","C1C[Si-]N[Si]=[O+]1"]
["100295992","[B]1CCNN1"]
["25153632","C1CN2CC(C2)N1"]
["161795347","C1ON[Si-]=[Si]=[Si+]1"]
["33543072","C1CN[C@H](CN(C[C@@H]2CCCN2)C[C@@H]2CCCN2)C1"]
["172150167","[Si+][Si](=[Si-])[Si-](=[Si+])([Si-]([Si+])(=[Si+])[Si-])[Si-]([Si+])(=[Si+])[Si-]"]
["83057720","[K+].[Si+][Si]([Si-])=[Si-]"]
["60040814","O[Si]([Si+])=[Si-]"]
["194609062","C[Si][Si-](=[Si+])([Si]#[Si-])[Si+]C"]
["168505828","CCCCCCCCCCCC[Si-]([Si+])(=[Si+])[Si-]"]
["168505824","CCCCCC[Si-]([Si+])(=[Si+])[Si-]"]
["69640082","[Si][Si]([Si+])=[Si-]"]
["168505822","CCC[Si-]([Si+])(=[Si+])[Si-]"]
["62007796","CCCCC[Si]([Si+])=[Si-]"]
["99802116","C[Si](C)([Si]([Si])=[Si+])[Si](=[Si-])S"]
["91389770","[Si][Si-](=[Si+])([Si]#[Si+])[Si]#[Si-]"]
["168632621","[Si+][Si](=[Si-])[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1"]
["83064683","O1[Si-]=[O+]P[O+]=[Si-]OP1"]
["100296958","CCC1(CC)[Si-]=[O+]P[O+]=[Si-]1"]
["58003562","C=CC(C)(C)[Si]1O[Si-]=[O+]1"]
["161706332","CS1(C)(C)(C)O[Si-]=[O+]S(C)(C)(C)(C)[O+]=[Si-]O1"]
["79642978","O1[SiH2][SiH2]OP1"]
["65937695","O[Si]1O[O+]=[Si-]O1"]
["176684204","C1OC[O+]=[Si-]O1"]
["161786741","C1CPCC[O+]=[Si-]O1"]
["52644728","o1[si-][o+][o+][si-]1"]
["64256399","CC1[O+]=[Si-]OC1(C)C"]
["97309912","C1=CC[O+]=[Si-]OC1"]
["48750548","C[Si]1O[Si-]=[O+]1"]
["34429659","O=C1OCc2ccc(cc2)CCC2=CCC34c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c-%14c%14c%25c%26c(c-9c(c9c%27c3c3c5c5c%28c6c(c%117)c(c%12%16)c%17c%28c%19c5c5c3c3c%27c(c%269)c(c%25%23)c%22c3c%205)C84C2)C%142C1(C(=O)OCc1ccc(cc1)CCC1=CCC%18%21C%15%24C1)C%10%132"]
["102955947","CC(C)(C)OC(O)=N[C@@H](Cc1ccc(N=C2CCC34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C84C2)cc1)C(=O)O"]
["199359126","CC1(C)C(=O)OCc2ccccc2C#Cc2ccccc2COC1=O.CC1(C)C(=O)OCc2ccccc2C#Cc2ccccc2COC1=O"]
["47290625","[C-]#[N+]c1ccc2nc3c(c4c2c1CCC4N)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC"]
["170893368","Cn1nccc1N1CC=C2C(C)(C)C(=O)C(C#N)=C[C@@]2(P)C1=O"]
["200567117","CC(C)C1N=C(c2cccc3c2C2(CC3)CCc3cccc(C4=NC(C(C)C)OC4)c32)CO1"]
["155583510","Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(F)ccc1F)([C@H](C)Br)O2"]
["54251284","C(=Nc1ccccc1)C12CCCCc3ccc(cc3)CCCCC3(C=Nc4ccccc4)C45c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c=7c4c4c7c%17c%18c%19c(c%20c6c9c6c%20c9c%19c%19c%20c%18c%18c7c(c4%16)c4c%15c7c%13c%13c%12c%12c%10c6c6c9c%19c9c(c%126)c%13c6c7c4c%18c%20c69)C%1735)C%141C8%112"]
["81050316","O=C1CC2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)Oc2ccccc21"]
["MCULE-9358914434","O=C1CCc2cccc(-c3cc(CO)ccc3F)c21"]
["197886910","O=C1CCc2cccc(OCC3CC(F)(F)C3)c21"]
["145298124","CC(C)(C)c1cccc([C@@]23C=C[C@]4(c5cccc(C(C)(C)C)n5)c5c6c(=O)c(=O)c7c6c6c8c5c5c9c4c2c2c4c(c%10c(=O)c%11c%12c7c7c6c6c8c8c5c5c%13c9c2c2c9c4c4c%10c%11c%10c%11c%12c7c7c6c6c8c8c5c5c%13c2c2c9c9c4c%10c4c9c9c2c5c2c8c6c5c7c%11c4c5c92)C3=O)n1"]
["101508361","Fc1c(F)c(F)c(N=c2nc(Sc3c(F)c(F)c(F)c(F)c3F)[nH]c(=Nc3c(F)c(F)c(F)c(F)c3F)[nH]2)c(F)c1F"]
["MCULE-8723988935","Cc1ccc(N=c2[nH]c(N3CCN(c4ccccc4F)CC3)nc(=NCc3ccc(O)cc3)[nH]2)cc1F"]
["MCULE-3988280701","Cc1ccc(-c2cc(O)nc(=NCC(O)=Nc3c(F)cccc3F)[nH]2)cc1"]
["54431410","COc1nc(Cl)nc(=Nc2cc(F)c(F)cc2F)[nH]1"]
["45228558","Cc1nn(-c2ccccc2)c(OC(=O)C(c2ccccc2)c2ccccc2)c1Sc1c(F)c(F)c(F)c(F)c1F"]
["148711214","CN(CC#Cc1nc2c(=O)n(C3CC3)c(=O)n(C3CC3)c2[nH]1)C(=O)Oc1ccc(F)cc1"]
["33571588","CC1(C)C(=O)C(Sc2c(F)c(F)c(F)c(F)c2F)=C1N[C@@H](Cc1ccc(N=C(O)c2c(Cl)cncc2Cl)cc1)C(=O)O"]
["86327318","CCCOc1nc(=N)[nH]c(=Nc2cccc(F)c2C)[nH]1"]
["69540263","CNCC(O)=Nc1c(F)c(F)c(F)c(F)c1F"]
["86346080","CCN=c1nc(N2CCCCC2)[nH]c(=Nc2ccsc2)[nH]1"]
["26397644","Fc1nc(F)[nH]c(=Nc2ccccc2Cl)n1"]
["103541913","C[C@@H]1CN([C@H](C)C(O)=Nc2c(F)c(F)c(F)c(F)c2F)C[C@H](C)O1"]
["56139704","[CH2-][NH+]1CC2=C(c3nccnc3[NH+]2[CH2-])C2(CCC2)C1"]
["CSSS01977098748","O=C(NC1(c2nccc(C(F)F)n2)CCC1)c1ccncc1F"]
["62815149","O=C1CNC(=O)c2nccnc21"]
["112363754","Cn1cc(CCC2(N)CC2)c2nccnc21"]
["163404045","CC(C)CN1CCCC12CCN(C(=O)c1cnccn1)C2"]
["55846197","O=C(c1cnccn1)N1CCCC2(C1)C(O)=Nc1ccccc12"]
["197704278","[CH2-][NH+]1CCCCC2(CC2)C1"]
["175470408","Nc1cccc(C(F)(F)F)n1.Nc1nccnc1-c1ccccc1"]
["112719618","CSC1(CN=c2[nH]ccnc2Cl)CCC1"]
["138424553","O=C(NCC1(CO)CCC1)C(O)=Nc1ccc(-c2ncon2)cc1"]
["95003257","CC(N)c1ccnc(N(C)CC2(N(C)C)CCC2)c1"]
["160663187","O=C(c1ccccn1)N1CC2(CCC2(F)F)C1"]
["180205588","C1C2=C1[N+]1=C(C2)C1"]
["55000477","C1C2=C(C2)C2=C1C2"]
["179233982","C=[N+]1C#CC2=C1C2"]
["91154033","C1[Te]CC2=C1C[Te]C2"]
["74962125","O=C1C[N+]2=C(CC2=O)S1"]
["180510129","C=C(C)c1ccc2c(c1)[N+]1=C(Cc3cc(F)ccc3O2)C1"]
["179707188","C1c2c3c4c1c(c2=4)C3"]
["43196638","O=C1CC2=C(CCC3=C2CCC3)[N+]1=O"]
["156464922","O=C1CC(=O)[C@H](O)C1"]
["98982297","Nn1c(O)c2c(c1O)Cc1c(c(O)n(N)c1O)C2"]
["180944324","C1OCC2=C1C2"]
["167338641","CC1C=[N+](C)C2=C1C(=O)OC(=O)C2"]
["100857976","[CH2+][C+]1C=C[SiH3-]C=C1"]
["96749677","O[C+]1C=CC(F)C=C1"]
["56193405","C1=[O+]C1.[H+].[H+]"]
["114033179","CC(C)(C)C(O)C(F)(F)Br"]
["98754006","C[C+]1C=CC1C"]
["100857972","C1=C[SiH3-]C=C[CH+][CH+]1"]
["171830747","NC1C=C[C+](C(=O)O)C1"]
["99993008","CC1C=C[C+]([Si](C)(C)C)C=C1"]
["91314748","C=c1ccc(=C2C=C[C+]([CH2+])C=C2)cc1"]
["99385175","OC[C+]1C=CC(=[As-])C=C1"]
["174221348","CC(C)(C)C(=O)[C+]1C=CC(=[As-])C=C1"]
["101301991","CC(C)(C)[C+]1C=CC(Br)C=C1"]
["91436359","[Ge+]#S[Ge]#S[Ge-]=S=[Ge+]S#[Ge-]"]
["83056771","[Ge+]#S[Ge]S#[Ge-]"]
["91436356","[Ge+]#S[Ge-]=S=[Ge+]S#[Ge-]"]
["172127448","CC(C)CCCC(C)CCCC(C)CCCC(C)CCO[C@@H](COP(=O)([O-])OCC[NH])C[O+]CCC(C)CCCC(C)CCCC(C)CCCC(C)C"]
["165101538","CCCCCCCCCCCCCCCCCCC(O)=NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCCCC"]
["70158023","CCCCCCCCC=CCCCCCCCCCCCCOP(=O)([O-])OCC[As](CC)(CC)CC"]
["196901174","CCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C"]
["101175436","CC(C)CCCO[PH](=S)OCCCC(C)C"]
["167948366","CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)CO"]
["170002851","CC(C)CN(C)CC(F)COCCCC(C)I"]
["79335728","[CH2]CCC(C)CCCC(C)CCCCNC"]
["170595703","CC(C)CCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)O"]
["197032355","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCC"]
["164597593","CC(C)CCCC(C)CCCOc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2cc1OCCCC(C)CCCC(C)C"]
["167900181","CCCCCCCC/C=C\\CCCCCCCCOC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC"]
["185337182","[CH-]1C[Br+]O[N-]1"]
["173096742","C.O=C1[CH-][N-]CC(=O)O1.[Co+2]"]
["175264232","[B+]=C1[CH-]OCC1"]
["43611577","C1[N-]CO1.[Rf].[Rf]"]
["47766775","NN1CO[CH-]C1=O"]
["180593621","[CH-]1CC[I+]O[N-]1"]
["58459263","CC1COSC1C"]
["68258224","[B]C.[CH-]1CO1.[Y]"]
["173987269","[B+]=[B-]1CNC1"]
["61266463","[CH-]1CO1"]
["199863810","[CH-]1CO1.[CH-]1CO1.[W+2]"]
["26748746","C1#[N+][N-]NC1"]
["187222950","[BH3-][NH2+][BH2-][NH2+][BH2-][NH3+]"]
["192604136","C.C[BH2-][NH3+]"]
["199373244","[BH3-][NH2+][BH2-][N+](CC)(CC)CC"]
["170561083","[BH3-][NH2+][BH2-][NH2+][BH3-].[Rb+]"]
["59194942","[BH3-][NH2+]C(C)(C)C"]
["170561082","[BH3-][NH2+][BH2-][NH2+][BH3-].[Cs+]"]
["147815272","[BH3-][NH2+]CCN"]
["170560689","[NH3+][BH2-]N=C=[SH+]"]
["68300018","[BH3-][NH2+]CC[NH2+][BH3-]"]
["195277205","[O-]C(C(F)(F)F)(C(F)(F)F)C(O)(O)C(O)(C(F)(F)F)C(F)(F)F"]
["199345487","[BH3-][NH2+]N.[Na+]"]
["170555570","[BH3-][NH2+][BH2-]n1ccc(=[N+](C)C)cc1"]
["91589424","[O-][As]([O-])[As]=[As][As+]#[As]"]
["168665920","[Ca+2].[O][As]([O-])[O-]"]
["91589422","O=[As]([O-])=[As][As]=[As]"]
["91119248","[O-][As]([O-])[O+]=[Ge+]"]
["60987213","[As]#[As+]CC[As-]"]
["91589426","O=[As]([O-])=[As][As]=[As][As]=[As]"]
["23618936","[Cu+2].[O][As]([O-])[O-]"]
["172073338","[O-]S1([O-])=C=CC=C=1.[Y].[Y]"]
["173451872","[Ag].[O-][As]([O-])[S-]"]
["21152268","C.[Cu+].[O][As]([O-])[O-]"]
["78289314","[Ag+3].[O-][As]([O-])[S-]"]
["91170091","O=[As]([O-])=[As]"]
["97884762","C=C(C#CS)C#CC(=C)C#CC(=C)C#CC(=C)C#CC(=C)C#CS"]
["79054827","C=C(CN1CCCCCCCC1)[SiH](CC)CC"]
["175472367","C=CC=NC(=C)C#N"]
["171907443","[N-]=C=C(S)C(S)=C=[N-]"]
["51323456","C=C(C)C[NH+]=C(S)N1CCN(CC)CC1"]
["33219284","C=C(C#CC1CCCCC1)C1CCCCC1"]
["174695516","C=C(C)/C=C\\C(=C)S.C=CC"]
["167256535","O=C([O-])C#CS.[Li+]"]
["83979087","C=C(C)C#CC(C)(C)Cl"]
["181008495","N#CC(N)(O)S"]
["181969884","C=C(C#CCC)[SiH](C)C"]
["79213299","C=C(Br)C(Br)(Br)S(=O)(=O)C(Br)(Br)C(=C)Br"]
["170570726","S=c1n(B(N2C=C[NH+](c3ccccc3)C2=[S+])N2C=C[NH+](c3ccccc3)[C-]2S)ccn1-c1ccccc1"]
["23413319","N#CC(=Cc1cccn1-c1ccccc1)C(=O)Nc1ccc(Br)cc1"]
["MCULE-6537897321","CC(=O)c1sc(NC(=O)c2nccn2-c2ccccc2)nc1C"]
["49583677","S=C1N(c2ccccc2)CSCN1c1ccccc1"]
["184928924","Clc1ncnc2c1c(C1=C/C=C3/C/C3=C/C=C\\1)cn2-c1ccccccccc1"]
["108308168","COc1ccc(CCN=C(O)c2c3c(cn2-c2ccccc2)CCC3)cc1OC"]
["120018330","CC(CNc1nccn1-c1ccccc1)N(C)C"]
["168486873","[B]1NC=CN1c1ccccc1"]
["54984197","O=c1c2c3nc4ccccc4nc3n(N=Cc3ccccc3)c2ncn1-c1ccccc1"]
["24232603","CC(C)N(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)C(C)C"]
["33311655","CC(C)(C)c1cc(/C=C/C=N/NC(=N)N)cn1-c1ccccc1"]
["102573587","CC(C)Oc1ccc(N2C(S)=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1"]
["99342722","O[Si]=C=[C+]C[Si-]O"]
["78146038","CC[C]=C(CC)CC.[Al]"]
["25824385","CC[C]=C(C)Cl"]
["180951482","FCC/C(I)=C(/I)CCF"]
["100232240","CC[Si]O.OO"]
["75530015","C#CCC1(OC(=N)O)CCCC(I)C1"]
["61510040","OC#[Si]O"]
["63451545","CCC#CC(=O)S"]
["175064429","CC(C)CC=C(CO)C(C)O"]
["171959288","O=C=[Si]O"]
["78263986","I[C]=C(I)CI"]
["53275045","CC([Si+]O)C(C)[Si-]O"]
["185457833","[GeH+]=[GeH]C=CC=[GeH-]"]
["100857704","C[NH+](C)C/C=C/CO"]
["167147122","OCO[C]=COCO"]
["173665678","[B]=C(C)/C=C\\C(C)=BC"]
["173745340","[B]=C/C=C\\N(C)C"]
["182057921","[GeH+]=[GeH]C=[GeH-].[GeH]#[GeH]"]
["178255498","[B]/C(=C/C)NN"]
["24878888","C1OP2OCP1CO2"]
["182057922","[GeH+]=[GeH]C=[GeH-]"]
["168457848","[B]=CN=O"]
["91070352","NNC=C=S"]
["174033165","[B]/C(=C/N)NN"]
["78431386","B1C#COOOO1"]
["25796589","[CH+]=c1ccc(=C([O-])OC)cc1"]
["79602103","[C]1=NOOO1"]
["44957722","[B]1C#COOOO1"]
["79367936","[3H][C]1C([3H])C([3H])([3H])C([3H])([3H])C1([3H])[3H]"]
["78748221","C1CCCCC1.S.[3H]C1CCCCC1"]
["61736482","CN1C=CN(C)CC1"]
["176542577","[Al].[CH2]N1C=CN(C)CC1"]
["147662662","[3H][C]1SC2CSC(CS2)S1"]
["48682975","[3H]C1([3H])CCN(C)CC1"]
["34071539","C=C1CC2=C(CC1=C)CC1=C(C2)CC2=C(C1)CC1=C(CC3=C(CC(=C)C(=C)C3)C1)C2"]
["32438349","[3H]C1CN1"]
["191047619","C.C.[3H]C1CCC1"]
["98209336","[3H]C1C=NN=CC1"]
["60201931","C1=C2CCC3=CCC=C4CCC(=CC1)C2=C34"]
["68809178","[3H]C1CCCC1"]
["173075824","C[SiH]=[SiH-](C)[SiH](C)[SiH](C)[SiH](C)[SiH](C)N.[Li+]"]
["184808455","CN([SiH](C)N)[SiH](C)N"]
["174861323","CC(=O)C(C)=O.C[SiH](C)N"]
["97654903","Cc1cccc(C)c1C(=C(c1c(C)cccc1C)c1c(C)cccc1C)c1c(C)cccc1C"]
["161142887","C[SiH](N)[SiH3]"]
["98469332","COC(OC)[SiH](C)N"]
["183613725","C[SiH](C)[SiH](N)N"]
["26649541","C[SiH](C)N"]
["173494373","CC(C)(C)N.[H-].[Li+]"]
["174909447","C[SiH](C)S(C)(F)(F)(F)C(C)(C)C"]
["26857062","CCCO[SiH](C)N"]
["101723174","C[SiH]=O.[Al].[Li+]"]
["103032651","[Si+]1=[SiH2-][SiH]2[SiH2][SiH]2[SiH2]1"]
["185217395","CC(C)=C[SiH](C)N(C(C)(C)C)C(C)(C)C"]
["57590211","CN(C(C)(C)C)S(C)(=O)=O"]
["101155395","[SiH2]1[SiH2]P2[SiH]3[SiH](P12)P1[SiH2][SiH2]P31"]
["79262579","[SiH2]1[SiH]2[SiH2][SiH]12"]
["79264792","[SiH2]1[SiH2][SiH]2[SiH2][SiH]12"]
["148560208","IC1[SiH2]C[SiH]1I"]
["101032392","[SiH+]1[SiH2][SiH]2[SiH2][SiH]2[SiH2]1"]
["103032652","[Si+]1=[SiH2-][SiH]=[SiH][SiH2]1"]
["150390356","C1=C[SiH]2C=C[SiH]1[SiH2]2"]
["101117812","[Si+]1=[SiH2-][SiH]=[Si]2[SiH2][SiH]12"]
["97237393","[Si+]1[SiH2][SiH]2[SiH2][SiH]2[SiH2]1"]
["195920562","IS1=PP=PP=P1"]
["145760279","S=S1P=P1"]
["26318627","I[Si](c1ccccc1)c1ccccc1"]
["52154568","[P]1P=PP=P1"]
["174621780","CCc1ccc(C(F)(I)[IH+])cc1"]
["57171949","C[C@@](N)(I)c1ccc(F)cc1"]
["82068662","CC(N)(I)c1ccc(F)cc1"]
["33302321","[Na+].[P]1P=PP=P1"]
["64203441","C[C@](N)(I)c1ccc(F)cc1"]
["74892708","C1=C[N]c2cnccc2N=1"]
["195831457","ICS1=PP=PP=P1"]
["76239799","[1CH]#[1C][1CH2][1N]([1CH2][1C]#[1CH])[1C@@H]1[1C@H]([1N]([1CH2][1C]#[1CH])[1CH2][1C]#[1CH])[1C@@H]2[1CH]=[1CH][1C@H]1[1CH2]2"]
["76239708","[1CH]#[1C]/[1CH]=[1CH]\\[1CH2]/[1CH]=[1C]1/[1O][1C@H]2[1CH2][1CH]([1C@@H](Br)[1CH2][1CH3])[1O][1C@H]2[1C@@H]1Br"]
["91243385","CC(C)(C)[Ge]1=[O+][Ge]2(C(C)(C)C)O[Ge](C(C)(C)C)(O1)O[Ge]1(C(C)(C)C)O[Ge-](C(C)(C)C)O[Ge](C(C)(C)C)(O1)O2.O"]
["96941273","CC(C)(C)[Ge]1(Cl)O[Ge]2(C(C)(C)C)O[Ge](C(C)(C)C)(O1)O[Ge]1(C(C)(C)C)O[Ge](Cl)(C(C)(C)C)O[Ge](C(C)(C)C)(O1)O2"]
["91630387","CC(C)(C)[Ge]12O[Ge]3(C(C)(C)C)O[Ge](C(C)(C)C)(O1)O[Ge]1(C(C)(C)C)O[Ge](C(C)(C)C)(O[Ge](C(C)(C)C)(O1)O3)O2"]
["91243386","CC(C)(C)[Ge]1=[O+][Ge]2(C(C)(C)C)O[Ge](C(C)(C)C)(O1)O[Ge]1(C(C)(C)C)O[Ge-](C(C)(C)C)O[Ge](C(C)(C)C)(O1)O2"]
["59369785","CC(C)(C)[Ge]1(C(C)(C)C)O[Ge](C(C)(C)C)(C(C)(C)C)O[Ge](C(C)(C)C)(C(C)(C)C)O1"]
["91630388","CC(C)(C)[Ge]1(Cl)O[Ge](Cl)(C(C)(C)C)O[Ge](Cl)(C(C)(C)C)O1"]
["113569281","COC(C)(C)CC(C#N)O[Si](C)(C)C"]
["91571229","[CH]1C=[Si]=C[CH-]1.[Li+]"]
["97410481","[C-]#CC(C1=[C-]C=CC=[C+]1)=C1C=C[CH-]C=C1.[Li+].[Li+]"]
["79328276","CC1=C2C=C[CH-][CH]C2=C=C1.[Li+]"]
["50266428","O=C1[CH-]COCC1.[Na+]"]
["49331429","C=C1B=C[CH-]C=C1.[Li+]"]
["33638457","C1=CC=C2[CH][CH-]C=CC=12.[Li+]"]
["97363661","[CH]1C=C(C23C4C5=C6C4C2C6C53)C=C[CH-]1.[Li+]"]
["174613933","O=C1[CH-]CC=CC1.[Na+]"]
["91551202","COC1=C[Si]=CC=C1"]
["101303372","O=C1[CH-]CCCC1"]
["68352759","O=C1[CH-]CCCCC1.[Na+]"]
["161814711","C1=[Si]=[Si]=[Ge][CH-]1"]
["96989523","C=CC[B-]12O/N=C\\C=[N+]=[O+][B-](CC=C)(O/N=C\\C=N/O1)O/N=C\\C=N/O2"]
["176476720","C=CCN1C(=O)C2(CCC=NO2)N(CC=C)C(=O)C12CCC=NO2"]
["199711749","C=CC1CC(=O)N(c2nc(OC)ncc2F)C1"]
["79332156","C=CC[Si](OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F"]
["102883304","C=CC[C@H]1C[C@H]2C[C@@H]1[C@@H]1C[C@@H](O)[C@@](C)(O)C[C@@H]21"]
["126999514","C=CCN(C)Cc1nc(-c2cc(Br)cs2)no1"]
["67528084","C=CC[C@@]1(n2ccc(O)nc2=O)O[C@H](CO)[C@@H](O)[C@H]1O"]
["74373851","C=CCC1=CC[N+]=N1.CS(=O)(=O)[O-]"]
["197106319","C=CC1=C(C=C)C(CN)Cc2ccncc2O1"]
["74436717","C=CCSC1(c2ccccc2)OOC1O"]
["83176984","C=CCC1=C(N)N=CC(Br)(CC=C)N1"]
["199267657","C=CC[C@H]1C=C[C@H](O)[C@H](/C(C)=C/[C@@H](C)[C@@H](C)O)O1"]
["174645866","[B+]=N[CH-]/C=N\\N"]
["194968894","NN=CC=C(Br)Br"]
["90466908","COC(=O)c1ccc(C=NN)cc1"]
["172932173","CC(C)CC/C=N\\N"]
["174978451","NN=C(O)B(O)O.[Ni]"]
["68563664","NN=CC=NN"]
["79426003","CN(C)C([O])=NN"]
["78626657","C/C=C\\C=N/N"]
["97620517","N/N=C/C=C/[N+](=O)O"]
["157637568","N=NC=NN.N=NC=NN.O=S(=O)=O"]
["195884924","CO[NH+]([O-])/C=N\\N"]
["99297238","C[C@H](O)[C@H](O)[C@H](O)C=NN"]
["76199428","C1N=NN=[N+]1.[Cl-]"]
["43659960","C[S+]1C(C)(C)C(C)(C)C(C)(C)C1(C)C"]
["46872463","C1=[N+]=NN=N1"]
["73783865","C1=[N+]N=NC1.[Cl-]"]
["75178906","C=C1C=NC(=C)NC1"]
["172801842","C[s+]1cnnc1"]
["174376238","C1N=NN=N1.[Co]"]
["174666121","[C-]1=NCCO1.[Cl-].[Zn+2]"]
["79417167","C1=[N+]C=[NH+]C[N]1"]
["151024086","NC(=S)C1=NN=NC1"]
["174387573","C1N=NN=N1.CC(=O)O"]
["75469790","C1=[O+]N=NC1.[Cl-]"]
["168444807","[Ge+]=c1c(=[Ge+])c(=[Ge-])c(=[Ge-])c(=[Ge-])c1=[Ge+]"]
["172699060","[Na+].[O-]c1ccc[nH]1"]
["103038160","[Ge+]=c1ccc(=[Ge-])cc1"]
["103040649","[Ge+]=c1ccc(=c2ccc(=[Ge-])cc2)cc1"]
["172689225","[K+].[O-]c1ccc[nH]1"]
["190549908","C.Clc1cnco1"]
["150263820","CC=C(C)c1cnco1"]
["145702455","[Ge+]=c1ccccc1=[Ge-]"]
["185372481","[O-]c1ccc[nH]1"]
["145702456","[Ge+]=c1ccc(=[Ge-])c(=[Ge-])c1=[Ge+]"]
["176076541","C/C=C(\\C)c1cnco1"]
["176076628","C/C=C(\\C)c1cnco1.CC"]
["192265844","[AsH2]CC[AsH][As]([AsH2])[AsH2]"]
["192265843","[AsH2]CC[AsH][AsH][AsH2]"]
["175541169","CCCC[AsH2].Cl.Cl"]
["79188620","CC(CC[AsH2])N(C)C"]
["163460394","[AsH2]CN(C[AsH2])C[AsH2]"]
["50932552","C=CC[AsH2]"]
["79350406","[AsH2]CCCCCCCCCCCC[AsH2]"]
["79038998","CCC[AsH2]"]
["185224130","CCCC[N+](C)(C)OC"]
["79707173","CC[N+](=C=[N+](C)C)CCC[AsH2]"]
["79808150","CC(C)([AsH2])C[AsH2]"]
["175798706","O[AsH]CC[AsH2]"]
["182584580","[N-]=[C-][N+](Br)=ICl"]
["195908809","CCI=[N+]([C-]=[N-])CC(C)(CC)CC"]
["183774444","[N-]=N[N-][N+](N=[N+]=[N-])=ICl"]
["79749521","O=[N+]([O-])Br.[Na+]"]
["79175316","C=[C-]Cl.[Mg+2]"]
["48358854","[N-]=[C-]CC[Cl+]Cl"]
["79127862","[O][N+](=O)Br"]
["183526771","[N-]=[N+]=NCC(Cl)Br"]
["181204168","[N-]=[N+]=NCC(Cl)C(Cl)Br"]
["182369554","[N-]=[N+]=NCC(Cl)C(Cl)(Cl)Br"]
["182556710","[N-]=[N+]=NCC(Cl)C(Cl)(Br)Br"]
["182532024","[N-]=N[N-][N+](Br)=I(O)(F)Cl"]
["173699346","CCCCI(C)[B+]I([B]I(C)C)[B+]I([B+]I([B-]#I(C)C)[B-]#I(C)C)[B+]I([B-]#I(C)C)[B-]#I(C)C"]
["172651869","CCCC[Si-]=O.[K+]"]
["112251373","CCCC(C)CNCC(C)(C)CCOC"]
["64068589","CCCNCC(C)(C)CCOC"]
["25152061","CCCC[CH]CC(C)(C)C"]
["141784624","C=C[CH]/C=C(\\C=C)CCCC.CC"]
["99447134","C#CO[B]OCCCCC"]
["48883632","CCCCC(C)(CCC)CNCCC"]
["113037118","CCCCNCC(C)(C)CCO"]
["191555743","CCCCP.[CH2-]C(CC)CC.[Y]"]
["180740277","CCCC/C=C\\CI(C)N"]
["66691557","CCCC/C=C/CBr.[Br-]"]
["56068355","CN1C2[NH2+]C3C4N(C)C2N(C)C1C(N4C)[NH+]3C"]
["7913671","C[C@H]1C=C[C@H](C)[NH+]1C"]
["184096216","CC1C(C)N(C)C(C)[NH+](C)C1C"]
["26054977","CN1C2C3N(C)C1C1N(C)C(C(N1C)N3C)N2C"]
["100208744","CC=C(C)C(=O)O[C@H]1CC2C[C@H](O)CC1N2C"]
["20331202","CN1CC[C@@H]2[C@H]1C(O)=[NH+]C[C@H](CCC(=O)N1CC[NH+](C)CC1)N2C"]
["156536931","C[C@@H]1CN(C/C=C/CS)C[C@H](C)N1C"]
["162724634","CC1CN(CCC=O)CC(C)S1(=O)=O"]
["159140014","C[C@@H]1CN([C@@H](C)C=O)C[C@H](C)N1C"]
["89580806","CN1CC(CCCC=O)C1"]
["25467875","C[CH]CC(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1"]
["60463400","C/C=C(/C)C(=O)O[C@@H]1C[C@H]2C[C@@H](O)C[C@@H]1N2C"]
["170677842","OC1(O)C(O)(O)C(O)(O)[Se](O)(O)(O)(O)C(O)(O)C1(O)O"]
["61480967","CC(I)=[C-]I.[Y]"]
["98439965","CCC(OC(O)(O)O)=C(CC)OC1(O)C(O)(O)C(O)(O)C(O)(O)C1(O)O"]
["27305922","OC1(O)C(O)(O)C(O)(O)C(O)(O)C(O)(O)C1(O)O"]
["187651685","OC1(O)OO1.[La]"]
["99956238","OC1(O)OO1.[Ni].[Ni]"]
["172328856","CN1CC(F)CC(C)(O)C1"]
["79916064","OC1(O)OO1.[Ba].[Ti]"]
["167244855","CSC1(O)CC1(C)C"]
["79529684","OC1([AsH2])OO1.[Sr]"]
["174687176","OC1[C@@H](O)C(O)(O)C(O)(O)C(O)(O)[C@H]1O"]
["195409387","CC1C(O)(O)C(O)(O)C(O)(O)C1(O)O"]
["173925276","[B]1c2cccc3c2-[b-]2c4c1cccc4bc1cccc(c21)[B+]3"]
["65304397","CCC(N=C(O)C1CCN(c2cccc(Br)c2)C1=O)c1ccc(OC)cc1"]
["109704163","CC[C@@H](N=C(O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(OC)cc1"]
["177822199","CC(C)(C)[Si](C)(C)Oc1cccc([Si](C)(C)c2cccc(O[Si](C)(C)C(C)(C)C)c2)c1"]
["24999128","NC1=c2cc3cccc4c3c(c2=C(N)C(=O)C1=O)C(=O)N=C4O"]
["56915287","b1c2ccccc2cc2ccccc12"]
["173314346","[O]C#Cc1c2ccccc2bc2ccc(O)cc12"]
["168514328","[B]1C2=c3ccc4cccc5ccc(c3c54)C2=C2C1=c1ccc3cccc4ccc2c1c43"]
["109704162","CC[C@H](N=C(O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(OC)cc1"]
["60660478","b1c2ccccc2bc2ccccc12"]
["167005339","ON=C(O)C(c1ccccc1)c1cccc(-n2cc3ccccc3c2)c1"]
["50211202","[B]1c2ccccc21"]
["184856620","[Si+]=c1ccc(=c2ccc3cc2n[n-]3)cc1"]
["151857776","CC1=c2ccc(N)cc2=NC1"]
["18428134","FC(F)(F)c1ccc(Sc2n[n-]c(C(F)(F)F)n2)nc1"]
["172630575","[Si+]=c1ccc(=C2C=[C-]C(C3(c4ccccc4)c4ccccc4-c4ccccc43)C=C2)cc1"]
["55044176","CCc1cc(=C2C=CN(CC)O2)ccc1=C1C=CN=[O+]1"]
["88171937","NC(Cc1ccc2cccc(Cl)c2n1)C(=O)O"]
["78256467","[CH2-]CC(C)C[C+]=c1ccc2c(c1)[C-]=C[CH-]C=2.[Li+].[Li+]"]
["64324966","Nc1cccc(Cl)c1Cn1ccc(C(F)(F)F)n1"]
["155393342","Cc1ccc2nc(/C=C\\c3cccc(I)c3)[nH]c2c1"]
["192893825","Cc1ccc(=[Si](C)C)c(=c2ccc(=c3cc(C)ccc3=[Si](C)C)cc2)c1"]
["33256356","CC(C)(C)C#C/C=C/c1cc(-c2ccccc2)n[n-]1.[Cl-].[Cu+2]"]
["16037353","Clc1ccccc1Sc1ncnc2oc(-c3ccccc3)cc12"]
["100947263","C1=C[SiH2][GeH2]C=C1"]
["175827871","[2H][SiH]1C=CC=C1"]
["175962906","C1=C[SiH2]N[SiH2]1"]
["172809854","O=C[S+]1C=C2C=CC=C2C1"]
["175757633","C1=C[SiH2]C=C1.O=CO"]
["97163113","B1[CH]C1"]
["96905800","[SiH2]=[Si]1NC=CN1"]
["175387755","C1=COON=C1.[B]"]
["175936374","C1=C[SiH2]C=C1.[Mo]"]
["161818218","C1=C[SiH2]C=C1.[Si]"]
["97855198","C1=C[SiH2][SiH2][SiH2]1"]
["61934059","[SiH2]=c1ccc(=[SiH2])cc1"]
["149786054","BrC1=c2c3c(c4n2CC[NH+]2C1=C1CCCCC1=C2C(Br)=c1c2c(c5c(Br)c6c7c(c(n6n[n+]15)C=4Br)CCCC7)CCCC2)CCCC3"]
["116955470","Cc1ccc(CNC(=N)Nc2cccc3c2CCCC3)c(N2CCCC2)n1.I"]
["14041050","O=C(Nc1ccnn1C1CCN(C(=O)c2csc3c2CCCC3)CC1)C1CC1"]
["196818381","CC(C)(C)/C=C/B(O)O.Cc1cccc(C)c1C1=C2C3=C(CCCC3)C(/C=C/C(C)(C)C)=[N+]2[B-](F)(F)n2c(/C=C/C(C)(C)C)c3c(c21)CCCC3.Cc1cccc(C)c1C1=C2C3=C(CCCC3)C(=[I+])N2[B-](F)(F)n2c(I)c3c(c21)CCCC3"]
["66934749","C1CCC2=C(C1)CCc1c2nc2c(c1N1CCOCC1)CCCC2"]
["5239708","Brc1cncc2c1CCCC2"]
["149878880","ClC(Cl)(Cl)c1nc2c(Br)c(Br)c(Br)c3c2n1CCC3"]
["174059574","C1=C2N=C(N=C3N=C(N=C4N=C(Nc5[nH]c(c6c5CCCC6)CCC1)C1=C4CCCC1)C1=C3CCCC1)C1=C2CCCC1"]
["161458041","Cc1nc(N2CCC[C@@H](O)CC2)nc2c1CCCC2"]
["65976589","CN1NC(C2CCCCN2C)=C2CCCCN=C21"]
["80136648","CC1CNCCN1c1nc2c(Br)c(Br)c(Br)c3c2n1CCC3"]
["79248943","O=C1O/C(=C\\c2cccnc2Br)C2=C1CCCC2"]
["177048977","C/C([Te]C1=C([Te])SC(N)C(N)S1)=C1\\[Te]C2=C(SC(C)CS2)[Te]1"]
["185393253","CCOP(=S)(N=C1SCC(C)S1)OCC"]
["173021389","CC(=O)C1C(=O)CC(N)C(C)(C)C1OI.[CH3].[Tl]"]
["162147333","CC1CSC(S)=NC1(C)O"]
["90928072","CC1=[S+]CC(C)S1"]
["112640602","CC(=O)c1sc(NCC2CCOC2C)c(S(C)(=O)=O)c1N"]
["179000591","C=C1C2C(C(=C)N1C)C1C3CCC(O)CC3NC1C(N)C2C1CCC(O)CC1C"]
["62094328","CC[C@@H]1CN=C(Nc2ccc(/C(C)=N\\N=C(O)Cc3nc(C)cs3)cc2)S1"]
["97409777","CC(C)=C1C[C@@]2(C)CC[C@@H]1C(=O)C2"]
["76178726","C[C@H]1CSC(=S)S1.I"]
["64725183","CC1=NC(O)CS1"]
["104600736","C[C@@H]1CN=C(N[C@@H](C)C(=N)O)S1"]
["100278705","N#CP1(C=N)=P(F)(F)OP2(F)=P(C=N)(C2)[P+](F)(F)O[P+]1(F)F"]
["151537305","Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3[C@H]4O[C@@H]5C[C@@H]6[C@H]([C@@H](C#N)[C@@H]2[C@@H]64)[C@H]35)cc1"]
["157679939","Cc1ccnc(N[C@@H]2CC(=O)N(C)C2)c1C#N"]
["164555781","Cc1ccc(S(=O)(=O)c2oc(-c3ccccc3)c(C#N)c2C2CC2)cc1"]
["64830705","Cc1cc(C2CCC2)c(-c2n[nH]c(=N)o2)cc1C#N"]
["87258184","Cc1ccnc(NC2C3CNCC32)c1C#N"]
["87257274","Cc1ccnc(NC2CCCC2N)c1C#N"]
["198947701","Cc1ccnc(NC(c2nccn2C)C2CCOCC2)c1C#N"]
["176601831","Cc1c(Cl)cnc(NC2CCCCO2)c1C=N"]
["178343871","N#C/C(=C\\NCC(=O)O)c1nc2c(cc1C=N)=CCCC=2"]
["156598894","C[C@@H]1OCC[C@H]1NCC#N"]
["97732238","COc1ccc(C=O)c(Br)c1C1CCCC=C1O[Si](C)(C)C(C)(C)C"]
["20077295","O=S(=O)([N-][C+]([N-]c1ccc([SH+]C(F)F)cc1)c1ccccc1Cl)c1ccc[sH+]1.[H+]"]
["133889161","CCN(C(C)CS(=O)(=O)CC)S(=O)(=O)c1cc(F)ccc1Cl"]
["45459754","O=C(CCc1ncc(-c2ccccc2Cl)o1)N(Cc1ccc(F)cc1)C1CC1"]
["110025153","CCn1c(=O)n(CCC(=O)OCc2cc(Cl)c(OC(F)F)c(OC)c2)c2ccccc21"]
["106780245","CCC1=C(c2ccc(OC)cc2)C2=NC(=O)[C@H](CC(O)=Nc3ccccc3Cl)N2N1"]
["184100408","CN1C(=O)C(=CN(C)C2CCCCC2)N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc21"]
["156008823","C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCS(=O)(=O)c2cc(Cl)ccc2Cl)N1"]
["8485911","COc1ccc(S(=O)(=O)N=C([O-])[C@H]2C[C@@H]2c2ccccc2Cl)c(OC)c1"]
["143596849","O=S(=O)(Nc1ccccc1Cl)c1c(F)cc(F)cc1F"]
["191139934","CC1=C2N=C(c3ccccc3Cl)c3nc(C4CC4)ccc3NC2=NC1"]
["20241662","Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1NS(C)(=O)=O"]
["159269555","NS(=O)(=O)c1c(Cl)cc(OC(F)F)cc1Br"]
["177181009","FC1C[CH-]C(C2CCCC[N-]2)CC1.[Ir+3].[S-]C1CCCCC1PC1CCCCC1"]
["154741325","CC#CCN(C)C(O)=NC1CCC(F)C1"]
["93950036","O=C(CS(=O)c1cc(F)ccc1F)C1CCCCC1"]
["57637793","C1=CC(C2CCCC[N-]2)[N-]CC1.[Ni].c1cc[cH-]c1"]
["171253674","Cl.N[C@H](c1cc(F)cc(Br)c1O)C1CCCCC1"]
["78117710","CC1CCCC[N-]1.[Cl-].[Mg+3]"]
["51749563","FC1=[C-]C(C2CCCC[N-]2)=C=CC1F.[Ir]"]
["MCULE-8055609361","CC1CCCCC1NC1=C(c2ccc(F)cc2)C(=O)N(C2CCCCC2)C1=O"]
["172470985","COc1ccc(OC)c2c1C(C)=C(C)C2(C)C1CCCCC1PC1CCCCC1"]
["63928213","N#CC1CC(F)CN1C(=O)CNC1CCCCC1"]
["168716","C(CNC1CCCCC1)=C1CCCC1"]
["27612013","CCCc1ccc(-c2ccc(OC(C(CC)CCC)C3CCCCC3)cc2F)cc1"]
["97850790","[N-][C@@H](CC[c+]1c[n+](CCCCCC[C@H]([N-])C(=O)[OH2+])[cH+][c+](O)[c+]1C[C@H]([N-])C([O])=O)C([O])=O"]
["167126903","Br.Cc1cccc([P+](CCCCCCCCCCCC(=O)[O-])(c2cccc(C)c2)c2cccc(C)c2)c1"]
["171122464","CCCCCCCC(CCC)OC(=O)c1cc(O)c(O)c(O)c1"]
["43110124","CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC(=O)O)OC(=O)O"]
["175073867","CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC"]
["181752339","CCCC(CCCCCCCCCCCN=[N+]=[N-])OC(C)=O"]
["171372657","CCCCCCCCCCC(CCCC)OC(=O)C1(C)CCCCC1C(=O)O"]
["42307326","CCCCCCCCCCCC[C@H](O)O[P+](=O)OC(CC(=O)O)C[N+](C)(C)C"]
["175059920","O=C(O)CCCCCCCCCCCC(CC(O)CO)C(=O)O"]
["63953945","CCCC(O)CCCCCCc1ccc(C(=O)OC)cc1"]
["99669063","CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCCC)C[N+](C)(C)CC(=O)O"]
["176149076","CCCCCCCCCCCCCCCCC(F)C(CCCCCC)=S(=O)=O"]
["98246035","C[CH-]C[CH-]CCC1(C)C(C)(SSCC)CC1(CSSCC)SS(=O)CC"]
["188527963","CCSSCC12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)C3(C)CC[C@@H]12"]
["113320394","CCOC1CC(NCCSC(F)(F)F)C1(C)CC"]
["60158595","CC1(C(=O)OCC(O)=NC(O)=NCC(F)(F)F)CC1(Cl)Cl"]
["182280600","CC12CC3(C)CC(CCCCCCCCC(=O)[O-])(C1)CC(CCCCCCCCC(=O)[O-])(C2)C3"]
["MCULE-8651413353","CCOP(=O)(OCC)C12CC(S(=O)[O-])(C1)C2"]
["50391196","CCS(=O)C(F)F"]
["164339450","CC(C)C1(CNC2(C)CS(=O)(=O)C2)CC(F)(F)C1"]
["25523022","CCCC(=O)OC1C(C(=O)OCC)CC(CC)(CC)N(CC(O)CC)C1(C)C"]
["189192988","CCC1(C)CC2(C)CC(Br)(C1)CC(C)(C(=O)O)C2"]
["171403905","CCC1(C)CC(F)CS1(=O)=O"]
["45081112","CCCS(=O)C1CC(C)(C)CCC1N"]
["98137668","C=C[SiH2]O[Si]1(C=C)O[Si]2(C=C)O[Si]3(C=C)O[SiH2]O[Si]4(C=C)O[Si](C=C)(O1)O[Si](C=C)(O2)O[Si](C=C)(O3)O4"]
["34418432","C=C[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si](C=C)(O1)O[Si]1(C=C)O[Si](C=C)(O4)O[Si]4(C=C)O[Si](C=C)(O1)O[Si]1(C=C)O[Si](C=C)(O[Si](C=C)(O[Si](C=C)(O2)O1)O3)O4"]
["185606547","C=CCCO[SiH2]C=C"]
["25929102","C=C[SiH2]OCCCC"]
["79409890","C=C[Si]1(C)O[SiH2]O[Si](C)(C)O1"]
["79251933","C=C[SiH2]O[Si](C)(O)O"]
["162048687","C=C[SiH]1O[SiH](C=C)O[Si](C)(C=C)O1.C=C[Si](C)(C=C)O[Si](C)(C)C"]
["167236934","C=C[Si](C=C)(C=C)CC[Si]12O[Si]3(CC[Si](C=C)(C=C)C=C)O[Si]4(CC[Si](C=C)(C=C)C=C)O[Si](CC[Si](C=C)(C=C)C=C)(O1)[Si]1(CC[Si](C=C)(C=C)C=C)O[Si]2(CC[Si](C=C)(C=C)C=C)O[Si]3(CC[Si](C=C)(C=C)C=C)O[Si]4(CC[Si](C=C)(C=C)C=C)O1"]
["100752139","C=C[Si]1(C)O[Si](C=C)(C=C)O[Si](C=C)(C=C)O1"]
["53441817","C=C[Si]1(C=C)O[Si-]=[O+][Si](C=C)(C=C)O[Si](C=C)(C=C)O1"]
["193817264","C=C[SiH2]O[Si](C)(C)CC[SiH2]O[SiH](C)C.C=C[SiH2]O[Si](C)(C)CC[SiH2]O[Si](C)(C)C"]
["175552249","C=C[Si]1(C)O[Si](C=C)(C=C)O[Si](C=CC)(C(C)=C(C)C)O1"]
["174193572","C[c+]1c2c3c4c(c(=[As-])c(=[As-])c(S)c-4[c+]1C)C(=N)C(=N)[C+]3C([As-])=[C+]C2=[As-].[Al]"]
["161738201","[As-]=C1C=CC(=c2ccc3cc2=[N+]=N3)C=C1"]
["175483897","CC.CC1=CC(=[As-])N=C[C+]1S"]
["182236714","Cc1c(C)c(C)c(N=[N+]=[N-])c(S)c1C"]
["174287084","Cc1c2c3c4c(c(=[As-])[c+]c([As-])c4c1S)=C([NH-])C(=[NH2+])C3=C[C+](S)C2=S.[Al]"]
["175483898","CC1=CC(=[As-])N=C[C+]1S"]
["174068289","[CH2+][c+]1c(=N)c2c[c+](S)c(=[As-])c3c(C)c(S)c4c(C)c(=[As-])c(=[As-])c1c4c23"]
["75083017","OC1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=C(O)C1=N2)C(O)=C5O)C=C4)C=C3"]
["150794223","Cn1ccnc1[C@@H]1N=C(O)CC[C@H]1N"]
["114228983","OC1=NCCN1CCNc1ccc(OC(F)(F)F)c(Br)c1"]
["86246454","Cc1sc(C(=O)NN)cc1CN1C(=O)C(C)(C)N=C1O"]
["48234047","CN1C=CN(C)C1=C1C2=NC(=CC3=NC(=C(c4n(C)cc[n+]4C)c4ccc([nH]4)C=C4C=CC1=N4)C=C3)C=C2"]
["183141673","FC12C=CC(=N1)C=c1ccc([nH]1)=CC1=NC(=CC3=C(Cl)C(c4ccccc4)C(Cl)(C2)N3)C=C1"]
["168376097","OC/C(O)=C1\\C2=NC(=CC3=NC(=Cc4ccc([nH]4)C=C4C=CC1=N4)C=C3)C=C2"]
["168453973","CC(O)=C1C=C2C=C3C=CC(=N3)C=C3N=C(C=C3C#C[Si](C(C)C)(C(C)C)C(C)C)C=C3NC(=CC1=N2)CC3(C)C"]
["182217408","C1=CC2=NC1=CC1=CCC(Oc3ccccc3)(C=C3C=CC(=N3)C=c3ccc([nH]3)=C2)N1"]
["76424565","O=C1C=CC2=CC(CN3CCN(C(=O)O)CC3=O)C=CC2=N1"]
["182787535","CC(C)Oc1ccc(-c2noc(C34C=C5C=CC(=N5)C=c5ccc([nH]5)=CC5=NC(=CC(=CC3)N4)C=C5)n2)cc1Cl"]
["182121020","BrC1=C2C=C3C=CC(=N3)C=c3ccc([nH]3)=CC3=NC(=CC(C1)N2)C=C3"]
["101197154","O=[N+]1C2(CCOCC2)CC2(CC13CCOCC3)SCC1(CSC3(CC4(CCOCC4)N([O-])C4(CCOCC4)C3)SC1)CS2"]
["59151629","COC(=O)C(C)C1(O)CCOCC1"]
["107464309","O=S(=O)(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(-n2cccn2)cc1"]
["170915063","FC1(Br)CC12CCOCC2"]
["160074409","CC1N(C(=O)C2CCSC2)CCC12CCOCC2"]
["107500511","CCOC(=O)C1(C(=O)CN)CCOCC1"]
["121841361","Cn1cc(S(=O)(=O)NC2(c3cccc(F)c3)CCOCC2)cn1"]
["137861050","CC(Oc1ccc(F)cc1Cl)C(=O)N1CCSC2(CCOCC2)C1"]
["136552332","Cc1ccccc1C(O)=NC(C(=O)N1CCSC2(CCOCC2)C1)C(C)C"]
["118238377","Cc1ccc(NC(O)=NCC2(O)CCOCC2)s1"]
["144258625","O=C(c1ccccc1NCc1cccnc1)N1CCSC2(CCOCC2)C1"]
["21951087","Cc1[nH]c(C(=O)[NH2+]CC2(N3CCOCC3)CCCCC2)c(C)c1C(=O)OC(C)C"]
["70184934","CC=CN=C(O)C(C=CCSCC(C=CC)=CC)=Cc1[nH]c(C)c(C(O)=NCCN(CC)CC)c1C"]
["128585932","CCCN(CC)CCN=C(O)c1cc([N+](=O)[O-])ccc1SCC"]
["180039417","CC1=CCC(C)(CCN=C(O)c2c(C)oc3ncn(C)c(=O)c23)C=C1"]
["104502215","CCN(CC)CCC[C@H](C)N=c1[nH]c(/C=C\\c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc12"]
["MCULE-8175859409","CCN(CC)CCN=C(O)COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1"]
["MCULE-6194467363","CCN(CC)CCN=C(O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1"]
["44334801","CCN(CC)CCN=C(O)c1cc(S(=O)(=O)NC)ccc1Cl"]
["48608803","CCOc1ccc(CN=C(O)C2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC)c3C)C2)cc1"]
["MCULE-7939503313","CCN(CC)CCN=C(O)Cc1ccc(-c2ccc(F)nc2C)c(F)c1"]
["62220028","CCC(CC)C(O)=NCCCN(CC)CC"]
["MCULE-1955312410","CCN(CC)CCN=C(O)Nc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1"]
["179849552","Cc1[nH]c(C=C2C(O)=Nc3ccc(Br)cc32)c(C)c1C(O)=NCCN1CC[NH2+]CC1"]
["59582027","NP1(N)=NP(Br)(Br)=NP(Br)(Br)=N1"]
["63827973","FP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(Br)=NP(F)(F)=N1"]
["163697786","N[C@H]1CC[C@H](CBr)CC1"]
["68512294","NP1(N)=NS(=O)(Cl)=NP(N)(Cl)=N1"]
["197541105","CC1(C)[C@@H](N)[C@@H]1c1cccnc1F"]
["56436331","Cl.Cl.c1cncnc1"]
["163463402","CC1(F)C(N)C1F.Cl"]
["199475369","O=S(=O)(CBr)Nc1cccc(NS(=O)(=O)CBr)n1"]
["25993751","C[Si](C)(N)CBr"]
["185703809","N[P+]1=NP(N)(N)=NP(N)(N)=N1"]
["49771826","NN.c1cncnc1.c1cncnc1"]
["174838499","Nc1ccccc1.c1nncnn1"]
["32620699","C1Cc2nnn(n2)CCOCCn2nnnc2CCO1"]
["49486580","Cc1ccc2c(c1)C(C)(C)C1(/C=C/C=C/c3cnc(N4CCOCC4)s3)N=C(O)CCN21"]
["10725371","C[N+](C)=C(N1CCOCC1)n1n[n+]([O-])c2cc(Cl)ccc21"]
["193669910","O=C1N=C(O)CC1CC(O)=NCc1ccc(N2CCOCC2)cc1"]
["183611606","[N-]=[N+]=NOCc1ccc(CN2CCOCC2)c(F)c1"]
["99873349","Cn1ncc2c(O)nc(N3CCOCC3)nc21"]
["74660207","Ic1nc2ccc(N3CCOCC3)nc2[nH]1"]
["139869","Cc1cc(C)c(N2C(=O)CCn3c2nc(C)c3C(=O)N2CCOCC2)c(C)c1"]
["165601931","N#Cc1ccc(=NCc2ccc(Br)cc2N2CCOCC2)[nH]n1"]
["113667862","NCc1cnc(N2CCOCC2)c2ccccc12"]
["32185334","Cc1cc2c(o1)CC(C)(C)Cn1nnnc1-2"]
["78935883","Cl.Clc1ccc(-n2cc(NCCCN3CCOCC3)nn2)cc1Cl"]
["180399141","C1OS[C-]2[C-]1N1C[Br+]C2O1"]
["177047869","C[I+]OCCN1CC(C)O[C-]1[O-]"]
["162261463","CC1CN(C)OC1O"]
["179633002","C[I+]OCCCN1CCOC[C-]1[O-]"]
["164423122","CC1CCN(C(C)(C)C)O1"]
["75548783","C#CCCCOC1CN(C)C(=O)N1c1nnc(C)s1"]
["180087599","CC12NCC[Br+][C@H]1OC[C-]2[O-]"]
["111298321","CC1CN(CCC(C)(C)C)CC(CCl)O1"]
["20985601","C[C@@H]1CN(CCNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1"]
["83400514","C1CCC2CCCCC(C1)COC2"]
["43044139","CCOCCCN1CC(C(C)(C)C)NCC1C(C)(C)C"]
["174870939","CC1CN(CCCOC(=O)/C=C/C(=O)OCCCN2CC(C)OC(C)C2)CC(C)O1"]
["178821772","C=CN(C)C=C[NH2+]CCCC[N+](=C)C=CN(C)C"]
["175392967","CC(=O)O.CCCCCCCCCCCCCCCCC=CN(C)C"]
["179228116","CN(C)/C=C/CI"]
["57337777","C=CCNCCN(C)CC1CC1C"]
["24988868","C=COC(=O)N(C)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["184998695","C=CCC(C)N(C)[N+](=C)C"]
["58972303","CN(C)CCC[NH2+]/C=C1\\C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21"]
["8818274","C=CCOc1ccc(C[NH2+]CCCCC)cc1"]
["99633812","CC(=O)c1ccco1.CN(C)/C=C/Cc1ccco1"]
["179300215","CN(C)/C=C/C(C)(C)N(C)/C=C/N(C)CC(=O)O"]
["55443190","CN(C)C=CC(=[Cl+])C(=CN(C)C)C=[N+](C)C"]
["174391352","C=CCOC(=O)/C(C)=C(O)/C=C/N(C)C"]
["170488760","BrC1=C2C(=C(Br)[C@H](Br)[C@H]2Br)[C@@H](Br)[C@@H]1Br.BrC1[C@H](Br)C2=C([C@@H]1Br)[C@H](Br)C(Br)[C@@H]2Br"]
["162966415","O=C1SCC[C@@H]1Br"]
["74832680","Br[C]1CCC(Br)CC1"]
["160938035","N=C1NC=C(Br)NC1Br"]
["26862837","O=C1CCC(=O)C(Br)C1Br"]
["185160754","O=C(Cl)CC1CC(Br)C(Br)=C(Br)C1Br"]
["157796375","CC1(C)[C@@H](N)[C@@]1(C)c1ccc(Br)s1"]
["2528005","CC1(C)[C@H]2C(c3ccccc3)=C(Br)[C@H]([C@@H]2Br)[C@@H]1c1ccccc1"]
["162466177","N[C@H](c1ncc(Br)cc1O)C1CC1"]
["109395811","CC1(C)[C@H](c2ccccc2)[C@H]2C(Br)=C(c3ccccc3)[C@H]1[C@H]2Br"]
["64643046","O=C1C2CC(C2)C1Br"]
["46149562","Cc1cc(Br)c(C(N)C2CCCCCC2)s1"]
["180248034","CC#CC1(C)C(C)(C)C(C)(C)C2(C#CC)C1(C)C1(C)C(C)(C)C(C)(C#CC)C12C#CC"]
["104881251","CC#C[C@@]1(C)OCC1(C)C"]
["60615785","CC(C)(O)C#CC1(C)C(C)(C)C1(C)C"]
["84198614","CC#CC1(O)CC2CCc3cc(O)ccc3C2(CC)CC1(C)O"]
["162382895","CC#CC1(O)CCNCC1C"]
["167334785","CC#CC1(Cl)C(C)(C)C1(Cl)Cl"]
["83952200","CC#CC1(C)CCOC(C)=N1"]
["173287167","CC#CC1(C)C=CC2=C(C=C1)C(C)=NS(=O)O2"]
["187620858","CC#CC1(F)CN(CC(F)(F)F)C1"]
["162871919","CC#C[C@]1(O)[C@@H](O)CCCC1(C)C"]
["104881376","CC#C[C@@]1(O)C(=O)C(C)=C1C"]
["162595369","CC#C[C@]1(O)[C@H](O)CCCC1(C)C"]
["70318620","CC1(C)C(=O)C(C#N)C[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C#N)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]
["112216936","CC1(C#N)CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1"]
["175291023","C[C@H]1CC2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)S)[C@@]2(C)C/C(=C/O)C(=O)C=C12"]
["47946757","CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CCCc1ccccc1"]
["65873830","CC[C@H](/C=C1/C(=O)[C@]2(C)CC[C@H]1C2(C)C)C(=O)O"]
["90820800","COC1CCC2(C)C3=CC(=O)CCC3CCC2C1(C)C"]
["47265070","C[C@]12CC[C@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NCC#N)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1"]
["150713594","CCOC(=O)CC[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]
["144620332","CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)OCCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]
["70440886","C=C1C(Cl)CCC2(C)C1CCC13C(=O)C4C(CC12)C4(C)C3=O"]
["101059620","C[C@@H]1C(=O)OC2C[C@](C)(O)[C@@H]3CC[C@](C)(O)[C@@H]3C[C@@H]21"]
["197085777","COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(=O)C5(C)c5c[nH]c6ccccc56)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]
["185044325","Cln1[pH][nH][pH][nH]pn[pH][nH][pH][nH][pH]1"]
["43589101","COC(C)OCCOn1[pH][nH]pn[pH][nH][pH]1"]
["175028832","CCCCCCCCp1[nH]pn[pH][nH][pH]n1Oc1ccccc1"]
["74661964","COC(C)OC(C)On1pn[pH][nH][pH]1"]
["99742122","C=C(C)C(=O)OC(OC(=O)C(=C)C)(OC(=O)C(=C)C)C(OC(=O)C(=C)C)(OC(=O)C(=C)C)p1[nH]pn[pH][nH][pH][nH][pH][nH]p(F)[nH]1"]
["145165561","CCOn1[pH]np[nH][pH]1"]
["174926062","n1p[nH][pH][nH][pH][nH][pH]1.n1p[nH][pH][nH][pH][nH][pH][nH][pH]1"]
["78983021","n1p[nH][pH][nH][pH][nH][pH][nH][pH]1"]
["99838215","C=Cn1[pH]np[nH][pH]1"]
["192011893","C=C(C)C(=O)OC(OC(=O)C(=C)C)(OC(=O)C(=C)C)C(OC(=O)C(=C)C)(OC(=O)C(=C)C)n1[pH][nH][pH][nH]pn[pH][nH][pH][nH][pH]1.[F-]"]
["183023517","[N-]=[N+]=Nn1[pH]np[nH][pH]1"]
["175978097","c1ccc2cc3cc4cc5c(ccc6cc7cc8cccc(Op9[nH]pn[pH][nH][pH][nH]9)c8cc7cc65)cc4cc3cc2c1"]
["99622022","N=C1/C(=N/NC2=C3N=NC3SS2)SSC1N"]
["54480030","NC1COCC(N)N1NN=C1C=CN=N1"]
["137019453","N=c1nc(NN=C(O)C2CC(=O)C2)cc(Cl)[nH]1"]
["53760456","N=C(O)N=C(O)CC1SC(=NNC2=NC(=S)SCC2)N=C1O"]
["98554838","N=C1CSC2=NN(N)C(N)N12"]
["53391307","N=C1N=C/C(=N/Nc2c(Cl)cc(Cl)cc2Cl)S1"]
["100194022","N=NNC1=NC(=N)N=N1"]
["172683752","NC1N=NC(=S(=O)=O)S1"]
["93365425","CC1(C(O)=Nc2ncccc2O)COCC1N"]
["10595534","Cc1ccsc1/C=N\\NC1=CN=NC(=O)[C@@H]1Br"]
["81921941","C#Cc1ccc(NN=N)nc1N"]
["58658708","CC1=NC(=N)SC1=NNc1ccc(Cl)cc1"]
["168463132","c1sc2c3scc4[si-]c5[cH+]sc(c6s[cH+]c7[si-]c1c2c76)c5c43"]
["162675330","O=Cc1csc2c(I)cc(F)cc12"]
["162790319","N#Cc1csc2c(F)ccc(F)c12"]
["162784322","CSc1ccc(F)c2scc(Br)c12"]
["162814865","N#CCc1ccc(I)c2scc(S)c12"]
["162187024","N#Cc1ccc(F)c2scc(C=O)c12"]
["135394690","CCC(C)(CC)C(O)=NNc1nc(C(F)(F)F)cs1"]
["162614693","O=[N+]([O-])c1c(Cl)ccc2c(Cl)csc12"]
["162987765","N#Cc1ccc(S)c2c(CO)csc12"]
["162987317","Nc1ccc(Br)c2c(S)csc12"]
["173262476","CCC(C)(C)c1csc(CNC(C)(C)C)c1"]
["162843270","Nc1ccc2c(C=O)csc2c1Br"]
["197047419","C[14C]#C[14C]#C[14C]#C[14c]1c[14cH]c[14cH]c1"]
["94288717","CCC(NCc1csc(C)n1)C(C)(C)C.Cl"]
["120758218","CCC(NCc1csc(C)n1)C(C)(C)C"]
["173994161","CC(=O)ONC(C(C)=O)(C(C)=O)C(N)(C(C)=O)C(C)=O"]
["87752351","CNCc1ccc2cc(Cl)c(Cl)cc2n1"]
["47387591","Cc1nc(C(C#N)=N[O-])cs1"]
["74206605","Cc1ccccc1[C]1C(Br)=C=C(Br)C=C1S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F"]
["32297288","Cc1n[14c](C#C[14c]2[14cH][14cH][14cH][14cH][14cH]2)cs1"]
["87752047","N#CCc1ccc2cc(Cl)c(Cl)cc2n1"]
["87753006","COc1cc2ccc(CCC#N)nc2cc1Cl"]
["46834674","C[N+]1(C)C=NC=C1CO"]
["135298355","CCCn1nccc1NCc1cc(C#N)cs1"]
["167437628","FC(F)(F)C(=C1C(C(F)(C(F)(F)F)C(F)(F)F)=NN(C(F)(C(F)(F)F)C(F)(F)F)N=C1C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F"]
["73614731","C=C([O])c1ccc(C(F)(F)C(F)(F)F)cc1"]
["90644051","O=C1N=C2C=CC(F)C=C2C(C(F)(F)F)=N1"]
["83496180","O=C(Nc1cnn(Cc2ccccc2C(F)(F)F)c1)c1n[nH]c2ccccc12"]
["MCULE-8999111323","CCc1cnn(Cc2ccc(F)cc2C(F)(F)F)c1O"]
["197448106","CCn1ncc(C(=O)O)c1NC(=O)C(F)(F)F"]
["106963441","Cn1nc2ccccc2c1[C@](C)(O)C(F)(F)F"]
["6694204","O=C(OCC(O)=NCC(F)(F)F)C1=NN(c2ccccc2)C(=O)CC1"]
["19785404","CN1C([S-])=N[C@H](c2cccs2)[C@@H](C(=O)C(F)(F)F)[C@]1(O)C(F)(F)F"]
["187739771","OC(c1nc(I)cn1C1CC(F)C2CC1C2)C(F)(F)F"]
["84146460","CN1CCC(=C(C(F)(F)F)C(F)(F)F)CC1"]
["156842182","CCc1nc([C@@](C)(N)C(F)(F)F)cs1"]
["167390932","OC(C1=C=C[C+]=CC1)=C(O)C1=[C-]C=[C-]C[CH+]1.[Y].[Y]"]
["180182820","C.COC1=[N+]2[N-]C(c3ccccc3)=C(C3=[C-]CCCC3)[C-]2[N-]C(Cl)=C1C1=C=C[C+]=CC1.[U+2]"]
["74579241","O[N]C1=C=CC=C(Br)C1"]
["87133157","Cc1ncoc1C(O)=NCC(C)CO"]
["134902457","OC(=NCCc1ccc(Cl)cc1)N1CCC(C2OCCO2)CC1"]
["62316869","OC1=[C-]C=CC[CH+]1.[W]"]
["126774470","CC(C)C(O)=N[C@H](C)c1cc(Cl)ccc1Cl"]
["126812390","CC(NC1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1O"]
["197800205","CC(C)C(C)c1cc(N2CCC(C3OCCO3)CC2)no1.O=CO"]
["166441399","[CH-]=C(C=O)C1=C=CCC=[C+]1.[In+].[NH2-]"]
["197934101","OC(=N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)c1ocnc1-c1ccccc1"]
["173456591","[CH-]=CC1=C=CCC=[C+]1.[Tl]"]
["184395086","[B]1CN2CB3CN[B]C4C5[B]NCB6CN7C[B]NC8B7C(C(B2C8N1)N34)N65"]
["178500603","[B]1CB2C3NB(N4CC14)N23"]
["158427045","Cn1ncc2c1C[C@@H](C(=O)N=c1nc[nH]n1C)CC2"]
["158427038","Cn1ncc2c1C[C@H](C(=O)N=c1nc[nH]n1C)CC2"]
["19619703","C[C@@H]1CN(c2ccc(N=C(O)c3[nH]c4ccccc4c3Cl)c[nH+]2)C[C@H](C)O1"]
["26883405","[CH2]C([CH2+])(C=[O+]C(N(F)F)(N(F)F)N(F)F)C(ON([O-])[O-])(OC(N(F)F)(N(F)F)N(F)F)OC(N(F)F)(N(F)F)N(F)F"]
["194680783","CN=CC(=CN)OC1CCC(C(F)(F)F)CC1"]
["195675417","CN([O-])OC(C)(C)C"]
["101308200","C=CC(C)=C1C=C(N([O])[O-])C=CC1=[O+]C(F)(F)F"]
["179626856","N#CC(ON([O-])[O-])(C(=O)[O-])N(Br)[I+]Cl"]
["79186967","C=[O+]c1cc(N([O])[O-])c(C(=O)/C=C/N(C)C)cc1OC"]
["195784506","CCON([O-])C/C=C(/CC)N=C(O)C1CCC(C(F)(F)F)CC1"]
["177024791","[CH2+]CN1CCN(CC(C)(C)C(C)(C)ON([O-])[O-])CC1.[Y].[Y]"]
["26896049","C=COC(CCF)C(F)(F)C(F)F"]
["78317960","N.[O-][Cl+3]([O-])([O-])OCCOC(N(F)F)(N(F)F)N(F)F"]
["182885749","N#CC(O)(ON(F)F)[N+](=O)[O-]"]
["99702278","CC(N)OC(N(F)F)(N(F)F)N(F)F"]
["180966424","C=[C-]C1C(C)C([CH-]C)C(Br)C(C2C(Br)C(C)C(C)C([I+]C)C2Br)C1Br"]
["108178629","C[C@@H]1C(Br)[C@H]1C"]
["180093304","CC1C(C)C(Br)C(C2C(Br)C(C)C(C)C(C)C2I)C(Br)C1C"]
["108178630","C[C@H]1C(Br)[C@@H]1C"]
["109355473","C[C@@H]1[C@H](C)[C@H](C)C[C@H](Br)[C@@H]1Br"]
["167325383","C=[C-]C1C(C)C(C)C(C)C1C.[Li+]"]
["196000945","C=[C-]CI1C(N=C)C([I+]C)C1[N-]C"]
["180315669","C=C1C2CC3CC2C(C3C)C2CC12"]
["173021663","C=[C-]C1CCCCC1C(=C)C.[K+]"]
["178564171","CC1C(C)C(Br)C(C2C(Br)C(C)C(C)C(CI)C2Br)C(Br)C1C"]
["63516142","CC1C(Br)C1C1C(C)C1Br"]
["91205034","CC1C2CCC1C1C(Br)C21"]
["187504791","[K+].c1c[p-]pp1"]
["79860465","C1=[SiH]C[SiH2]1"]
["102992002","FC(=NC(F)(F)C(F)(F)Br)C(F)(F)F"]
["79393614","c1cpp[nH]1"]
["168752593","c1cpc2pccpc2p1"]
["176001141","[Ca+2].c1c[p-][cH-]1"]
["96988215","F/C(=N\\C(F)(F)C(F)(F)Br)C(F)(F)F"]
["60955155","c1cc[p-]c1"]
["172778421","NCc1c(Cl)ccc(Cl)c1-c1ncccc1C=S"]
["97048611","[c]1ccc[p-]1"]
["96832825","c1c[p-]cp1"]
["167429249","c1ppc[se]1"]
["178210935","C[CH-]NC.[B+]=C1[C-]=C(NP(C)(=O)NC)[C-](C)O1.[U+2]"]
["42673127","CP(C)(=O)Nc1ccc([N+](=O)[O-])cc1"]
["49120187","CNP(=O)(OC)SC"]
["178488795","C[CH-]C(=O)[C-]1C=CC(Cl)=CC1=CNCCN(CC)CC.[U+2]"]
["192596534","[B+]=C1CC[C-]1NC"]
["174615372","CCCOCC(=O)C(C)NP(C)(=O)NC"]
["198090813","CC(O)c1cc(C(=O)N[C@@H](C)C(=O)O)n[nH]1"]
["175928613","CP(C)(=O)c1cccc([S-])c1Cl.[K+]"]
["171304657","C[CH-]C.O=P([O-])([O-])[O-].[Ti+4]"]
["174422579","CNP(N)(=O)Oc1ccc(/C=N/N)cc1"]
["185207807","CNP(=O)(N=C(C)O)NC"]
["113074931","CC(C)(O)C(C)(C)NC(=O)c1ccc(Cl)nn1"]
["79043976","OC(O)CCCCC(CCCCC(O)O)CCC(CCCCC(O)O)(CCCCC(O)O)CCCCC(O)O"]
["199891180","CCCCC(CC)CCC(C)(CC)OOOC(=O)O"]
["173582725","CC(=O)CCCCCC(CC(C)=O)(CC(C)=O)CC(C)=O"]
["174488123","CCCCCC(N)C(CCCCC)(CC(O)CO)OP(=O)(O)O"]
["97667233","C=C(C)C(O)CCC(C)(/C=C/CCC)CCO"]
["111396765","COC(=O)C(O)CCC(C)(C)OC"]
["79188029","CCCCCCCCCCCCCCC(CO)CCCCCCCCCC(CCO)CCCCCCCC.CCCCO"]
["189899697","CC(C)CCCCCC(O)CC(C)(C)C"]
["76099516","CCCCCC(CC)CCC(C=O)(C1CCCCC1)C1CCCCC1"]
["80453019","CC(=C\\C(=O)O)/C=C(\\C)CC(CO)CCCCC(O)C(CO)C(=O)O"]
["174908525","CCCC(CC)CCCC(C)(C)O"]
["113571104","OCCCC(O)Cc1ccoc1"]
["199868222","[B][B-](=[B])P([B-]([B])=[B])P(C(P([B-]([B])=[B])P(=[B])=[B])P(P(=[B])=[B])P(=[B])=[B+])P(=[B+])=[B+]"]
["170933844","[B][B-](=[B])P([B-](=[B])[B+])[B-]([B+])=[B+]"]
["199180664","[B][B-](=[B])P(#B)[B-]([B+])=[B+]"]
["43296883","[2H]C(P(P)P)(P(P)P)P(P(P)P)P(P)P"]
["171894547","[B][B-](=[B])P(=[B])=[B+]"]
["194571452","[B][B-](=[B])[B-2]([B-]#B)[B-]([B])=[B]"]
["199868221","[B][B-](=[B])P([B-]([B])=[B])P([C-](P([B-]([B])=[B])P(=[B])=[B])P(P(=[B])=[B])P(=[B])=[B+])P(=[B+])=[B+].[Y]"]
["171432127","[B]C(P)P(=[B])=[B]"]
["53460299","[B]=P(=[B])C([B-]#B)P(=[B])=[B+]"]
["199798016","[2H]C(P(P)P)(P(P)P)P(P)P"]
["199868218","B#P(P)C(P(P)P)P(P)P"]
["67706599","C1CC[SiH2]C([Si-]2CCCC[Si+]([Si]3([Si]4CCCC[Si](C5CCC[SiH2]C(C6CC[SiH2]CCCC[SiH2]C6)CCC[SiH2]5)(C5CCC[SiH2]C(C6CC[SiH2]CC(C7CC[SiH2]C7)(C7CC[SiH2]C7)CC[SiH2]C6)(C6CC[SiH2]CC(C7CC[SiH2]C7)(C7CC[SiH2]C7)CC[SiH2]C6)CCC[SiH2]5)CCCC4)CCCC3)CCCC2)CCC[SiH2]C1"]
["173138938","C[C@H]1C(O)CC[C@@]2(C)C1CCC1Cc3c([nH]c4cc5c(cc34)C3=CC(C)(C)OC(C)(C)C3C5)[C@@]12C"]
["96928774","[N-]CCC[O+]=C1C=C2Cc3cc(=[O+]CCC[N-])[c+]([cH+]c3=[O+]CCC[N-])C[C+]3[CH+]C(=[O+]CCC[N-])[C+]([CH+]C3=[O+]CCC[N-])C[C+]3[CH+]C(=[O+]CCC[N-])[C+]([CH+]C3=[O+]CCC[N-])CC3=CC(=[O+]CCC[N-])C(=CC3=[O+]CCC[N-])CC1=CC2=[O+]CCC[N-]"]
["96922763","CC1=C([N+](=O)O)C(=[O+]CCC[N-])[CH+]C=C1"]
["97669202","COC(=O)/C=C/c1cc(=[O+]CCC[N-])c(=[O+]CCC[N-])[cH+][cH+]1"]
["85836117","CCCCCC(C)(C)CNCc1cc(OC)ccc1O"]
["173855844","COCCC[O+]=C1C=C2C[C@@H](C(C)(C)C)n3cc(C(=O)O)c(=O)cc3C2=C/C1=C1\\N=NC(C(F)(F)F)=[O+]1"]
["96513602","CC1=CC(=[O+]CCC[N-])[C+]([N+](=O)O)C=C1"]
["97740827","CCCCC[O+]=C1C2=CC(=[N-])C=C1CC1=CC(=[N-])C=C(C[C+]3[CH+]C(=[N-])[CH+][C+](CC4=CC(=[N-])C=C(C2)C4=[O+]CCCCC)C3=[O+]CCCCC)C1=[O+]CCCCC"]
["97246130","CCCCCCCCCCCC[O+]=c1[cH+][c+](C[N-])c(=[O+]CCCCCCCCCCCC)cc1C[N-]"]
["97078606","COC(=O)[C+]1[CH+]C(=[O+]CCC[N-])C(=[O+]CCC[N-])C(=[O+]CCC[N-])[CH+]1"]
["96794868","[N-]CCC[O+]=C1C=C2[NH+]=c3c1cccc3=NC(=O)C1=CC(=[O+]CCC[N-])c3cccc(c3=[NH+]1)=NC(=O)C1=CC(=[O+]CCC[N-])c3cccc(c3=[NH+]1)=NC2=O"]
["180593045","COCCC[O+]=C1C=C2CC(C(C)C)n3cc(C(=O)O)c(=O)cc3C2=CC1=C1C=N[N+](C)=C1"]
["25941059","CCCCOC1C=C(N(CC)CC)C(=[O+]CCCC)C=C1N=[N-]"]
["78172394","O=C=NCCC(N=C=O)C(N=C=O)C(CC(CN=C=O)N=C=O)N=C=O"]
["172827177","CC[Si](CC)(N=C=O)C(C)CCCN=C=O"]
["42379704","CC(N=C=O)OC(=O)C(CCCCN=C=O)N=C=O"]
["53865255","O=C=NCCOC1CCCC1"]
["182176064","CCCCOOC(N=C=O)C(C)C"]
["175170484","O=C=NC([SiH3])C(N=C=O)N=C=O"]
["79877949","CC(CCCCN=C=O)C(C)(C)N=C=O.CCC(CN=C=O)N=C=O"]
["160456328","CCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCN=C=O)(OCC)OCC"]
["62492106","O=C=NCCCCC(CN=C=O)(N=C=O)C(=O)O"]
["79736034","CC(C)[CH]CN=C=O"]
["177162550","COCCCOc1cc(C[C@@H](C[C@H](N=C=O)[C@H](C[C@H](C=O)C(C)C)OP)C(C)C)ccc1OC"]
["175737146","CC(CC(C)(C)[Si])N=C=O"]
["101696863","CC(=C1C=CC(=[F+])C=C1)C1=C2C=COC=C2CC1"]
["105057224","CC1(C[C@H](N)c2cccs2)OCCO1"]
["179744498","C[NH+]=C1C=CC(=C(O)OC)C=C1"]
["29724971","CC1(C)SC2C(N=C(O)C(C(=O)O)C3=C4C=COC=C4CC3)C(=O)N2C1C(=O)O"]
["42147046","ICCC1=C(C2=COC=CO2)CCC=C1"]
["91412347","CC(C)=C1C=C[C+]([N+](=O)[O-])C=C1"]
["174748032","O=C(O)C1=CC2=COC=CC2=C[C@H]1C(F)(F)F"]
["179264635","CCCC(O)(CCC)CCC1=CC(CCCN)=CCC1"]
["162435718","CC(C)(C)CC(O)C1=COCC1"]
["27789718","Cn1ncc(N=C(O)c2csc(C3=C4C=COC=C4CC3)n2)c1C(N)=O"]
["62266582","C[P+]([O-])=C1C(C2CC2)=Nc2ccccc2C1=C1C=CC(=[F+])C=C1"]
["31357705","CCCC1(CC(=O)O)OCCc2c1[nH]c1c(C)ccc([N+](=O)[O-])c21"]
["179044693","CC1(F)c2c(c(F)c(B3OC(C)(C)C(C)(C)O3)c3n[te]nc23)-c2n[te]nc2C1B1OC(C)(C)C(C)(C)O1"]
["33998099","CC1(C)OB(c2ccc(F)c(C3CC3)c2)OC1(C)C"]
["22990072","CC1(C)OB(c2cnc(F)cn2)OC1(C)C"]
["159412046","CC1(C)OB(c2cccc3c2cc2c4cc(F)cc(F)c4[nH]c(=O)n32)OC1(C)C"]
["175418761","Cc1c(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c2c1CC=C(Nc1ccc(-c3ccccc3)cc1)C2C"]
["100390256","CC1(C)OB(c2cnc(Oc3cc(Cl)cc(Cl)c3)c(C=O)c2)OC1(C)C"]
["197109096","CCCCCCn1nc(C)c(B2OC(C)(C)C(C)(C)O2)c1C"]
["171071264","Cc1sc2c(c1C)C(c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)=N[C@@H](Cc1ncco1)c1nnc(C)n1-2"]
["79272806","CCOc1c(F)ccc(C=O)c1B1OC(C)(C)C(C)(C)O1"]
["165795483","Cc1cccc2cc(B3OC(C)(C)C(C)(C)O3)cnc12"]
["180721144","CN(C)CNC1=NC=C(B2OC(C)(C)C(C)(C)O2)[C@H]2C(CC(C)(F)F)=C12"]
["164167500","CC1(C)OB(c2c(-c3ccc(F)cc3)nn(SF)c2C2CC2)OC1(C)C"]
["83923618","CO[C@]12O[Si]3(OC)O[Si@]4(OC)OC35O[Si]36OC(C)(O4)[Si@@](OC)(O3)O[Si]3(OC)O[Si@@]4(OC)O[C@@]63O[Si]51O[Si@@]2(OC)O4"]
["52917836","CO[Si]1(OC)CC(C)(C)O[Si](c2ccccc2)(c2ccccc2)[Si]1(OC)c1ccccc1"]
["174057921","COC1(C)C[Si](C)(OC)[Si](OC)(OC)[Si](C)(OC)O1"]
["164981539","COc1ccc2c(c1)-c1c(ssc1=Nc1ccc(Oc3ccc(Cl)cc3)cc1)C(C)(C)N2C(=O)c1ccc(Cl)c(Cl)c1"]
["62490472","COC1=C([O+]=[Si-])C=C(C)C(C)(OC)C1(C)C"]
["199266139","COc1ccc(F)c(C2=NC(C)C(S)=Nc3ccc(Cl)c(Cl)c32)c1"]
["175578748","COc1ccc(F)c(C2=NC(C)C3=NC=CCN3c3ccc(Cl)c(Cl)c32)c1"]
["100813420","C=CC1C(C=C)(C=C)O[Si](OC)(OC)[Si](OC)(OC)[Si]1(OC)OC"]
["62609193","CCC1(O)[Si]2(O)OC34O[Si](O)(CC)O[Si]3(CC)C3(CC)O[Si]5(CC)O[Si]6(CC)OC2(O[Si]34O5)[Si]1(CC)O6"]
["169683407","CCC/C=C1/C(OC)=CC(=O)OC12Cc1oc(=O)cc(OC)c1C(CCC)C2"]
["194003173","CC1CC(C)(C)O[Si]2(O1)OC(C)CC(C)(C)O2.CO[Si](OC)(OC)OC.P=S"]
["189252469","CNC(=O)c1cc(N=C(O)C2CC(OC)(C(F)(F)F)C2)c2n1CC(O)=NC2c1cc(F)ccc1Cl"]
["62915829","Cl[SiH](Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[SiH](Cl)Cl"]
["160342856","C[SiH](Cl)Cl.P"]
["161850510","CP(C)C(P(C)C)[Si](Cl)(Cl)C(P(C)C)P(C)C"]
["170661326","O=C[Si](Cl)(Cl)Cl"]
["78106015","C[Si](Cl)(Cl)Cl.Cl[SiH](Cl)Cl"]
["78251093","[O-][Si]([O-])([O-])Cl.[Pt+3]"]
["78609024","CF.Cl[SiH](Cl)Cl"]
["78289518","Cl[Si](Cl)(Br)[Si](Cl)(Br)Br"]
["185382482","Cl[SiH](Cl)[SiH2][SiH](Cl)Cl"]
["193857308","Cl[Si](Cl)(Cl)[SiH]([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl.[SiH3][SiH]([SiH3])[Si](Cl)(Cl)Cl"]
["24924269","C[Si](C)(Cl)O[C]=O"]
["157371183","CCCC[Si](Cl)(CCCC)CCCC.CC[SiH](C)Cl"]
["52345720","C1[Si+]2C[Si-]3C[Si+]1C[Si-](C2)C3"]
["79608666","CS(=O)(=O)N[C@@H](CC(=N)O)C(=N)O"]
["168133764","CC(C)(C)[Si]1C[Si+](C(C)(C)C)C[Si-](C(C)(C)C)C1"]
["180330807","C[C@H]1CC=C1S(N)(=O)=O"]
["53868136","C[Si+]1C[Si+](C)C[Si-](C)C[Si-](C)C1"]
["195170212","CCC[Si-]1C[Si+](Br)C1"]
["100194881","C1C[Si-]2CC[Si+]1C2"]
["168509069","O[Si+]1C[Si-](O)C1"]
["189898757","N=IC1CC(F)C1"]
["195275040","CC[Si-]1C[Si+](Br)C1"]
["26496190","CS(=O)(=O)NC(CC(=N)O)C(=N)O"]
["62793893","O=S(=O)(Cl)C1(Br)CC1"]
["58956400","[C-]1=[O+]C[PH2+]C1.[Rh+2]"]
["74726683","ClC1=CC[C-]=[O+]1"]
["74690245","[C-]1=[O+]CCCCCC1"]
["24912079","[C-]1=[O+]CCNC1"]
["26041883","[C-]1=[O+]CCC=CC1"]
["26259006","ClC1[C-]=[O+]CCC1"]
["79022186","[C-]1=[O+]CC=CN1"]
["25793016","BrC1[C-]=[O+]CCC1"]
["172808509","S=S1(S)(S)C=CCS1"]
["96638820","[C-]1=[S]C1"]
["25607498","[C-]1=[O+]CCCN1"]
["183148327","[C-]1=[O+]CCN1.[Fe]"]
["173486731","[B+]=C=[C-]PC#C"]
["27049412","C#CC[CH]CC#C"]
["97634700","C#C/C=C/C=C=C=C"]
["79166923","C#C[SiH2]N"]
["173225149","C#CC=O.[H-].[Na+]"]
["100242221","C#CN(C=C)C=O"]
["97561515","[B+]=C[C-]=N"]
["79161979","C#CC(=O)C(=O)C=C"]
["175338895","C#C[PH2+]C#C"]
["172107559","C#CCC(N)C=C"]
["79754052","C#C[O-].[Pt+]"]
["179434158","C#CNP"]
["192592231","[B]=[B-]([BH3-])B([B+][BH3-])B([BH3-])[BH3-]"]
["52295242","[B]=[B-]([B+])B(B=S)B=S"]
["190303835","[B][B-](=[B])[B-](=[B+])[B+][BH3-]"]
["199754134","[B][B-](=[B])C(B([B-]([B+])=[B+])[B-]([B+])=[B+])[B-]([B])=[B]"]
["192625476","[B][B-](=[B])B([B-](=[B])[B+])[B-](=[B+])[B+][BH3-]"]
["190471601","[B]=[B-]([BH3-])B(B([B-]([B+])=[B+])[B-](=B[BH3-])B([BH3-])[BH3-])[B-]([B+])=[B+]"]
["67336137","[B][B-](=[B])[B+][B-](=[B])[B+]"]
["190303836","[B]=[B-]([BH3-])[B-](=[B+])[B+][BH3-]"]
["191671993","[B]=[B-]([B+][BH3-])B([BH3-])[BH3-]"]
["193061512","[B]=[B-]([B+])[B-]([B-](=[B])[BH3-])=[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])[B-]([B+])=[B+]"]
["172053628","[B][B-](=[B])[B-](=[B])[B-]#B"]
["194217560","[Ag+].[B]=[B-]([B+][BH3-])c1c(F)c(F)c(F)c(F)c1F"]
["161850816","CC(C)(C)[Si-](=[Si]=[O+][Si+]=[Si-](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["168488998","CC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)[Si](Cl)(Br)[Si+]=[Si-](C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["97238607","CC(C)=C/C=C\\C(C)(C)C"]
["177125970","C#COC(C)(C)S"]
["175209141","[B]C(C)(C)N=[CH-].[Y]"]
["178898989","C[NH2+]C(C)(C)CC(C)(C)S"]
["97285117","[C]C(C)(C)[Si-](C)(=[Si]=[Si-](C)(C)C(C)(C)C)C(C)(C)C"]
["185374531","C=[Si-](C)(C)C(C)(C)C.C=[Si-](C)(C)C(C)(C)C.[Mg+2]"]
["108500295","CC[C@@H]([C@H](N)C(C)(C)C)S(=O)(=O)CC"]
["25708674","CNC(=O)[CH]C(C)(C)C(=N)O"]
["99343238","CC(C)(C)[Si+]=[Si-](C)(C)N[Si-](C)(C)=[Si+]C(C)(C)C"]
["172080792","CC(Cl)(Cl)[Si+]=[Si-](C)(Cl)Cl"]
["73923199","S[C]1C(S)=C=C(S)C(S)=C1S"]
["57824694","C[C]1C=CC(S)=C=C1C.[Hg]"]
["25957454","S[C]1C(S)=C=CC(S)=C1S"]
["171689112","S[C]1C(S)=C=CC(S)=C1S.[Al]"]
["161691099","O=C(O)C1=C(S)C(S)=C(S)/C1=C\\S"]
["177034918","NC=C1[N-]C(=C=[N+]=[As-])C(S)=C=C1O.[Ag+].[Ag+]"]
["75235355","S[C]1OC(S)C(S)=C=C1S"]
["75611050","S[C]1C(S)=C=C(c2nccs2)C(S)=C1S"]
["185479525","FC1(F)[C]=C(Cl)C1(F)F.FC1(F)[C]=C(Cl)C1(F)F.[Hg]"]
["73536191","CC1[C]=C(S)C(S)=C(C(S)S)O1"]
["53138281","FC1(F)c2cc3c(cc2C1(F)F)C(F)(F)C3(F)F"]
["171243510","COc1oc(OC)c(OC)c1S"]
["99499795","O=[P+](OCC[As])OCC[As]"]
["177854227","C#CCO[P+](=O)OCC(=C)C"]
["61932551","O=[P+](OCCOCc1cccc(CO)c1)OCCOCc1cccc(CO)c1"]
["184317528","N=C(O)NC[P+](=O)OCC(O)CCl"]
["56977203","CC(C)C[C@@H](C(=O)O[P+](=O)OC(=O)[C@H](CC(C)C)N(Cl)Cl)N(Cl)Cl"]
["47138097","CCC(C)c1cc(C=CC(=O)CO[P+](=O)OCC(=O)C=Cc2cc(C(C)CC)c(O)c(C(C)CC)c2)cc(C(C)CC)c1O"]
["99240722","CCCCCO[P+](=O)CCCC"]
["69641532","C[P+](=O)CN.[Y]"]
["172742696","C[Si](C)(C)OO[Si](=O)OO[Si](C)(C)C[Si]O"]
["173328245","CCO[P+](=O)C(OC=O)[P+](=O)OCC"]
["184519088","CCCN[P+](=O)OCC"]
["51535740","O=[P+](OCc1cccc2c1[nH]c1ccccc12)OCc1cccc2c1[nH]c1ccccc12"]
["170466529","[Se]=P12[Se]p3[se]p(p1[se]3)[Se]2"]
["170596785","[Se]=P1([Se-])[Se][P+]2([Se]P1(=[Se])[Se-])[Se]P(=[Se])([Se-])P(=[Se])([Se-])[Se]2"]
["170560728","[Se]=P1([Se-])[Se]P2[Se]P(=[Se])([Se-])P(=[Se])([Se-])[Se]P2[Se]P1(=[Se])[Se-]"]
["161667022","[Se]=P12[Se]P3(=[Se])[Se]P(=[Se])([Se]1)[Se]P(=[Se])([Se]2)[Se]3"]
["55420565","CC1(N)P(=[Se])([Se-])[Se]P1(=[Se])[Se-]"]
["96805928","CP1(=[Se])[Se][Se]P(C)(=[Se])[Se]1"]
["52109665","[Se]=P1([Se-])[Se][Se]P(=[Se])([Se-])[Se][Se]1"]
["170550083","[Se]=P1([Se-])[Se][As-]234([Se]P(=[Se])([Se-])P(=[Se])([Se]2)[Se]3)[Se]P1(=[Se])[Se]4"]
["63862212","CC12CP3[Se]P(=[Se])(C1)[Se]P(=[Se])(C2)[Se]3"]
["170596787","[Se]=P1([Se-])[Se]P(P2[Se]P(=[Se])([Se-])P(=[Se])([Se-])[Se]2)[Se]P1(=[Se])[Se-]"]
["97361534","CP1(=[Se])[Se]P(C)(=[Se])[Se]1"]
["164728464","B1C=[BH-]C2=C1BCB2"]
["27129209","N=C1CCc2c(ncc3cc(N)cc(O)c23)C1"]
["157829142","Cc1nc([C@]2(N)C[C@@H](C)[C@@H]2C)no1"]
["94141003","N#Cc1cc(N)cnc1OC1COC1"]
["195848292","Nc1c(N)c(N)c2c(c1N)CC(=O)C2"]
["158087755","CC1(c2ncc(N)cn2)CCCC1"]
["157829147","Cc1nc([C@]2(N)C[C@H](C)[C@@H]2C)no1"]
["76041820","CCC1=C[N]C(=C2CC2)C=C1"]
["86597908","COCC(N)c1nc(C2(c3ccccc3)CC2)no1"]
["91612277","Nc1cnc2[c]cccc2c1"]
["199522001","Cc1nc(N2CC(=O)CC2=O)ccc1I"]
["90196454","CC(C)(N)c1ccc(F)c(C#N)c1"]
["195284294","C1CONOCCNONCON1"]
["144790775","C1CCC(C2NCCO2)C1"]
["91098904","C1CO[Ge-]=[O+]CCN1"]
["173103133","O=C(C1CNCCN1)C1CNCCO1"]
["197750924","O=C(OC1NCCO1)C(=O)OC1NCCO1"]
["172653406","OC(=Nc1nccs1)[C@@H]1COCCN1"]
["175233136","COCCC(=O)C1CNCCO1"]
["54302751","C1CC2=C(CCOC2)N1"]
["190609024","C1CNCOC1.O=NO"]
["182843292","[CH-]1CCON1"]
["43222486","C1NOCS1"]
["162443992","COc1ccc(C(=O)C2COCCN2)s1"]
["168467865","C1CC[Ge-]2CCCC[Ge+](C1)CCCC2"]
["33200636","C(C#CC1CC1)#CC1CC1"]
["96930078","C1C[N+]CC[N+]C1"]
["91020700","C(C#CC1CCCC1)#CC1CCCC1"]
["68636457","CC1=C(C(O)C(Cl)(Cl)Cl)CCCC1"]
["91205000","C1[Ge+]2C[Ge-]3C[Ge+]1C[Ge-](C2)C3"]
["81833501","C(C#CC1CC1)#CC1CCC1"]
["187985757","CC(C)C1CCCC(F)(F)[C@@H]1N"]
["91471248","C1C[Ge+]2CCC[Ge-](C1)CCC2"]
["100594520","CC(C)[C@@H]1CCCC(F)(F)[C@@H]1N"]
["178860325","CC1C[N+]2(C)C3C(C)(C)C132"]
["32807783","C[Ge+]1CCCCCC[Ge-](C)CCCCCC1"]
["192839373","C.[SiH3]CC[SiH2]CCCB(Cl)Cl"]
["79027119","CC[SiH2]CCCC(N(C)C)N(C)C"]
["179168610","[SiH3]CCC[Si]1(CCC[SiH2]CCCBr)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1"]
["25032139","C[SiH2]CCCC[SiH3].C[SiH](C)O"]
["185263317","CC[SiH2]CCCCCCCCS[SiH2]CC"]
["79568207","CCCC[SiH2]C[SiH2]CCCC"]
["183693611","[N-]=[N+]=NCCSCCC[SiH3]"]
["47859621","NCCCCC[SiH3]"]
["100354781","Cc1ccc(C)n1[SiH2]CC[SiH3]"]
["185440539","CCCCSB(Cl)SCCCC"]
["185511588","CCCCC[SiH2]CC(Cl)Cl"]
["98921288","CC[SiH2]CCCC[SiH3]"]
["97827151","O=CC1=C(C=O)SC(=C/C=C/C=C2SC(C=O)=C(C=O)S2)S1"]
["179894209","O=CC1=CSC=CC1"]
["145584803","O=Cc1nc(Br)c(I)cc1C(F)F"]
["74722186","O=CCOC1=CC=C(Cl)CC1"]
["27085955","O=CC1=CCC2CC1C2"]
["79226976","C[As](C)c1ccccc1C=O"]
["23827394","CCN(CC)Cc1csc(C=O)c1"]
["163511765","N.O=Cc1ncc[nH]1"]
["21429646","Cn1c[nH+]c(C=O)c1"]
["165836954","CC1C/C(=C\\C=O)[Si](C)(C)O1"]
["43261007","N.N.O=Cc1ccccc1"]
["200560344","NCCC#Cc1csc(C=O)c1"]
["99659035","S[c+]1[n-][cH+][n-][n-]1.[Ag+]"]
["178855798","SI=c1cc[n-][cH+][n-]1"]
["174634694","S[c+]1[n-]nn[n-]1.[Au+]"]
["99648907","Sc1cccc(-[c+]2[n-][cH+][n-][n-]2)c1.[Ag+]"]
["99689282","N[c+]1[n-][cH+][n-][n-]1.[Ag+].[Br-]"]
["174248177","N[c+]1[n-][c-]c2[n-][cH+][n-][c+]2[n-]1.[Rb+].[W]"]
["100855317","O=C[C+]1[N-]C=C[NH2+]1"]
["175195617","N[c+]1[n-][cH+][n-][n-]1.[Zn]"]
["184548750","CI=c1[n-][n-][c+](S)[n-]1"]
["99686047","N[c+]1[n-][cH+][n-][n-]1.[Ag+]"]
["99659028","S[c+]1[n-]nn[n-]1.[Ag+]"]
["99652491","S[c+]1[n-]nn[n-]1.[Ag].[c-]1ccccc1"]
["150019042","O=S1O[B-](F)(F)O[S+](#[O+])C1(F)F"]
["185392159","O=C1OCC2(CO1)COS(=O)OC2"]
["199055544","CN=C(O)CS(=O)(=O)Cc1ccc(C2(F)COC2)cc1"]
["196432842","O=CC1(CC2CC2(F)F)CC2CCC1O2"]
["196879371","O=S1C(F)(F)C(F)(F)C1(O)Cl"]
["167557666","O=C1O[B-](F)(C(F)(F)F)OC1=O"]
["43877205","O=S1OS(=O)(=O)C(F)(F)S(=O)(=O)O1"]
["171885039","O=C1OCC(F)(Cl)O1"]
["73584979","O=S1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["190710072","COP1(=O)OC(C)(F)C(F)(F)C(F)(F)O1"]
["64098714","O=S1N=[S-](=O)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["167437234","O=S1C(F)(Cl)S(=O)C1(F)Cl"]
["179787294","I.IC(I)CN[C@@H](I)C[I-]C1[I-]I1I.[I-]"]
["163591043","CCC[C@H](I)CNCNC"]
["184552845","COC1=CCC(CNC[C@@H](C)I)C(OC)=C1"]
["178731371","CCC(I)[C@H](C)CC[I-]C1[I-]CC[I-]1"]
["78471768","[CH2]C(N)NCC(N)NC(CNC=C)NC=C"]
["112769626","CSC1CCC(NCC(O)CN(C)C)CC1"]
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["51395463","COC1(OC)OC(C)=CC(=O)C1(OC)OC"]
["MCULE-7809164009","COC1(OC)OCCC1(O)O"]
["34147673","COC(=O)[C@@]12O[C@@](C(=O)OC)([C@H]3CC[C@@H]4[C@H](C[C@H]31)[C@]1(C(=O)OC)O[C@@]4(C(=O)OC)C1(OC)OC)C2(OC)OC"]
["67218008","CON1OC(C)(OC)C[Si](OC)(OC)[Si]1(OC)OC"]
["106692396","CO[C@]12C/C(C)=C/CC[C@H](C)C(=O)[C@@H](Cl)C1=C(C)C(=O)O2"]
["188733675","COC1(CNC2(C)CC2)CCC1"]
["97173802","COC1(OC)C2(CC2)C12CC2"]
["180258155","C=C(C)N1[SiH](C)N(C(=C)CCC(C)N2[SiH](Cl)N(C(C)CCC(C)N3[SiH](C)N(C(C)C)[SiH]3C)[Si]2(Cl)Cl)[SiH]1C"]
["165179372","C=C(CC(C)C)N1CCC(CC(C)C)C1"]
["173300666","C#CC(CCC(=C)/C=C\\C(=C(\\C)C(C)C)C(C)C)C(C)C"]
["88514270","COc1cc2nc(CCCl)n(C(C)C)c2cc1OC"]
["187896473","C=C(Cl)C(C)C(C)=C(C)NC(Cl)C(C)CC"]
["87179590","CC(C)CC(C)n1c(CCCl)nc2cc(Cl)cnc21"]
["157902249","C=C(C)CCN1CC[C@H](O)C1(C)C"]
["174634614","COC(=O)C(=N)CC(C)N1CCC(N2C(=O)Cc3ccc(C)cc32)C(C)C1"]
["92361672","C=C(C)CCC(O)c1ccc(Cl)c(Cl)c1"]
["189290915","CC(C)N1CCC2(CC2)[C@@H](Oc2ccc3c(c2)COC3=O)C1"]
["177915118","C=C(N=C/C=C(\\C)Cl)C(O)=NCC(=O)N1CCN(C(C)C)CC1"]
["92691779","C=C(C)CCC(N)c1cc(Cl)c(OC)c(OC)c1"]
["180965813","COc1cc(N=c2nnc3[nH]cc(-n4ccnc5c(Nc6cc(Cl)c7c(c[nH][n+]7C(C)C)c6)nnc4-5)[nH]c2=3)cc2c1cnn2C"]
["173508653","CC(C)Oc1ccc(N=c2[nH]c(CN3CCO[C@H](C)C3)nc3cc(-c4ncccc4Cl)ccc23)cn1"]
["57729883","CCN(c1nc(Nc2ccc3c(cnn3C)c2)ncc1F)c1cccc2n[nH]cc12"]
["170642127","COc1nc(=N[C@@H]2CCN(C(C)=O)CC2(F)F)[nH]n2ccc(-c3ccc4nnn(CCF)c4c3)c12"]
["83091315","COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CC2(O)C1"]
["192485844","CC(C(=O)Nc1ccc(-c2nccn3cc(-c4cnn(C)c4)cc23)cc1)c1ccc(Cl)cc1"]
["63666034","COc1cc(NS(=O)(=O)CCCCCCS(=O)(=O)Nc2ccc(N=c3c4ccccc4[nH]c4ccccc34)c(OC)c2)ccc1N=c1c2ccccc2[nH]c2ccccc12"]
["MCULE-9179560677","COc1cc(-c2cccc3c2cnn3C)ccc1N=C(O)Cc1cc(F)ccc1F"]
["171820981","COC(CN1CCC(n2cc(N=c3[nH]cc(-c4ccc5c(c4)CC5)n4ccnc34)cn2)CC1)OC"]
["200302790","CCc1cc(Nc2ncc(Cl)c(=Nc3ccc4nccnc4c3N(C)S(=O)(=O)C(C)C)[nH]2)c(OC)nc1N1CCC(N2CCN(C)CC2)CC1"]
["13077371","COc1ccccc1N=C(O)CSc1nnc(-c2cnccn2)n1C"]
["45427761","COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCC(=O)CO"]
["55879494","CC1=C(C)[C+](C)C(C)=C1[Si-](C)(C)=CC(C)C(C)C=[Si-](C)(C)c1c(C)c(C)c(C)[c-]1C.[Ti+4]"]
["171035433","Cc1c(C)c(C)[c-](C)c1C.[Ru+]"]
["171898961","CCC(C)C1=CCC=C1[Si-]=C1C=C(C)[C+](C)C(C)=C1C"]
["56275826","CC1=C(C)C(=O)C(OCC(C)C)=C(C)C1"]
["43237560","Cc1c(C)c(C)[c-](C)c1C.[Ir].c1ccc(-c2cccc(-c3ccccc3)c2)cc1"]
["99539084","C[c-]1[c-](C)[c-](C)[c-](C(C)O)[c-]1C.Cc1c(C)c(C)[c-](C=O)c1C.[Fe]"]
["172828101","COC(=O)[c-]1c(C)c(C)c(C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Fe+2]"]
["93587664","CSCC(C)N(C)C(CN)c1ccc(F)cc1C"]
["49288813","CC1=C(C)[C+](C)C(C)=C(C)C1=[Si-][O+]=[Si-]"]
["185858506","Cc1c(C)c(C)[c-](C)c1C.[Sm]"]
["170695571","Cc1c(C(C)C)cn(C)c1F"]
["170266185","Cc1c(C(F)F)cccc1C(C)NS(=O)C(C)(C)C"]
["174353751","C=CCC1(CCOCC[N+]2(CC=C)CCCCC2)CCCCCCCC1"]
["150694048","Br.NCCCCCC[N+]1(CC[S-])CCCCC1"]
["159924589","CS(=O)(=O)CC1(CN2C(=O)C3(CCCCCC3)N=C2O)CCC1"]
["142637906","CCOCCC1(CN=C(O)NC2CCCOC2)CCC1"]
["116710066","CN=C(NCC1CN2CCN1CC2)NCC1(CCOC)CCCC1"]
["97724032","C/C=C\\C[N+]1(/C([O-])=C/C)CCCCC1"]
["86630258","COc1ccsc1C(=O)CC1(CC(=O)O)CCCCC1"]
["121665998","CCOCCC1(CNS(=O)(=O)c2cn(CC(C)C)cn2)CCCC1"]
["16494882","C=CC[N+]1(CC#CC2=CCCCC2)CCCCC1"]
["136118454","COCCOCCOC(=O)CC1CCCO1"]
["157959222","C=CC[C@@]1(C=O)CC[C@H](C)C1"]
["87322827","C=CCN(CCC1(N)CCCC1)C(C)(C)C"]
["171673836","CCCONC1(OCCC)NC(=N)N(OCCC)C(OCCC)(N(C)OCCC)N1OCCC"]
["179136486","CCCON(C)C(C)(C)NC"]
["112922025","CCCCC(CCC)N=c1[nH]c(N(C)C)nc(=N)[nH]1"]
["179271336","CNCC1CCC2OC(=N)NC2C1"]
["185852493","CCN(C)C1(Cn2cnc3cc[nH]c3c2=O)CCCCC1"]
["94071342","CCCOc1ccc(C2CNCC3(CCCC3)CO2)cc1"]
["60162298","CCCc1c(N)ccc(N(CC)NS(=O)[O-])c1C"]
["112844196","CCCN(CC)CCNCc1sc(N(C)C)nc1OC"]
["111993426","CCCN(CC)CCNCc1c(C)nn(C)c1OC"]
["83888672","CCOC1(OCC)NC(=N)C2(C#[NH+])C(Cc3ccccc3)(Cc3ccccc3)C12C#N"]
["121717609","CCCCOc1ccc(CNCc2cnc(N3CCOCC3)c(F)c2)cc1"]
["46388353","CCC(C)N(C)CCOc1ccc(CNCC(C)C)cc1"]
["168633464","[B+]=[Si-]12[Si]3[Si](c4c(C)cc(C)cc4C)([Si]1=[Si-]3(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)[Si]2(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C"]
["93290743","CNCC1(Cc2c(C)cc(C)cc2C)CCOC1C1CC1"]
["87374722","COc1ccccc1[C@H](C)NC(C)c1cc(C)cc(C)c1"]
["111428099","C=C(CN)COc1ccc(C)cc1C"]
["179852998","CCC(O)Oc1c(C)cc(C)cc1C"]
["90050030","Cc1cc(C)c2c(c1)C(CN)CC(C)C2"]
["177067751","Cc1cc(C)c(-c2cc(C)cc(CO)c2O)c(C)c1"]
["63213942","Cc1ccc(CN(C)CC(O)=[NH+]c2cc(Cl)ccc2Cl)c(C)c1"]
["162905436","Cc1cc(C)c2c(c1)SCC[C@H]2N"]
["114465987","COCC(CN)(Nc1cc(C)c(Br)c(C)c1)C1CC1"]
["177404049","COOP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1"]
["184141004","CCc1cccc(-c2c(C)cc(C)cc2C)c1C"]
["172772277","[B]OB(C)OB(C)C"]
["175415831","CB(C)OOB(C)C"]
["173318646","[B]C(C)CC1CCCCC1B(C)C"]
["78864986","[2H]NB(C)O"]
["197747987","[B]COB(OC)OC(Cl)(Cl)Cl"]
["78229144","[O][SH](=O)(Cl)OCl"]
["174136147","CB(C)OCCC[Si](C)(F)F"]
["32553215","COc1c(C)c(Cl)c(OC)c(O)c1O"]
["176339442","COSB(C)I"]
["45527154","[B]OP(=O)([O-])[O-]"]
["54750338","[B]C(OC)(OC)OC"]
["98572360","CB(C)O.CC"]
["44373455","C[Si](C)=N[C]1N[C-](N=[Si](C)C)NC(N=[Si](C)C)=[NH+]1"]
["42125643","C[Si](C)=Nc1ccccc1"]
["141568499","Cc1ccc(Sc2nc(=NC(=O)c3ccon3)s[nH]2)cc1"]
["168480704","C[Si](C)=N[Si-](C)C.C[Si](C)=N[Si-](C)C.[Mg+2]"]
["102721537","Cc1ccc(Sc2nc(=NC(=O)c3cccc(O)n3)s[nH]2)cc1"]
["74406933","CS(=O)(=O)Cc1ccc(SSc2ccc(CS(C)(=O)=O)cc2)cc1"]
["172071737","C[Si](C)=N[Si-](C)C.C[Si](C)=N[Si-](C)C.[Nd]"]
["162915412","CCC(N)Cc1cc(C)cc(Cl)c1"]
["84116353","Cc1cccc(-n2cc(C)c3c(N)nc(C)nc32)c1"]
["182544873","Cn1n[nH+]c(=O)[nH]1"]
["83058186","C[Si](C)=NC1=N[C](Cl)NC(Cl)=N1"]
["87095042","Cn1nnc(=NS(=O)(=O)c2ncn(C)c2Cl)[nH]1"]
["59549998","CP1PPPP2P(C)P(C)P(C)P(C)P12"]
["174841728","CP1OC[CH-]CO1.[Rb+].[Rb+]"]
["177920926","CP1C=[O+]PP1"]
["179845376","CP1CCC[C@H]1[C@@H]1CCC[P-]1"]
["161680974","P1PP(P2PPP2)P1"]
["154693960","CP1PPPPP1"]
["175979584","Br[As]=N[N][As](Br)Br"]
["78478379","SB=NBr"]
["78595273","CB=NS"]
["62114187","NN[As](Br)Br"]
["83989518","BrB(Br)N(B(Br)Br)B(Br)Br"]
["185222890","BrC(Br)(Br)N1NC=CO1"]
["181179020","Br[AsH]N=N[As](Br)Br"]
["172286515","O=C(O)[As]N=N[As](Br)Br"]
["76422674","O=C([O-])CCC(Br)=NO"]
["61505803","Cc1nsc(CS)n1"]
["56639546","O=C([O-])CC/C(Br)=N/O"]
["91441922","Br[As](Br)[As+](Br)(Br)Br"]
["147734576","CO[C@@]12CC(C)OC1[C@@]1(O[PH](C)(Cl)O[C@@H]3CC(C)OC[C@@]4(O[PH](C)(Cl)O[C@@]56CC(C)OC5[C@@]5(O[PH](C)(Cl)O[C@@H]7CC(C)OC[C@@]8(O[PH](C)(Cl)OC)C[C@H]8C7)C[C@H]5C6)C[C@H]4C3)C[C@H]1C2"]
["87364115","COC(=O)C1OC12CC(C)OC(C)C2"]
["82429582","COCc1noc2c(Cl)c3c(cc12)CC1(C(O)=NC(=O)N=C1O)C1C(C)OCCN31"]
["MCULE-8825370085","COC(=O)N1CCC(C(=O)OC2CCOC(C)C2)CC1"]
["154917181","COC[C@@H]1OC[C@H]2C[C@@]3(C[C@@H](C)O1)[C@H](C)CC[C@H]3C2(C)C"]
["101594879","C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(N=C(O)c3cnc(OC4CC4)cn3)cs2)CO1"]
["93428257","CC1CC(OC2CC(Br)C2(C)C)CC(C)O1"]
["149602455","COC1CC(C)OC(OC2C(C)OC(C)CC2OC)C1"]
["187704237","CC1CC(OC2N(c3cn[nH]c3)C=Cc3nc(=N[C@H]4CCN(CS(=O)O)C[C@H]4C)[nH]n32)CCO1"]
["160771017","C[C@H]1OCC[C@H]1NS(=O)(=O)CC1CC(F)(F)C1"]
["MCULE-6111980243","CC1CC(OC(=O)COC(C)(C)C)CCO1"]
["180811328","COC1CCCC(C2(O)CC(O)CCC2CN(C)C)C1"]
["185910381","CC(C)(C)P(CC[N-]CC[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl.[Pt+2]"]
["186251581","CC(CC(C)(C)N)c1cc(C(C)(C)CC(C)(C)N)c(C(C)(C)CC(C)(C)N)cc1C(C)(C)CC(C)(C)N"]
["33568315","Br.Br.CP(CCCP(C)C(C)(C)C)C(C)(C)C"]
["99374235","CC(C)(C)P(CC1C=CC=C1)C(C)(C)C"]
["183583174","CC(C)(C)P(Cc1ccccc1CN=[N+]=[N-])C(C)(C)C"]
["99673731","CCCC[N-]CCCC.[CH2-]CCC.[Mg+2]"]
["101074521","CC(C)(C)P(CN(CP(C(C)(C)C)C(C)(C)C)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C"]
["171306171","Cc1ccc(CP(C(C)(C)C)C(C)(C)C)c(C)c1"]
["170615993","CC(C)(C)P(C[C@@H]1[CH-][C@H](CP(C(C)(C)C)C(C)(C)C)CCC1)C(C)(C)C.[C-]#[O+].[Ir]"]
["32794001","CC1(C)O[C@@H](CP(C(C)(C)C)C(C)(C)C)[C@H](CP(C(C)(C)C)C(C)(C)C)O1"]
["180859040","CCCCP(CCNCCP(CCCC)C(C)(C)C)C(C)(C)C"]
["97885956","CC(C)(C)P(PP(C(C)(C)C)C(C)(C)C)C(C)(C)C"]
["170457145","BrCC#CCC#CCC#CCBr"]
["79911782","[CH2]CBr.[Zn]"]
["74416777","C1CCSC1.CCCCCC#CCC#C/C=C/C=C/CBr"]
["200541439","O=C(O)c1cc(F)cc(C#CCBr)c1"]
["96801305","CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC#CCBr)cc1OC2(C)C"]
["200541063","COC(=O)c1sccc1C#CCBr"]
["182385923","CCCC(C)(C#CCBr)ON=[N+]=[N-]"]
["195535239","OCC#CCO.[Br-]"]
["176095441","BrCCN(CCBr)[SiH](N(CCBr)CCBr)N(CCBr)CCBr.[Sn]"]
["91305996","CCCCCC=CCC#CCC#CCO"]
["99618988","[C-]#CCCCBr.[Cl-].[Mg+2]"]
["190557601","C.CCBr.CCBr"]
["179551365","CCCC(S)(CC)CCCS1(C)CCCS(C)(CCCSCl)CCCS(C)(Cl)S(C)(Cl)CCCS(C)(CCCS(C)(C)Cl)CCC1"]
["84579132","CCC(C)(C(CCCS(C)(=O)=O)NC)N1CCCCC1"]
["184999203","CCCC[C@](C)(O)CCC[C@@H]1C(C)C(/C=C(\\C)CCSCC)C[C@H]1O"]
["179012578","CCc1oc(=O)oc1CS1(C)CCC1"]
["167574051","CCCC(C)(C)C(S)(S)SSCC(C)(C)CC(C)(C)CCOP(OCCC#N)N(C(C)C)C(C)C"]
["120415691","CCSCCCN=C(O)C1(C(=N)S)CCCC1"]
["84961128","CCCC(CCl)(CCl)CCCS(=O)(=O)CC"]
["97092134","C=C(CCCC)C(O)(CCC)CCCC"]
["181376297","CCCC(O)(S)[C@@](O)(CCC)[C@](O)(CCC)[C@H](O)CO"]
["91312134","CCCOP(=O)(NCCCSCl)OCCC"]
["113099956","CCCC(CCC)(COCCC1CCC1)CS(N)(=O)=O"]
["84184007","C=C(Cl)CC(C)(O)CCCC"]
["175185193","[B+]C1([B+])CCC[C-]([O-])N1C1=C=C=C(N2[C-]([O-])C3=C(CC2([B+])[B+])[C-](C(=N)O)[N-]N3[C-]2C(=[B+])C(=[B+])[C-](OC)C(=[B+])C2=[B+])CC1"]
["157024473","CO[C@@H]1CCC[C@@](O)(C(=N)O)C1"]
["158590904","COC1(C(O)=NS(=O)(=O)c2ccc3c(c2)CCCO3)CCOCC1"]
["100309832","COc1ccc(N2NC(C(=N)O)=C3C2=C(O)N(C2=C(O)C(=O)C(N4C(=O)CCCC4(O)O)=C(O)C2=O)C(O)(O)C3(O)O)cc1"]
["1234831","COc1cc2nc(S[C@@H](C)C(=N)O)n(CCC3=CCCCC3)c(=O)c2cc1OC"]
["74224399","COc1ccc(C2(c3ccccc3)C=CC3=C=NN(C(=N)O)[C]3C2)cc1OC"]
["81201702","COC(=O)c1ccc(C(O)=Nc2ccc(S(=O)(=O)N=C3CCCN3C)cc2)s1"]
["133021227","COC(=O)C1CCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C"]
["MCULE-3747749928","N=C(O)[C@]12CCCN1CC(=O)C2"]
["184329321","COCCOCC[C@]12Cc3cnn(C(C)C)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2"]
["160663039","O=S1(=O)CCN(C(O)=NCCC2=CCCCC2)CC12CCCCC2"]
["155092646","COC[C@@]1(CC(=N)O)CCCN1C(=O)c1cnc2ccccc2c1"]
["195960035","C[C-]=C([N-]C)[Cl+]C"]
["69646895","C[C-]=C(C)[C-](C)C(C)C(C)C.[Y]"]
["178390521","C=C(N)C(=N)[N-]C"]
["174091905","[B+]=CCC(=[C-]C)C(CC)CC"]
["79420481","CCN(CC)P(O)NC"]
["42340343","C[C-]=C(C)/C(C)=C(/C)[C]NN.[W]"]
["179159422","C[C-]=C(C(=[N-])C(C)(C)C)C(C)(C)C.[U+2]"]
["60398587","C[C-]=P.[Y]"]
["180751573","[CH-]=C(O)N=[C-]C.[U+2]"]
["191594489","CC(=O)N(C)C.C[N-]C"]
["180761174","[CH-]=C(C)[N-]C.[Th+2]"]
["78980223","C[C-]=C(C)C(=O)[O-].[Mg+2]"]
["174082256","C=C/C=C\\C(=BC)c1nc(/C(C=C)=C/C=BC)nc(C(=C/C)/C=c2/nc(C(/C=C(C)/C(C)=C/c3c(/C=C\\C=C)[c-](C)[n+](=c4[n-]c(/C=C\\C)c(C=C)o4)c3=BC)=C/[B+]C)sc2=C)n1"]
["187844122","C=C/C=C\\C(=C/C)N=C(O)[C@@](C)(O)Cn1nnc(C=C)c1/C=C\\C"]
["150684617","C=Cc1c(/C=C\\C)c2c3oc4c(c3cc(-c3ccc5sc6ccccc6c5c3)c2n1C1N=c2ccccc2=C(c2ccc3ccccc3c2)N1)C=CC(C)C4"]
["164045586","C=C/C=C\\C(=C/C)c1ccccc1N(/C(C=C)=C/C1=C(C=C)c2ccc(N(C(/C=C\\C=C)=C/C)c3ccccc3C(/C=C\\C=C)=C/C)cc2C1(C(/C=C\\C=C)=C/C=C)c1ccccc1)C(/C=C\\C)=C/C=C"]
["176236178","C=Cc1ccc2/c(=C(N=C(C)c3cccc(C4=CCCC=C4)c3)\\C(C)=C\\C=C/CC)c(=C)sc2c1/C=C\\C"]
["176365748","C=C/C=C\\C(=C/C)N(/C(C=C)=C/C(C)=C\\C)c1cccc2c(/C=C\\C)c(C)ccc12.CC"]
["175242380","C=C/C(=C\\C=C/C)c1cnc(N)c(-c2nc(/C=C\\C)c(C=C)s2)n1.CC.CC"]
["173837078","C=C/C=C(\\C=C)c1nc([B]C)nc(C(/C=C\\C)=C/C=C\\C)n1"]
["174084128","C=C/C(=C\\c1c(/C=C\\C)c(C)n(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1[B]C)c1ccc2c(c1)C(C)(C)c1ccc3nc(-c4ccccc4)sc3c1-2"]
["176107276","C=CC(=C\\C(=C/C)\\C(C=C)=C\\CC)/C(C)=C/C(=C\\C)c1nc(C=C)c(C)c(C/C=C\\C)n1"]
["187450819","C=C/C=C\\C=C(/C=C)c1nc(C(/C=C\\C(=C)BS)=C/C)[nH]c1C(/C=C\\C=C)=C/C=C"]
["175253784","C/C=C\\C=C/C(=C(C)C)c1ncc(CN2CCC(CNC(C)(C)c3nc(OCC)cc(Cl)c3N)CC2)s1"]
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["59670555","O=[N+]1OCCSO1"]
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["66184827","O=[N+]1CCC2(CCCC2)N1"]
["74840300","O=C1C[N+](=O)CO1"]
["200235111","CC[Si]1=[O+][Si](CC)=[O+][Si](CC)=[O+][Si-](CC)[O+]=[Si](CC)O[Si-](CC)(=S=[Si-]2(CC)O[Si](CC)=[O+][Si-](CC)[O+]=[Si](CC)O[Si-](CC)O[Si-](CC)O2)O1"]
["61856520","CC[Si]1O[Si-](CC)O[Si-](CC)[O+]=[Si](CC)[O+]=[Si](CC)O[Si](Cl)(CC)O1"]
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["100285314","CO[Si](CC[Si]1=[O+][Si](C)=[O+][Si-](C)O[Si-](C)O1)(OC)OC"]
["44205861","CCC[Si]1=[O+][Si](CCC)=[O+][Si-](CCC)O[Si-](CCC)O1"]
["60384599","CC[Si]1=[O+][Si]2(CC)O[Si]3(CC)O[Si-](CC)O[Si]4(CC)O[Si](CC)(O1)O[Si](CC)(O[Si](CC)(O4)O3)O2"]
["56710846","CC[Si]1=[O+][Si](CC)=[O+][Si-](CC)O[Si-](CC)O[Si](CC)(OC)O1"]
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["93358150","COCC(NN)C1CCOC1"]
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["180027930","C=CC1(C)OC[N+]12CCC2"]
["34476483","C=CC[C@@H]1C[C@H](CCCCCC)O[C@H](C(C)C)O1"]
["157796416","CN=C(NN)N[C@@H]1CCOC[C@H]1C"]
["189946086","C=CC1=C(C=C)COCOC1.CC"]
["184381188","CC(C)(n1cccn1)C(C)(C)[C@](C)(N1C=C=NC=N1)C(C)(C)N1C=C=NN=C1"]
["197183870","CC1CCC(O)CC1n1cccn1"]
["4438861","C[C@H](C(=O)N1CCN(c2ncccn2)CC1)n1cccn1"]
["101122963","CC(C)(C)n1ccnc1P(=O)(c1ccccc1)c1ccccc1"]
["45408124","CC(C)(c1[c-]c(C(C)(C)n2cccn2)ccc1)n1cccn1.CC(C)(c1cccc(C(C)(C)n2[c-]ccc2)n1)n1[c-]ccc1.[Ir+3]"]
["172527995","COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(C(F)(F)n3cccn3)cc(OC)c12"]
["51979217","CC(Cl)(I)n1cccn1.Cl"]
["176314378","Cc1nc(C(C)(C)O)c(C)o1.O=C(c1cccnc1-n1cccn1)N1CCCCC1"]
["175719054","CC(C(O)=NC1CC(C2CC=c3c(n(C)c(=O)n3CC(C)(C)C)=N2)CCC1(C)C)n1cccn1"]
["8428190","CC(C)(C)[C@H](Cn1cccn1)N=C(O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2"]
["53639317","CNC(Cn1cccn1)C12CC3CC(CC(C3)C1)C2"]
["46738768","CC1CCC(n2cccn2)CN1"]
["101250250","[2H]C([2H])([2H])C1(C([2H])([2H])[2H])S[C]2C(=C(C(=O)O)C3=C(SC(C([2H])([2H])[2H])(C([2H])([2H])[2H])S3)C2=C(c2c3c(c(C(=O)O)c4c2SC(C([2H])([2H])[2H])(C([2H])([2H])[2H])S4)SC(C([2H])([2H])[2H])(C([2H])([2H])[2H])S3)c2c3c(c(P(=O)(O)O)c4c2SC(C([2H])([2H])[2H])(C([2H])([2H])[2H])S4)SC(C([2H])([2H])[2H])(C([2H])([2H])[2H])S3)S1"]
["157764986","CC1(C(=O)O)C=CC=C(C(=O)O)C1.c1ccccc1"]
["163059830","COC(=O)c1onc(C(C)C)c1C(=O)O"]
["MCULE-2949606958","CC(O)n1nc(C(F)F)c(C(=O)O)c1Br"]
["26695474","Cc1cc(C)n(CCc2ccccc2)c(=O)c1C(=O)O"]
["173870999","COc1ccc(CC(NP(=O)(O)Cc2ccccc2)C(=O)O)c(OC)c1OC"]
["73902536","CCC1(CC)CN(C)C2SC(=C(C(=O)O)C(=O)O)SC2(C)N1C"]
["MCULE-8492256881","Cc1cnccc1-n1nc(C(C)C)c(C(=O)O)c1C(F)(F)F"]
["68538500","CC1(C(=O)O)C=CC=C(c2ccccc2)C1Cl"]
["105172174","C[C@H](NC(=O)c1ccc(C(=O)O)s1)c1ccc(Cl)s1"]
["4350707","C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CC(=N)O)c2ccccc21"]
["171915967","Cc1c(Br)sc(NC(=O)OC(C)(C)C)c1C(=O)O"]
["96629690","[CH+]1C[CH+]C2[CH-]C[CH-]C[C]2C1"]
["97325122","[CH-]1C[C]2CCC1C2.[Na+]"]
["184552114","CC(C#N)c1cc(I)c2c(c1)CCCC2"]
["25637631","[C]1C[CH+]C[CH-]C1"]
["76044073","[CH+]1CO[C@@H]2[CH-]CO[C@H]12"]
["79279491","[CH+]1CCC1C1C[CH-]C1"]
["165045358","ClC1=[C-]CC([ClH+])[CH-]C1"]
["81675699","[CH-]=C([CH+]C1=[C-]C(C2SC(=N)N=C2O)[CH-]C[CH-]C1)OC.[W].[Y]"]
["97506908","[CH]1C2[CH+]C[CH-]C1[CH-]C[CH+]2"]
["100265988","[CH2+]C1=[Si-]C[CH-]C1"]
["180032674","CC1CC1C1=CC[CH+]C1"]
["162163185","CC1C(=O)[CH-]CC1=O.[Na+]"]
["184588529","FC/C(F)=C(F)\\C(F)=C(/CF)[B-](C1=C(F)C(F)C(F)C(F)=C1F)(c1c(F)c(F)c(F)c(F)c1F)C1C(F)=C(F)C(F)=C(F)C1F"]
["62646182","O=C(CF)OCc1c(F)c(F)c(F)c(F)c1F"]
["33768665","CC(C[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["193392431","CC(C)CCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["100917698","C[C-]=[O+][B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["196450729","CC(=C=C[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["5567430","CC[C@@]1(C(=O)[O-])C(F)=C(F)C(F)=C(F)[C@H]1F"]
["122469891","CC(C)(CNC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C1CCCC1"]
["61184074","NC/C(F)=C1/CCC[C@H]1C(=O)O"]
["150098562","CC(C)CS(=O)(O)(O)c1c(F)c(F)c(F)c(F)c1F"]
["170546758","CC(C)(C)P(=N[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C(C)(C)C)C(C)(C)C"]
["101476144","FC1=C(F)C(F)CC=C1C1=C(F)C(F)C(F)C(F)=C1F"]
["171890847","C=C1[NH2+]Cc2ccc(cc2)C[NH2+]CC[NH+]2CC[NH2+]Cc3ccc(cc3)C[NH2+]CC[NH+]1C(=C)[NH2+]Cc1ccc(cc1)C[NH2+]CC2"]
["51023767","CC(C)[NH+]1CC[NH2+]CC1"]
["19602103","COc1ccc(Cl)cc1[NH+]1CC[NH2+]CC1(C)C"]
["3204954","CSc1cccc([NH+]2CC[NH2+]CC23CCCC3)c1"]
["66270519","c1cc2nc(c1)C[NH2+]CC[NH2+]CC[NH2+]C2"]
["18704356","c1ccc2c3c([nH]c2c1)CC[NH2+]C3"]
["13733138","Fc1ccc([C@H](c2ccccc2)[NH+]2CCC[NH2+]CC2)c(F)c1"]
["33077720","C=C1CCCCCCCc2ccc1cc2"]
["19872423","[NH3+]C1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CC1"]
["9769358","Clc1ccc(O[C@@H]2CCC[NH2+]C2)cc1"]
["176635269","C=C1C[NH2+]C/C1=C/C(=C\\C)C(F)(F)F"]
["83579923","Cc1ccc(C(C)[NH+]2CC[NH2+]CC2)c(C)c1"]
["161891962","N=C1C2=C[CH+]C=CC2=[Si-]c2cc[nH]c(=N)c21"]
["145591431","N=c1[nH]ccc(N)c1-c1ccccc1"]
["87784896","COc1cc(C)cc2cc[nH]c(=N)c12"]
["49855058","CCCn1ccc(=O)n(Cc2cc[nH]c(=N)c2)c1=O"]
["173623964","Cc1cc[nH]c(=N)c1.O=C(O)[C@@H]1CC(O)=N1"]
["61627348","COc1ccc2nc(-c3c(C)[nH][nH]c3=N)sc2c1"]
["42111243","c1cc2c([nH]1)CNS2"]
["158043706","Cc1cc(Br)cc2c(=N)[nH]ccc12"]
["25256001","[Si-]=C1C=C[CH+]C=C1Cl"]
["55178849","Cc1cccc(-c2c(-c3ccccc3Cl)o[nH]c2=N)c1"]
["94261784","CCC(CN)CC(=O)c1c(C)cc[nH]c1=N"]
["42964599","CCCNC(CCc1c(C)cc[nH]c1=N)C(C)C"]
["61091391","CN1CC=C2C(CN3CCCCC3)=[NH+]C=C[C-]2C1"]
["2705815","CCOC(=O)[C@H]1CCCN(C(O)=[NH+]Cc2ccccc2CN2CCCC2)C1"]
["MCULE-3914049309","Cc1nnc(N=C(O)COc2cn(Cc3ccccc3F)c(CN3CCCCC3)cc2=O)s1"]
["8520375","COc1ccc(OC)c([NH+]=C(O)CCN2CCCC2)c1"]
["12850402","COCCN(C)CCC[NH+]=C(O)[NH2+]Cc1cccc(CN2CCCCCC2)c1"]
["22488004","CCOc1ccc([NH+]=C(O)CN2CCC[C@H]2CN2CCCCC2)cc1OCC"]
["155933297","COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1"]
["200412697","COC(=O)c1c(-c2ccc(OC)c(CN3CCCCC3)c2)nn(-c2ccccc2)c1C(=O)OC"]
["1722116","O=C(c1cnccn1)N(CCC(O)=NCc1cc[nH+]cc1)CCN1CCCCC1"]
["106247504","CCOC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)N=C(O)N[C@@H]1c1ccccc1OC"]
["171126761","Cl.O=C1C(=C2SC=CS2)C(=O)C(CCN2CCCCC2)Oc2ccccc21"]
["141372586","Cc1cc(N=C(O)C(=O)N2CCC(CN3CCCCC3)C2)n(-c2ncccn2)n1"]
["150492434","BBB(B)B(B(B(B)B)B(B)B)B(B(B(B)B)B(B)B)C1CCC(C2CCC(Cc3cc(N)cc(N)c3)CC2)CC1"]
["59803868","CCOC(=O)C1CCN(C(=O)c2cc(N)cc(N)c2)CC1"]
["178274535","CC(=O)C(CCCCCCC1CCC(N2CCc3cscc3N[N+]2=O)CC1)Cc1cc(Cl)c(N)c(C(F)(F)F)c1"]
["198237594","Cc1cc(N)ccc1CN1CCN(S(=O)(=O)C2CC2)C(C)C1"]
["48626718","CCCCC1CCC(C2CCC(c3cc(F)c4c(c3)COC(Cl)C4)CC2)CC1"]
["88823908","Cc1ccc(C(N)c2nnc(CC3CC3)o2)cc1C"]
["102050765","Nc1cc(O)nc(S[C@@H]2/C(=N/O)[C@@H]3CC[C@@H]2C3)n1"]
["172074603","CC/C=C1\\C=CC(C2CCC(C3CCC(CCC)CC3)CC2)=CC1"]
["46519222","CN1C(=N)N[C@](C)(c2cc(CC3CCOCC3)ccc2F)C(C)(C)C1=O"]
["187563564","CC(=O)Oc1ccc(CC2CC2)cc1S(=O)(=O)CC1CC1"]
["172896404","Cc1cc2oc(=O)cc(CN3C[C@H]4CC[C@@H](C3)C4N)c2cc1C.Cl.Cl"]
["60989279","COC(=O)C1=C(Cl)C(CC2CC2)=NC(c2ccc(Cl)c(F)c2Cl)N1N"]
["51103556","COc1cc(CC2c3cc(OC)c(OC)cc3CC[NH+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2C(C3)[NH+](C)CC4)cc1OC"]
["107862212","CCOc1cc2c(cc1OCC)[C@@H](CN(C)C)NCC2"]
["60231462","COc1c2c(cc3c1C(CC(O)=C1C(=O)N(C)C(=S)N(C)C1=O)N(C)CC3)OCO2"]
["75398855","COc1cc(C(=O)CC2c3c(cc4c(c3CO)OCO4)CC[N+]2(C)C)cc(CO)c1OC"]
["MCULE-9809175970","COc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)C(C)Oc3ccccc3-c3ccc(CN(C)C)cc3)CC1)C2"]
["84280088","COc1cc2c(cc1CNC1CCCN(C)C1)OC(C)C2"]
["7665520","COc1cc2c(cc1OC)[C@@H](CC(O)=Nc1ccc(F)cc1F)CC2"]
["186831568","COc1ccc(C(=O)N2CCc3cc(OS(N)(=O)=O)c(OC)cc3C2=O)cc1OC"]
["MCULE-6463554555","COc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)c3cccc(-c4c(C)noc4C)c3)CC1)C2"]
["64616462","CCOC(=O)N1CCc2cc(OC)c(OC)cc2C1=Cc1ccsc1"]
["MCULE-2998618454","COc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)Cc3ccc(-c4ccnc(F)c4F)cc3C)CC1)C2"]
["MCULE-8794292762","COc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)c3ccc(F)cc3-c3ccccc3OC(F)(F)F)CC1)C2"]
["79133030","C=C1[C+]=C([OH2+])[N-]S([O-])([O-])[OH+]1.[Ca+2].[H+]"]
["159135513","C=C1CN(C[C@@H]2COCCN2)C1"]
["159133837","C=C1CN(C[C@@H]2CCCN2)C1"]
["100239117","C=C1C(C)CC(C)CC1Cl"]
["83530437","C=c1nnc(=C([N+](=O)[O-])[N+](=O)[O-])[nH]1"]
["24975919","C=C1CNCC1NC"]
["162820010","C=C1CCN(CC2CC(O)CN2)CC1"]
["61989897","C=c1sc2c(c1=C)[C-](O)[N-]S2(=O)=O.[Ca+2]"]
["191439330","C=C1B(O)CCB1O.C=C1N(C)CCS1(=O)=O.C=C1NCCS1(=O)=O"]
["90857795","C=C1CNCC(C)N1"]
["74331023","C=C1CCNCC1C"]
["62575866","CN1CN[C+]=C1[O-].[V]"]
["176833958","C1=C=C2NNC=CC2=CC=1"]
["74926353","N=C(O)C1=CC2=CC3=CC=C=CC3=C[C]2C=C1"]
["185536119","Fc1cccc(C2=CC=CNN2)c1"]
["167382244","O=C1OC2C3C4=CC=C=C=C4[C@@H](c4ccccc43)C2O1"]
["66002028","O=NC1=CC=CNN1"]
["65207432","NC1=NC(=C2C=CNN2)N=C1"]
["66614809","O=C(NCCCc1cc(O)n[nH]1)c1cccc2c1=CC(=C1C=CNN1)N=2"]
["178851785","O=C1C=C(CC2=CC=C=C=C2)CO1"]
["98180813","O=C(O)C1=c2[nH]c(-c3cccc(F)c3)nc2=C=C=C1"]
["26266326","C1=CC=C2C=CCO[C]2C=1"]
["180593990","CC1C=C(NC2=CC=C=C=C2)C=CC1"]
["174820357","C=C1C2=C=C=CC=C2Oc2ccccc21"]
["58750957","[B+]C([B+])(OC(=O)OC(=O)OC(B1B=B1)(B1B=B1)B1[B-]#[B-]1)B(C12B=[B-]1[B+]2)C12B=[B-]1[B+]2"]
["74289878","CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1cccc(Br)c1S2.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C"]
["174825048","CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1cccc(CC)c1N"]
["173524118","N#CC(C#N)(C#N)OOB(O)O.[H-].[Li+]"]
["192946848","CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NC(=O)O"]
["74407008","CC1=C(c2ccc(C)cc2)C(N)(C(=O)OC(=O)OC(C)(C)C)C(C)N=C1CC(C)(C)C"]
["98955429","CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CN(C)CCN.CNCCN"]
["191267938","CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)CN"]
["157566712","CC(C)(O)C#CC#CC(C)(C)O.CCC(C)(C)OC(=O)OC(=O)OC(C)(C)CC"]
["198733924","Brc1ccc2c(c1)CCC2.CC(C)(C)OC(=O)N1CCc2cc(Br)ccc21.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C"]
["2361050","CCCCN1Cc2cccc(NC(=O)C(=O)[NH2+]CCCOCc3ccco3)c2C1"]
["167256507","CS[Si](C)(C)/C=C/CB1O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O1"]
["173722054","[B+]C1OC([B+]C(F)=C(F)F)OC1S([O-])(O)F"]
["185297875","C[C@@H]1O[C@H](CC(=O)[O-])C(F)(F)[C@H](CC(=O)[O-])[C@H]1CC(=O)[O-]"]
["178856573","O=S(=O)(O)C1CCCCC1I"]
["176249671","[B+]OCC1OC(OS(C)(O)O)C(C)(F)C1O[B+]"]
["150376186","CC1C=CCCC(c2c([N+](=O)[O-])cnn2C)O1"]
["173412480","CC1OC(C)C(C)(F)C(O)[C@H]1O"]
["174551350","O=S(=O)(O)C1OC[C@H](O)[C@@H](O)[C@@H]1O"]
["180845972","COC1CC(C)OC(C)O1"]
["180483157","O=S(=O)(O)C1C(F)C(F)C(F)C(I)C1I"]
["161832300","O=S(=O)(O)C1OC=CC=C1F"]
["193205493","[B+][C@@H]1O[C@]2(CC)C(C)[C@@H]1N(C)S2([O])O"]
["175438446","CNS([O])([O-])c1ccc([B+]O)cc1"]
["100210355","Cc1nc2nc(S)[nH]n2c(=S)c1-n1c(S)nc2c(S)nc(S)nc21"]
["140228449","C#CCSCCN=C(O)CCc1c(C)nc2nc(=N)[nH]n2c1C"]
["169076254","COc1c(Cl)cccc1C1N=C(S)Nc2nc(S)nc(S)c21"]
["85918002","CCn1nc(C)c2nc(S)n(-c3cc(C#N)ccc3Cl)c21"]
["66335437","Cc1ccc2nc(COC(=O)CCc3c(C)nc4nc(=N)[nH]n4c3C)cc(=O)n2c1"]
["162068253","Cn1c(O)nc2c(S)ncnc21"]
["185593965","Cc1c(S)nc(S)nc1-c1ccccc1"]
["155340794","Cn1nnc(-c2nc3c(S)nc(S)nc3[nH]2)c1C(F)F"]
["20977174","COc1ccc2[nH]c3c(=O)n(CCCCC(O)=N[C@@H]4CCCC[C@H]4C)c(S)nc3c2c1"]
["151817658","C[C@@H]1N=NC2=C1[C@H](c1ccccc1O)c1c(O)nc(S)nc1N2"]
["169079107","COc1c(Br)cc(C2N=C(S)Nc3nc(S)nc(S)c32)c(O)c1OC"]
["197825389","O=c1nc(S)nc2cc(Br)[nH]n12"]
["161871852","FC(F)COC1=C(OCC(F)F)C(OCC(F)F)=C(OCC(F)F)[P+](OCC(F)F)(OCC(F)F)N1"]
["143127293","O=S(=O)(CCCNc1ccccc1OCC(F)F)c1ccccc1"]
["126293306","O=C(NCC1CCCC(O)C1)c1cccnc1OCC(F)F"]
["144424819","CC(CCc1cccn1C)N=C(O)c1ccc(OCC(F)F)nc1"]
["127378771","C=CCCOCCNC(=O)c1cc(OCC(F)F)ccn1"]
["87516993","C[C@H](N)c1ccc(OCC(F)F)nc1"]
["51242752","FC(F)COc1ccc2ccccc2c1CBr"]
["133737723","CCc1nc(CNC(=O)C(=O)Nc2cccnc2OCC(F)F)cs1"]
["139434380","CC(O)=Nc1cccc(OCC(F)F)n1"]
["20881174","COc1ccccc1CN=C(O)C[NH2+]CC(F)(F)F"]
["93886919","CN(CC(F)F)c1ccc2ncccc2c1N"]
["143287285","O=C(Cn1cc([N+](=O)[O-])cn1)OCC(F)F"]
["91475070","FC(F)([Si+][O+]=[Si-]C(F)(F)F)[Si-][O+]=[Si-]C(F)(F)F"]
["170996125","N#Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1C(=O)Cl"]
["172521123","[CH2-]CC[O+]=[Si-]C(C(C)C)(C(C)C)C(C)C.[Li+]"]
["99641523","C[O+]=[Si-]C(C)(C)CC(F)(F)F"]
["73527269","FC(F)(F)C(c1ccc2c(c1)O2)(c1ccc2c(c1)O2)C(F)(F)F"]
["50320948","CCOC(=O)c1ccc(C(O)C(C)(C)C(F)(F)F)cc1"]
["169859259","CC(C)(F)[C@H](N)O"]
["75015479","[NH]c1ccc(C(F)(F)F)cc1Cl"]
["162328612","FC(F)C(F)(F)Cn1ccnc1"]
["42562226","O=S(=O)([O+]=[Si-]C(F)(F)F)C(F)(F)F"]
["9478324","C[C@H]1CC=C2[C@@H](C1)[C@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N"]
["58080919","O=S([O-])[O+]=[Si-]C(F)(F)F"]
["178884764","C1[I-]C[C@]23CC4CC2CC([I-]4)C1[I-]3"]
["180701982","C1=NC[C@@H]2CC3CC132"]
["179249854","CC[C@H]1CC2(N)CC3CCC1[C@@H](C2)[I-]3"]
["96627497","C1C2CC1[C@]13C[C@]14C1CC(C1)[C@@]41C[C@]14C1CC(C1)[C@@]41C[C@]213"]
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["100328877","N=C(O)Cn1ncc(O)nc1=O"]
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["54565807","[3H][PH]1=NN=S=C(I)CCC1.[W]"]
["64415624","[B]=CNC(C=[B])[C-]([O-])N(C=[B+])C=[B+]"]
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["161925146","[B+]=C[C-](O)O"]
["173467619","[B+]=[O+]CC(NC)[C-](C)[O-]"]
["173720425","[B]CC(C[B+])[C-]([O-])O[B+]"]
["178525681","C[I+]N(C)[C-]([O-])[NH+](C)C"]
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["189927395","CC.C[I+]NC([C-](C)[O-])C(C)C"]
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["162030637","CC/C=C(\\CCN(C)C)C(C)NC"]
["173689336","[B+]OO[C-]([O-])OO[B+]"]
["161899804","C1CN1[P+]1=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1"]
["64333508","COP1(N2CC2)=NP(N(C)C)(N(C)C)=NP(N(C)C)(N(C)C)=N1"]
["43266950","ClP1(N2CCCCC2)=NP(Cl)(N2CCCCC2)=NP(N2CC2)(N2CC2)=N1"]
["53590670","ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(N2CC2)=NP(Cl)(N2CC2)=N1"]
["161815920","C1CN(C2CC2)N=N1"]
["145169960","CP1(C)=NP(C)(F)=N[P+](F)=N1"]
["171633273","C1CCC([Si](C2CCCC2)(C2CCCC2)N2CCN([Si](C3CCCC3)(C3CCCC3)C3CCCC3)CC2)C1"]
["188252364","COC(=O)C1CN(Sc2cn(C)c(C)n2)C1"]
["173301557","NN1CCC2(CC1)CN=C(S)O2"]
["56365931","C1CCN(P2(N3CC3)=NP(N3CCCC3)(N3CC3)=NP(N3CCCC3)(N3CC3)=N2)C1"]
["73711277","[C+]1=C2[N-]CCN2CCN1"]
["32140380","Fc1ccc(CN2CCCNP23=NP(N2CCC4(CC2)OCCO4)(N2CCC4(CC2)OCCO4)=NP(N2CCC4(CC2)OCCO4)(N2CCC4(CC2)OCCO4)=N3)cc1"]
["183194217","[CH+]=c1[cH-]ccc1=[C]C(C)(C1=[As]C=C2C=CC=C21)C1=C2C(=C(C3SC=C4C=CC=C43)C(C)=C2C2OC=C3C=CC=C32)C(N=[N+]=[N-])[Se]1.[Sb]"]
["182726339","[CH+]=c1[cH-]ccc1=[C]C(C)C1=C2C(=C(C3SC=C4C=CC=C43)C(C)=C2C2OC=C3C=CC=C32)C(N=[N+]=[N-])[Se]1.[Sb]"]
["183033438","CC1=PC(C2=C3C(=C(C(C)(C)C4=NC=C5C=CC=C54)SC3N=[N+]=[N-])C(C(C)(C)C3OC=C4C=CC=C43)=C2C(C)(C)C2SC=C3C=CC=C32)=C2C=CC(C)=C12"]
["182780646","[N-]=[N+]=NC1OC=CC=C1c1ccccc1"]
["184043298","CC1=C(C)C(C2=CC(N=[N+]=[N-])c3ccc4ccccc4c32)([Si](C)C)C(C)=C1C"]
["57636766","Cc1nn(C)c(C)c1N=C(O)c1csc(C2CCN(C(=O)C(C)(C)Oc3ccccc3Cl)CC2)n1"]
["167281876","CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)[C@@H](N=[N+]=[N-])C(=O)C(C)=C1C2(C)C"]
["183564334","[N-]=[N+]=NC1=CC2=CC=CC3=CSC=CC34C=CC=CC24S1"]
["181639278","COC1(C(=O)C(C)(C)C)C=CC=C(C)C1N=[N+]=[N-]"]
["183643239","CCCCC1=C(C)C(C2=PC=C3C=CC=C32)C2(C)C(=C1c1ccc[nH]1)C(N=[N+]=[N-])(C1C=CC=C1)C(C)(C)C2(C)C"]
["82519133","N#CC1=C(O)N=C2C3=CC=CC4=C(Sc5ccc(N)cc5)C=CC(=C21)C34"]
["20332027","COc1ccccc1CN=C1N=C(O)[C@@H](CC(=O)[N-]c2ccc(C)cc2)S1"]
["184062269","[N-]=[N+]=NOS(=O)(=O)C1=C(OS(=O)(=O)C2=CCCCC2)C(OS(=O)(=O)C2=CCC2)(OS(=O)(=O)C2=CCCC2)C(OS(=O)(=O)C2=CC2)CCC1"]
["183036438","COc1ccc2c(cnn2N2C(N=[N+]=[N-])C=CN2C)c1S(=O)(=O)C1CC1"]
["27732874","NS(=O)(=O)c1ccc(-n2nc(C(F)C(F)F)cc2C2=CCCCC2)cc1"]
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["164840088","CC(C)CN=C(O)C(C)Oc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1"]
["183288375","[N-]=[N+]=NOC(=O)C1(OC(=O)c2ccccc2)CCCCC1"]
["68171340","[N-]=[N+]=NC1CCCC=C1c1ccccc1"]
["65194816","CC(=O)O/N=C1\\CCCC[C@H]1C1=CCCCC1"]
["33110751","CC(C)(C)OC(O)=N[C@]1(C(=O)O)C[C@H]1CN=[N+]=[N-]"]
["31796401","O=C(O)C(=C(C(=O)O/C1=C/CCCCCCCC1)/C1=C/CCCCCCCC1)/C1=C/CCCCCCCC1"]
["181378335","CCS(=O)CCCOC(CCON=[N+]=[N-])S(=O)(=O)CC"]
["59388122","COCCCS(=O)C1CCCCC1=O"]
["190879405","CC1=CC2=C3C=C(C(C)(C)C)C=CN3C3(N4C=NC=CC4=C4N=C(C(F)(F)F)N=[N+]43)[N+]2=N1.CC1=CC2=C3C=C(C(C)(C)C)C=CN3C3(n4nc(C(F)(F)F)nc4-c4c5ccc(C(C)(C)C)cc5cc[n+]43)[N+]2=N1.Cc1cc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3c4ccc(C(C)(C)C)cc4cc[n+]31)[n+]1ccccc1-2"]
["175391962","CC(C)(C)c1ccc2c(c1)CC[n+]1c-2cccc1C1(c2cccc3c4ccc(C(C)(C)Cc5cccc6c5-c5ccccc5C6(c5cccc6c5CC[n+]5ccccc5-6)c5cccc6c5[pH][n+]5ccccc65)cc4[pH][n+]23)c2ccccc2-c2ccccc21"]
["178946762","CC(C)N1C(c2ccccc2)N(C(C)C)C12[n+]1ccc3sc(-c4cccc(F)c4F)cc3c1-c1ccc(C(C)(C)C)cc1C2(C)C"]
["67295388","CC(C)(C)c1ccc2c(cc[n+]3ccccc23)c1.[O-][Cl+](O)(O)O"]
["176104427","Cc1ccccc1Nc1nc2ccc(-c3cc(C(C)(C)O)nn3C)nc2cc1N=C(O)c1cc(F)cc(C(F)(F)F)c1"]
["177045314","O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(F)(F)F)nn3C34n5nc(C(F)(F)F)cc5-c5cc(C(=O)O)cc([n+]53)-c3cc(C(=O)O)cc[n+]34)n2)c1.[Ru]"]
["190286008","CC1=NC2=C3C=C(C(C)(C)C)C=CN3C3(N4C=NC=CC4=C4N=C(C(F)(F)F)N=[N+]43)[N+]2=N1.CC1=NC2=C3C=C(C(C)(C)C)C=CN3C3(n4nc(C(F)(F)F)nc4-c4c5ccc(C(C)(C)C)cc5cc[n+]43)[N+]2=N1.Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3c4ccc(C(C)(C)C)cc4cc[n+]31)[n+]1ccccc1-2"]
["89779321","Cc1nc2ccc(C(F)(F)F)cn2c1N=Nc1ccc(F)c(Cl)c1"]
["101209146","CC(C)(C)c1ccc2c(-c3cc(C(F)(F)F)n[nH]3)nccc2c1"]
["150081441","CCC1(C)n2nc(C)cc2-c2cccc[n+]2C1(CC)CC[n+]1c(-c2c(C)ccc3oc4ccccc4c23)cnc2cccnc21"]
["66963173","Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc45)s3)C2c2ccc(C(C)(C)C)cc2)cc1F"]
["199759881","Cc1c2ccccc2cc2[o+]c3cc4cc(C(C)(C)C)ccc4c4c3c(c12)N(C)C=C4"]
["174109450","C=C/C=C1/B2C(=C(C=C)n3c(C)c(C=C)c(C=C)c31)/C(=C\\C=C)n1c(C=C)c(C)c(C=C)c1/C2=C\\C=C"]
["24778136","Cc1nn(C2CCCC2)c(C)c1C=O"]
["174248576","C=Cc1c(O)c(C(=O)/C=C/C2CCCN2)c(=O)n(I)c1C=C.CC"]
["MCULE-9729173046","Cc1cnc(-c2c(C=O)c(C)c(C=O)n2C)s1"]
["42032331","Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C(C)C)C3CCCC3)CC2)cc1C"]
["180566616","C=CC/C(=C\\CC)c1[nH]c(=N)nc(O)c1C"]
["176254454","C=C/C(S)=C\\c1c(C)[c-]n(C)c1C=C.CC.[Rb+]"]
["173120646","C=C/C=C1C(=C/C)\\CCN\\1C"]
["176068520","C=Cc1c(C(=O)CN2CCC(N=CO)CC2)c(C)n(-c2ccc(Cl)cc2)c1C=C"]
["174391541","C=Cc1c(O)nnc(C)c1/C=C\\CC"]
["181673854","C=Cc1c(N=[N+]=[N-])c(C)c(-c2nnc(C3CC3)o2)n1-c1cccc(Br)c1"]
["174707972","C=Cc1c(C)cc2c(c1/C=C\\C)CCC=C2"]
["198724580","C=C1CCc2c(ccc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)c2Cl)C1"]
["148835114","Cn1c(O)nc(-c2cc(Cl)ccc2Cl)cc1=O"]
["75578499","O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1[C@H](c1ncc(C3=CC=C=C[N]3)[nH]1)CC2"]
["18953065","C=C1N=C2CC(C)(C)CC(=O)[C@H]2[C@H](c2cc(COc3ccc(Cl)cc3C)c(C)s2)[C@H]1C(=O)OCC"]
["70071541","N=C1NCc2cc(-c3nc(C(Cc4ccccc4)N=C(O)C=Cc4cc(Cl)ccc4-n4cc(C(=O)O)nn4)[nH]c3Cl)ccc21"]
["65090536","O=C([O-])CCN1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)c3sc([O-])nc3S[C@@H]2C1=O"]
["30962736","N=C(O)Nc1cc(-n2ccccc2=O)ccc1-n1cc(CNC(=O)c2ccc(Cl)s2)nn1"]
["MCULE-8482976256","C#CC(=O)N1CCC(CN2CCCCN(C(=O)c3cccc(C)n3)CCCOc3ccc(Cl)cc3C2=O)CC1"]
["26009170","O=C1C(F)N=C(c2ccccn2)c2cc(Cl)ccc2N1CC1CC1"]
["185522860","CCOC(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2N(CCN(CC)CC)C1=O"]
["7037414","O=C(CCSc1nc(-c2ccc(Cl)cc2Cl)cs1)N1CCCCC1"]
["31525175","CC(=O)c1ccc(-c2ccc3c(c2Cl)CC(C)C(C)(C)N3C)s1"]
["172497296","C=[Si]=[Si]=[O+][Si-]=[Si]=C"]
["91200660","C=[Si]=[Si]C[CH2+]"]
["91200674","C=[Si][Si]#[Si+]"]
["172576857","C=[Si]=[Si]O"]
["172671502","C=C.[Si-]=[O+][Si][O+]=[Si-]"]
["172233586","C=[Si]=[Si][O+]=[Si-]"]
["91567443","C=[Si]N=[N-].[Li+]"]
["172229507","C=[Si]=[Si]N"]
["60588400","C=[Si][O+]=[Si-]"]
["193713520","C=[Si]O[Si](C)=[O+][Si-]=C"]
["52784105","C=CC(C)[Si][O+]=[Si-]"]
["161823994","C=[Si]=[O+][Si-]=C.[Sn]"]
["67062897","COCC1(C)OC(C)(CO)C(C)(COCC2(C)OC(C)(CO)C(C)(C)C(C)(O)C2(C)C)C(C)(O)C1(C)O"]
["199222849","COCC1(CO)CC2CCCN1CC2"]
["30281778","CCC1(C)OC(COCC(=O)O)C(C)(COC)C(O)C1C"]
["15779708","CO[C@]1(C)[C@](C)(O)[C@](C)(CO)O[C@@H](O)[C@]1(C)O"]
["12976127","CO[C@]1(C)O[C@@](C)(COC(C)=O)[C@@](C)(OC(C)=O)[C@@](C)(OC(C)=O)[C@@]1(C)OC(C)=O"]
["60901785","COCC1(B(O)O)CC1"]
["78664898","BC1(C)C[C@@](C)(OP(O)(=S)OCC2(C)OC(B)(C)C[C@@]2(C)O)C(CO)O1"]
["162370080","COCC1(CN=C(O)OC(C)(C)C)CCC1"]
["175428831","COCC1(C)CN(OC(=O)N=S(=O)=O)C1"]
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["91415214","CC1(OO)OC(C)(C)C(C)(C)O1"]
["90077589","COCC1(N)CC1C"]
["74983410","[CH2].[CH2].[CH]1OCOCOCP1"]
["82873716","C1=COCOCCN1"]
["64190989","C1COCOC1.O"]
["43371005","C1OCOOCOO1"]
["79373986","C1COCOC1.O=[C-]O.[Na+]"]
["107134459","N[C@H]1COC[C@H]1Cc1ccc(Cl)s1"]
["159155938","CC(C)(C)[C@@H]1COC[C@H]1Br"]
["150611664","C1NCOCOCO1"]
["1105895","C1COCOC1"]
["161006942","C1CNNNC1.C1OCOCO1"]
["174941812","CC(OC(C)(C)C)[C@H]1COCN1"]
["174997953","C1OCO1.[Mn]"]
["178312461","CC12CCCC3C4CCC5(C)CC6[C@@H](CC7C4CC3(C)C(C)(CC76C1)C5(C)C)C2"]
["179553087","COC1[C@H]2CCC[C@]12C"]
["199239140","CC1(C)CCCC2CC2CC2(C)CCCC2(C)CC1"]
["149948304","CC1C2CC3C4C5CC6(C)CC(C)(C4(C)C13C)C256"]
["109398408","CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@@H]4C5[C@@H]4[C@@H]3[C@@H]3[C@@H]5[C@@]31C)C2"]
["99151233","CC1C2CCCC3(CC23)C1C"]
["34549031","CC1(C)[C@H]2C=CC[C@H]2[C@@H]2CCC[C@@H]21"]
["174988203","CC1C(O)CCC2(C)C1CCC1C2CCC2C3CCCC3(CO)CC[C@]21C"]
["189230070","CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3CC[C@@]2(C)C1"]
["179004713","CCC1=C(CCC2CC2)CC2CC3CC4(CC1)C3CCC24C"]
["67861752","CCN=C(O)NC1(CN)CCCC(C)C1"]
["169643556","C[C@@H](Nc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C"]
["100857186","Cl[PH2-]1(Cl)[N+][PH2-](Cl)(Br)[N+][PH2-](Cl)(Br)[N+]1"]
["101303431","CCCC[PH3-]1[N+][PH2-](Cl)(Cl)[N+][PH2-](Cl)(Cl)[N+]1"]
["100857189","Cl[PH2-]1(Br)[N+][PH2-](Br)(Br)[N+][PH2-](Br)(Br)[N+]1"]
["101303409","CC(C)(C)[PH2-]1(Cl)[N+][PH2-](Cl)(Cl)[N+][PH2-](Cl)(Cl)[N+]1"]
["101303415","CC[PH2-]1(Br)[N+][PH2-](Cl)(Cl)[N+][PH2-](Cl)(Cl)[N+]1"]
["101303417","CCC[PH2-]1(Br)[N+][PH2-](Cl)(Cl)[N+][PH2-](Cl)(Cl)[N+]1"]
["100857187","Cl[PH2-]1(Br)[N+][PH2-](Cl)(Br)[N+][PH2-](Cl)(Br)[N+]1"]
["100857781","CN(C)[PH2-]1(Cl)[N+][PH2-](Cl)(Cl)[N+][PH2-](Cl)(N(C)C)[N+]1"]
["100857188","Cl[PH2-]1(Br)[N+][PH2-](Cl)(Br)[N+][PH2-](Br)(Br)[N+]1"]
["101303414","C[PH2-]1(I)[N+][PH2-](Cl)(Cl)[N+][PH2-](Cl)(Cl)[N+]1"]
["101303422","CCC[PH2-]1(Cl)[N+][PH2-](Cl)(Cl)[N+][PH2-](Cl)(Cl)[N+]1"]
["101303376","CC(C)(C)[PH2-]1(I)[N+][PH2-](Cl)(Cl)[N+][PH2-](Cl)(Cl)[N+]1"]
["188890380","C1#CC2C(N1)C1C#CN21"]
["184460720","C[C@H]1[C@H]2C#CN21"]
["44111766","C1#CN2CCC1CC2"]
["173889684","CCN1CC#CN1"]
["180148455","C1#CN2CC1C2"]
["178594825","BrC1NC#CS1"]
["74883678","CN1C=[C]NC1Br"]
["180966726","CC1C#CNC1"]
["108628632","CN1Cc2cc(Br)[nH]c2[C@@H](C2CC2)C1"]
["180771883","C1#CC2CC2N1"]
["179146039","IC1C#CC#CN1"]
["178325955","OC1=CC2C[C-]=CCC2C#C1.[U]"]
["195719015","CI=c1nnc(C)c(-c2c(C)nnnc2C(C)C)[n-]1"]
["MCULE-7647860040","Cc1ccc(C)c(-n2cc(I)c(C(C)C)n2)c1"]
["94097934","CCCC(O)CN=C(O)c1snnc1C(C)C"]
["174338814","Cc1cc(CO)nc(C(C)C)c1C"]
["51249717","Cc1c(C(C)C)ncn1CCN=C(O)N(C)C"]
["174081399","Cc1nnc(Cl)c2c(C)[n-]c(C)c12.[Al+]"]
["96333322","Cc1nnc(NC(C)C2CC2)nc1C"]
["175702697","Cc1c(C(C)C)nn(-c2ccccc2)c1NC(=N)O"]
["198752426","CC(C)c1nnn(C)n1.Cc1nn(C)nc1C(C)C"]
["120622083","COc1ccc(C(C)C)cc1Nc1ccc(Br)c(C)n1"]
["48263620","CCOC(=O)CN(CC)CC(O)=Nc1nnc(C(C)C)o1"]
["178101392","CNc1cc(C)c2oc(C(C)C)nc2c1"]
["75922237","C[N+]1CC[O+]CC1"]
["47437259","CC(C)(Br)C=[N+]1CCCC1"]
["180098700","CC1=[N+](C)C(C)C1"]
["73528276","CC1=[N+](C)CCN1CC=O"]
["79561251","C[N+]1CCC1"]
["198695162","CN1CC[N+](C)=C1C[N+]#N"]
["97654127","CCn1[c][n+](C)cc1"]
["178305922","C=CC1C=[N+](C)CC1"]
["111851126","CCOCC(C)OCC(O)C1CCCC1"]
["149782979","CC1CC[N+]1=O"]
["180705434","C[N+]1=CC[NH2+]C=C1"]
["56152580","CN1CC[N+](C)C1=[F+].[I-]"]
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["173866609","[B]C12C3C4CCC4C3C1C1C3C4C5C6C(C5C4(I)C3C12)C1([B])C6C2C3CCC3(S)C21S"]
["82475550","CC(C1CC1)N1CC2C(I)C2C1"]
["173063657","CC1CCC2C(S)CCC12"]
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["185984530","BN1CC2CC2C1C(C)(C)C"]
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["95054894","Cc1nc(CC(CSCC(C)C)NN)sc1C"]
["94296796","Cc1oc(C)c(CNCCNC(C)C)c1C"]
["120296911","CC(C)NCc1n[nH]c(=NCCOCC(F)F)o1"]
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["107493575","COc1ncc([C@@H](N)Cc2ccco2)s1"]
["95175195","COC(=O)C(N)CSCc1ccc(C(N)=O)cc1C"]
["119229195","COc1ncc(C(N)Cc2ccco2)s1"]
["104824561","Cc1n[nH]cc1CN[C@H](C)c1scnc1C"]
["94626113","CC(C)NCc1coc(N(C)CCCN(C)C)n1"]
["112816874","CSc1c(N)nsc1NCCOCC(F)F"]
["68599348","[B-]=IOS[I-]S"]
["56408500","[CH3-].[NH-]OS.[Y]"]
["46274007","PO[I-]SONS"]
["60409711","N[I-]OS"]
["24887461","CN(C)OC(C)(C)C"]
["52722661","NOS[I-]OP"]
["42189140","[B-]=ISP"]
["52411528","[B-]=IOSP[I-]N"]
["64311136","[B-]=INSPO"]
["172031526","[2H]I(I)I=[B-]"]
["175273117","CN(C)C.CN(C)OC(C)(C)C"]
["67887031","S[I-]SI"]
["78317278","[CH2-]N[O+]=[S+]([O-])(O)NO.[Na+]"]
["43788491","[CH2-]CC(CC)[O+]=[S+]([O-])(O)C(F)(F)F.[U+2]"]
["175010960","[B+]=C1C=CC(C(=O)N(C)C)=CC1=[S+]([O-])([O-])NO"]
["172823338","[CH2-]C(=O)[O-].[Ca+].[Na+]"]
["172773681","NCCCCCS[S+](=O)([O-])O.[Na+].[Na+]"]
["78214026","[CH2-]CCCCCCCCCCCCC[S+]([O-])(O)=[O+]c1ccccc1.[Na+]"]
["184823722","[CH-]=CC[O+]=[S+]([O-])(O)NP(=O)(F)F"]
["194140976","[CH2-]CC[S+]([O-])(O)=[O+][Se]C#N.[K+]"]
["173300176","CO[C@@H](C)C[CH-]C[O+]=[S+](C)([O-])O.[Zn+2]"]
["79302991","[CH-]=C(C=O)N[O+]=[S+]([O-])(O)CC(C)C.[Na+]"]
["161810045","C[N+](C)(C)NCC=C([O-])[O-].[Na+]"]
["190450693","CCOC(C)C.[CH2-]CN[S+]([O-])(O)=[N+](C)C.[U+2]"]
["173946831","FI1(Cl)=CC=CC=C1"]
["83985991","FC(F)(F)C(F)(F)C(F)(Br)C(F)(Br)C(F)(F)F"]
["200252786","FC(F)=C(F)C1(Cl)C=CC=C(Cl)C1"]
["73650416","FC1(I)[CH]C=CC=C1"]
["178746810","CI1(C)=CC=CN1"]
["184958189","CC1C=CC=C(Cl)C1(C)F"]
["74553434","FC1(Cl)[CH]C=CC=C1"]
["178417200","CI1(N)=CC=CC=C1N"]
["49724988","FC1(Cl)C=CC=CC1(F)Cl"]
["68800367","C1=CC=CC2(C=C1)C=CC=C2"]
["100182068","FC(F)(F)C(F)(c1cc(Cl)cc(Br)c1)C(F)(F)F"]
["181207061","ClC1=CC=CC=C[PH+]1Cl"]
["161717348","S=P12CC3CC(C1)P1SP14(C3)SP24=S"]
["184713076","NC1OCC2CC1C2"]
["162106118","CSc1nc(Cl)c2scc(C#N)c2n1"]
["90105747","CCc1nc(C2CCCCCN2)nn1C"]
["156139476","N=C(O)c1cccc([C@@H]2CCCCCN2)c1"]
["175269517","C1=CC=CNC=C1.S=P12CC3CC(CC(C3)C1)C2"]
["103071860","CSC1(c2ccccc2)SCSC12C1CC3CC(C1)CC2C3"]
["63851622","C1CCC(P2CCC3CCCC2C3)CC1"]
["160961671","O=S(=O)(C1C[C@@H]2CC[C@H]1C2)N1CCC(c2nc(C(F)(F)F)cs2)CC1"]
["50208435","O=C(O)/C=C/c1ccc(C(=O)NCC2CC3CCC2C3)s1"]
["175269518","S=P12CC3CC(CC(C3)C1)C2"]
["180311659","C[I-]N1CC2CSC1C2"]
["96792686","CC(C)P(=[Se])(N=P([Te][Te]P(=NP(=[Se])(C(C)C)C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)C(C)C"]
["180716460","CC(N)C=N/C=C\\N"]
["79623464","CC(OP(=O)(OC(C)N(C)C)OP(=O)(OC(C)N(C)C)OC(C)N(C)C)N(C)C"]
["79821434","CC(C)COCC(C)C.COC"]
["97850171","CC(C)P(=[Se])(C1=CC=CC1)C(C)C"]
["26949477","CC(O)=NCC(C)CN=C(C)O"]
["33541605","CC(C)P(Cl)(=[Se])C(C)(C)C"]
["97917717","CC(C)P(=O)(NP(=O)(C(C)C)C(C)C)C(C)C"]
["174482979","CC(CC(=O)O)SC1CC=CS1"]
["180097278","C=CC=NC(C)C(C)C"]
["179141215","CCOCC1(N=C(O)C(C)C)CC1"]
["79056813","CC(Cl)N(C(C)Cl)P(=O)(Cl)Cl"]
["61314951","C1=NC2=NC1=NC1=NC(=C3N=CC(=N3)[N-]c3c[n-]c2n3)N=C1.[Pt+2]"]
["2699620","CS(=O)(=O)c1cccc(C(=O)[NH2+]c2ccc(C3N=c4ccccc4=[NH+]3)cc2)c1"]
["97478478","O=C1N=C(O)C2(Oc3nc(O)nc(O)c3C2c2ccccc2)C(O)=N1"]
["78017756","CC1=NC(=O)N=C2N=CC(=O)N=C12"]
["48492837","CC1(C)C2=N/C(=C3/N=CC(=N3)C(C)(C)c3cccc(c3[S-])-c3cccc1c3[S-])N=C2.[Pt+2]"]
["42025469","CC1(C)C2=[C-]C(=CC=[C+]2)[N-]c2c[n-]c(n2)C(C)(C)C2=C=C(C=CC2)N=C2C=NC1=N2.[Pt+2]"]
["62347450","C1=NC2=NC1=NC1=NC(=C3N=CC(=N3)[N-]c3c[n-]c2n3)N=C1.[Cu+2]"]
["174782081","COc1cnc(Cl)nc1-c1cc(-c2nc(Cl)ncc2OC)cc(S(N)(=O)=O)c1"]
["52460242","CC1(C)C2=N/C(=N\\c3ncc([nH]3)C(C)(C)C3=N/C(=N\\c4ncc1[nH]4)C=N3)C=N2"]
["165791018","CC(=O)C1=N/C(=C2/C=NNN2)N=C1"]
["59694500","C1=C2C=CCC=1c1nc(c[n-]1)[N-]C1=CC=[C+]C(=[C-]1)C1=NC(=N2)C=N1.[Pt+2]"]
["5568813","C[C@@H](Sc1nc(N)cc(O)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1"]
["78641620","S=S(=S)=S(=S)=P1=P2=P3=P[PH]321"]
["78561763","O=S(=S)=S(=S)=S(=S)=S"]
["78534813","P[PH]12P=P1=P2"]
["74019405","CC[PH]12P=P1=P2"]
["156393401","CB=S(=S)=S(=S)=S"]
["66657027","S=P([S-])=S(=S)=S"]
["78541170","O=S(=O)=S(=S)=S(=S)=S(=S)=S"]
["59213726","[3H][S+]([S-])([S-])=S(=S)=S"]
["185504192","S=S(Cl)CS(=S)Cl"]
["78579009","O=S(=S)=S(=S)=S"]
["78604338","S=P1=P2=PC12"]
["80018512","CP=S(=S)=S=S=S"]
["76239845","[1N]#[1C][1C]([1C]#[1N])=[1c]1[1cH][1cH][1c](=[1c]2[1nH][1c]3[1cH][1cH][1cH][1c]4[1cH][1cH][1cH][1c]([1nH]2)[1c]43)[1cH][1cH]1"]
["76240002","[1OH][1C]([1CH2][1CH2]Cl)=[1N][1CH]1[1c]2[1cH][1cH][1cH][1cH][1c]2[1O][1c]2[1cH][1cH][1cH][1cH][1c]21"]
["76239994","[1O]=[1C]1[1CH2][1CH2][1C]2([1O][1c]3[1cH][1cH][1cH][1c]4[1cH][1cH][1cH][1c]([1c]34)[1O]2)[1c]2[1cH][1cH][1cH][1c]([1OH])[1c]21"]
["76240012","[1CH3][1O][1c]1[1cH][1cH][1cH][1c]2[1c]1[1CH]([1OH])[1CH2][1CH2][1C]21[1O][1c]2[1cH][1cH][1cH][1c]3[1cH][1cH][1cH][1c]([1c]23)[1O]1"]
["76239977","[1CH3][1O][1c]1[1cH][1cH][1cH][1c]2[1c]1[1C](=[1O])[1CH]=[1CH][1C]21[1O][1c]2[1cH][1cH][1cH][1c]3[1cH][1cH][1cH][1c]([1c]23)[1O]1"]
["76239844","[1CH3][1O][1c]1[1cH][1cH][1c](/[1C]([1C]#[1N])=[1C](\\[1C]#[1N])[1c]2[1cH][1cH][1c]([1O][1CH3])[1cH][1cH]2)[1cH][1cH]1"]
["172758764","N=S(N)SOSS(=[NH2+])[NH3+]"]
["180125715","CS(=N)c1ccccc1N"]
["64828784","CCCOCCCOc1cccc(N)c1"]
["174358750","NCCCCC(=O)ONS(=O)[O-]"]
["182785546","NSCCCOP(=O)([O-])[O-]"]
["179742745","CCC(C)(CC)S(=N)N"]
["172828559","N=S(N)[NH3+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]
["180471250","CSC(C)C(C)C=N"]
["83488694","N=S(N)c1ccccn1"]
["184149663","NCONCC(F)(F)F"]
["49361654","NSOSN"]
["169853202","CCCN(C)S(=N)ON"]
["97447842","F[B-](F)(F)n1cc[o+]c1"]
["63613904","CC(C)(C)n1cc[o+]c1"]
["69754779","O=C1C=C(C(F)(F)F)C(Cl)C=N1"]
["175476507","CON1C=CN(OC)C1.F[B-](F)(F)F"]
["43058751","Cn1ccc[o+]1"]
["194155778","CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.C[B-](F)(F)F"]
["65067607","c1ccc2c(-n3cc[o+]c3)cccc2c1"]
["165784426","F[B-](F)(F)CCN1CC=CC1.[K+]"]
["14287747","CCn1[o+]ccc1-c1ccccc1"]
["171584905","COCCn1cc[o+]c1"]
["180514712","N=C(O)n1ccc[o+]1"]
["183353230","CCc1ccc(Cn2cc[o+]c2)cc1"]
["96861559","C[Ge]1([Ge]2([Ge]3([Ge]4(C)C=CC=C4)C=CC=C3)C=CC=C2)C=CC=C1"]
["110856696","COc1ccc(OC)c([Se])c1[S-]"]
["185676012","CC1=CCP(SCCCCl)C1"]
["195619827","CNC1C=CC(C)C=C1"]
["91445180","C[Si]1([Si]2(Br)NC=CN2)NC=CN1"]
["84122897","C[Ge]1(C)C2C=CC1C=C2"]
["177259888","C[SH]1C=CC=C1"]
["100914635","C[Ge]1(C)CC=CC[Ge]1(C)C"]
["161787478","Cl[Ge]1(Cl)C=CC=CC1"]
["74337673","Cl[C]1CC=CC=C1Cl"]
["84150905","C[Ge]1(C)C=CCC=C1"]
["79454080","COOOOOC.[CH2-]OOOOO[CH2-].[Ca+2]"]
["187192251","C[Si+](C)[si]1[si]#[si][si]#[si][si-]1"]
["103011100","C[Si]1(C)[Si]2[Si](C)(C)[Si](C)(C)[Si](C)([Si]1(C)C)[Si](C)(C)[Si]2(C)C"]
["91022539","CC[Si+](C)CC"]
["112220025","COCC(CNCC(C)C)OC"]
["97672705","C[Si+](C)C1=C([Si](C)(C)Br)[Si](C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si]1(C)C"]
["97674843","C[Si]1(C)[Si@]2(C)O[Si@@]3(C)O[Si@@](C)(O2)[Si](C)(C)[Si@]1(C)[Si]3(C)C"]
["103062451","C[Si]12O[Si]3(C)O[Si](C)(O1)[Si](C)(C)[Si](C)([Si]2(C)C)[Si]3(C)C"]
["192841787","C[I+]N[C-](N)[C-](N)N"]
["113008391","COCC(CNCC(CN)OC)OC"]
["67193681","C[Si+]([Si]#[Si-])C1CCCCC1"]
["161719260","C[Si](C)(C)[Si]1=[Si][Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C"]
["193711461","CSC(F)(F)SI(SC(F)(F)F)(SC(Cl)(Cl)Cl)(SC(Br)(Br)Br)C(I)(I)SC(F)(Cl)SC(F)(F)C(F)(F)F"]
["11864056","CSc1nc2nc(C(F)(F)Cl)cc(C)n2n1"]
["151996633","CCSc1c(C(F)(F)Cl)ccc(C(=O)O)c1C"]
["17469439","CC(C)(C)c1ccc(OC(=O)C(Cl)(C(F)(F)F)C(F)(F)F)cc1"]
["179627116","CCCOC(OCC)(OC(CC#N)(C(F)(Cl)Br)C(I)(OC)[N+](=O)[O-])C(=O)O"]
["180735527","CC12C[C@H](c3ccc(C(O)=Nc4ccc(Cl)cc4)cc3)C3=C4CCC(=O)C=C4CCC3[C@@H]1CC[C@@]2(O)[C@@](F)(I)C(F)(F)F"]
["60830178","CC(C)(C)OC(=O)CCC(F)(Cl)C(F)(F)Br"]
["183818963","COc1c(Cl)cc(C(=O)C(=O)N(C)C)cc1OC(F)(F)F"]
["93821720","CCC(CC)(CNCc1ccc(Cl)s1)SC"]
["81002949","COC(=O)C(I)(Cc1ccc(O)cc1)N(I)C(C)=S"]
["166694023","CSc1c(OC(F)(F)F)cccc1C(=O)C(C)Br"]
["MCULE-2493505567","CSC1CN(C(=O)Cc2cc(C(F)(F)F)ccc2Cl)C1"]
["180013561","C[I+]C1C2N[C-](C)[C-](C)N21"]
["177403292","CCN1NC(C)C1C"]
["174180990","CCC1N[C-](C(=O)[O-])CC1C.[Y]"]
["194803854","C[I+]C1C(C)CCCN1[C-](C)[O-]"]
["88758741","CCCC1NC(C)C(=O)N1C(C1CC1)C1CC1"]
["178121293","CC1=NNC2C(C)N12"]
["156648267","CC[C@@H](C(C)C)N1C(=O)CN[C@H]1C"]
["75606305","CCCCC1NC(C)NC1CCCC"]
["179375934","CC1C(C)N(CN)N1C"]
["98799701","CC.CC.CN1CC(CN)OC1=O"]
["159129204","C[C@@H]1CCN(C#N)C[C@H]1N"]
["168492799","Cc1nn2c(c1C)NCCC2CN"]
["97945794","F[SH](=S)=S123S[PH]1(S2)S3"]
["51036438","S=[N+]1[N-]N=C[NH+]1[S-]"]
["78641633","S=[SH](=S)S12(=S)SP1S2"]
["67257326","S=[N+]1CCSS1"]
["78532310","CC[SH](=O)=S"]
["101329673","B#[SH](F)S"]
["166760366","F[SH](=P)=S"]
["65714188","O=C1CSN[N+]1=S"]
["100821115","O=[SH](F)=S"]
["64739381","S=[N+]1CCCO1"]
["74772447","S=[n+]1[n-]cc(S)s1"]
["78611295","FN[SH](=S)=S"]
["185559152","N[SiH2]O[Si-]=[O+][SiH2]N"]
["185703254","COC(OC)[SiH2]O[Si-]=[O+][SiH2]C(OC)OC"]
["182605843","CNO[SiH2]N"]
["175319260","CCO[SiH2]N.N"]
["78623640","N[SiH2]O[SiH3].[Ti]"]
["79831685","N[SiH2]ON(N)N"]
["173330434","[SiH2]=[O+]OO[SiH2-]"]
["171784780","CCC(C(C)O[Si-]=[O+]C)N(C)C"]
["79402176","CCCC(C)(C)O[SiH2]N"]
["78961062","NO[SiH2]N"]
["44682332","N[O+]=[Si-]O"]
["79901876","N[SiH2]O[SiH3].N[SiH2]O[SiH3]"]
["52104570","CNB1N(C)B(C)N(C)B(NB2N(C)B(NB3N(C)B(C)N(C)B(NC)N3C)N(C)B(NB3N(C)B(C)N(C)B(NC)N3C)N2C)N1C"]
["63189938","CNCc1cc(S(=O)(=O)N(C)CCCOC)cn1C"]
["178037924","CNCC(C)(C)CC(C)(C)CC1CCN(C)CC1"]
["94094566","CNC(c1snnc1C)C1CCC1"]
["179546958","CNCC1N=NN(C)C1C"]
["120606418","CNCC(C)(C)Nc1ccc2c(c1)CCC(=O)N2C"]
["89388325","CNCc1nnc(N(C)C)n1C(C)(C)C"]
["162756854","CNCC(C)(O)c1nncn1C"]
["63561087","CB1N(C)C(=O)N(C)C(=O)N1C"]
["111169071","CNCc1nnnn1-c1cn(C)nc1C"]
["51348176","CN1CC2CC(C1)CS(C)(C)C2"]
["91304000","CB1N(C)B(Cl)N(C)N1C"]
["161736490","C[C+]=CC=C[N-].[In]"]
["91466138","C[C+]=CBr"]
["192849341","C[C+]=[O+]C(=CC)C(=C[O-])N=[N-].[W].[W]"]
["175703095","[Bi].[CH-]=CC=[C+]N.[H]"]
["79855396","C[C+]=CS[O-]"]
["78441076","C[CH]C(N)N(C)C"]
["26035236","C[C](C)C=CC=C(C)C"]
["196686388","C[C+]=CC=C([NH-])[N+](=O)[O-].[V]"]
["26635724","C[O+]=CC=CN(C)C"]
["186732370","C/C=C(\\N(C)N=N)C(C)(C)C"]
["79878250","C/C=[SiH]/O[SiH3]"]
["163964960","CC=CN(C)N(C)C"]
["167226458","C[Se][C-]=C[Se]C.[Cu+]"]
["49800352","C#C[Se]C"]
["167437218","C=[C-]C.[Cu+]"]
["170271477","C=C(C=N)/C=C(\\C(=C)O)C(C)(C)C"]
["167400489","C[Se]/C=C(/C)C=O"]
["174508928","C/C=C(C)\\C(C)=C(\\C)S"]
["100977546","C[Se]C=C=Cc1ccccc1"]
["173419821","CC(C)(C)C(=Cc1ccccc1)C(=Cc1ccccc1)C(C)(C)C"]
["101712216","C[Se][CH]N"]
["76827240","C[Se]C=CC=O"]
["91023251","C[Se]CC=C(C)[Se]C"]
["172988006","C=CC(C=C)(C=C)[Si](C)C"]
["69956929","[2H]C([2H])C([2H])(N([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]"]
["175966957","[2H]N(C)C(C)C(=N)O"]
["170923448","[2H]C([2H])([2H])C(CC)C([2H])([2H])[2H]"]
["64439981","[2H]C([2H])([2H])C([2H])(c1cc(Cl)ncn1)C([2H])([2H])[2H]"]
["32236977","[2H]C(C)(O)CC(=O)O"]
["198471615","[2H]C(C)(CC(C)C)C(C)(C)C"]
["190307967","[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])C([2H])([2H])C"]
["84712482","CCNC(CC)C(C)(C)OC"]
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["185214394","FC1CNCC2CCOc3ccccc3N12"]
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["197939541","CC(NS(=O)(=O)C1=Cc2ccccc2OCC1)[C@@H]1C[C@H]1C(=O)O"]
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["167414231","O=C1Oc2ccccc2C12CC2"]
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["185718068","CC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccc(P(=O)([O-])c4ccc(-c5ccccc5)cc4)cc3-c3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)c(C(C)(C)C)c1"]
["47978359","CC(N)(C#N)CCSc1ccccc1Br"]
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["184333695","COc1cccc(O)c1C(N)=CC(=N)Nc1cnc(C#[NH+])cn1"]
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["200128847","N#Cc1ncc(SCc2ccccc2)cc1F"]
["55950300","Cc1cccc2c1=NC(=C(N)N)N=2"]
["84121375","Cc1ncc(C)c(C(=N)N)n1"]
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["174151982","[B+]=C1C(=[B+])[C-](C([C-]=[N-])=C2C(C([C-]=[N-])=c3c(=[B+])c4c(c(=[B+])c3=[B+])C(=[B+])[C-]([C-]=[N-])C(=[B+])C4=[B+])=C2[C-]([C-]=[N-])[C-]2C(=[B+])C(=[B+])C3=C(C(=[B+])C(=[B+])[C-]([C-]=[N-])C3=[B+])C2=[B+])C(=[B+])C2=C1C(=[B+])[C-]([C-]=[N-])C(=[B+])C2=[B+]"]
["174151962","[B+]=C1C(=C=[N-])C(=[B+])[C-](C(C#N)=C2C(C(C#N)=c3c(=[B+])c(=C=[N-])c(=[B+])c(=C=[N-])c3=[B+])=C2C([C-]=[N-])=c2c(=[B+])c(=C=[N-])c(=[B+])c(=C=[N-])c2=[B+])C(=[B+])C1=C=[N-]"]
["174151972","[B+]=c1c(C#N)c(C(=C=[N-])C2=C(C([C-]=[N-])=c3c(=[B+])c(=C=[N-])c(=[B+])c(=[B+])c3=C=[N-])C2=C([C-]=[N-])c2c(C#N)c(=[B+])c(=[B+])c(=C=[N-])c2=[B+])c(=[B+])c(=C=[N-])c1=[B+]"]
["175811354","[B+]=C1C(=[B+])[C-]([C-]=[N-])C(=[B+])C(N)=C1O[C-]1C(=[B+])[C-](Cl)C(=[B+])[C-](Cl)C1=[B+]"]
["173941263","[B+]=C1[CH-]C(=[B+])C(=[B+])[C-]([C-]=[N-])C1=[B+]"]
["174151970","[B+]=C1C(=[B+])C(=C([C-]=[N-])C2=C(C([C-]=[N-])=c3c(=[B+])c(=[B+])c(=[B+])c(=C=[N-])c3=[B+])C2=C([C-]=[N-])[C-]2C(=[B+])C(=[B+])C(=[B+])C(=C=[N-])C2=[B+])C(=[B+])[C-]([C-]=[N-])C1=[B+]"]
["174151964","[B+]=c1c(C#N)c(C(=C=[N-])C2=C(C([C-]=[N-])=c3c(=C=[N-])c(=[B+])c(=[B+])c(=[B+])c3=C=[N-])C2=C([C-]=[N-])c2c(C#N)c(=[B+])c(=[B+])c(=[B+])c2=C=[N-])c(=C=[N-])c(=[B+])c1=[B+]"]
["174151987","[B+]=c1c(C(=C=[N-])C2=C([C-]([C-]=[N-])c3c(-c4c(F)c(F)c([C-]=[N-])c(F)c4F)c(=[B+])c(=[B+])c(=[B+])c3=[B+])C2=C([C-]=[N-])c2c(-c3c(F)c(F)c([C-]=[N-])c(F)c3F)c(=[B+])c(=[B+])c(=[B+])c2=[B+])c(-c2c(F)c(F)c([C-]=[N-])c(F)c2F)c(=[B+])c(=[B+])c1=[B+]"]
["174151967","[B+]=C1C(=[B+])C(=[B+])[C-]([C-]=[N-])C(=C([C-]=[N-])C2=C(C([C-]=[N-])=c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3=C=[N-])C2=C([C-]=[N-])c2c([C-]=[N-])c(=[B+])c(=[B+])c(=[B+])c2=[B+])C1=[B+]"]
["176380102","[B+]=C1[CH-]C(O)=c2c(c3c(n2[C-]2C(=[B+])[C-]([C-]=[N-])[C-](O)C(O)=C2n2c4c(c5c2C(=[B+])[C-](O)C(=[B+])C5=[B+])C(=[B+])[C-](O)C(=[B+])C4=[B+])[C-](O)C(=[B+])[C-](O)C3=[B+])=C1O"]
["174151988","[B+]=C1C(=[B+])[C-](C(F)(F)F)C(=[B+])C(=[B+])C1=C([C-]=[N-])C1=C([C-]([C-]=[N-])[C-]2C(=[B+])C(=[B+])[C-](C(F)(F)F)C(=[B+])C2=[B+])C1=C([C-]=[N-])[C-]1C(=[B+])C(=[B+])[C-](C(F)(F)F)C(=[B+])C1=[B+]"]
["174151961","[B+]=C1C(=[B+])[C-](C([C-]=[N-])=C2C(C([C-]=[N-])=C3C(=[B+])C(=[B+])[C-]([C-]=[N-])C(=[B+])C3=[B+])=C2C([C-]=[N-])=c2c(=[B+])c(=[B+])c(=C=[N-])c(=[B+])c2=[B+])C(=[B+])C(=[B+])C1=C=[N-]"]
["196855067","C1=C[C-](CC=C2C=C(CCC3C=C=C(c4ccccn4)C=C3)[CH-]C(c3[n-]cc[n+]3[C-]3C=C=C(c4ccccn4)C=C3c3ccc(-c4ccccc4)cc3)=C2)C=CC=1c1ccccn1.[Ir+3]"]
["MCULE-7383891093","CN(CCN1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1)C(=O)c1ccccn1"]
["75654637","C1=N[N]OC=1c1nccnc1-c1nnoc1-c1ccccn1"]
["MCULE-5190317390","Cc1cc(C)c(N=C(O)c2ocnc2C)c(-c2ccccn2)c1"]
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["181902406","C1=CCC2C(=C1)N(C1C=Cc3cc(-c4ccc(-c5ccccc5)cc4)ccc31)C[C@H]2C1=Cc2ccccc2C1"]
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["142196275","CCN(CC)CCCN=C(O)c1cc(-c2ccccn2)ccc1Cl"]
["182794713","Cn1cc(-c2cccc(-c3ccccn3)c2)nc1[C@H]1CCN(Cc2ccccc2)C1"]
["63034595","CCC1=CC(=C2N=C(c3cc(-c4ccccc4)n(C)n3)ON2)C(C)=NC1=O"]
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["54624143","CCP1CCP(CC)CCP(CC)CC1"]
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["32642459","O=P([O-])([O-])CCP1Cc2ccccc2C1.[Na+].[Na+]"]
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["74421870","CCC1P(C)CCP1C"]
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["84034815","CCCN(N=O)N(CC)CC"]
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["98994266","CC(N=O)[Si](C)(C)C(C)N=O"]
["24582500","O=NC([O-])S(=O)(=O)[O-].[Na+].[Na+]"]
["78515087","CC(C)CCCCCN=O"]
["78470382","O=NBCl"]
["59820197","CN(N=O)C(O)=NCCCCN=C(O)N(C)N=O"]
["174283300","CC(C)N(C(C)C)C(C)C(=O)Cl"]
["150538653","CC(N=O)C(C)(C)C(C)N=O"]
["179626947","O=N[O-].[Cl-].[Pt+]"]
["179234310","[OH2+]B(B1O[C@H]2[C@@H]3C1O[C@H]3C1OC[C@H]2O1)C1O[C@@]23CO[C@H](CO2)C[C@H]13"]
["164069451","Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(C)C)[C@@H]1O"]
["109296462","Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3OC[C@H](O3)[C@H]3OC(C)(C)O[C@H]23)cc1"]
["178441972","CN[C@@H]1[C@@H]2OC[C@@H](O2)[C@@H]2C[C@@H]21"]
["69439145","CC(O)=N[C@H]1[C@H](O)[C@H]2O[C@H](c3ccccc3)OC[C@@H]2O[C@@H]1N=[N+]=[N-]"]
["104009221","O[C@H]1[C@H](O)[C@H]2OC[C@@H](O2)[C@@H]1O"]
["21189657","COCC[NH2+][C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2cccc[nH+]2)[C@@H]1O"]
["165786406","CO[C@H]1O[C@@H]2CO[C@@H](O)[C@@H]2[C@H]1O"]
["98675100","CC.CCCC(/C=C(\\C)CC)C(=O)CC(C)C(C)C(OC(=O)C1CCCN1C(=O)C(=O)C1(O)OC(C(CCC)OC)C(OC)CC1C)/C(C)=C/C1CCC(C)C(OC)C1"]
["34018039","OC[C@H]1O[C@H]2OC[C@H]3O[C@@H](O[C@@H]4[C@@H](O)[C@H](OC[C@H]5O[C@@H](O[C@H]([C@H]2O)[C@@H]1O)[C@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O"]
["70505691","O=C1CCCCCCCCCCCCCCOC2OC(COC3OC(CO1)C(O)C(O)C3O)C(O)C(O)C2O"]
["76992027","CC1(C)CC2CC(C=O)C3COC4(CC23C1)SCCCS4"]
["91431190","ClC1=c2c(Cl)c(Cl)c3c(Cl)c(Cl)c(n23)C1Cl"]
["18248196","Cc1c(Cl)c(C(=O)N2CCC[C@@H](C)C2)nn1C"]
["199950710","CCC1=C(Cl)C(Cl)C(=O)N(C)C1=O"]
["74598128","N=C1C2=C(C(=O)N(Cl)C2=O)C(Cl)=C(Cl)C1Cl"]
["185654619","O=C1C=C(Cl)C(=O)C(Cl)C1=C(Cl)Cl"]
["194063339","CC(=O)n1c(C)c(Cl)c(=O)n(C2CC3CC2C2CC(Cl)CC32)c1=O"]
["173426086","CCC1=C(Cl)C(Cl)N(CC)C=C1Cl"]
["195495097","F[C@H]1NC=C1Cl"]
["62684949","Cn1n[n+]([O-])c2c(Cl)c(Cl)c(Cl)c(Cl)c21"]
["173388164","[B+]=C1[C-]=C(C)C(Cl)C(C)=[C-]1.[Y]"]
["47630318","O=[N+]([O-])C1=C(Cl)N(F)C(Cl)N(F)C1Cl"]
["84083770","ClC1=C(Cl)C2CC2C(Cl)=C1Cl"]
["98704071","C1=C[SiH](C2=C([SiH]3C=CC=C3)[SiH]([SiH]3C=CC=C3)C=C2)C=C1"]
["91483645","C#CC(C)(C)Nc1cccc(NC(C)(C)C#C)c1"]
["79053196","CC(C)(C)[SiH]1C=CC=C1"]
["184162743","NC1=CC2OC3=CC(N)C=CC3=NC2C=C1"]
["181242542","O[SiH]1C=CC(c2ccccc2)=C1c1ccccc1"]
["183654508","O=S(=O)=C1C=CC=C[SiH]1S(=O)(=O)[si]1ccccc1"]
["187299713","Cc1ccc([SiH]2C=CC=C2)c(C)c1C"]
["78957386","FC1=N[N]C=C1"]
["194691286","Fc1cc(S)cc(NC(F)(F)F)c1"]
["79776810","FC1=C(F)[SiH](F)C=C1"]
["180463578","ON=C(O)C1=CCCC=CC=C1"]
["24929542","[CH+]=C1CC(F)=C=C2[CH-]C=CC(F)=C12"]
["78220413","[O]CC[AsH3-](CC[O])CC[O+]"]
["25273701","[O]CCCCCCCCCCCCCCCCCC[O]"]
["25770339","[O]CCCC=S"]
["79719757","[O]CCP=O"]
["25180921","CCCOC(CC[O])OCCC"]
["78985978","[O]CCC(CF)(CF)CF"]
["79565046","COC(=O)C(C#N)CCC[O]"]
["145526772","[O]CCCCOCO"]
["79700188","C[N+](C)CC[O+].[Cl-].[Cl-]"]
["26848937","N#CCC[O]"]
["78091426","C/C=C/C(C)CC[O]"]
["96761427","CCCC[O+]"]
["79022635","COCCCP(P)SS[PH](CCCOC)(CCCOC)P(CCCOC)CCCOC"]
["64980129","COCCCNc1ccc(S(=O)(=O)C(F)F)cc1"]
["143050639","COCCCCC(O)=NCC(C)(C)C"]
["91085293","COCCCC(C)=CCCO"]
["120031394","COCCCN=C(O)CSc1nccnc1N"]
["96427383","CCOCCCC(NC)C(CC)CC"]
["111605866","CCOC(=O)COCCNCCCCOC"]
["120974925","COCCCN1CC(O)=NC(C)(C)C1"]
["172099972","COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(O)O"]
["141281647","COCCCCOC(=O)C1CCC(C)(C)CC1"]
["26784398","CCCCCCCC[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC"]
["43037680","COCCCCOCc1ccc2c(c1)CC2"]
["88199564","CCc1nn(Cc2c(Br)c(CC)nn2CC)c(CC)c1N"]
["171763051","CCCn1nc(CO)c2cc(Br)ccc21"]
["MCULE-6471032983","CCc1nn(Cc2ccc(C)cc2)c2c1C(c1ccccc1C)C(C(O)=NCC(C)C)=C(N)O2"]
["48857473","CCc1nn(C)c(CNCCCOc2ccccc2)c1Br"]
["44445474","CCc1nn(C)c(COc2ccc(Br)cc2C(C)N)c1Cl"]
["MCULE-7584946366","CCCn1nc(C(C)C)cc1Br"]
["115043860","CCc1ncnc(Oc2cc(Br)cc(F)c2F)c1F"]
["MCULE-7041236199","CCN=C(O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)C1c1ccc(O)cc1O"]
["67609960","CCn1nc(C)c(N)c1C(=O)OCc1ncccn1"]
["56354355","CNC(Cc1ccccc1OC)Cc1c(Br)c(C)nn1C"]
["60267039","C/C=C(/O)c1c(Cl)c(C)nn1CC"]
["112187467","CCc1nn(C)cc1NC(C)c1ccc(F)c(F)c1"]
["100560586","S=[C+]S#CS#C[SH]=[C-]CS"]
["79639869","[CH2+]CS[NH+]([S-])[C-]=S"]
["175480986","CCCCS.S=C=S"]
["150607472","S=CC(=S)C(=S)S#CCS"]
["66130752","CC([C-]=O)CS.[Y]"]
["172984035","N[C@@H](CS)C(=S)[Se]"]
["79573062","CC(CC(C)(CC(C)(C)C)N=C=O)N=C=O"]
["91714766","C#CSCS"]
["26638996","CCC(N=C=S)SC(CC)N=C=S"]
["79722428","S=C=NC(CS)N=C=S"]
["150214227","CCC(C)(CC(C)(C)N=C=O)N1C(=O)N(C(C)(C)CC(C)N=C=O)C1=O"]
["67163671","[3H]S(CS(=S)CS)=S=S"]
["186003890","Cl[Si]1=[O+][Si-]=[O+][Si-](Cl)COC1"]
["60971753","OCCC[Si-]1O[Si]2(CCCO)O[Si](=[O+][Si-]=[O+]1)O[Si]1=[O+][Si-]=[O+][Si-](CCCO)O[Si](CCCO)(O1)O2"]
["47713847","C[Si]1=[O+][Si-]=[O+][Si-](C)O[Si](C)(C)O1"]
["61756664","Cl[Si]1=[Si](Cl)[Si]#[Si]OC1"]
["161838328","C[Si](C)(Cl)CC1NCC=CN1C[Si](C)(C)Cl"]
["185605783","O=S(=O)(C1CCCC2OC21)C1CCCC2OC21"]
["14406455","C1OC[NH+]2CSC[C@H]12"]
["MCULE-3069125309","COc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)c(Cl)c1Cl"]
["168454735","O1[Si-]=[O+][Si-]=[O+][Si-]2O[Si]3=[O+][Si](=[O+][Si-]=[O+][Si-]=[O+]3)O[Si-]1O2"]
["61774964","[NH-]S(=O)(=O)Oc1ccc(N2CCOCC2)cc1.[Na+]"]
["25325906","C1=[O+][CH-]COC1"]
["122640323","CCN(CC)C(=S)SCC1CCOCC1"]
["145379976","[O+]#[N+]C[N-][SH]=[P-]"]
["78548748","[B+]=[SH][N-]CC"]
["175147596","[N-]=[N+]=C1C=CC(O)(O)C=C1"]
["56150988","O=C1CCC(=O)C(Cl)=C1Cl"]
["148613239","[CH+]=[C+][C@H](C)[N-][SH]=[P-]"]
["96834080","C[N-]CC[NH+](C)N(O)[N+]#[O+]"]
["79821574","O=NC[N+]#[O+]"]
["47927926","CCNc1nc(C)c(C)nc1C"]
["96803154","CC[N-]CC/C(=C/O)[N+]#[O+]"]
["78643651","C[CH+][SH]=[P-]"]
["79493238","C=C[N+]#[O+]"]
["75615191","[CH2+]CCC=C(O)[N-][c+]1[n-][n-][c+](S)s1"]
["78312103","OCC(O)(O)C(O)(O)OOCC(O)(O)C(O)(O)OO"]
["166635580","O=NCC(CO)(CN=O)COCC(CO)(CO)CO"]
["185133898","C=COCC(F)(F)CO"]
["100647631","CC=CC(C=CC)(CO)OC"]
["93280112","COc1nccnc1OCC(C)(C)CO"]
["176941571","CC(N)(N)C(CO)C(O)(O)CO"]
["52746599","OCC(O)(F)CO"]
["51598382","CC(O)(CO)COc1ccc(Cl)cc1"]
["173406561","C=C(C)COC(C)(O)CO"]
["91455061","CC(=O)O.CC(=O)O.CC(=O)OCC(CO)(CO)c1ccccc1"]
["172845573","O=[N+]([O-])OC(O)(CO)C(O)(O[N+](=O)[O-])C(O)(O[N+](=O)[O-])O[N+](=O)[O-]"]
["82251246","NC(N)(OO)OOC(N)(N)OO.OCC(O)CO"]
["177581622","NSOC(O)=NBN=C(O)BC(O)=NBN=C(O)OSN"]
["78075582","OC(=NS)OS"]
["97819899","CCN=C(O)BC(O)=NCC"]
["79273307","CC(O)=NBN=C(C)O"]
["185825788","CC(C)(C)OC(O)=NC(N)(CO)CO"]
["84005472","COC(O)=NN.Cl"]
["99702622","CN=C(O)O/N=C(\\CC(C)C)SCC(C)C"]
["32597718","CSC(=[15NH])[15N]=C(O)OC(C)(C)C"]
["179608967","C=C(OC)SC(O)=NN"]
["111615887","CONCC(N)C(=N)O"]
["172180551","CCC(CO)(CO)OC(O)=NS(=O)(=O)C(F)(F)F"]
["185389795","CN=C(O)ON=CC1(SC)CC1"]
["54140034","Cl[Si]12B3[Si]4=[Si]1[Si]1(Cl)[Si]2(Cl)[Si]2(Cl)[Si]3(Cl)[Si]4(Cl)[Si]12Cl"]
["57476858","Cl[Si]12B3[Si]4(Cl)[Si]1[Si]1(Cl)[Si]2(Cl)[Si]3(Cl)[Si]41Cl"]
["195307207","Cl[Si]1(Cl)O[Si](Cl)(Cl)O[SiH-](Cl)(Cl)O1"]
["170411214","C1CC2CCC(S2)C2CCC(CCC3CCC([SH+]3)C3CCC1S3)[SH+]2"]
["159194422","O=CCN1CC[C@H]2CC[C@@H](C1)S2"]
["51915345","CC1(C(F)(F)F)CC2CCC1S2"]
["44755605","FC1CCSC1(F)F"]
["187522899","OC1(I)C[C@@H]2CC[C@@H](C1)S2"]
["171607638","CN=C(O)C1CC2CCC1S2"]
["170411215","C1CC2CCC(S2)C2CCC(CCC3CCC(S3)C3CCC1S3)S2"]
["67107791","OC(CC1CC2CCC1S2)(C(F)(F)F)C(F)(F)F"]
["49752836","Cl[C@H]1CC[C@@H]2S[C@H]1CC[C@@H]2Cl"]
["197469766","O=CC1(CCF)CC2CCC(C1)S2"]
["61108432","SC1CCC2SC1CCC2S"]
["47719574","C1CC2CC1SS2"]
["32545192","[2H]N=C(O[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])N=C(O[2H])[C@]([2H])(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[C@]([2H])(O[2H])[C@@]([2H])(N([2H])[2H])C([2H])([2H])[C@@]([2H])(C([2H])([2H])c1c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])OC([2H])([2H])[2H])c1[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]"]
["75902468","[2H]O[C@]([2H])(C([2H])([2H])N(CC(C)C)S(=O)(=O)c1ccc2c(c1)OCO2)[C@@]([2H])(N=C(O)O[C@H]1CO[C@H]2OCC[C@H]21)C([2H])([2H])c1c([2H])c([2H])c(OC([2H])([2H])c2nc(C([2H])[2H])sc2[2H])c([2H])c1[2H]"]
["190722673","[2H]c1c([2H])c(OCC(O)CCCC([2H])([2H])c2c([2H])c([2H])c(OC)c(OC)c2[2H])c([2H])c(C)c1C"]
["147180039","CC(C)COc1ccccc1CN=C(O)C(N)C1CCOCC1"]
["33932195","[2H]c1c([2H])c(C([2H])([2H])[2H])c(N=C(O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC([2H])([2H])[2H])CC2)c(C([2H])([2H])[2H])c1[2H]"]
["192943490","[2H]C([2H])([2H])Oc1cc(C([2H])([2H])CCC([2H])([2H])C(O)C([2H])([2H])Oc2cccc(C)c2)ccc1OC"]
["179939214","C=C(NC1=CC=C(NC(C)N)CC1)c1cc2c3c(ccc2[nH]1)N(OP(N)(=O)CCC(CC)CCC)CC3"]
["75738368","[2H]c1c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])NC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1CCOCC1CC1"]
["140924226","CCOc1ccc(C=CC(O)=NC(COC)c2ccc(F)c(F)c2)cc1OC"]
["19986204","CC[C@@H](Sc1nc(O)cc(COC)n1)C(O)=Nc1ccc(OC)c(OC)c1"]
["139038476","COc1cccc(COc2cccc(N=C(O)C(C)N=C(O)C(C)(C)C)c2C)c1"]
["192612652","[2H]c1c([2H])c(C)c([2H])c(OCC(O)C([2H])([2H])CCC([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c1[2H]"]
["178573479","CNC1NC(I=NCN[C@H]2[CH-][CH-]CC3NC(N2)C2(C4CCCCC4)CCC[I]CCCC[C@]3(NC)[I]CC2)NC(C2CCCCC2)N1"]
["160898296","CN(C)c1nc(CNC2CCCCC23CCCC3)nc(=N)[nH]1"]
["34202973","CC(C)[C@H]1CNCCN1C(O)=N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(O)=NC(C)(C)C)(C2CCCCC2)CC1"]
["86550668","CC1(C)CCCCC1NCC1CCCS1(=O)=O"]
["64221435","CCCCCCCCCCC1(C2(C(=O)OC)CCCCC2)CCC(C2CCCCC2)CC1"]
["188796801","CN[C@H]1[C@H]2CCCCC[C@]1(C)c1cc(O)ccc1C2"]
["160822880","O=S1(=O)CCN(C(O)=NCCOCC2CCCC2)CC12CCCCC2"]
["182880608","CCNC1CCCCC1(OS(=O)(=O)[O-])C1CCCC1"]
["56587239","COCCN1CC(C2CCCCC2)NCC1(C)C"]
["179863028","CC1(O)CCCC(C2CCCCCCCCCC2)CCCC(C23CC4CC(CC(C4)C2)C3)CCC1"]
["61002710","CCCN1CC(C2CCCCC2)NCC1(C)C"]
["59150101","CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCCCN3CCCC3=O)C2)C1=O"]
["164511416","N=C1C=C(N)/C2=N/C3=C(N)CC([NH-])/C(=N/c4c/c(c(N)[c+]c4=N)=N\\C4=CC(=C(N)C[C-]4N)/N=C/1[CH+]2)C3"]
["88848137","Cc1ccc2c(c1)=C/C(=C1/NN=C(C(O)CCN)O1)N=2"]
["107812373","C[C@H](N)C1=NNC(=C2C=c3cc(Cl)ccc3=N2)O1"]
["12198353","Cc1ccc(C)c(N=C(O)CCS(=O)(=O)c2ccc3c(c2)N=C(O)[C@H](C)CS3)c1"]
["175810944","[B+]C1CC(O)=NC(=O)C1([B+])N1C(=O)[C-]2C(=[C-]C(=[B+])C=C2N)[N-]C1C"]
["193282021","COc1cc2c(cc1-c1cc3nnn(C4CC(C)(C)NC(C)(C)C4)c3nn1)N=C(C)C2"]
["69303165","Cc1ccc(N=C(O)CCS(=O)(=O)c2ccc3c(c2)N=C(O)CC(C)S3)c(Br)c1"]
["33618175","N=C1N=C2CCCCC2C2(N1)C(O)=Nc1ccccc12"]
["MCULE-2867196741","COc1ccc(C)c(-c2c(C(C)C)nn3c(N)c4c(nc23)CCSC4)c1"]
["119874730","CC1=C/C(=C2\\N=c3cc(Cl)cc(N)c3=N2)NO1"]
["168629226","N=C1C=C(N)C2=NC3=CC(=C(Nc4ccc(C(F)(F)F)cc4)C[C+]3Nc3ccc(C(F)(F)F)cc3)N=C3[CH+]C(=NC4=C(Nc5ccc(C(F)(F)F)cc5)CC(Nc5ccc(C(F)(F)F)cc5)C(=NC1=C2)C4)C(N)=CC3=N"]
["69459663","COc1ccc(OC)c(N=C(O)CCS(=O)(=O)c2ccc3c(c2)N=C(O)C(C)CS3)c1"]
["61029923","CC1=C(C)C([Si+](CCl)CC[Si-](CCl)C2C(C)=C(C)C(C)=C2C)C(C)=C1C"]
["9423478","Cc1cc(C)cc(OCC(=O)N2CCC(N=C(O)CC3CCCC3)CC2)c1"]
["MCULE-7689296383","CCc1nn(-c2cncc(OC)c2C)cc1CCl"]
["173526882","CC1=C(C)C([Si](c2cc([Si](C)(C)C)c([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)(c2cc([Si](C)(C)C)c([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)c2cc([Si](C)(C)C)c([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)C(C)=C1C"]
["105149405","CCCN1CC[C@@H](CNC(=O)c2cc(CCl)c(C)o2)C1"]
["171566228","CCc1cc(CC)cc([Si](CC2=C(C)C(C)=C(C)C2C)c2cc(CC)cc(CC)c2)c1"]
["97632962","CC1=C(C)C(SC(C)(C)C)C(C)=C1C"]
["42197220","CCNCC1CCCN(Cc2ncon2)C1"]
["56011396","Cc1c(Cl)nnc(N(CC2CC2)C(C)C)c1C"]
["88601023","Cc1nn(C)cc1C(Cl)C(O)=NC1CC1"]
["150490196","CC1=C(C)C2C(C)=C(C)[C@@H]([Si](C)(C)[C@H]3C(C)=C(C)C4C(C)=C(C)C(C)=C(C)C43)C2C(C)=C1C"]
["134975200","CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(O)=NCCC1CC1"]
["60654753","C=C[Si-]=[O+][Si](C=C)=[O+][Si-](C=C)[O+]=[Si-]C=C"]
["64607576","C[Si](/C=C/C(C)(C)C)=[O+][Si-](C)/C=C/C(C)(C)C"]
["171149215","C=C[O+]=[Si-]CC(OC)OC"]
["99438259","C=C[Si-]=[O+]C(CCC)(CCC)CCC"]
["197775170","C=CCC(C[Si])CC=C"]
["172244381","C=C[O+](C)[Si-](C)C=C.C=C[O+](C)[Si][O+]=[Si-].C=C[Si-]C"]
["99627234","C=C[Si](CO)[O+]=[Si-]CO"]
["171281923","C=C[Si-]=[O+]C(=C([Si](C)(C)OC)[Si](C)(C)OC)C1(C)C=C(C)C(C)(C)C(C)(C)C1(C)C"]
["53314116","C=C[Si-]=[O+]C(=C)C"]
["79282524","C=CC[NH+]1CCSC1=S"]
["64241951","C=C[Si](=O)[Si]#[Si-]"]
["99251677","C=C[Si-]=[O+][Si](OCC)(OCC)OCC"]
["184250767","[CH2-][N+]1=C[N-][C@H]2C=N[I+]NC21"]
["107657239","O=C(O)[C@H]1CCN[C@@H]1Cc1cncnc1"]
["83064786","CN1C=NC2C1C(O)=NC(=O)N2C.[CH2-]N1C(=O)N=C(O)C2C1[N-]C=[N+]2[CH2-].[Ca+2]"]
["199516810","Cc1oncc1-c1nc[nH]n1"]
["175259345","NC1C=NNN1"]
["96602396","SC1=NC2(S)ON=CC2C=NN1"]
["75829125","S=C=C1C=CN=N1"]
["107657240","O=C(O)[C@H]1CCN[C@H]1Cc1cncnc1"]
["82564282","[CH2-][N+]1=C[N-]C2C1C(O)=NC(=O)N2C.[K+]"]
["44536491","N=C1NP(c2ccccc2)(c2ccccc2)=Nc2ccccc21"]
["61940976","NC1C=CNN=C1"]
["175908229","[B+]=NC1=NC([O-])[N-]C=C1F"]
["189151878","O=Nc1cc(N=O)cc(-c2c(O)cc(N=O)cc2N=O)c1"]
["119857510","CCCN(C1=CN/C(=C(/N)N=O)C=C1)C(C)C"]
["74658029","O=Nc1ccc(Cl)c(OCCCl)c1"]
["149045925","CC#Cc1cc(N/C(N=O)=C2\\C=CNc3[nH]cnc32)ccc1F"]
["103305380","Cc1ccc(C(O)=N[C@@H]2CCOC2=O)cc1O"]
["762200","O=C(O)c1cc(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)ccc1O"]
["54692710","Br.CC1NCCc2cc(O)c(O)cc21.O=NO"]
["61423907","CCC(C)C(O)=Nc1ccc(C)c(O)c1"]
["29235842","Cc1ccc(N=C(O)NS(=O)(=O)c2cc(O)ccc2C)cc1N=C(O)NS(=O)(=O)c1cc(O)ccc1C"]
["11346044","O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Br)ccc1O"]
["178432424","CC(=O)c1cc(N=O)ccc1C"]
["180473209","N=c1nc2nc(-c3ccc(O)c(O)c3)c(-c3ccc(N=O)c(O)c3)nc2c(N)[nH]1"]
["184004505","N=CC(=C[CH+][C+](C=N)C(=O)C(=O)[O-])C(=O)C(=O)[O-]"]
["175205922","CC(O)CC(=O)C=N"]
["63342278","C=C.C=CC(=O)[O-]"]
["161717898","O=C([O-])C(=O)[O-].O=c1oooc1=O.[Mg+2]"]
["171754024","C=C(C)C(=O)[O-].C=C1C=C[C](F)C=C1.[Sn+]"]
["1103907","O=C([O-])C(=O)C(O)C(=O)[O-]"]
["50793464","CC(C)COC(=O)C=CC(=O)[O-].CC(C)COC(=O)C=CC(=O)[O-].[Zn+2]"]
["173991562","CCOC(=O)C(C=NC=O)=CO"]
["68888869","C=C(C)C(=O)[O-].C=CC(=O)[O-].[K+]"]
["76423880","CCOC=CC=C(C(=O)[O-])C(=O)[O-]"]
["53967257","[2H]C(C)(C)C(=O)[O-].[K+]"]
["25783470","C=C[C+](C)C(=O)[O-]"]
["173767994","CC(C)C(C)(C)O[B]C(C)(C)C(C)(N)OPC(C)(C)C(C)C"]
["90975814","COC(=O)C(N)(CO)C(C)C.Cl"]
["63601077","CC(CO)CSC(C)CC(C)(N)C(=N)O"]
["157800895","COC(C)(C)[C@H](C)N1C[C@@H](C)[C@H](N)C1"]
["57740640","CC(C)[C@](N)(C(=N)O)C(=O)O"]
["114335294","CC(C)C(CN)CNCC(=O)OC(C)(C)C"]
["175825850","CC(C)C(C)(C)O[B]c1ccc2ccc3cc(C(C)(C)C)cc4ccc1c2c34"]
["MCULE-1333970629","CC(CCF)C(C)(C)N"]
["88666234","CCCNCC(C)(Cc1ccc(F)cc1Cl)C(C)C"]
["56726494","CC(N)C(C)(C)N.[Li+]"]
["33987772","CC(C)[C@H](N)[C@@H](O)C(F)(F)C(=N)O"]
["81338927","CC(C)C(N)(C(=N)O)C(=O)Oc1ccc(F)cc1"]
["195846070","C=NC1(N=C)OC(N)(C(C)(N)C2(N)OC3(N=C)N=NC3(N)C2(N)N)C(N)(I)C1(N)N"]
["178302568","C=NC12C=CC(C)(O1)C(C)C2C"]
["162778487","CC(C)(C)N=C(O)[C@@H]1CNCCO1.Cl"]
["92702200","CC(C)(CO)N=C(O)C1(N)CCOCC1"]
["113041614","CN(C)CC(C)(O)CN=C(O)C1(N)C2CCOC2C1(C)C"]
["180204988","CC(C)(C)OC(O)=NC1(N)C=CC(C)(C)OC1"]
["142860754","Cc1ccc(C(C)(O)CN=C(O)C=Cc2cncc(F)c2)o1"]
["162601785","C=C[C@@](C)(N)c1nccnc1C"]
["161026143","CC(C)C1CCN1C(O)=NCC(C)(C)C1(O)CCOCC1"]
["23741582","CC(C)(C)c1nnc(N=C(O)C2C(C(=O)O)C2(C)C)s1"]
["178493121","Cc1c(I)oc2c(Nn3c(=S)nc([NH3+])c4sc(I)nc43)[n-]c(=S)[nH+]c12"]
["163591604","C=CC1CC(N=C(O)OC(C)(C)C)CC(N)(C=O)C1"]
["195769479","NC1=C(N)C2(N)C3(N)C(N)=C(N)C(N)(C3(N)N)C2(N)C1(N)N"]
["195920582","CCC(OC)C(N)(NI)C1(C)CNC2(N)C(N)(N)C(N)=C(N)C(N)(N)C12N"]
["175173117","NC1=C(N)C(N)(N)C(N)(N)C(N)(N)C1N"]
["172319540","NN1C(N)(N)C2=CC=CC(N)(N)C2(N)C(N)(N)C1(N)N"]
["186531903","CC1=C(N)C(C)(N)NO1"]
["175305356","CN1C(N)=C(N)C(N)(N)C1(N)C(=O)ON"]
["78849208","CC[C@]1(N)C[C@H]1c1ccc(N)cc1.Cl.Cl"]
["187112494","NC1OC1(N)Cn1c(=O)n(CC2(N)OC2N)c(=O)n(CC2(N)OC2N)c1=O"]
["145601213","Nc1cccc(N)c1CCCBr"]
["107659325","NC1(c2coc3ccc(Cl)cc23)CC1"]
["183966697","NNC1(N)NC=CC=C1N"]
["185409161","NC1=CC=CC(N)(N=C(O)c2ccccc2)C1"]
["33229670","OC12C3C4C5C6C3C3(Br)C1C1C7C3C6(O)C3(Br)C5C5C4C2(Br)C1C5(Br)C73"]
["151536150","OC12C3[C@@H]4[C@@H]5C6C7C8[C@@H]5[C@@H]3[C@H]3C1[C@H]1[C@@H](C7[C@@H]5[C@@H]6[C@@H]4C2[C@@H]51)[C@H]83"]
["109642604","Br[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]3[C@@H]([C@@H]([C@@H]41)C51OCCO1)C21OCCO1"]
["110787276","BrC1(Br)[C@@H]2[C@@H]3C=C[C@@H]4C3C([C@H]21)[C@@H]1[C@H]4C1(Br)Br"]
["27217505","O[C@]1(c2c(F)c(F)c(F)c(F)c2F)C2C3CC4C5C3C1[C@](O)(C42)[C@H]5Br"]
["97636709","OC1(C2(Br)CC2CBr)C=CCC1"]
["90777790","CC(=O)OC12C3C4C5C1C1(Br)C6C7C8C(C62Br)C3(Br)C2(OC(C)=O)C8C3(Br)C7C1(OC(C)=O)C5C3(OC(C)=O)C42"]
["151337943","C[C@H](O)[C@]12[C@@H]3[C@@H]4[C@H]5[C@@H]1[C@@H]2[C@@](Br)([C@@H]43)C51OCCO1"]
["27125772","O=CC12C3C4C3C1C42"]
["47429312","COC(=O)[C@@]12[C@@H]3C4C5[C@@H]6[C@@H]7[C@@H]([C@H]8C9C%10[C@@H]%11[C@@](Br)([C@H]4[C@@]6(C(=O)OC)[C@]%11(OC)[C@@H]97)[C@]3(Br)[C@H]%10[C@]81OC)[C@H]52"]
["154238524","O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@H]2[C@H]3C[C@H]4[C@H]5[C@H]3[C@H]1[C@](O)([C@H]42)[C@H]5Br"]
["47914004","COC12[C@H]3[C@@H]4[C@@H]5[C@@H]6C7(OC)[C@H]4[C@@]4(Br)[C@@H]8[C@H]9[C@H]%10[C@H](C1(Br)[C@H]9[C@@]34O)[C@](O)([C@@H]52)[C@@]6(Br)[C@@H]%10C87Br"]
["172089011","Cc1ccc(P2c3cc(C)ccc3[N-]c3ccc(C)cc3[PH+](c3ccc(C)cc3)c3cc(C)ccc3[NH2+]c3ccc(C)cc32)cc1.[Cu+2].[NH2-]"]
["172088823","C[Si](C)(C)P1c2ccccc2[N-]c2ccccc2[PH+]([Si](C)(C)C)c2ccccc2[NH2+]c2ccccc21.[Cu+2].[NH2-]"]
["138302614","Cc1ccc(-c2n[nH]cc2C2Nc3ccc(C)cc3C(=O)N2C)cc1"]
["100263599","CNc1ccc(C)cc1[B-](C)(C)F"]
["178746255","CNc1ccc(C)cc1/C=C\\C(C)C"]
["127772903","Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)n(C(C)(C)C)n1"]
["106852619","Cc1ccc(C)c([C@@H](O)[C@@H](CCC(=O)O)NC(C)C)c1"]
["101093651","Cc1ccc2c(c1)P(c1ccccc1P1c3cc(C)ccc3Oc3ccc(C)cc31)c1cc(C)ccc1O2"]
["8242619","Cc1ccc(Cn2nc(C)c(C(O)=Nc3cc(Cl)ccc3Sc3ccc(C)cc3C)c2Cl)cc1"]
["48777711","CNCC(C)(C)CN1CCCc2cc(C)ccc21"]
["164130576","Cc1ccn2c(=O)cc(COC3CCCc4c[nH]nc43)nc2c1"]
["951437","CC[n+]1c(C)sc2cc(C)ccc21"]
["176016580","[NH-]c1c(N=[Se])c(=c2ccc(=c3ccc(=C[O])s3)s2)ccc1=c1ccc(=C2C=CC(C=O)=[S+]2)s1"]
["55759874","CCCCCCc1cc(=C[O])sc1=c1ccc(=c2ccc(=c3sc(=C4C=CC=C4)cc3CCCCCC)s2)s1"]
["147843399","CC1=C[C]2C=c3cc(C)c(=C4C=CC=[S+]4)n3[B-](F)(F)N2C1=c1ccc(=C2C=CC=[S+]2)s1"]
["43709613","CCCNC(C)c1sc(Cc2ccc(C)cc2)nc1C"]
["172193952","NC(=[NH2+])NN=Cc1ccc(C=O)s1"]
["184717342","CCc1cccnc1C1=C(C=O)C=CCC=N1"]
["MCULE-9220441851","CCC(C)(N=C(O)c1c(Cl)ccc(Cl)c1Cl)C(O)=NCC(c1ccc(Cl)cc1)N(C)C"]
["174341414","CC/C(=C\\c1c(C)ccc(Cl)c1Cl)C(O)=NC(C)c1ccc(CC(=O)O)cc1"]
["174827067","CC.CCCS(C)=C=c1ccc(=c2ccc(=c3cc(-c4ccc(-c5ccc(C#CS(C)(C)C)s5)s4)sc3=c3sc(=C4C=C[C-](C5=C=CC(C#CS(C)(C)C)S5)S4)cc3-c3ccc(-c4ccc(C#CS(C)(C)C)s4)s3)s2)s1"]
["100594218","Cc1c(Cl)ccc2c(OCC=O)ccnc12"]
["168219451","Oc1nc(O)c(/C=c2\\ccc(=C3N=c4cc(Cl)c(Cl)cc4=N3)s2)s1"]
["24153940","Cc1c(Cl)ccc2c(C=O)ccnc12"]
["23804182","CB1BB2CB2B(C)B1C.ClP1(Cl)=[N+]P2(=NP3(=[N+]1)OC1B4B5B6B(B7B4[B-]567)C1O3)OC1B3B4B5B(B6B3[B-]456)C1O2"]
["94261778","CN(c1cccnc1N)C1CCOC1"]
["1870654","Cc1ccc(N=C(O)[C@@H]2CCOC2)cc1S(=O)(=O)Nc1ccccc1"]
["59803141","NC(=O)c1cc(-c2csc(N=C(O)C3Cc4ccccc4CN3C(=O)c3ccco3)n2)c[nH]1"]
["199315725","C[C@@H]1COc2nc(C(F)F)cnc2C(=O)N1C1CC2(C1)CN(S(=O)(=O)c1ccccc1F)C2"]
["199059003","C[C@@H]1COC[C@@](CO)(CN=c2nc[nH]cc2C#N)N1Cc1ccccc1"]
["CSSS20621714199","C[C@H]1CS(=O)(=O)C[C@H]1NC1CCc2c(Cl)ccnc21"]
["74699133","CN(C)C(=O)C1(N(CCOC2CCCCO2)S(=O)(=O)c2ccc3c(N(Cl)C(=N)N)cncc3c2)CCCC1"]
["143262066","Cc1ccc(N=C(O)C2CCOC2)cc1S(=O)(=O)Nc1ccccc1"]
["95462545","CC[C@@H](N)c1ccc(SC2COC2)cn1"]
["131565821","Cc1ccc(N=C(O)C2CCCOC2)cc1S(=O)(=O)Nc1ccccc1"]
["182306513","CN=c1[nH]cnc2c(C3OCC(O)C3(C)O)coc12"]
["110890128","CC(C)C1=[C-]C(C(C)C)C=C(C(C)C)C1=[Si](c1c(C(C)C)cc(C(C)C)cc1C(C)C)[Si](=[GeH+])c1c(C(C)C)cc(C(C)C)cc1C(C)C"]
["12688492","CCCn1c(-c2ccc(C[NH3+])cc2)nc2cc(C(C)C)ccc21"]
["87295234","Cc1ccc2c(c1)C(Nc1ccc(C(C)C)cc1)CC2"]
["190952381","CC1Oc2ccc3ccccc3c2/C1=N\\OS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C"]
["91715743","CC(C)c1cc(C(C)(C)C)cc(C(C)(C)O)c1"]
["131628402","CC(O)=Nc1cc(C(O)=Nc2ccc(C(C)C)cc2C(C)C)ccc1F"]
["147963381","CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCC(N)C2)c(C(C)C)c1"]
["MCULE-9854277326","Cc1nn2c(O)cc(-c3ccc(C(C)C)cc3)nc2c1C"]
["47919048","CC(C)c1ccc(O)cc1Cl"]
["139726893","CC(C)c1ccc(N=C(O)c2cc(N3CCN=C3O)ccc2F)c(C(C)C)c1"]
["101156692","CC(C)c1cc(C(C)C)c(C(=O)Oc2ccccc2)c(C(C)C)c1"]
["97425098","CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[Ge](O)(O)O)c(C(C)C)c1"]
["78199989","N#C/C=C1\\c2cscc2C=Nc2cscc21"]
["42480689","CC(=O)N1C(=O)/C(=C\\C#N)c2ccccc21"]
["113356003","Cc1cscc1C(N)c1c(Br)nnn1C"]
["180235891","Cc1cscc1-c1cnc(I)c(Cl)c1"]
["155249168","N#Cc1nc(Cl)cc2nc(-c3csc4c3CCOC4)[nH]c12"]
["MCULE-4299635543","N#Cc1c(F)cccc1-c1c(N=C(O)c2ccc(F)cn2)ccc(F)c1F"]
["74113437","CC1C=C(C#N)N=CC1[N+](=O)[O-]"]
["170019037","O=C1C2=C(I)SCC2C(=O)c2cscc21"]
["85316745","Cc1cscc1-c1nc(Cl)c2cc(Cl)cc(Cl)c2n1"]
["79290751","C1=N\\c2ccccc2SCc2ccccc2/1"]
["101121274","CC1=CS/C(=C\\C#N)N1C"]
["109391184","N#CS[C@@H]1CSC(SC2=N[C@H](SC#N)CS2)=N1"]
["193078574","c1cc2ccc3ccc4[n+]5c3c2[n+](c1)C5[n+]1ccnc2c3c5c(ncc[n+]5C56[n+]7ccnc8cc9nccnc9c(c87)-c7ccc8ccc9ccc-3[n+]5c9c8[n+]76)c-4c21"]
["MCULE-6296625063","COC(C(O)=Nc1ccc2nccnc2c1-c1cc(F)ccc1F)c1ccccc1"]
["MCULE-6970794238","N=C(O)c1cccc(-c2c(N=C(O)Cc3ccc4c(c3)CCO4)ccc3nccnc23)c1"]
["MCULE-6882441177","COc1cc(-c2c(NC(=O)c3nn(C)c4ccccc34)ccc3nccnc23)cc(OC)c1OC"]
["MCULE-5710626755","COCc1ccccc1-c1c(N=C(O)CCC(=O)c2ccccc2)ccc2nccnc12"]
["MCULE-3879713375","Cc1nc(C(O)=Nc2ccc3nccnc3c2-c2ccc(F)nc2)cs1"]
["169762949","CC1CCN1c1nc(N2C[C@@H]3C(CC(=O)O)[C@@H]3C2)cc2nccnc12"]
["MCULE-3048924174","COc1cc(OC)cc(C(O)=Nc2ccc3nccnc3c2-c2cnc(N(C)C)nc2)c1"]
["MCULE-1062745918","N=C(O)c1cccc(-c2c(N=C(O)CCC(=O)c3ccccc3)ccc3nccnc23)c1"]
["MCULE-1242717485","Cc1nc(C(O)=Nc2ccc3nccnc3c2-c2c(F)cccc2F)co1"]
["MCULE-8534375129","CCOc1ccc(-c2c(N=C(O)C3CCc4ccccc4O3)ccc3nccnc23)c(F)c1"]
["MCULE-4340585696","COc1ccc(-c2c(NC(=O)C3CCc4ccccc4O3)ccc3nccnc23)c(OC)c1OC"]
["176125375","[BH]C1=c2nc(P)sc2=C=C2[N-]C(I)=S=C21.[W]"]
["68614205","Cc1cc(I)cc(/C=C2/SC(=S)N=C2O)c1O"]
["6321977","Cc1ccc([NH+]=C([O-])C(=O)c2sc([S-])nc2[O-])cc1"]
["107499751","Cc1nc2c(s1)-c1cccc(C)c1NC2"]
["49298166","CC(C)[Si](c1nc(I)c(-c2sc([Si](C(C)C)(C(C)C)C(C)C)nc2I)s1)(C(C)C)C(C)C"]
["172046040","[CH2-]CCCC1=C=C(C(C)C)[N-]C(C(C)C)=N1.[Y]"]
["176125363","[B+]=c1c2c(cc3sc(P)nc13)[N-]C(I)=S=2"]
["42032046","Cc1sc(P)nc1O"]
["69911407","CCC1=C2N=c3sc(C)nc3=C2CC=C1"]
["175262560","CCc1nc(P)sc1O"]
["193062210","Cc1nc(P)sc1C.Cc1nc(P)sc1C"]
["174134906","[B+]=c1c2c(c(=[B+])c3sc(P)nc13)[N-][C-](I)S2"]
["51255158","ClC1C2C3C4C15C(Cl)C(Cl)(Cl)C4(Cl)C3(Cl)C25Cl"]
["108977704","OC[C@@H]1[C@@H](CO)[C@@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@]1(Cl)C2(Cl)Cl"]
["110482059","ClC1[C@@H](Cl)[C@H](Cl)C(Cl)(Cl)[C@@H](Cl)[C@@H]1Cl"]
["99862101","ClC1C=CC2C1[C@]1(Cl)C(Cl)C(Cl)[C@@]2(Cl)C1(Cl)Cl"]
["185682395","CCC1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl"]
["162679875","Cl[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(Cl)C3"]
["185490688","OC1(F)C(Cl)C(Cl)(Cl)C(F)(Cl)C(F)(F)C1(F)F"]
["76250478","Clc1c(Cl)c(Cl)c2c(c1Cl)C1CC2C2C1C1(Cl)C(Cl)C(Cl)C2(Cl)C1(Cl)Cl"]
["75437444","O=S(=O)(O)C1(Cl)C=CC=CC1Cl"]
["47803151","CN1C(Cl)C(Cl)C(Cl)(Cl)C1(Cl)C(=O)O"]
["111026258","ClC1(Cl)[C@]2(Cl)[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@@]1(Cl)[C@]5(Cl)[C@@]42Cl"]
["145495187","CCC1(C(C)C(F)(F)F)C(Cl)C1(Cl)Cl"]
["179308388","C1=C[CH-][NH2+]C2=[N+]C=CC=12.[Al]"]
["175543376","NC1=C=C[CH-]N1.[Y]"]
["26848557","SN1[N]C2=C=CC=CC2=N1"]
["57798915","C1=C[CH-]OC=1C1=C=C[CH-]O1.[Y]"]
["172080712","[Cl+]=C1C=C=C(Br)C=C1"]
["99369784","Br.C=C1C=C=C(F)[CH-]C1F.[Zn]"]
["57079339","CC1=C=C(C2=C=C[CH-]O2)S[C-]1C.[Y]"]
["73562654","C1=CC(c2ccccc2)=C(c2ccccc2)N=[N+]1"]
["68524570","C1=C[CH-][CH-]C2=CC=CC=12.[U].[V]"]
["76233397","FC1=C=C2C=CC=C=C2C(F)=C1F"]
["79327192","C1=CC=CC2=C3C=C[CH-][CH]C3=CC=12.[Na+]"]
["179031041","c1c2ccccc2c2ccccc2[n+]#1"]
["33751091","C[Si](C)(C)c1cocc1-c1cocc1-c1cocc1-c1cocc1B1OB(c2cocc2-c2cocc2-c2cocc2-c2cocc2[Si](C)(C)C)OB(c2cocc2-c2cocc2-c2cocc2-c2cocc2[Si](C)(C)C)O1"]
["3714855","Cc1ccc(-c2nc(CSc3n[nH]c(-c4ccccc4)n3)co2)c(C)c1"]
["91107657","CC1=CCOCc2cocc21"]
["173527407","CC1=C(C)C([Si](c2ccc([Si](C)(C)C)c(C)c2C)(c2ccc([Si](C)(C)C)c(C)c2C)c2ccc([Si](C)(C)C)c(C)c2C)C(C)=C1C"]
["162661716","CCC(N)C(=O)c1cocc1C"]
["173825085","CC.Cc1ccc2cocc2n1"]
["1852732","Cc1ccc(-c2nc(CS(=O)(=O)C[C@H]3CCCO3)co2)c(C)c1"]
["162796909","N[C@@H](CO)c1cocc1O"]
["1149845","CCOc1ccccc1-c1nc(CNCc2ccc(C)o2)co1"]
["107526681","O=C1CNc2cocc21"]
["178412834","CC1=CON=C(O)C=C1C"]
["24857482","C[Si](C)(C)c1ccoc1"]
["79648608","C1=CC=C=C2C=1[C+]=c1c3c4c(c5cc#ccc15)=C[C-]=C=C4C=C=C23"]
["79925316","C1=C[C-]=C([C]2C3=C=C4[C+]=C2c2cc4cc3c2)CC=1"]
["195307466","C1=CC=C=C(N(C2=[C+]C(N(C3=C=CC(OC4=C=C(N(C5=C=CCC=[C-]5)c5ccccc5)C=C(n5c6ccccc6c6ccccc65)C4)=C=N3)c3ccccc3)=CC(n3c4ccccc4c4ccccc43)=C2)c2ccccc2)C=1.[Ga].[Ga]"]
["144581386","Cc1cc(F)c(C2=C=CC=C(Cl)[C]2F)c(F)c1"]
["173618544","CNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(=N)[n-]c12"]
["24959572","FC1=C=C2C=C=C1c1ccc2c(F)c1F"]
["172073456","CCNCC1=C=CC(Br)=[C-][CH-]1.[Y]"]
["97518686","O=c1c2cc#ccc12"]
["198585872","CC1=C=CC(N)=[C-][N-]1.[Rb+].[Re]"]
["50697272","CC1=CC2C(=C[C-]1Br)C1=C=CC=C=C1c1nc(C)c(-c3c(C)cccc3C)n12.[Ir]"]
["180072163","Cn1c(=O)c2c(c3cc#ccc3c1=O)=C=C=CC=2"]
["184215070","CNCc1ccc(COC(=N)O)c2cc#ccc12"]
["195468489","NC1OC(N)(CP[C@H]2[C@@H](N)C(N)OC2(N)CN[C@H]2[C@@H](N)C(N)OC2(N)CP)[C@@H](P)[C@H]1N"]
["174246941","CCC1(N)OCC(N)(O)C(C)[C@@H]1P"]
["195608884","CC1(CCPC[C@H]2[C@@H](N)C(N)OC2(C)CN=O)OC(N)[C@H](N)[C@@H]1P"]
["195313770","CCC1(N)OC(N)[C@H](N)[C@@H]1P"]
["47438476","COPC[C@H](C)[C@@H](C)/C=C\\C(C)[C@H]1OC(C)(C)O[C@H]1CC=O"]
["190809639","NC1OC(N)(N)C(N)C1N"]
["172560491","NC1OC1(N)CNCC1CCCC(CNCC2(N)OC2N)C1"]
["195933723","NCC1OSC(N)C2C(P)C12N"]
["179279341","NOC[C@]12CO[C@@H](C1ON)[C@H](N)O2"]
["195591225","NCC1OCC(N)C(P[C@@H]2OC(CN)C3(N)C(N)C3C2N)[C@H]1N"]
["81606260","COPCC(C)C(C)C=CC(C)C1OC(C)(C)OC1CC=O"]
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["82730335","CC1CCN(C2C(C)C3C(C(O)=NC(=O)N3C3CC3)C(C(F)F)C2F)CC1O"]
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["178995262","CC1C2C3C(C)C(C)(C3(C)C)C2(C)C1(C)C"]
["178587855","CC1C2C3C(C)C4(C)C(C)C(C)C5(C)C(C)C1(C)C3(C)C245"]
["110927115","C1=C\\C=c2\\scn\\c2=c2/scn/c2=C/1"]
["724064","O=C(O)c1ncsc1-c1ccccc1"]
["163129122","Cc1nc(-c2ncsc2C)oc1CN"]
["158059002","CO[C@H](C)c1ncsc1N"]
["176945387","C#Cc1scnc1Cl"]
["190373190","CC(=O)c1cc2ncsc2n1C"]
["111762611","COCCOCCCOc1ccc2scnc2c1N"]
["100401321","C#Cc1ncsc1C"]
["44857314","C#Cc1scnc1CO"]
["178619535","CC1(C)C=Cc2ncsc2C1"]
["183783465","COc1scnc1N=[N+]=[N-]"]
["104706404","Cc1ncsc1[C@@H](C)N[C@@H](c1ccccc1)C(C)C"]
["195427229","C=[N+]([N-]C1CO1)ONO[N-][N+](=C)C1CO1"]
["180351973","C=[N+](F)C1COC[C@@H]1OCC"]
["74834619","O=C(O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]"]
["82970673","O.O=[N+]([O-])OC1COC2C([O-])COC12.[Na+]"]
["17763976","O=C([O-])[C@@H]1O[C@@H](O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O"]
["44474929","O=C1CCC(CCOCCOCCC2CCC(=O)OC2)CO1"]
["162692354","CC(C)NC1OC[C@@H](O)[C@H](O)[C@H]1O"]
["170820800","C=C(C)C/C(=C\\C=C(/C)N(CC1CO1)CC1CO1)N(C)c1ccc(N(C)c2ccc(N(C)c3ccc(N(CC4CO4)CC4CO4)cc3)cc2)cc1"]
["63466442","COC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)OC"]
["178302133","O=C(O)/C=C\\C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)/C=C\\C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)/C=C\\C(=O)O"]
["195696986","C=CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2C"]
["198620974","C=CO[C@@H]1CO1"]
["70381425","CCC1=C(CC)C(C=C2N=C(C=C3N=C(c4nc([O-])c(CC)c(CC)c4[O-])C(CC)=C3CC)C(CC)=C2CC)=NC1=O.[Pd+2]"]
["147844378","CCCCCC1=C(C)C(Br)=N/C1=C\\c1[nH]c(Br)c(C)c1CCCCC"]
["16111415","CCc1c([O-])nc(SCC(=O)N(CC)CC)n(-c2ccccc2F)c1=O"]
["167053724","CCc1nc(CNS(=O)(=O)c2ccc(C(=O)O)nc2)cs1"]
["7746702","CCc1nc(Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cs1"]
["76972635","CCCC1=C(CC)C(C=c2[nH]c(=Cc3[nH]c(C=C4N=C(OC)C(CCC)=C4CC)c(C)c3CC)c(CC)c2C)=NC1=O"]
["81942351","CCC(C=C1CC(O)=NC1=O)CC"]
["52681762","CCc1c([O-])n([C@@H](C)CC)c(SCC(=O)N(CC)CC)nc1=O"]
["190018390","CCC1=C(CC)/C(=C/C(C)N)N=C1C"]
["108956191","C=CC1=C(C)C(C=c2[nH]/c(=C/c3[nH]c(/C=C4/N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)OC)c(CCC(=O)OC)c2C)=NC1=O"]
["2429985","CCc1c([O-])nc(SCC(=O)N(CC)CC)n([C@@H](C)CC)c1=O"]
["312651","CCc1c(C)nc(O)c(N(C)C)c1C(=O)c1cc(Br)cs1"]
["75900071","C=COP1(OC=C)=NP2(OC=C)(OC=C)CCON2P2(OC=C)(OC=C)CCON12"]
["197630906","C=CCOC(=O)N1C[C@H]2CCOC[C@@]2(C(=O)O)C1"]
["63213543","C=COC(=O)c1ccc(C(=O)OC=C)nc1"]
["175255210","C=COC(=O)c1c(C(=O)O)cccc1N1CCCC1=O"]
["55580837","C=C/C=C(\\O[Si](C)(C)C)N1C(C)(C)CC2(CC1(C)C)OCCO2"]
["174352565","C=Cc1c(N(CC2CCOCC2)CC2CC2)c(CC)nn1/C(C)=C\\C"]
["74174598","C=COP1(=O)OC(F)(F)C(F)(F)O1"]
["75532008","C=COC1CC[C@@H]2C(C)(C)CCC[C@@]2(C)c2c1oc1c(C)c(O)c(O)cc21"]
["74939717","C=COC=C.C=COP1(=O)OC(F)(F)C(F)(F)O1"]
["176070614","C=CC1=C(C=C)N(C(C)=O)C(C)CN1"]
["65362660","C=C[C@H](O)C#CC#CC[C@H]1OC(C)(C)O[C@@H]1C"]
["51666487","C=C[C@@H](O)C#CC#CC[C@H]1OC(C)(C)O[C@@H]1C"]
["103030861","C(=Nc1ccc(CC#[N+]C2=CC=C[CH-]N2)cc1)=NC1[C-]=CC=CN1"]
["153582142","CC(O)=Nc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](c2ccccc2)CN3)cc1"]
["182811153","C#CCc1ccc(N=[N+]=[N-])cc1"]
["132178249","CC1(C)C(O)CC1NC(=O)C(O)=Nc1ccc(CC#N)cc1"]
["197185760","N#CCc1ccc(COC2CNC2)cc1"]
["75849709","N=C=O.N=C=O.O=C=Nc1ccc(CC(Cc2ccc(N=C=O)cc2)(c2ccccc2)c2ccccc2)cc1"]
["169955833","O=C(O)CCc1cccc(Oc2nc3cc(C#Cc4ccc(CO)cc4)c(Cl)cc3[nH]2)c1"]
["MCULE-2030836104","CC(O)=NCC1CC1c1ccc(CC#N)cc1F"]
["64154921","SC(=NC1CC1)N=c1ncn(Cc2c(Cl)cccc2Cl)[nH]1"]
["181467418","CC(Cc1ccc(N=C=O)cc1)(c1ccc(N=C=O)cc1)c1ccc(N=C=O)cc1"]
["126549346","N#CCc1ccc(N=C(O)C(=O)NCCCc2ccc(Cl)cc2)cc1"]
["132805792","CC(NC(=O)C(O)=Nc1ccc(CC#N)cc1)c1ccc(F)c(F)c1"]
["99816922","N#CC1=Nc2c3c(c4c(c2=NC1C=N)NC(C=N)C(C#N)N4)=NC(C#N)C(=CN)N3"]
["150571222","N#CC1=C(c2ccc(OCCN=O)cc2)C(=CN)C(Cl)=NC1SCC1=CSC(c2ccc(Cl)cc2)N1"]
["177498510","CC1/N=C(C#N)\\C(C#N)=N/CC2=C(N=C(C#N)CC(C#N)=N2)C2=C1N=C(C#N)C(C#N)N2"]
["82051108","C[O+]=C1C=C2N=CN3Cc4c(C#N)cccc4N=C3C2C=C1OCCCC1COCCN1"]
["185208221","N#CC1=NC(c2ccccc2)=CN(N)C1C#N"]
["80964823","N#CC1NNC(N)C1c1c(Cl)cc(Cl)cc1Cl"]
["169170410","N#CC1=C(N)Oc2nc(O)nc(O)c2C1c1cccc(Cl)c1O"]
["81498670","N#Cc1ccc(C(=O)C=C2N=C3C=CC=CC3C3=NCCN23)s1"]
["180231707","CN1c2c(c3c(c4nc(C#N)c(C#N)nc24)N=C(C#N)C(C#N)=CCC3)N=C(C#N)C1C#N"]
["100543581","N#CC1CCC(N/C=C(\\C=N)c2nc[nH]c3nccc2-3)CC1"]
["174293326","CN.CSCCc1c(C#N)c(SCC=O)[nH]c(=N)c1C#N"]
["168187687","C[C@@H]1[C+](C=N)C(=S)[N-]C(=O)[C@H]1C#N"]
["184273363","BrC1CCC2C3C1CCCC3C1CCCC3OC4CCCCC4N2C31"]
["76967291","C1=CN2C3CCNCC3C3CCCC(O1)C32"]
["151694034","Cc1nnc([C@@H]2CC[C@@H]3[C@H](CCN3C3CCC3)O2)o1"]
["175635996","C[C@H](C1[B+]C1)C1CCCCCC2C=[N+](C)N(C)[CH]N(C)C2CCC1"]
["151535338","COC1=CC(=O)[C@H]2[C@@H]1[C@H]1CC[C@H]2O1"]
["82435490","O=C1C2CCCC3C4CCCCC4N(C4CCCC5C6CCCCC6N1C54)C23"]
["62367685","Br[C@H]1CC[S+]2CCC[C@H]12"]
["76439737","CS(=O)(=O)N1C2CCCCC2OC(=O)OC2CCCCC21"]
["178853031","C/C=C(\\CC1CCC1)C1C2C3CCCC3C12"]
["29473957","CN(C(=O)CCCS(=O)(=O)N1CCCC2CCCCC21)C1CCCCC1"]
["165219753","Cc1cc(C(=O)N2CCCCCCCN(C)C(=O)c3ccccc3O[C@H]3CCCC[C@H]32)n[nH]1"]
["157103309","CN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1CCCCC1"]
["190696231","[C-]#[N+]C1=CC2=CN3Cc4cc5c6c(oc5cc4N3C2=C([N+]#[C-])C1)=[N+]=CC=C=6"]
["179008008","CN=C(O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C#N)cc43)nn2C2CC23CCOC3)C1"]
["31875113","CNc1cc2nc(O)n(-c3ccc(N=C(O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2cc1Cl"]
["67190597","O=C(SCC1OCCO1)c1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl"]
["196523192","[2H]C1[C+]=C(C([2H])([2H])C(C)C)C=C(c2c(C)cc(C)c3c2oc2ccc([N+]#[C-])cc23)N1C"]
["196525545","[C-]#[N+]C1=[N+]=C2C=CN(C)C(=C3C=C(C(C)(C)C)[C-]4C=C=CCC4=C3C)C2=[S+]1"]
["142186384","CN(C[C@@H]1CCCO1)C(O)=Nc1cc(F)c(N2CCCCC2)c(F)c1"]
["69898040","[C-]#[N+]c1cccc2nc3c(cc12)Cn1c-3cc2c(c1=O)COC(=O)C2(CC)OC(=O)c1cccc(OC(C)=O)c1"]
["184099778","CCN1C=C(C(=O)OCCCCCC(=O)O)Cc2cc3oc(=O)oc3cc21"]
["200325636","[2H]C([2H])([2H])c1c(=C2C=[N+]=C([N+]#[C-])C=N2)oc2cc(=C3N(C)c4ccccc4N3c3ccc([N+]#[C-])cc3)c(C)cc12"]
["13213371","Oc1cc(N2Cc3ccccc3C2)c(F)cc1Cl"]
["70148308","COc1cc(C)c2c3c1OC1CC(C)C=[C-]C31CCN(C)C2.[Y].[Y]"]
["150057641","CC(C)(c1ccccc1)P(I)[B+]C1C2CC3C1C3C2P(I)#[B-]C1C2CC3C(C2Cl)C13.[H+].[H+]"]
["22371668","COc1ccc(CCN=C(O)[C@@H]2C[C@H](c3cccc(C)c3)CN(Cc3ccccc3)C2)cc1"]
["168320549","CCC(C)(C)c1cc(C(C)(C)C)cc(C=Nc2ccccc2)c1O"]
["96689206","C[C@](N=C(O)[C@@H]1CCCN1)(C(O)=NCC(=N)O)c1ccccc1"]
["100240512","CCC(Cl)(c1ccccc1)[Si](C)(C)Cl"]
["195395301","CCC(C)(C)C(O)(CC)Oc1ccccc1"]
["173773708","CO[C@@H]1OC(CI)(COC(=O)c2ccccc2)C2OC(C)(C)OC21"]
["77187527","Cc1cnc(CN=C(O)C2CN2C(C)(C)c2ccccc2)cn1"]
["96257565","CC(C)Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)O"]
["33487940","C[P@@](CC(O)(c1ccccc1)c1ccccc1)c1ccccc1.[B]"]
["171708023","CC(C)(CC(O)=N[C@]1(c2ccccc2)CCNC[C@H]1O)c1ccccc1.Cl"]
["27461090","N=C(O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1F"]
["176584363","C=[C-]C(=O)O[C@H]1CC=C=C2C[C@@H]1[C-]2O[C@@H]1C[Cl+][C@H]2C1[Cl+]C[C@@H]2OC(=O)C1C=CC2=CC(OC([O-])[C-]=C)C=CC2=C1"]
["83535245","Cc1ccc(NC2C([N+](=O)[O-])=CC(C(=O)N3C(=S)N(C(C)C)C(=O)CC3C)=CC2[N+](=O)[O-])c(C)c1"]
["MCULE-1886547227","CC(C)Cc1nnc2n1N(C(=O)c1ccc(F)cc1)C(c1ccc(OC(C)C)cc1)CS2"]
["100229546","C=C1CC(OC(C)C(=O)OC)C(Cl)CC1Cl"]
["171050275","CC1OCCO[C@@]12CC[C@H]1[C@@H]3C=CC4=C[C@H](O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@@]12C"]
["16546395","CO[C@H]1CCC[C@@H]1OC(=O)[C@H]1C[C@@H]1c1cccc(C)c1"]
["175409425","C[C@H]1C=CC(C2=CC=C=C=C2OCCc2ccc(NC(=O)C3=CCCN=C3O)cc2)=C1"]
["142140285","CN1C(=O)CC(C(=O)N2CCc3c(Cl)cccc3C2)C1c1cccnc1"]
["188035406","CCC(C)C(=O)OC1CC(C)C=C2C3OC3C(C)C(CCC3CC(O)CC(O)O3)C21"]
["178132124","C=[C-]C(=O)OC1C[B]C(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC([O-])C=C)cc3)cc2OC)C[I+]1"]
["44998007","C=C(O)N(C)C1=C=CC(NC[C@@H]([O-])C(=O)OC)C=C1.[U]"]
["106866649","CO[C@@H]1CCC[C@@H]1OC(=O)[C@@H]1C[C@@H]1c1cccc(C#N)c1"]
["70236056","CC1=C=N[N+](C)=C1NNc1c(CC2=NN(C)C(=N)C2=NN=c2c(C)c(C)[n-]n2C)[n-]n(C)c1=N.[Y]"]
["171723401","CN1N=C(CO)C(=Nc2ccc(C(O)NCCO)cc2)C1=N"]
["89330661","CNCc1cnn2ccc(C)cc12"]
["168406791","CC1=NN(C)C(=N)C1=Nc1ccc(O)cc1O"]
["162859234","CNCC1CCOC1c1snnc1C"]
["55049104","Cc1nn(CCC(O)=NC2CC2)c(C)c1CNCC(C)C"]
["47464902","CN1N=C(C(C)(C)C)C(=NN=c2c(C#N)c[n-]n2-c2ccccn2)C1=N.[C-]#[N+]c1c[n-]n(-c2ccccn2)c1=NN=C1C(=N)N(C)N=C1C(C)(C)C.[Cu+2]"]
["44314309","Cc1ccc(C2=NN(C)C(=N)C2=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]
["MCULE-1508052299","CNCc1cnn(-c2cc(C)c(=O)n(C)c2)c1C"]
["180360364","Cn1c(C2=CC(=N)C(=C(N)CCO)C=C2)c[n+]2cc[nH]c2c1=Nc1ccc(N2CCOCC2)cc1"]
["60552385","CCNCc1sc(N2CCCOCC2)nc1C"]
["68667162","N=C1/C(=N\\Nc2nc(SCCS(=O)(=O)[O-])ns2)C=NN1c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+]"]
["174005980","[B+]C([B+])([B+])C([O-])(C1=C2N=C(C3=CC(F)=C[N-][CH-]3)NC(=N[C@@H]3CC=C4NC5=CCCC=C5[C-]4C3)N2[N-][CH-]1)C([B+])([B+])[B+]"]
["163002620","c1ccc(CN2C3CCC2CC(N=c2[nH]ncs2)C3)cc1"]
["196001129","N#CC1=CC(C2=CC3CCN=C3C(OC3CN([NH+](N)[O-])C3)=C2)=CCC1"]
["142819826","OC(=NC1CC=CCC1)C1(c2cccc(F)c2)CCOCC1"]
["173864472","[B]C([B+])([B+])c1nc([S-])n2c1[C@@H]1C[C@]1(C1=C=C(Br)CC[C-]1F)C2"]
["174106316","[B+]=c1cnc2n1CC(c1ccccc1)=NC=2N[CH-]c1ccc(C(F)(F)F)nc1"]
["48137913","CC1CN(C2=CC3C=C4C(F)=NOC4N4C5=C(OC(=C2F)C34)C(=O)C(=O)CC5)CC1N"]
["156388684","CC1=C(C(=N)O)C=C2NC(CCCC(F)(F)CO)C(C3C=CC(F)=CC3)=NC2=CC1"]
["168613730","CC(F)(F)CCC1=CC2=CC(C(C)(F)F)=NC(=NC3CC4O[C@H](C3)C3CC43)C2N1"]
["172045908","COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C#CC3=CCC(N=C(O)OC(C)(C)C)CC3)ccc(-c3cccc4sc(=NC(=O)OC(C)(C)C)[nH]c34)c2-c2nnnn2Cc2ccc(OC)cc2)cc1"]
["85383810","CC1(C)CCCC1N=c1[nH]ncs1"]
["MCULE-3900585462","NCc1c(C2CC2)nn(Cc2cc(F)ccc2I)c1N"]
["195969817","[NH3+]c1ccc(NNc2ccc(NNc3cccc(S(=O)(=O)O)c3)c3ccc(S(=O)(=O)O)cc23)c2cccc(S(=O)(=O)O)c12"]
["22839421","NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1"]
["20158415","CC([O-])=[NH+]c1ccc(S(=O)(=O)[NH+]=C2C=CC(=S(=O)(O)[NH+]3CCCC3)C=C2)cc1"]
["169816833","CCN(c1ccc2cc(S(=O)(=O)O)cc(O)c2c1)c1ccccc1Br"]
["MCULE-9209485761","NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(O)=NCCC3=CCCCC3)c2)cc1"]
["100397698","CNCc1cn(S(=O)(=O)c2cccnc2)c2cc(Nc3cc(Cl)c(Cl)cc3Cl)ccc12"]
["7796955","CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]
["119704677","O=S(=O)(NCCc1ccc(Cl)cc1Cl)c1cccc(Cl)c1"]
["117742431","CCN=C(NCc1cccc(CN2CCCC2=O)c1)NC1CC1"]
["131636816","Cc1cccc(S(=O)(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1C#N"]
["171768505","N=C(O)Nc1ccc(-c2cccc(S(N)(=O)=O)c2O)cc1Cl"]
["74779118","Cc1ccccc1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2NN=N)cn1"]
["69491993","[1CH3]S[1C@@]1([1CH3])[1C](=[1O])[1N]2[1C@H]3[1N]([1c]4[1cH][1cH][1c]5[1o][1c]6[1cH][1c](=[1O])[1c]([1NH2])[1c]([1C](=[1O])[1OH])[1c]-6[1n][1c]5[1c]4[1C](=[1O])[1OH])[1c]4[1cH][1cH][1cH][1cH][1c]4[1C@@]3([1c]3[1cH][1nH][1c]4[1cH][1cH][1cH][1cH][1c]34)[1C@H]([1OH])[1C@]2(S[1CH3])[1C](=[1O])[1N]1[1CH3]"]
["69491838","[1CH3]S[1C@H]1[1C](=[1O])[1N]2[1C@H]3[1NH][1c]4[1cH][1cH][1cH][1cH][1c]4[1C@@]3([1c]3[1cH][1nH][1c]4[1cH][1cH][1cH][1cH][1c]34)[1C@H]([1OH])[1C@]2(S[1CH3])[1C](=[1O])[1N]1[1CH3]"]
["69492028","[1CH3][1N]1[1C](=[1O])[1C@]23SS[1C@@]1([1CH3])[1C](=[1O])[1N]2[1C@H]1[1NH][1c]2[1cH][1cH][1cH][1cH][1c]2[1C@@]1([1c]1[1cH][1nH][1c]2[1cH][1cH][1cH][1cH][1c]12)[1C@@H]3[1OH]"]
["69491995","[1CH3][1N]1[1C](=[1O])[1C@]23SS[1C@@]1([1CH2][1OH])[1C](=[1O])[1N]2[1C@H]1[1NH][1c]2[1cH][1cH][1cH][1cH][1c]2[1C@@]1([1c]1[1cH][1nH][1c]2[1cH][1cH][1cH][1cH][1c]12)[1C@@H]3[1OH]"]
["76239873","[1CH3][1O][1c]1[1cH][1c]([1C@H]2[1CH2][1NH][1CH2][1C@@H]([1c]3[1cH][1nH][1c]4[1cH][1cH][1cH][1cH][1c]34)[1O]2)[1cH][1c]([1O][1CH3])[1c]1[1O][1CH3]"]
["69491991","[1O]=[1C]1[1C@@H]2[1CH2][1C@]3([1c]4[1cH][1cH][1c]5[1c]([1CH2][1C@@H]6[1N]=[1C]([1OH])[1C@@H]7[1CH2][1CH2][1CH2][1N]7[1C]6=[1O])[1cH][1nH][1c]5[1cH]4)[1c]4[1cH][1cH][1cH][1cH][1c]4[1NH][1C@@H]3[1N]2[1C](=[1O])[1CH]2[1CH2][1CH2][1CH2][1N]12"]
["69492037","[1CH3][1CH]([1CH3])[1C@@]12SS[1C@]3([1C](=[1O])[1N]1[1CH3])[1C@@H]([1OH])[1C@]1([1c]4[1cH][1nH][1c]5[1cH][1cH][1cH][1cH][1c]45)[1c]4[1cH][1cH][1cH][1cH][1c]4[1NH][1C@@H]1[1N]3[1C]2=[1O]"]
["69491911","[1CH3][1N]1[1C](=[1O])[1C@]23SS[1C@H]1[1C](=[1O])[1N]2[1C@H]1[1NH][1c]2[1cH][1cH][1cH][1cH][1c]2[1C@@]1([1c]1[1cH][1nH][1c]2[1cH][1cH][1cH][1cH][1c]12)[1C@@H]3[1OH]"]
["76239955","[1CH3][1CH2][1O][1CH]1[1O][1CH2][1CH2][1C]12[1C](=[1O])[1CH2][1CH2][1N]([1CH2][1CH2][1c]1[1cH][1nH][1c]3[1cH][1cH][1cH][1cH][1c]13)[1C]2=[1O]"]
["69491759","[1CH3][1C@@H]1[1N]=[1C]([1OH])[1CH]2[1CH2][1C@]3([1c]4[1cH][1cH][1c]5[1c]([1CH2][1C@H]6[1N]=[1C]([1OH])[1C@H]7[1CH2][1CH2][1CH2][1N]7[1C]6=[1O])[1cH][1nH][1c]5[1cH]4)[1c]4[1cH][1cH][1cH][1cH][1c]4[1NH][1C@@H]3[1N]2[1C]1=[1O]"]
["50566391","C1=CSC2C(CCC3C4CCCCC4NC32)N1"]
["59593380","CC(C)OCCOC(=O)C1CC2CCCCC2N1"]
["180509382","C1=CC2CCCC([S+](C3CCCC4CCCCC43)C3CCCC4CCCCC43)C2CC1"]
["109369204","C[C@H](N=c1[nH]c2cc(F)ccc2s1)C1CCCCC1"]
["22844671","CCCCN=C(O)CC1NC2CCCCC2C1C"]
["54499565","C[C@@H]1CC[C@H]2CCCC[C@H]2N1"]
["160559195","OC(=Nc1nc[nH]n1)C1CCCC2CCCCC21"]
["185634923","Cc1ccc(O)c(C2CCCCC2C2CCCCC2)c1"]
["84778907","CCOC(=O)c1sc(NC(=O)C2C3CCCCC32)cc1C"]
["80195052","OC(=NCc1ccc(-n2cncn2)nc1)C1NNC2CCCCC21"]
["81233420","O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)C1CNC2CCCCC2C1=O"]
["76353021","Cc1cc(C2=NNC3C4CCCCC4C(O)=NN23)no1"]
["54096364","CP1(=S)C=CC2C1C1C=CC2P1(C)=S"]
["54065977","C[C@H]1OP(=S)([S-])O[C@@H]1C"]
["109484061","COC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C=C[C@@H]32)[C@@H]1C(=O)OC"]
["69616181","CNC1C=CC(C)C1"]
["59365384","CN(C)P1(=S)C=CCC1"]
["108920264","CC(=O)[C@H]1N[C@H]2C=C[C@H]1C2"]
["60976107","CCC1=C(N)C(CC)(CC)C(N)C=C1"]
["101094168","S=P1(C2C=CC=C2)SP(=S)(C2C=CC=C2)S1"]
["77015799","CC1=CP(C)(=Nc2ccccc2)C2C1CC1C=CC2P1(C)=Nc1ccccc1"]
["109023622","C[C@@H]1[C@H](C)[C@@H]2C=C[C@@H]1[C@H]1C=C[C@@H]12"]
["169688419","CC1C=CC(=S)O1"]
["104885378","CC(=O)[C@H]1N[C@H]2C=C[C@@H]1C2"]
["26594794","[c]1npp[pH]1"]
["170557183","CN1N=C=[N+](C)[N-]1.[Ag+].[Cl-]"]
["161760753","[Sn].[c]1ccp[pH]1"]
["26879901","[c]1pcp[pH]1"]
["49324786","p1pp[pH]p1"]
["178648739","CC1N=C=N[N-]1.[CH3-].[U+2]"]
["185858824","P1=PPPP1"]
["175216351","Nc1cp[pH]p1"]
["79170810","n1po[pH]1"]
["150502565","C1=NP=NP=NP=1"]
["74274925","[O-][N+]([O-])=C1C[NH+]=C=N1"]
["101692323","[Na+].p1pp[pH]p1"]
["170847740","S1[Se][Se][Se][Se][Se][Se][Se]1"]
["91595221","S1[Se]S[Se][Se][Se]S[Se]1"]
["91535107","S1[Se]S[Se]S[Se]1"]
["9478481","CC1(C)SC(C)(C)C1[NH3+]"]
["91595220","S1S[Se][Se][Se][Se]S[Se]1"]
["91535108","S1S[Se][Se][Se][Se]1"]
["34527776","S1SS[Se][Se][Se]SS1"]
["79853172","[CH]1CSN1"]
["172762185","C1[Se][Se][Se][Se][Se]1"]
["91535110","S1[Se]S[Se][Se][Se]1"]
["91013336","S1[Se]S[Se][Se][Se][Se][Se]1"]
["172762198","C1C[Se][Se][Se][Se][Se]1"]
["179286727","C=I(CCCCI(CCC[Si]1=NCC[NH2+]CCO1)CCC[Si]1=ICCCCCO1)(CCC[Si]1=[O+]CCN(CC)CCO1)CCC[Si-]1OCCN(CC)CCO1"]
["192797410","CC(CN1CCOCC1)Oc1ncc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)cc3F)ccnc2c1Br"]
["55549494","CCOc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)OCO3)N2CCN(c3ccccc3F)CC2)cc1"]
["77397990","CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[NH+]=C(O)C(C)Oc2ccc(F)cc2)CC1"]
["199095506","CCOC(=O)N=C(S)N1CCN(CC)CC1"]
["85183101","CCCNC(Cc1ccc(Br)s1)C1CN(CC)CCO1"]
["171668668","CCCCCCC#C[C@H]1CCC[C@@H]1C(C=CCCCC(=O)OCCN1CCOCC1)C1CCCCC1"]
["MCULE-1623175271","CCN1CCN(Cc2cc(=O)c(OCC(O)=NC(C)C)cn2Cc2ccccc2Cl)CC1"]
["149819835","CC(C)n1c(O[C@@H]2C[C@H]3C(O)=N[C@]4(C(O)=NS(=O)(=O)N(C)C)C[C@H]4/C=C\\CCCCC[C@H](C)C(=O)N3C2)nc2c(C(=O)O)cccc21.OCCOO"]
["21122881","CCN1CCN([C@@H](C)C[NH2+]Cc2sc(N3CCOCC3)nc2C)CC1"]
["159662550","CCN1CCCN(C(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)CC1"]
["138912335","C#CCOc1ccccc1NC(=O)C(=O)NCCCN1CCN(CC)CC1"]
["164599863","[SiH2]=[SiH]/[SiH]=[SiH]/C=C/[SiH]=[SiH]/[SiH]=[SiH2]"]
["179353409","C[N+](=[SiH2])[SiH]=[N+](C)C"]
["164599862","C=C/C=C/[SiH]=[SiH]/[SiH]=[SiH]/[SiH]=[SiH2]"]
["175861361","[SiH2]=[SiH]O[SiH]=[SiH2]"]
["97798217","C#C[SiH]=[SiH2]"]
["96891142","C=C[SiH]=[SiH2]"]
["164599857","C=C/[SiH]=[SiH]/C=C/[SiH]=[SiH]/C=C"]
["164599861","C=C/[SiH]=[SiH]/[SiH]=[SiH]/[SiH]=[SiH]/C=C"]
["79735452","CCCC/C=C/[SiH]=[SiH2]"]
["164599860","[SiH2]=[SiH]/[SiH]=[SiH]/[SiH]=[SiH]/[SiH]=[SiH]/[SiH]=[SiH2]"]
["164599858","[SiH2]=[SiH]/C=C/C=C/C=C/[SiH]=[SiH2]"]
["164599864","C=C/C=C/C=C/[SiH]=[SiH]/[SiH]=[SiH2]"]
["99136689","Nc1c(N)c(Nc2c(N)c(O)c(N)c(N)c2O)c(N)c(N)c1O"]
["55203416","Nc1oc2ccccc2c(=O)c1O"]
["163324694","COC(=O)Cc1cccc2c(N)c(O)sc12"]
["65767811","Cc1cccc(C(=O)N(C)Cc2cccc(O)c2)c1N"]
["59415039","COC(=O)c1c(N)c(=O)oc2ccc(O)cc12"]
["171084977","Cc1c(N)c(C(CC2CO2)(CC2CO2)CC2CO2)c(N)c(C(CC2CO2)(CC2CO2)CC2CO2)c1N"]
["96288093","Cc1ccc(-n2nc(C(C)C)c(N)c2O)cc1Cl"]
["171256924","Cc1ccc(N)c(O)c1[C@H](N)CF.Cl"]
["171010611","N#CCc1ccc(N)c(N)c1O"]
["75989913","CNc1[n+]([O-])c(N)c(N)c(N)[n+]1[O-]"]
["78033334","Cl.NCC(=CF)c1cccc(O)c1"]
["170709525","N=c1nc(O)c(NC(O)=Nc2ccc(C(=O)NC(CC(=O)O)C(=O)O)nc2)c(N)[nH]1"]
["91017147","NN[B+]N[B]N[B+]N([O-])[O-]"]
["168607627","NNC(N)=[NH2+].O=NN([O-])O"]
["183927672","NN=C([O-])NN.[Li+]"]
["195453929","CNNN([O-])N(N)[O-]"]
["78692502","C=NN(N)[O-].[Na+]"]
["179926275","NNN(N)NN"]
["67356455","CC1CC1CN(C)C(=O)C(=O)NN"]
["181691888","N=C(N)N([O-])NN"]
["195978858","NN([O-])ON[O-]"]
["173377481","NN([O-])F"]
["91109786","[B]N[B]N[B]N[B]N"]
["195623029","NON([O-])ONON(N)[O-]"]
["65078298","CN(C)C=Nc1nonc1N=Nc1nonc1[N+](=O)[O-]"]
["65952953","CN(C)c1ccc(C=Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]"]
["84411867","CCCCN(C)c1ccc2cc([N+](=O)[O-])ccc2n1"]
["18700166","CCCN(C)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1"]
["83617144","COc1ccc(C=NN=C(O)C(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1"]
["77355083","CN(C)C=Cc1ccn2ccnc2c1[N+](=O)[O-]"]
["198615508","CNS(=O)(=N[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1"]
["115032997","Cc1[nH]c(=N)[nH]c(=NC(CN(C)C)C(C)C)c1[N+](=O)[O-]"]
["168245031","CN(C)C=O.O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1"]
["47199903","[C-]#[N+]c1c(N)nc(OC)c([N+]#[C-])c1-c1ccc([N+](=O)[O-])cc1"]
["MCULE-8052426634","O=[N+]([O-])c1c(C=NO)nn(-c2cc(F)cnc2F)c1C(F)(F)F"]
["169383104","CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1"]
["61688884","O=C1C=CCC2=C1C=CCN=N2"]
["78962069","[O]C1=NN=CC1"]
["77353349","O=C1C=CCCC1=CNNC(=O)c1ccncc1"]
["97792512","C=C[C@]1(C)CC[C@@H]([C@@]2(C)OC(C)(C)C=CC2=O)O1"]
["84286297","CN1N/C(=C2/C=CC=CC2=O)CC1=O"]
["108176736","O=C(O)CC1=C2C=CCC(OCc3ccccc3)=C2N=C1"]
["184535708","C1=CC2=C(C1)C1=C2CCCC1"]
["70342099","O=C1C=CC(c2ccc(OCCNCC(O)COc3ccc(CCOCC4CC4)cc3)cc2)N=N1"]
["64873927","Cc1cc(C)nc(N2[C@H]3C(=O)C=C[C@@H]2C(C)(C)C2=C3CC=C2)n1"]
["175685983","COC1=C(F)/C=C/CN=C(O)\\C=C\\1"]
["66805707","OC1=NC(=S)CC=C1"]
["84176831","O=C1CC(=C2C=CN(O)C=C2)N=N1"]
["57261970","CN(C)C1=NC(N(C)C)=NP(Cl)(N(C)C)=N1"]
["80462195","Cc1nc(Cl)c(C=O)c(N(C)C)n1"]
["150341001","CN(C)C1=NC(=NN=[NH2+])C=N1"]
["175519996","CN(C)C1=NC(C(C)(C)C)N=C(NI)N1"]
["84129767","CN(C)c1n[se]c(N(C)C)n1"]
["192489358","Br.Cc1nc(N(C)C)nc(O)c1Br"]
["149541188","Cc1cc(Cl)n2nc(N(C)C)nc2n1"]
["179589790","Cc1ccc(N(C)C2=NC(N(C)C)=NC(C)C=C2)o1"]
["95875802","CN(c1ccc(Cl)c(C(=O)O)n1)C1CCCCC1O"]
["76738351","CN(C)C1=NC(=O)C(C#N)C(Cl)=N1"]
["48129468","CCNc1snnc1CN(C)CC(F)(F)F"]
["50222163","Cc1nc(N(C)C)nc(C)c1CC(C)CNCC(C)C"]
["103016355","[OH+]=c1ccc2c(cc1)=C1C=CC=CC=C(C=2)C1"]
["173996524","CC1=CC=C/C=C\\C=C\\C=C\\C(CCCCCCCNC2CCCCCCCCCCCC2)=C1"]
["177041755","CC1=C2C=CC=CC(=CN1)C2"]
["177928062","N#CN1CC[C@@H](N=C(O)c2ccccc(C3=C/C=C\\C=C/C=C\\3)cccc2)C1"]
["193101394","N=C(O)N1C2=CC=CCC2=C[C@H](O)c2ccccc21"]
["176539721","C1=C\\C=C\\C2=C(/C=C/1)Cc1ccccc12"]
["173890823","CN=C1CC2=C(C=C/C=C\\C=C2)N1C"]
["193037458","C1=CC2=C3C(=CC/C3=C/C=C\\1)c1ccccc12"]
["52147821","[2H][O+]=C1/C=C/c2ccccc2C#CC#CC2=CC=CC=C(/C=C/1C)C2"]
["170366478","[NH-]c1ccc2c(c1)=C1C=CC=CC=C1C[O+]=2"]
["98390854","C=C1C=CC=CC=C1CC"]
["174621805","CCC1=CC(=O)CN2C=CC=CC2=N1"]
["178177411","C=N[N+]([NH-])=CC=N/C=C/C"]
["185803069","C=[N+](/C=C\\C=C/C)CC"]
["195761734","C=C(C=N)N=C/C=C/C.[H+]"]
["173514683","C/C=C\\N=CCCC.Cc1ccc(C(C)C)cc1"]
["78470222","C=N/C=C\\BC"]
["190114746","C=NC(=C)C(=N/C=C\\C)/C(N)=C\\C.CC"]
["176169932","C=NN(/C=C\\C)C(C)(C)C.CC"]
["99740661","C/C=C\\C=N\\C(C)=C\\C"]
["180738843","C=N[C@H](C)P=CCCC"]
["170009200","C=N/C(=C(/C=CC)C(F)(F)F)N(C)C"]
["184447166","C=C[C@@H](CC/C=C\\N=CC)N=C"]
["162309961","C=CN=C/C(Cl)=C\\C"]
["167549339","S1[C]2SC3SC1SC(S2)S3"]
["178552281","CC(C)C1=NC(=O)S[C@@H]1C"]
["195396762","CC1=C(F)CC(C(C)(C)O)S1"]
["79954239","O/N=C1\\SC2C=CC1CC2"]
["74611016","CC1=NCC(Cl)S1"]
["199427060","C=C1CCC(C(C)C)S1.CC"]
["178717656","C1=C2CC(C1)S2"]
["178506580","C/C=C\\C1=C(C)SC(N)N1"]
["63300800","CC1=C(C)SC(C)O1"]
["33401978","C=CCCOC(=O)C[C@H]1CCC(=O)[C@@H]1CC=C"]
["172254679","O=C1CCSN1Cl"]
["178575361","C=C1CCC2=C[C@H]12"]
["97251075","[CH2]N(C)CCN(CCN(C)C)C[Si-](=C)(C)C.[Li+]"]
["99395460","C=CC/C=C(/CCCN(C)C)C(=N)O"]
["149596058","CN(C)CCN(CCN)CCNCCN(CCN)CCNCCN"]
["183201643","CN(C)CCCN(C)Cl"]
["99160734","CCn1nc(C(=O)N(C)CCN(C)C)cc1C"]
["150346735","C=CC(C)=CC=CN(CC)CCN(C)C"]
["46140809","CN(C)CCc1nc(C2CCNCC2)no1"]
["99483071","CN(C)CC[As]"]
["180880942","CCCN(C)CCN(CCC)CCCN(C=N)C=CCCCCC[NH3+]"]
["188745798","C=C(CCCN(C)C)NC=NC"]
["92461550","CC#CCC(CCN(C)C)NC"]
["60376582","CC(CC(=N)N)N(C)CCN(C)C"]
["185917450","[SiH3][Si]1([SiH3])[SiH2][SiH2][SiH2][Si]([SiH3])([SiH3])[SiH2]1"]
["79601831","C[Si]1(C)[SiH2][SiH2][SiH2]1"]
["185917452","[SiH3][SiH]1[SiH2][SiH2][Si]([SiH3])([SiH3])[SiH2]1"]
["101207692","[SiH3][Si]1([SiH3])C=C[Si]([SiH3])([SiH3])C=C1"]
["102891709","F[Si]12[SiH2][Si]3(F)[SiH2][Si](F)([SiH2]1)[SiH2][Si](F)([SiH2]2)[SiH2]3"]
["100919363","[SiH2]1[SiH2][Si]23[SiH2][SiH2][Si]12[SiH2][SiH2]3"]
["79880965","[SiH3][SiH]1O[Si]([SiH3])([SiH3])O1"]
["79601857","[SiH3][Si]1([SiH3])[SiH2][SiH2][SiH2][SiH2]1"]
["79615342","O[Si]1(O)O[SiH2][SiH2][SiH2][SiH2]1"]
["185917469","[SiH3][SiH]1[SiH2][SiH2][Si]([SiH3])([SiH3])[SiH]([SiH3])[SiH2]1"]
["185917445","[SiH3][SiH]1[SiH2][SiH2][SiH2][SiH2][Si]1([SiH3])[SiH3]"]
["182127080","C1CCC([Si]2(C3CCCC3)[SiH2][SiH2][SiH2]2)C1"]
["99636166","N#[N+]/C(CN)=C(/O)C(CN)=[N+]=[N-]"]
["160080042","C1COC1.NCC(=O)O"]
["79334566","NCC(=O)[O-].O.[Zr+]"]
["183156116","[N-]=[N+]=Nc1cnc(CN)cn1"]
["78505996","B=C(CN)NB"]
["68559825","CCCCCCCCCCCCS(=O)(=O)/C([N+]#N)=C(\\O)OCC"]
["183376918","[N-]=[N+]=C(N=C(O)NNC(=N)N)C(=N)N"]
["87762643","C/C(O)=C(/Cc1ccccc1)[N+]#N"]
["184087455","[N-]=[N+]=N[14C](=O)CCN=C(O)CCN"]
["182456827","CCC(O)=NC(C)C(O)=NN=[N+]=[N-]"]
["80229140","CC(C)(C)OC(O)=C(C#N)[N+]#N"]
["182917626","CC(O)=NN(ON=[N+]=[N-])S(=O)(=O)CN"]
["100929590","C12C3N1C1N4C5C6N5C(N24)N3N61"]
["196441953","ClC1C(Cl)C2C(Cl)C(Cl)C3C(Cl)C(Cl)C1N23"]
["82290117","ClC1C(Cl)C1(Br)Br"]
["47518947","Cl[C@H]1[C@H](Cl)C1(Br)Br"]
["91015195","C12N3C4N1N1N2C3N41"]
["90977178","C12C3N1N1C2N31"]
["32498507","C1C[C@H]2CC[C@H]3CC[C@@H]1N32"]
["66078748","ClC1CCC(n2on2C2CCC(Cl)CC2)CC1"]
["157842793","C[C@H]1C[C@@H](C)N(CCCF)C1"]
["91650991","C12C3N1N23"]
["91015185","C12C3N4C1N1C2N3C41"]
["45389369","CC1(C)C(Cl)C1Cl"]
["54684126","[CH2]N1CCN([CH2-])CC[N+](=C)CC1.[Ga]"]
["47666187","[CH2-]N1CC(N2CCCC2)C1"]
["55869160","C=[N+]1CCC(C2CCN(S(C)([O-])O)CC2)CC1"]
["178856461","C=[N+]1CCC(C)(C(=O)I)CC1"]
["180788709","C=[N+]1CCC2(CCC2)CC1"]
["178768934","C=[N+]1CCN(C2(C)NCC2(C)C)CC1"]
["197704172","[CH2-]N1CCN(c2cnn(C)c2)CC1"]
["184384976","C=[N+]1CCC[C-](CN(C)C[CH2-])C1.[U+2]"]
["184340362","C=[N+]1CCC(CCN(CC)CC)CC1"]
["99652615","C=[N+]1CC[N+]2=C(C(F)(F)F)[N-][N-][C-]2C1"]
["64780578","[CH2-]N1CCC(C)(C)CC1.[Y]"]
["64001556","[CH2-]N1CCNCC1.[Y]"]
["170544094","OPPPP(O)O"]
["173417582","CCO.[Cs+].[H-]"]
["168873997","OPCN(CCc1ccc(O)cc1)CP(O)O"]
["68811561","B#P(O)P"]
["159146023","Cl.OP(O)[OH2+].[O]P[O]"]
["78301888","O=[PH2]O.OP(O)P(O)O"]
["191806469","OP(O)O.OPO.Oc1ccccc1"]
["79363409","OP(O)O.[Mg+2].[Zn]"]
["79915850","O=S.OP(O)O"]
["27304458","[Ba+2].[O-]PO.[O-]PO"]
["79936591","N=[P](O)O"]
["79472332","O.OP(O)P(O)O.[Na+]"]
["24565282","B1BBBBB/C=C\\BBBB1"]
["178009678","C=S(=C)(Cl)c1cccc2c1C=CC(=[N+]=N)C2=O"]
["161699249","O=[Se]1C=CC=N1"]
["96621432","B1=CBC=C1"]
["159429699","B1BBBBBBB1"]
["78397056","B1BC=CB1"]
["78362114","B1C=NN=N1"]
["154123198","B1BBBBB/C=C/BBBB1"]
["100850465","B1[CH]C=CC=C1"]
["MCULE-9892403184","B1BBBBC2(c3ccccc3)BC2(c2ccccc2)BBBB1"]
["147838558","B1C=CNBN1"]
["59658035","B1C=C[N-]C=C1"]
["96846026","c1c#cc#c[c+][c+]c#cc#cc#1"]
["54163695","c1c#cc#cc#cc#cc#1"]
["91132140","c1c#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#1"]
["91132159","c1c#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#1"]
["52466565","c1c#cc#cc#1"]
["97318123","c1c#cc#cc#coc#coc#coc#cc#cc#1"]
["91132147","c1c#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#1"]
["96876213","c1c#cc#csc#csc#csc#cc#1"]
["739997","[Ru].c1c#cc#cc#1"]
["91045882","c1c#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#1"]
["91132137","c1c#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#cc#1"]
["43483934","c1c#cc#cc#cc#cc#cc#cc#1"]
["184343145","Nc1cc(Cl)c(-c2cc(Cl)c([NH3+])cc2Cl)cc1Cl"]
["105592395","CCN=C(O)[C@@H](C)Oc1ccc(N)c(Cl)c1"]
["25008024","Nc1ccc(N=Nc2ccc(Cl)c(Cl)c2)c2ccccc12"]
["75265663","CCCCC(=O)c1cnc(Cl)c(Cl)c1"]
["56685378","Nc1ccc(C(=O)c2ccc([N+](=O)[O-])o2)cc1Cl"]
["162207907","NC(=O)c1cc(Cl)c(F)c(C(F)F)n1"]
["182968520","Nc1ccc(-c2cc(Cl)c(N)cc2O)cc1"]
["45997506","Nc1cccc(Cl)c1C(=O)N1CCOCC1"]
["159306840","Nc1c(Cl)cc(I)cc1C(=O)CBr"]
["MCULE-4182000074","Nc1cc(Cl)c(C2C(CN=C(O)OCC3c4ccccc4-c4ccccc43)C2(F)F)cc1Cl"]
["54401202","CC(C)=NN=c1[nH]nc(Cl)cc1N"]
["28715732","CCOC(=O)c1c(C)c(C#N)c(N)n1-c1ccccc1Cl"]
["148662973","O=C(F)O[PH](F)(F)OC(=O)F"]
["193354830","O=C(O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(=C(O)F)C(F)(F)F"]
["79538128","N#CO[C](F)OC#N"]
["79888734","C=CC(=O)C(C)O[PH](=O)O"]
["105290678","CC(C)(C)[C@@H](N[S@@](=O)C(C)(C)C)C(C)(C)C(=O)O"]
["44253815","CCOC(=O)C(=O)C(Cl)C(=O)[O-]"]
["195760800","NOC(=O)C(N)(I)ON"]
["85198612","COc1cc(F)c(C(=O)c2csc(I)c2)cc1OC"]
["166695602","O=C(Cl)c1cc(F)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl"]
["99703055","O=C(OBr)C(O)O"]
["32024222","C=CC(=N)O.C=CC(=O)O"]
["159300025","COc1cc(C(=O)CCl)cc(F)c1C"]
["168509344","[Si]1#[Si]P2#[Si]P(#[Si]1)[Si]#[Si]2"]
["168495889","[Si]1=P[Si-]=[P+]=1"]
["91291314","CP1#[Si][Si]#[Si]1"]
["91145968","[Si]1=[Si]=P2=[Si-][Si]#[Si]P(#[Si][Si]#[Si]2)[Si+]=1"]
["174152472","FC(F)(F)CC[SiH]1OC2(CC(F)(F)F)[Si]3(CCC(F)(F)F)O[Si]45CC6(C(F)(F)F)O[Si](CCC(F)(F)F)(O3)O[Si]23O[SiH]2OC78O[Si]9(CC(CC(F)(F)F)(O[Si]7(CCC(F)(F)F)O[Si]8(CCC(F)(F)F)OC12CCC(F)(F)F)[Si](CCC(F)(F)F)(O9)O[Si](CCC(F)(F)F)(O[Si]6(CCC(F)(F)F)O4)O3)O5"]
["53552476","FC(F)(F)CC[Si]12CO[Si]3(CCC(F)(F)F)O[Si]4(CCC(F)(F)F)O[Si]5(CCC(F)(F)F)CO[Si](CCC(F)(F)F)(O[Si](CCC(F)(F)F)(O1)O4)O[Si](CCC(F)(F)F)(O2)O[Si](CCC(F)(F)F)(O5)O3"]
["194811484","FC(F)(F)c1ccc2nc1OCCC/C=C\\CC(OCc1ccccc1)(C(F)(F)F)c1nnc-2o1"]
["170860459","CC1(C)C[Si](C)(C)[SiH2][SiH](CCC(F)(F)F)O1"]
["188129723","CO[Si]1(O)CC2(CC(F)(F)F)O[Si](CCC(F)(F)F)(OSCCC(C)(F)F)C(C)O[Si]3(CCC(F)(F)F)O[Si](CCC(F)(F)F)(OC)O[Si]4(CCC(F)(F)F)O[Si](CCC(F)(F)F)(O1)O[Si]1(CCC(F)(F)F)CO[Si](CCC(F)(F)F)(O4)O[Si](CCC(F)(F)F)(O[Si](CCC(F)(F)F)(O[SiH]2CCC(F)(F)F)O1)O3"]
["174081316","O[Si]1(CCC(F)(F)F)OC23O[Si]45CC6(CC(F)(F)F)O[Si]2(CCC(F)(F)F)O[Si]3(CCC(F)(F)F)O[SiH](CCC(F)(F)F)OC2(CC(F)(F)F)[Si]3(CCC(F)(F)F)O[Si]7(CCC(F)(F)F)OC8(C(F)(F)F)C[Si]9%10OC3(O7)[Si]2(OC9(O4)[Si](CCC(F)(F)F)(O[Si]6(CCC(F)(F)F)O5)O[Si]8(CCC(F)(F)F)O%10)O1"]
["175339711","CCCC(C)(C)CC1(CCC)c2ccccc2-c2c1cc(O)c1cc(OC)c3c(c21)CC[C@H](C(F)(F)F)[C@@H]3C"]
["174148566","Fc1c(F)c(F)c(CCC2(F)c3c(F)c(F)c(F)c(F)c3O[Si]3(CCc4c(F)c(F)c(F)c(F)c4F)O[Si]45CC[Si]26O[Si](CCc2c(F)c(F)c(F)c(F)c2F)(O[Si]2(CCc7c(F)c(F)c(F)c(F)c7F)OC7(Cc8c(F)c(F)c(F)c(F)c8F)C[Si](O2)(O6)C42O[Si]7(CCc4c(F)c(F)c(F)c(F)c4F)O[Si]2(CCc2c(F)c(F)c(F)c(F)c2F)O3)O5)c(F)c1F"]
["174060903","O[Si]1(CCC(F)(F)F)OC2(C(F)(F)F)C[Si]34O[SiH](CCC(F)(F)F)O[SiH](CCC(F)(F)F)O[Si]5(CCC(F)(F)F)O[Si]6(CCC(F)(F)F)O[Si](O)(CCC(F)(F)F)O[Si](CCC(F)(F)F)(O1)O[Si](CCC(F)(F)F)(O[Si](CCC(F)(F)F)(O6)O[Si](CCC(F)(F)F)(O5)O3)O[Si]2(CCC(F)(F)F)O4"]
["175619300","CCC[Si]1(O)O[Si]2(CCC)O[Si]3(CCC(F)(F)F)O[SiH](CCC(F)(F)F)O[Si]4(CCC(F)(F)F)O[Si]5(CCC(F)(F)F)OC6(C(F)(F)F)C[Si]7(O4)O[Si](CCC)(O3)O[Si](CCC)(O2)O[Si](CCC(F)(F)F)(O[Si](CCC(F)(F)F)(O1)O5)O[Si]6(CCC(F)(F)F)O7"]
["174081314","CCC[Si]1(O)OC23O[Si]45CC6(CC)O[Si]2(CCC)O[Si]3(CCC(F)(F)F)OC[SiH](CCC(F)(F)F)OC2(CC(F)(F)F)[Si]3(CCC(F)(F)F)O[Si]7(CCC(F)(F)F)OC8(C(F)(F)F)C[Si]9%10OC3(O7)[Si]2(OC9(O4)[Si](CCC(F)(F)F)(O[Si]6(CCC)O5)O[Si]8(CCC(F)(F)F)O%10)O1"]
["174060902","CCC[Si]1(O)O[Si]2(CCC(F)(F)F)OC34O[Si]5(CCC)O[Si]6(CCC(F)(F)F)O[SiH](CCC(F)(F)F)O[SiH](CCC(F)(F)F)O[Si]37CC(C(F)(F)F)(O[Si](O)(CCC(F)(F)F)O2)[Si](CCC(F)(F)F)(O7)O[Si]4(CCC(F)(F)F)O[Si](CCC)(O5)O[Si](CCC)(O1)O6"]
["174496121","FB=BB=BB(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)F"]
["66057074","FB=[B-](F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)[B+]F"]
["78482905","FBB(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)BF"]
["53875502","FB(F)B(F)B(F)F"]
["173623049","CB=BB(F)B(F)B(F)B(F)B(F)B(F)C(F)F"]
["57413641","FB=[B-](F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)[B+]F"]
["78482908","FBB(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)BF"]
["174232128","[K+].[O-]B(F)C=C(F)F"]
["78482907","FBB(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)BF"]
["55283434","[O+]#C[B-](B(F)F)(B(F)F)B(F)F"]
["63483907","FB=[B-](F)B(F)B(F)B(F)B(F)[B+]F"]
["67009952","FB=[B-](F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)B(F)[B+]F"]
["175070480","Cc1c([PH])c(P=P)c(C)c2c1OOO2"]
["89099089","Cc1cc2oc(C(=N)S)c(C(F)(F)F)c2c(C)c1Cl"]
["120824881","CC(=O)C1(c2c(C)c(C)cc(C)c2C)COC1"]
["54914881","CCC(Nc1ccc(O)cc1C)C(C)C"]
["171869462","Cc1cc(Br)cc(C(O)C(O)C(=N)O)c1"]
["88636279","Cc1cc(O)ccc1-c1ccco1"]
["59216557","CC(NNC(=O)c1ccc(C)o1)=C1C=CC=CC1=O"]
["120722211","Cc1cc(C)c(C)c(NCC2(C(=O)O)COC2)c1C"]
["85681589","CNC(C)c1cc(F)c(C)cc1SC1COC1"]
["47020082","Cc1cc2c(c(C)c1C1CO1)COC2=O"]
["120658524","Cc1cc(C)c(C)c(N=C(O)C2(C#N)COC2)c1C"]
["73576600","Cc1c(F)cc2c(c1I)OCC2=O"]
["184797049","[2H]P(I)c1sc2c(P([2H])I)sc(P([2H])I)c2c1P([2H])I"]
["162705918","COc1cc2cc(Br)cc(I)c2s1"]
["178970275","Cc1sc2cc(I)sc2c1C#N"]
["162926863","CCc1cc(I)c2sc(OC)cc2c1"]
["185633287","COc1c(Cl)c(Cl)c2[nH]c(=N)sc2c1Cl"]
["163136499","COc1cc(C(F)F)cc2cc(CBr)sc12"]
["179071366","COC(O)c1[nH]c(=N)sc1I"]
["176239847","Cn1c(=O)n(CCCOPI)c(=O)c2c(C=O)c(Br)sc21"]
["163337671","CCOc1cc2cc(CC)cc(N)c2s1"]
["170676604","CC(C)c1cc(F)cc2[nH]c(=N)sc12"]
["162677043","COc1c(I)sc2c(OC)cccc12"]
["162968664","COc1cc2cc(SC)cc(N)c2s1"]
["45817846","[O-]C1=[Si+]C[Si+]=C([O-])[Si-]C[Si+]1"]
["54839208","[O-]C1=[Si+]CCN=C1"]
["58356191","CC1=[N+]([O-])C(C)(C)C(C)(C)C1"]
["64268469","O=C(O)C1CCC([O-])=N1.[Li+]"]
["97515765","[O-]C1=CCCCCC1"]
["23912560","CC1(C)CC(=NO)CC(C)(C)[NH+]1[O-]"]
["34414635","C=CC1C=C([O-])CC1.[Li+]"]
["97004333","[Li+].[O-]/C1=C/CCCCCC1"]
["91220013","c1c2c(cc3c1=[Si+]C3)=[Si-]C2"]
["97462131","O=C([O-])C12C[C](C1)C2.[Li+]"]
["183399868","CC1=[N+]([O-])C(C)(C)[NH+]([O-])C1(C)C"]
["47664042","[Li+].[O-]C1=CCCC=C1"]
["97963323","C=P1(O)CP(=C)(O)SS1"]
["74764586","CC1=CC[P](O)(O)C1"]
["7233442","O=P1(O)CCCP(=O)(O)C1"]
["161748557","OCC1CS[As](O)S1"]
["180575724","CCN1CCS1"]
["175291474","C1CCCCC1.C=C(C)C.CC(C)(C)N"]
["75126478","C#CC1CCSP(=O)(O)S1"]
["178708802","C=P1(OI)OCCO1"]
["75659290","C=C[P]1(O)OCCO1"]
["99777540","C=CC1CCN(C)[P+](=S)S1"]
["65565395","C=C([O])[C+]1CC1"]
["68677144","CC1(C)CN(C(=O)O)CS1"]
["96845911","FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)Cn1cc[n+](CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)c1"]
["78728264","OCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)COCCCCCCCCCCCS"]
["191091169","O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)CF"]
["182765651","[N-]=[N+]=NOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F"]
["99425342","O/C=C/Cn1cc[n+](C/C=C/O)c1"]
["183172014","CCOC[n+]1ccn(CSC)c1"]
["78674154","C[n+]1ccn(CCO[Si](C)(C)C)c1.[Cl-]"]
["185777048","CCCCCCCCCCOCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F"]
["160191296","CCSCn1cc[n+](C)c1.F[B-](F)(F)F"]
["200234903","CC(=O)[O-].COCCOCCCn1cc[n+](CCCOCCOC)c1"]
["170627227","CCO[Si](O)(O)CCCn1cc[n+](CCC[Si](O)(O)OCC)c1"]
["170521974","F[P-](F)(F)(F)(F)F.N#CCCCn1cc[n+](CCCC#N)c1"]
["34712468","O[14C]1=N[14CH2][14CH2][14CH2]1"]
["99201771","N=c1ccn[14c](O)[nH]1"]
["170969907","CCOC(=CC[Si](C)(C)C)CCC(=CC[Si](C)(C)C)OCC"]
["33615650","O[14c]1n[14c](O)n[14c](O)n1"]
["33958495","O=[14C]1N=C(O)[14CH2]C(O)=N1"]
["34320181","N=C1N=[14C](O)N2CC12"]
["184884253","OC[C@@H]1CCCCN[Si]1"]
["33316954","O[14c]1nc[nH]n1"]
["165844380","OC1CC2CCC(C1)N=N2"]
["145653929","CC(=[N+]=[N-])[Si](C)(C)[Si](C)(C)C"]
["34200732","N=c1n[14c](O)[nH][nH]1"]
["33551811","O[14c]1ncc(Cl)cn1"]
["76745477","[O-][NH+](O)C(=C(Cl)NCCO)C(Cl)=C(Cl)Br"]
["79453688","[O]C(=O)NCCO"]
["170182387","C=C(Cl)NCCC"]
["149739990","Cc1cc(Cl)c(Cl)cc1NCCO"]
["45443413","C=C(Br)CNCCN(C)C(C)C"]
["74949175","OCCNC[C@@H](O)c1ccc(Cl)nc1"]
["179261334","C/C(=C\\O)NCCO"]
["88221861","C=C(Cl)CNOCC(C)C"]
["195745855","CN[N-][NH+](C)[NH+]([O-])O"]
["4728674","CCc1ccc(C(=O)NCCO)cc1"]
["48439546","C=C(Br)CNC(CC)(CC)CC"]
["26749513","CN(C)NCCO"]
["74056440","C[N+]1([S-])C=C[N+]=C1"]
["172988588","C[N+]1(C)C=CN=CC1.[Br-]"]
["174506263","CC[N+]1(C2N=NN=N2)C=CN(C)C1"]
["168264584","CC(C)(C)N=Nc1c(O)[nH]c2ccccc12"]
["180058606","C=C(C)[N+]1(C)N=CN=C1C"]
["99806762","CN1C=C[N+](C)(C(=O)O)C1"]
["173024269","CNC1=C2C=C[N+]21C"]
["33461094","CSC(=S)c1ccccn1"]
["100808882","C.O=c1cccccc1O"]
["76192610","CC(O)=Nc1ccc(N)cc1OCCC[N+]1(CCCOc2cc(N)ccc2N=C(C)O)C=C[N+]=C1"]
["159277826","COP(=O)(OC)OC.COP(=O)([O-])OC.C[N+]1(C)C=CN=C1"]
["100305952","Cc1ccc2c(c1)C=C[N+]2(C)c1c(C)[nH]c2ccccc12"]
["100259454","SCC=CP1(CCCS)=[NH+]P(CCCS)N(CCCS)P(CCCS)N1CCCS"]
["162866152","SCCCN1CCN2CCC1C2"]
["61430948","SCCCN1CCN(C/C=C/c2ccccc2)CC1"]
["120698626","CN1CCC(NCCCS)CC1"]
["183730485","SCC/C=C/CCCS"]
["86095108","Cn1ccn(CCCS)c1=O"]
["61286697","C=CP1(CC)=[NH+]P(CC)N(CC)P(CC)N1CC"]
["91573759","O=Cc1cccn1CCCS"]
["120699151","CN1CCC(CCNCCCS)CC1"]
["120747254","CC(C)(C)CC(=O)N1CCN(CCCS)CC1"]
["198396905","SCCCN1CCCCO1"]
["170186499","O=C1C(COCCCS)N(CCCS)C(O)C(COCCCS)N1CCCS"]
["195659866","CC1=C=C2[C-]=c3cc(C)c(C)cc3=C(C)C2[C-]=C1C.CC1=CC2=C=c3cc(C)c(C)cc3=C(C)C2C=C1C.[Y]"]
["120770553","Cc1cc(OC(=O)N2CCCC(=O)C2)ccc1Cl"]
["155701206","CC(C)COc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3"]
["179719690","Cc1ccc[n+]2c1-c1ccccc1[C@H](C)[C@H]2C"]
["MCULE-1561308785","COc1ccc(C)cc1S(=O)(=O)N(CC(=O)c1ccc(C)c(C)c1)c1cccc(Cl)c1"]
["MCULE-5002296176","CCCCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cc(C)c(C)cc1OC"]
["MCULE-9518695677","COc1cc(Cl)c(C)cc1Nc1cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)nc(C(C)(C)C)n1"]
["155710615","Cc1cc(C)n(C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1"]
["152116405","COc1ccc(C)cc1S(=O)(=O)N(CC(O)=NC(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1"]
["111915198","Cc1cc(Oc2c(N)cc(N)c(Cl)c2F)cc(C)c1Cl"]
["171723671","[C+]#[N+]C1=CC(=C2C=C=C([Si](C)(C)C)CN2C)C(C)=C[C-]1[Si](C)(C)C"]
["MCULE-6595414420","CCOc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2C)cc1"]
["79202496","[O-][N+]([SiH3])=N[SiH2]S"]
["79446332","O=[N+]([O-])[N+](=O)[O-].[N]=O"]
["48363395","O=[N+]([O-])[O-].[B]"]
["79059135","O=[N+]([O-])[O-].[Ag].[Na+]"]
["61809881","O=[N+]([O-])[O-].[La+3]"]
["54981345","O=[N+]([O-])[O-].[Pb].[Pb]"]
["21977372","O=[N+]([O-])[O-].[Ir+3]"]
["172765808","O=[N+]([O-])[O-].[Cl-].[Mn+2]"]
["79074312","CN(/[N+]([O-])=N/O)C(C)(C)C"]
["188095338","O=[N+]([O-])N=NO.[Ru]"]
["193580862","O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Au]"]
["56063504","[SiH3]C[SiH2]O[SiH2]C[SiH3]"]
["184278462","[CH2-][CH-]C(C[I]CCC)CC(Br)C(C)[I]C(C)C"]
["162576296","C[C@H](Br)[C@H](C)N=[N+]=[N-]"]
["52703762","CCC(C)CC(C)C(Br)CC"]
["169737313","CCCC(C)C(C)CC(C)SC"]
["64808390","CC(=CC(C)CC(C)Br)CO"]
["60625048","[CH2-]C(C)CCC.[Y]"]
["111059403","CCCS(=O)(=O)NCC(C)OC"]
["59696371","CCCN=C(O)[C@@H](C)N=C(O)[C@@H]1COc2ccccc2O1"]
["78354128","CCCC(N)CC(N)CCCCC(C)Br"]
["93480358","CCS(=O)(=O)NCC(Br)C(C)C"]
["48989868","CCNCC(CC(C)CC)C(C)C"]
["49463627","CCCC(C)[B]C(C)C"]
["192120578","CC(=O)OC1O[C@@H](C)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1Cl.CC(=O)O[C@H]1C=CO[C@@H](C)[C@H]1C"]
["101047153","C=C1C[C@@H](O)[C@@H](O)C(=C)CC[C@@H]2C([C@@H](OC(C)=O)[C@H](/C=C/C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12"]
["147608155","CCC1([N+](=O)[O-])C=CC(C)(OC(C)=O)C=C1"]
["178350625","CCC1O[C@@H](O[C@@H]2C(C)O[C@@H](OCN(Cc3ccccc3)C(=O)OCc3ccccc3)C(N=[N+]=[N-])[C@H]2OC(C)=O)C(C)[C@@H](C)[C@@H]1C"]
["97542682","COC(=O)[C@@]12CN1[C@H]1C=C[C@@H]2O1"]
["48071749","CC(=O)O[C@H]1[C@H](O)[C@@H](C)O[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@]2(C[C@H](OC(=O)/C=C/c4ccccc4)[C@H](C)CO2)[C@@]32CO2)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O"]
["171319514","CCC(=O)O[C@H]1[C@H](O[C@H]2C(CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)CC(OC(C)=O)[C@@H]2OC)O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]1N(C)C"]
["101012415","C=C1C[C@@H](OC(C)=O)[C@@H]2O[C@@]3([C@@H](C)C(=O)O[C@H]3C1Cl)[C@@H](OC(=O)COC(C)=O)[C@@H]1[C@]2(C)C=CC(=O)[C@@]1(C)OC(C)=O"]
["194547508","CC(=O)CC1CCCC(C)C1Cl"]
["MCULE-9207982943","COc1ccc(OC)c2c1cc(C(=O)N1CC(C)OC(C)C1)n2C"]
["60160671","CC(=O)O[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1O"]
["48949429","CC(=O)O[C@@H]1O[C@H](C)[C@@H](OCc2ccccc2)C[C@H]1OC(C)=O"]
["79493021","[3H]OC(=NN([3H])[3H])[C@H](O[3H])[C@H](C=O)O[3H]"]
["161708271","O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CBr"]
["81545591","COCC(C=O)OC(OC)C(O)C=O"]
["176208107","CC(O)C(O)C(O)=NCCOCCO.CC=O"]
["150632090","NC1CCCCC1N.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-].[Pt]"]
["42394912","O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CCl"]
["191173611","C[C@@H]1CNC[C@H](N=C(O)[C@@H](N)C(F)(F)F)C1"]
["69960700","N[C@@H](C=O)C(O)C(O)C(O)COP(=O)(O)O"]
["180530622","NC(O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O"]
["79402144","C=CC(=O)C(C#N)C(O)=NN"]
["179304613","NCC[C@@H](O)[C@H](O)C=O"]
["101360353","C=CC(N)SCC=O"]
["184811015","CN1C(=O)CC(C2C(=O)N(C3CC(=O)N(C)C3=O)C(=S)N2C2CC(=O)N(C)C2=O)C1=O"]
["138696913","CN1CCC(C(O)=NC(c2ccccc2F)C2CCCC2)CC1=O"]
["97023267","CC(=O)N1c2cc(N)ccc2N(C)C(=O)C[C@@H]1C"]
["163887364","CC(C)CC(C)(C)CC(C)(C)N1C(=O)C2C3C=CC(C3)C2C1=O"]
["24412937","CN1C(=O)CN[C@@H]1C(C)(C)C.O=C(O)C(F)(F)F"]
["88754964","CN1CCC(N2C(=O)CNC2C2CCCC2)C1"]
["16700423","CN1C(=O)C[C@H](NCc2ccc3c(c2)OCO3)C1=O"]
["81952887","CN1CC(NCC2C=[N+](C)C(=O)N(C)C2=O)CCC1=O"]
["161086441","CN1C(=O)CCC(NS(=O)(=O)CC2CCCC2)C1=O"]
["162262934","C=C1CC2C(CO)CC(C1=O)N2C"]
["83637197","CCOc1ccc(N2C(=O)CC(N3CC[NH+](c4ccccc4)CC3)C2=O)cc1"]
["183156697","CCOC(=O)C1SC(=O)CC2CC(=O)N21"]
["100858054","B12[BH-]3C4=c5c6c7c([n+]51)-c1c2c2c5c3c3c4c4c6c6c7c7c1c2c1c5c3c4c6c71"]
["97558600","O=c1c2c3c4c5c6c7c8c([c-]9[c-]c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c(c7c7c5c5c4c4c2c2c%20c4c4c5c(c7%19)c%17c4c4c%16c5c%14c%12c7c(c5c4%20)c2c1[c-]%107)c1c8c(c%13c1c%18%15)c%119)[C]6[CH-]3"]
["178608215","CI=[n+]1nccc[c-]1[NH-]"]
["78088914","[NH][n+]1cccnn1"]
["184225883","Cc1ccc[n+](-c2nccnc2C)n1"]
["CSSS06586068101","Cc1c(-c2cccc3ccncc23)ncn1C"]
["185872822","CN(C)C(c1ccccc1)S(=O)c1ncc[nH]1"]
["50377534","Cc1ccnn1C(C(=O)c1ccccc1)c1ccccc1"]
["69581238","CC(C)[n+]1ccncn1"]
["187205790","Cc1cncnc1-c1cccn[n+]1C"]
["195356114","CI=[n+]1c(O)nc2c(Br)cc[cH-][c-]1-2"]
["91378724","FCC[n+]1ccccn1.[Br-]"]
["2406762","CNS(=O)(=O)[c-]1ccc(=NS(=O)(=O)c2cccnc2Cl)cc1"]
["48762131","CNC(C(C)C)C(C)c1ccccn1"]
["76163544","O=P1=P2=P3=PC132"]
["161487704","C=P1=P2=P3=PC132"]
["74053957","CC12P=P1=P2=S"]
["150747062","O=S1(=O)NO1"]
["78542311","P1=P2=P3=PC123"]
["171109821","CN(C)C(=O)C1(Cl)C=CC=CN1"]
["90993003","O=P1=PP(=O)=PP(=O)=P1"]
["81151470","O=C1NC=CC2C=CN=C12"]
["83936552","O=P1=PC1"]
["168605829","O=P1=P2=P[C@@]12O"]
["73536436","O=C(Cl)C1(Cl)C=CC=CN1"]
["76005945","CC1(C)OP([O])OC1(C)C"]
["100210302","CSCCNP1([NH2+]CCSC)=NP2(=NP([NH2+]CCSC)([NH2+]CCSC)=N1)NC=CS2"]
["93378709","CSCCNc1ncc(Br)cc1Br"]
["MCULE-1669739351","CCc1ccc(N=C(O)C(CCSC)NC(=O)c2cccc(Cl)n2)cc1[N+](=O)[O-]"]
["54053198","CSCCNS(=O)(=O)c1ccc(N)cc1"]
["165041809","CCCCSc1nc2ccc(N=C(O)CSc3n[nH]c(N/N=C\\c4cccc(Cl)c4Cl)n3)cc2s1"]
["MCULE-5745323173","COc1ccc(-n2nncc2C(O)=NC(CCSC)C(O)=Nc2ccc(C)c(F)c2)cc1"]
["186994537","CN1CCN(Cc2ccc(C(=O)NCCSSCCOC(=O)O)cc2)CC1"]
["175227331","C=C(OC(=O)N1CCC(Oc2ncnc(Nc3ccc(CCSC)nc3C)c2O)CC1)C1CC1"]
["111348934","CSCCCCNc1nc2ccccc2nc1N"]
["111449486","CSCCCCNCCc1ccc(O)cc1"]
["131736944","CSCCC(C)N(C)C(=O)CCCNC(=O)c1cccs1"]
["6131203","COc1cc(OC)cc(C(=O)/N=c2\\sc3cc(C)ccc3n2CCSC)c1"]
["61608867","[Al+].[CH2]CCCC[O-].[CH3]"]
["79328170","[CH2]CCCCCCC(C)CCC(C)CCCCC"]
["27036234","[CH2]CCCCCC(=O)OCCC"]
["161689506","[CH2]CCS[S-].[Sb+]"]
["26130811","[CH2]CCCCCC(CCC)OC"]
["78240146","[CH2]CCCCCCCC([Si](C)(C)C)[Si](C)(C)C"]
["26504781","[CH2]CCCCCCCCC1CCCCC1"]
["79482772","[CH2]CCCCCCCCCCCC1=CCCC1"]
["79722175","[CH2]CCCCCCCCCCCCCCCCCCCCC[Si](C)(C)C"]
["99615972","[CH2]CCCCCCCCCCCCCCC.[CH2]Cc1ccccc1.[Sb]"]
["26679781","[CH2]CCC(=O)N(C)C(C)(C)C"]
["164436782","[CH2]CCCC/C=C/C=C/C=C/C=C/CC"]
["79751630","P=NPP=NP"]
["173303792","PN=PP=NP"]
["102961740","C=CN=P"]
["185074139","CCCOPNP=NP"]
["101955491","[N-]=[N+]=NPP=N"]
["65875846","PPP=NP(P)P"]
["79832010","CCCCN.CCCCN.P=NP"]
["69526402","CC(O)C(OPP)C(C)N=P"]
["180751530","CC(C)(N=P)P=N"]
["184627992","N#C[B]P=NP"]
["78718542","N#CP=NP"]
["61892800","P=NP.[Y]"]
["180111891","CC1CCC([I+]C2CCC(I=C3[CH-]CC(I=C4[CH-][CH-]C(I)=C(F)[CH-]4)OC3)CO2)OC1"]
["172941798","CC1CCC(NS(=O)(=O)c2ccc3c(c2)/C(=N/O)c2cc(S(=O)(=O)NC4CCC(C(F)(F)F)CC4)ccc2-3)CC1"]
["186470933","C[C@@H]1CCC([C@@H]2CC[C@H](C)CO2)OC1"]
["167161262","C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2c(n1)=NC(=c1ccc(=C3N=CC=N3)cc1)N=2"]
["81827089","C[C@@H]1CC[C@@H](C)N(c2cc3c(cc2-c2ccccc2F)OCC2=NN=C(O)[C@H](C)N23)C1"]
["178383994","CC1CCC([I]C2CC3(C([I]C4C[CH-][C-](I)CC4)CO2)C2CC(C)NCC(C)[C@@H]23)OC1"]
["27338433","CC1(C)COC(CNc2cccc(-c3cc(F)ncc3Cl)n2)CO1"]
["30295135","CCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CO4)c(F)c3F)cc2)c(F)c1F"]
["MCULE-1614206009","Cc1c(C(=O)N2CCCC(C)C2)c(=O)oc2ccc(F)cc12"]
["179151521","COC[C@H]1COC2C3C=CC(F)=CC321"]
["MCULE-9587428013","CC1CCC(C(O)=Nc2ccc(F)c(Br)c2I)CC1"]
["190998550","CC1CCC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC1.CC1COC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC1"]
["170069133","NC(N)=C(N)CC[Si]1([SiH3])O[Si](N)([SiH3])O[Si](N)(C(N)=C(N)N)O1"]
["172729889","CCC(N)=C(CC)[Si](C)(C)N"]
["198365370","C/C(N)=C(C)/C=N/C1CCC(CO)O1"]
["174729766","C/C(N)=C(/N)CCC(N)CO"]
["142724563","Cc1nc(C2(NCCC(C)(C)C)CCC2)no1"]
["187800637","CCCCCC(N)=C(N)N"]
["174013932","CC(N)=C(C)C=NC1CCC(CO)O1"]
["79116763","NCC(N)=C(N)N"]
["170319309","CCCCCCCCC(N)=C(N)N"]
["195537383","[NH-]C(N)C(N)=ICc1nc(CCC(N)=C(N)N)[n-]c(=IC(N)=C(N)N)n1"]
["179408020","CNC[C@@H](C)CNCNCCC(N)=C(N)N"]
["78081574","NCCC(N)=C(CN)CCN"]
["61451411","O=[As]12O[As]3O[As](O1)[As]3O2"]
["51402371","CC1(C)O[As](C)(=O)OC1(C)C"]
["55212886","C1=CC2=CC2C=N1"]
["90985851","O1[As]2[As]3[As]1[As]23"]
["42527920","O=C1CCC(=O)OC(=O)C2(CC(=O)O1)C(=O)CCC2=O"]
["161767723","O=S1N=CN=CO1"]
["24657197","O=[As]12O[As]3(=O)O[As](=O)(O1)O[As](=O)(O2)O3"]
["170564814","O=[As]1(O)O[As](=O)(O)O[As](=O)(O)O1"]
["1098790","O1[As]2O[As]3O[As]1O[As](O2)O3"]
["185069694","O=NN=S1C=NC=N1"]
["53199053","O=[As]1(O)C2=CC=C1C=C2"]
["176017272","O=[As]1(O)CCO1"]
["91187764","N1SNSSNSS1"]
["78155569","N1=NSNS1"]
["145256649","[CH]1NNSN1"]
["57188691","N1SSS1"]
["175074876","[nH]1ssssss1"]
["91226010","N1SSSSSSSSSSS1"]
["54966837","N1SNSNS1"]
["100317505","N1SC2NNC2S1"]
["46903598","C1NSNSNSN1"]
["161924968","SC1C=CSN1"]
["42529701","C1=[NH+]NSS1"]
["175024418","SC1=NSNS1"]
["50986671","[C-]#[N+]c1cc(N)ccc1N(c1ccc([N+](=C2C=CC(N)=CC2=C=[N-])c2ccc(N)cc2C#N)cc1)c1ccc(N)cc1[N+]#[C-]"]
["170472162","CCOC(=O)CC#Cc1cc(N)ccc1OC(F)(F)F"]
["55613082","CC(C)CN=C(O)COc1ccc(N)cc1C#N"]
["111083884","N#Cc1cc([N+](=O)[O-])ccc1OC(C(F)(F)F)C(F)(F)F"]
["159981682","Cc1ccc(N)cc1N(S(C)(=O)=O)S(C)(=O)=O.Cc1ccc([N+](=O)[O-])cc1N(S(C)(=O)=O)S(C)(=O)=O"]
["68215118","CC1(C)OB(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C#N)c4ccccc34)cc2)OC1(C)C"]
["85546463","CCN(c1cccc(C)c1)c1ccc(C#N)c(N)c1"]
["114359198","COc1cccc(C#N)c1Nc1ccc(N)cc1"]
["121193444","CCS(=O)(=O)N(C)CCCNc1ccc([N+](=O)[O-])c(C#N)c1"]
["115181310","CCN(Cc1ccco1)c1ccc(CNC)cc1C#N"]
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["51513992","CSC#CSC#C[S-].[Na+]"]
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["97833339","CC(C)C[C@@H]1[N-]C(=O)[C@@H](C[NH2+]S(=O)(=O)[c+]2[cH+][cH+][cH+]c3c(=[N+](C)C)[cH+][cH+][cH+]c32)[NH+]=C(O)[C@H](CC[N-])[NH+]=C(O)[C@@H]([N-])CC[N-]C(=O)[C@H](C(C)O)[NH+]=C(O)[C@H](CC[N-])[N-]C(=O)[C@H](CC[N-])[N-]C1=O"]
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["170192587","C(CCOC1NC(C2CCCSS2)SS1)CCC1CCSS1"]
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["171783121","CCCCC/C=C\\C/C=C\\CCCCCCCCON(CCCC1CCCNC1)OCCCCCCCC/C=C\\C/C=C\\CCCCC"]
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["102925493","O=C(O)CCCCCCCCCCCOC(=O)CCCCC1CCSS1"]
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["31978592","COCCN(CC(C)C)c1ccc(OC)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12"]
["187012913","CC#Cc1cc(C)c(C2C(=O)CC3(CCC(N=C(O)c4nccnc4C)CC3)CC2=O)c(C)c1"]
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["188185397","CC#Cc1cc(C)c(C2C(=O)CC3(CC2=O)CN(C(=O)/C=N/OC)C3)c(C)c1"]
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["33823688","O=C(Cl)C1C23c4c5c6c7c8c9c%10c%11c(c%12c%13c%14c%15c%16c(c4c4c%17c5c7c5c7c8c8c9c9c%11c%11c%12c%14c%12c%14c%15c%15c%16c4c4c%17c5c5c7c7c8c8c9c%11c%12c9c%14c%11c%15c4c5c%11c7c89)C%132)C13C6%10"]
["70604064","CN1CC23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%17c2c2c4c4c6c6c8c8c9c9c%11c%11c%18c%12c%15c%12c%16c%15c%17c%16c2c2c4c6c4c8c6c9c%11c8c(c%12%18)c%15c9c%16c2c4c6c98)C3(C1)C%14C5C71CN(C)CC%13%101"]
["91260706","C1=CC2=NC(=C3C=CC(=N3)C=CC3=NC(=C4C=CC1=N4)N=N3)NN2"]
["150229959","O=C1C=CC(=C2N=NC(=C3C=CC(=O)C=N3)NN2)N=C1"]
["112282964","N[C@H](CO)C1=N/C(=C2\\C=CC(=O)C(C(F)(F)F)=C2)NO1"]
["55592582","CCCC1=C(SC)NN/C1=C1\\N=c2ccc(C)cc2=N1"]
["97393501","C1=CC2=NC1=CC=c1cnc(s1)=C1C=CC(=N1)/C=C\\C1=S=C2N=C1"]
["81197251","O=C1C=C/C(=C2/N=N/C(=C3/C=CC(=O)C(S(=O)(=O)[O-])=C3)NN2)C(S(=O)(=O)[O-])=C1.[Na+].[Na+]"]
["165353296","CC1=N/C(=C2/NNC(N)=C2C)C=C1"]
["106640312","Cc1cccc(C2=NC(=C3C=C([N+](=O)[O-])C=CC3=O)NN2)c1"]
["106640299","O=C1C=CC([N+](=O)[O-])=CC1=C1N=C(c2cccc(O)c2)NN1"]
["65127130","CCC1=N/C(=C2\\C=NC(C3(N)CCC3)=N2)NN1"]
["99750035","CC1=CC(=O)C=C/C1=C1\\N=C(O)NN1"]
["75549576","COCC1=NC(=C2C=C[N]N2C)N=N1"]
["174951280","[B+]=C1[N-]C2=[N+]([N-]1)[C-](N)C(=[B+])C(=[B+])[N-]2"]
["99732796","[B+]=C1C=C(C)C(N)=C(C)[N-]1"]
["99734163","[B+]=C1[N-]C(Cl)=C(N)N=C1Cl"]
["195341131","[B+]=C1C[C-](N)N=C=C1C"]
["175364395","[B+]=C1C(=[B+])[C-](N)C(=[B+])[CH-][C-]1C"]
["174284801","[B+]=C1[N-]C(=[B+])[C-]([CH-][O-])C(=[B+])C1=[B+]"]
["175736523","[B+]=C1C(C)=C(N)S[C-]1N"]
["176482032","[B+]=C1[N-]c2cc(C)c(C)cc2[N-]C1=[B+]"]
["174002813","[B+]=C1[N-]C(=[B+])[C-](O)[C-](C(O)=NO)C1=[B+]"]
["173828253","[B+]=C1[N-]C(=[B+])C([NH-])C=C1F"]
["174553384","[B+]=C1[N-]S[C-](C)C1=[B+]"]
["179698475","[B+]=C1[N-]C(Br)=C(N)N=C1Cl"]
["172202300","[CH][Si-](=[CH+])(CCC[Si]([O+]=[CH+])([O+]=[CH-])[O+]=[CH-])O[Si-](=[CH+])([CH-])CCCC(C[CH-])(CCC[Si-](=[CH+])([CH-])O[Si-](=[CH+])([CH-])CCC[Si]([O+]=[CH+])([O+]=[CH+])[O+]=[CH-])CCC[Si-](=[CH+])([CH-])O[Si-](=[CH+])([CH-])CCC[Si]([O+]=[CH-])([O+]=[CH-])[O+]=[CH-]"]
["172202304","[CH]=[O+][Si](CCCCC[CH-])([O+]=[CH-])[O+]=[CH-]"]
["184091059","CC(C)NC1CN(C2=CC(N)=NC(N)N2CC(C)(C)C)C1"]
["193202547","C.C.CO[Si](C)(CCCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C[Si](C)(OC)OC)OC"]
["160048133","CO[Si](CCCC(CCC[Si](OC)(OC)OC)(CC(=O)S)CC(=O)S)(OC)OC.CO[Si](CCCOC(=S)CCCC(=S)OCCC[Si](OC)(OC)OC)(OC)OC"]
["129153779","C#CCOc1ccccc1NC(=O)C(=O)NCCCn1ccnn1"]
["199788228","[CH][Si-](=[CH+])(OCC(=O)CC1(C(=O)[O+]=[CH-])CCN(C(=O)OC([CH+])([CH-])[CH-])CC1)C([CH+])([CH+])[CH-]"]
["99477919","CO[Si](C)(CCCC(CCC[Si](C)(OC)OC)(CCC[Si](C)(OC)OC)CCC[Si](C)(OC)OC)OC"]
["25695681","CO[Si](C)(CCCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C[Si](C)(OC)OC)OC"]
["80009715","C#C[Si](C)(O[SiH2][Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](C)(CCC(F)(F)F)C(C)(C)C)[Si](O[SiH2]O)([SiH2]O)[SiH2]O"]
["172202301","[CH+]=[O+][Si](CCCC([CH-])(C[CH-])CCC[Si]([O+]=[CH-])([O+]=[CH-])[O+]=[CH-])([O+]=[CH-])[O+]=[CH-]"]
["141716226","O=C(NCCCn1ccnn1)C(=O)Nc1ccccc1OC(F)(F)F"]
["53095325","CC1=C(C)C2=C3CC(=c4[nH]c(c(C)c4C)=c4[nH]c(c(C)c4C)=C4CC(=C5N=C(C(C)=C5C)c5[nH]c(c(C)c5C)C5=C(C)C(C)=C(C5)c5[nH]c(c(C)c5C)C1=N2)C(C)=C4C)C(C)=C3C"]
["60129813","CCC1=C(C)C2=c3[nH]c(c(CC)c3C)=c3[nH]c(c(C)c3CC)=C3N=C(C(CC)=C3C)C(c3ccccc3)=c3[nH]c(c(C)c3CC)=c3[nH]c(c(CC)c3C)=C(c3ccccc3)C1=N2"]
["49418713","CC1=C(C)C(/C=c2/[nH]/c(=C(/c3[nH]c(/C=C4/N=C(O)C(C)=C4C)c(C)c3C)C(C)(C)C)c(C)c2C)=NC1=O"]
["187482955","CSc1cnc2c(c1C)NCCS2=O"]
["168333633","CCCCCOC(C)C1=C(C)C2=NC1=C(Br)C1=NC(=C(Br)c3cc4c([nH]3)=C(CC=4O)C3=NC(=C2Br)C(C)=C3CCC(=O)O)C(CC)=C1C"]
["33141177","CCOC(=O)c1[nH]c(-c2[nH]c(C3=N/C(=C\\c4[nH]c(-c5[nH]c(-c6[nH]c(C(=O)OCC)c(C)c6C)c(C)c5C)c(C)c4C)C(C)=C3C)c(C)c2C)c(C)c1C"]
["168305085","CC1=C2N=c3c(cc4ccncc4c3=c3[nH]c(c(C)c3C)=C(C)c3[nH]c(c(C)c3C)C(C)c3[nH]c1c(C)c3C)C2(C)C"]
["90690259","CC1=C(C)C2=C(c3ccccc3)c3[nH]c(c(C)c3C)C=c3[nH]c(c(C)c3C)=C3N=C(C(=CN(C)C)C1=N2)C(C)=C3C"]
["103044673","CC1=C(C)C2=C(C)C3=NC(=C(C)C4=NC(=C(C)C5=C(C)N(C)C(=C(C)C1=N2)C5(C)C)C(C)=C4C)C(C)=C3C"]
["159137029","CN[C@H]1CO[C@@H](c2ncc(C)s2)C1"]
["62532182","COC(=O)C1CC2=C(CC1C(=O)OC)C1=C(c3ccccc3)c3[nH]c(c4c3CC(C(=O)OC)C(C(=O)OC)C4)C(c3ccccc3)=C3N=C(C4=C3CC(C(=O)OC)C(C(=O)OC)C4)C(c3ccccc3)=c3[nH]c(c4c3CC(C(=O)OC)C(C(=O)OC)C4)=C(c3ccccc3)C2=N1"]
["86463641","Cc1cnc(CN=c2cc(Cl)nc(C(C)(C)C)[nH]2)cn1"]
["167357898","C12=C3C4c5c6c7c8c9c5C3C3C5=C1C1c%10c%11c%12c%13c%14c%10-c%10c%15c%16c%17c%18c%10C1C2=C1C%18=C2C(=C6C6C7C7C%10c%18c%19c%20c%21c%22c%18C%18C%23C%22=C(C%13C%21C(=C%15%14)C%20C%16C%13=C%19C%10C6C2C%13%17)C%12C2C(=C5%11)C3=C9C(C8C%187)C2%23)C14"]
["167358036","C12=C3C4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c5c5c7c9c7c%11c%13c%16c%18c7c%205)=C5C7=C9C(=C1C1c%11c9c9c%13c%16c%11-c%11c%18c%20c%21c%22c%11C1C2=C1C%22=C(C=8C1C36)C%10C%21C=%12C%20C%14C(=C%16%18)C%15C%13C=%17C9C7%19)C54"]
["180956596","C1CCC(C2CCC3=C2C2=C3c3c(c4c5c(c3=4)C3=C(C(C4CCCC4)CC3)C5C3CCCC3)[C@H]2C2CCCC2)C1"]
["101770252","CCOC(=O)C1(C(=O)OCCCC#C[Si](C)(C)C)C23c4c5c6c7c8c4-c4c9c%10c%11c(c42)-c2c4c%12c%13c%14c2C13c1c-5c2c3c(c1-%14)C1C%13c5c-%12c%12c%13c%14c5C5C%15=C%16C(=C3C51)C(c1c%16c3c5c(c1-7)C8C9c1c-5c(c-%13c(c1-%10)C%12C%114)C3C%15%14)C26"]
["172093953","C1=CC2C3C=CC4C5=c6c7c8c9c%10c6=C(CC5)C5CCC6C%11=c%12c(c-9c9c%13c%12=C(CC%11)C1C%13C2C(=C98)C3C74)C6C%105"]
["173471949","CC12C3=C4C5C6C7=C3c3c8c9c%10c%11c%12c%13c(c7c3%11)C3C7C%11=C%14C%15=C%16C%11C%11C%17=C%18C%19=C%20C%21=C(C%22=C9C(C81)C1(CC(=O)OCCSSCCO[N+](=O)[O-])C(C%20%22)C8C%19C(C%18%16)C9C%15C(C5C%14C63)C3C4C2C1C8C93)C%10C%12C(=C%11C%137)C%21%17"]
["177094984","Brc1ccc(C23C4=C5C6=C7C8=C9C%10C%11C%12=C%13C%14C%15C%16=C%17c%18c%19c%20c%21c%22c%23c%24c(c%16c%18%22)C%14C%11C%24C%11C%14=C%23C%21=C%16C(C6C6C4=C4C2=C2C(C%17C%17C%15C%13(c%13ccc(Br)cc%13)C%13=C(C(C3=C%13C2%17c2ccc(Br)cc2)C58c2ccc(Br)cc2)C9%12c2ccc(Br)cc2)C%19C4C%20C%166)C%14C7C%10%11)cc1"]
["178223217","CC1C2=C(C3=C1C1C3C3C1c1c4c5c(c-4c1[C@H]3C)[C@H](C)C1=C3C(=C15)C1C4=C(CC4)[C@H]31)[C@H](C)C1=C2C2=C(C3=C2CC3)[C@@H]1C"]
["177094991","c1ccc(C23C4=C5C6=C7C8=C9C%10C%11C%12=C%13C%14C%15C%16=C%17c%18c%19c%20c%21c%22c%23c%24c(c%16c%18%22)C%14C%11C%24C%11C%14=C%23C%21=C%16C(C6C6C4=C4C2=C2C(C%17C%17C%15C%13(c%13ccccc%13)C%13=C(C(C3=C%13C2%17c2ccccc2)C58c2ccccc2)C9%12c2ccccc2)C%19C4C%20C%166)C%14C7C%10%11)cc1"]
["177094977","CC12C3=C4C5=C1C1(c6cc(F)cc(F)c6)C6C7=C8C9=C%10C%11=C%12C(=C%13C%14C%15C%16=C%17c%18c%19c%20c%21c%22c%23c%24c%25c%21c%18C%18=C%25C%21C(C%24=C7C%23C9C7=C%22C%20=C9C(C%107)C%12C%14C9C%16%19)C6C5(c5cc(F)cc(F)c5)C%21C5C%18C%17C(C%15C%133c3cc(F)cc(F)c3)C45c3cc(F)cc(F)c3)C2(c2cc(F)cc(F)c2)C%11C81"]
["184656377","C=C1/C2=C\\C3=C4C5C(C)=C6/C7=C8/C(C)CC9C%10=C%11C=C7C7C%12C%13=C%14C%15C%16=C%17C%18c%19c%20c%21c%22c(c%10c(c%10c%22c%19C%16=C%13%10)C%11%12)C%10=C%21C(C%11CC3C(C4C%17C%15C5C6C%147)C%18C%20%11)C1C(C(C)=C2C8C)C%109"]
["177094967","Clc1ccc(C23C4=C5C6=C7C8=C9C%10C%11C%12=C%13C%14C%15C%16=C%17c%18c%19c%20c%21c%22c%23c%24c(c%16c%18%22)C%14C%11C%24C%11C%14=C%23C%21=C%16C(C6C6C4=C4C2=C2C(C%17C%17C%15C%13(c%13ccc(Cl)cc%13)C%13=C(C(C3=C%13C2%17c2ccc(Cl)cc2)C58c2ccc(Cl)cc2)C9%12c2ccc(Cl)cc2)C%19C4C%20C%166)C%14C7C%10%11)cc1"]
["70124062","CC#C[C+]=C=[Si-][O+]=[Si-]C[Si-]=[O+][Si-]=C[CH+]C(C=[Si-](C)(C)O[Si](C)(C)C[Si](C)(C)O[Si-](C)(C)=C=C=C=C(C)C)=[Si+][O+]=[Si-][O+]=[Si]=C1C#C[Si](C)(C)O[Si](C)(C)C[Si](C)(C)[O+]=[Si-]C#CC([CH+]C)=[Si-][O+]=[Si-][O+]=[Si-]CCC=[Si+][O+]=[Si-]C[Si](C)(C)O[Si](C)(C)C#CC(=CC)[Si](C)(C)O[Si]([O+]=[Si](C)C)([O+]=[Si](C)C)O[Si-](C)(C)=C(C#CC)C=[Si-](C)(C)O[Si](C)(C)C[Si](C)(C)O[Si-](C)(C)=C1"]
["176007311","C#C.C1=CC=CN=CC=1.C=Cc1c(/C=C\\Cc2cc(C)ccc2-c2ccccn2)n(C2=C/Cc3cc(-c4ccccn4)c(C4=CCCC=N4)cc3OC/C=C\\2)c2ccc(-c3ccccc3-c3ccccn3)cc12"]
["190765066","CC1=CC(C)(C)[NH+](C)c2cc3[o+]c4cc5c(cc4c(-c4ccccc4C=O)c3cc21)C(CS(=O)(=O)[O-])=CC(C)(C)C5C.COc1cc([C@@H](OCc2cn([C@H]3CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c3c2C(N)NC(=N)N3)C(C)(C)C)c([N+](=O)[O-])cc1C#CCCC(C)=O"]
["70124063","CC[Si+]=[O+][Si-]C[Si-]=[O+][Si+]=CC1=[Si-](C)(C)O[Si](C)(C)O[Si-](C)(C)=C(C=[Si-](C)(C)O[Si](C)(C)C[Si](C)(C)O[Si](C)(C)CC)C(C)=C[Si](C)(C)O[Si](C)(C)C[Si](C)(C)[O+]=[Si]C[Si+]=[O+][Si]#C[C-]=C(C=[Si-](C)(C)O[Si](C)(C)C)[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C(C#C[Si](C)(C)O[Si](C)(C)C)C(C)[Si](C)(C)O[Si](C)(C)C[Si](C)(C)O[Si](C)(C)C[Si](C)(C)O[Si](C)(C)C=C1"]
["76421835","CC=C(C)[Si+]=c1ccc(=C([O-])[O+]=[O+]C(=O)OCC(C)(COC(=O)OOC([O-])=c2ccc(=[Si]=C(C)[CH+]C)cc2)COC(=O)OOC([O-])=c2ccc(=[Si-]C(C)=CC)cc2)cc1"]
["99072600","O=C(CC1CC1c1nnn(CCCc2ccc3c(n2)NCCC3)n1)OC(=O)CC(Cc1ccccc1)C(C1=COCO1)c1nnc(CCCc2ccc3c(n2)NCCC3)o1"]
["91973289","NNC(c1cc2c(s1)CCSC2)c1ccc(F)c(F)c1F"]
["114014497","CC1(C)CN(C(=O)c2cc(F)cc(N)c2F)CCS1"]
["28187407","Nc1nsnc1C(O)=Nc1ccc(F)c(Br)c1"]
["104564994","CN[C@H](c1ccc(C)c(F)c1)c1cc(C)sc1C"]
["92052941","CC/C(=C\\c1ccc(F)c(F)c1)CN"]
["120044819","NNC(Cc1ccncc1)c1cnc(C(F)(F)F)s1"]
["92007202","CCc1nnc(C)cc1C(NN)c1ccc(C)s1"]
["66944095","CNC(Cc1ccc(OC)cc1)c1ccc(F)c(F)c1F"]
["163330808","CC(C)[C@@H](N)c1cc2c(cc1F)OCC2"]
["MCULE-3508584054","COc1ccc(F)c(F)c1-c1ccc2c(c1)CCN2C(=O)c1cccn1C"]
["CSSS20447600699","CC(NC1CCc2c1ccc(F)c2F)c1ncco1"]
["92291082","Cc1cccc(C(NN)C2CCc3cccnc32)c1C"]
["100235982","C#C[NH+]=C(NCNC(=NCC)NCC)[NH2+]CC.[HH]"]
["118985908","CCN=C(NCc1ccc(C(N)=O)o1)NCc1ncc(CC)s1"]
["116611925","CCN=C(NCc1ccc(C)cc1OCC)NCC(O)c1ccco1"]
["117734900","C=CCNC(=NCC)NCc1ccc(S(=O)(=O)N(C)C)s1"]
["117957599","CCN=C(NCCNS(=O)(=O)CC)NC(C)CCC(C)C.I"]
["117923070","CCN=C(NCCc1ccc(OC)cc1)NCC(OC)c1ccccc1.I"]
["118680170","CCN=C(NCC(=O)N1CCCC1)NCc1ncc(C)c(OC)c1C.I"]
["117928954","CCN=C(NCc1ccc(NC(O)=NC(C)C)cc1)NCc1ccccc1Cl.I"]
["118797219","CCN=C(NCc1nc(C(F)(F)F)cs1)NCC(C)N1CCOCC1C.I"]
["118450661","CCN=C(NCCn1cnnc1CC)NCC(C(C)C)N1CCCC1"]
["118391090","CCN=C(NCCCN(C)C)NCC1(c2cccc(Cl)c2)CC1"]
["118739583","CCN=C(NCc1ccc(O)c(OCC)c1)NCC(C)Oc1cccc(F)c1.I"]
["52321356","O=P(=O)Oc1cc([N-]C([OH2+])=C2C=CC(=[NH+]C(=[OH+])[NH+]=C3C=CC(=C([OH2+])[NH2+]c4cc(OP(=O)=O)cc(O[P+](=O)O)c4)C=C3)C=C2)cc(OP(O)O)c1"]
["168465353","O=C1C=CC(=[NH+]C(=O)c2cc(C(=O)[N-]c3ccc(OC(=O)c4ccc(N(O)O)cc4)cc3)cc(C(=O)[NH2+]c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c2)C=C1"]
["50222395","COc1cc(C(=O)[NH+]=C2C=CC(=C(O)Cn3ccc4cc(=O)c(OC)cc-4c3C)C=C2)cc(OC)c1OC"]
["152894104","COc1ccc(N=C(O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1"]
["MCULE-5122249398","COc1cc(CC(=O)Nc2ccc(-c3cc(F)c(F)cc3OC)c(C#N)c2)cc(OC)c1"]
["175431749","CN(C)C=Nc1ccc([N-]C(=O)C(F)O[P+](=O)OC(F)C(=O)Nc2ccc(N=CN(C)C)c(C#[NH+])c2)cc1C#N"]
["161424960","COc1cc(C(=O)N2CC34CC(CC23)C4)cc2nc(-c3cc4cc(NCC5CC5)ccc4n3CC3CC3)n(C)c12"]
["183646566","CN1C=CC=C(N=[N+]=[N-])C1=C(O)[NH+]=C1C=CC(=O)C=C1"]
["82974471","COc1ccc(CN2C(=O)[NH+](Cc3ccc(OC)cc3)C(c3cccc(OP(O)O)c3)C2c2cccc(OP(=O)=O)c2)cc1"]
["177916387","CCOc1cc(OP(=O)=O)cc(-c2ccc([C+](O)[N-]C[NH+]=C(O)C(CCc3ccccc3)C(CC)[NH+](C=O)OCc3ccccc3)o2)c1"]
["73781086","O=[PH](O)Oc1cc(OP(O)O)c2ccc3c(O[PH](=O)O)cc(O[PH](=O)O)c4ccc1c2c34"]
["186850055","COc1ccc2cc(C(=O)[N-]c3ccc(C[NH2+]CCCO[P+](=O)O)cc3)cc(N(C)C)c2c1"]
["174602844","[B]C1CC2([B-])OC2CC12CCI(=[B])(C1CCC3([B])CC3C1O)OC2"]
["159176625","Nn1c(S)nnc1[C@@]12COC[C@@H]1C2"]
["156201885","C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C"]
["199777140","CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=NO)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(/C(CO)=N/O)O1"]
["77005948","CC1CCC2C(C)C3CCC4=C5CC(O)C6CC(O)CCC6(C)C5CC4C3CN2C1"]
["179497334","C=C(C)CCC(=O)[C@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3C[C@@H](I)C4CC(O)CC[C@]4(C)[C@]3(I)[C@@H](O)C[C@@]12C"]
["98064195","C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@H]2O)OC1(C)C"]
["180918028","C[N+]1=C2C3CCC1(C)C2(C)C3"]
["173047963","[B][C@@]12CCC3=C4CCC([C@H](C)CCCC(C)C)C4(C)CCC3C1(C)CCC(C1CC1)C2"]
["97582341","CCCCC1(CCCC)OOC2(CCC(C(C)(C)C)CC2)OO1"]
["195039708","CC(C)[C@@]1(O)C(=O)[C@@H]2[C@H](CC[C@@]2(C)O)[C@@](C)(O)CC1O"]
["100444459","O[C@@H]1COC[C@@]2(CCC[C@@H](N3CCCC3)[C@@H]2O)C[C@@H]1O"]
["170593110","ClP(Cl)(Cl)=NC1=NC2=NC(N=P(Cl)(Cl)Cl)=NC3=[NH+]C(N=P(Cl)(Cl)Cl)=NC(=N1)N23"]
["119130338","CC(C)c1nn(C)c(Cl)c1C(O)=NC(CO)CC(C)(C)C"]
["101046260","N=C=NC1=NC2=NC(N=C=N)=NC3=NC(N=C=N)=NC(=N1)N23"]
["188808087","CSC1=NC2=CC(Cl)=CC3=NC(SC)=NC(=N1)N23"]
["33036501","CP(C)(C)=NC1=NC2=NC(N=P(C)(C)C)=NC3=NC(N=P(C)(C)C)=NC(=N1)N23"]
["13166510","OC(=Nc1cccn2nc(C3CCC3)nc12)C1CCC1"]
["73671723","C1=NC=CN2[N]C=CC=12"]
["91316463","C=CC1=NC2=NC(C=C)=NC3=NC(C=C)=NC(=N1)N23"]
["156230800","Br.Br.Cc1c2nc3ccccc3c-2ccn1Cc1ccc(Cn2ccc3c4ccccc4nc-3c2C)cc1"]
["14474920","OC(=Nc1cccn2nc(C3CCC3)nc12)C1CC1"]
["74227033","O=c1c2ccccc2cnn1Br.O=c1c2ccccc2cnn1Cl"]
["184010748","[N-]=[N+]=Nc1nn(Cc2ccon2)c2cc(Cl)ccc12"]
["69615514","CC=COOOCCON1CN(C=COOOCCOO)CN(OOOOC=CO)C1"]
["99951884","CC=COCCOOOOOCCCCCCCCCCCC.CC=COCCOOOOOCCCCCCCCCCCC.O=P(O)(O)O"]
["98691001","CC=COC=CC(C)OC=CC"]
["99327682","C/C=C/OOOOOOOCCCCCCCCCCCCCC(C)C"]
["52722371","CCC(C)(C)C(=O)OCCOOO/C=C/OC"]
["110845112","C/C=C\\O/C=C\\O"]
["73641712","CSc1ccc(C(=O)C(=O)OCCOO/C=C\\O)cc1"]
["193901880","C=C.O=C(OCCOO/C=C\\O)C(=O)c1ccccc1"]
["99327709","C/C=C/OOOOOCCCCCCCCCCCC.O=P(O)(O)O"]
["59393770","C/C=C/OCCON1CN(/C=C\\OCCOO)CN(OO/C=C\\O)C1"]
["147780982","C#C[C@]1(O)[C@@H]([C@H](O[P+]#P)[C@H](C)CC=C)[C@H]2[C@@H](C[C@H]1C)C2(C)C"]
["173006762","CC=COOOOOOOOOCCCCCCCCCCCC"]
["50347984","CCN(CC)O[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](ONC(C)C)(ON(CC)CC)O1"]
["125518773","CCC(C)CN(C)C(=O)C(=O)Nc1cccc(COC(C)C)c1"]
["162557629","CCC#CC(C)N(CC)CC"]
["53023485","CCC[Si]1(C(C)OCC(C)C)O[Si](CCC)(C(C)OCC(C)C)O[Si](CCC)(C(C)OCC(C)C)O1"]
["126849645","CCC(C)N=C(O)Cc1csc(NC(=O)c2ccc(Br)o2)n1"]
["146258528","CCN(C(=O)CNC)C(C)c1cccc(OC)c1"]
["197478383","CCNC(C)C1(O)C=CC(C)CC1"]
["47236706","CCCC[Si]1(C)O[Si](C)(ON(CC)CC)O[Si](C)(ON(CC)CC)O[Si](C)(ON(CC)CC)O1"]
["113063630","CC(NCC(O)C(=N)O)c1csc(Cl)c1"]
["67643100","CCN(CC)C(C)C(=N)S"]
["25374952","CCN(C)O[Si]1(ON(C)CC)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1"]
["51675351","CCC(C)NCc1cc(Br)cs1"]
["174017731","NCCNC1=CC2=CN(NCCN)C=C3C=CC=CC32C=C1"]
["176544374","CC(C)C1=NC=CC(C)(NCCN)C=N1"]
["52306568","NCCNc1cc2[nH]ccc2c2ccccc12"]
["182884709","COc1cc(C2C(=O)CC3=CN(NCCCN)C=C4C=CC=CC43C2=O)cc(OC)c1OC"]
["162444915","CC(C)(C)OC(O)=Nc1ccc(NCCN)cn1"]
["26759419","NC12C=CC=CC1=COc1ccccc12"]
["144777095","CC(C)c1ncc(NCCN)c(C(C)C)n1"]
["161945167","C1=CC2=CN=CC2(Nc2ncc3ccccc3n2)C=C1"]
["183050666","COc1cc(CNC2=CC(O)C(C)(C)C=C2)cc(OC)c1OC"]
["145120775","NCCNc1cc(Nc2ccccc2Cl)ncn1"]
["144775212","COc1ccccc1-c1c(NCCN)cnn1C"]
["179090555","NCCNc1cncc(C(F)(F)F)c1"]
["174031369","[B+]=c1c(=[B+])c(=[B+])c2c(-c3[cH-][cH-]cc4oc5c[cH-][cH-]cc5c34)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(-c3c[cH-][cH-]c4ccc5c[cH-][cH-]cc5c34)c2c1=[B+]"]
["173857254","[B+]=c1c(=[B+])c(=[B+])c2c([C-]3[CH-][CH-][CH-][CH-][CH-]3)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(-c3ccc4c(c3)oc3cc5c(cc34)=C[CH-][CH-]C=5)c2c1=[B+]"]
["174119614","[B+]C(=[B+])/C([B+])=C(/[B+])c1c(C)c(C)c2c(=[B+])c(=[B+])c(=[B+])c(=[B+])c2c1-c1cc(-c2c[cH-][cH-][cH-][cH-]2)cc(-c2c[cH-][cH-][cH-][cH-]2)c1"]
["174119950","[B+]=c1c(=[B+])c(=[B+])c(=C2[N-]c3ccccc3N2c2c3ccccc3c(-c3cc4c[cH-][cH-]cc4c4c[cH-][cH-]cc34)c3ccccc23)c(=[B+])c1=[B+]"]
["174071515","[B+]=C1C(=[B+])C(=[B+])[C-](c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5c[cH-][cH-][cH-][cH-]5)c5cc(-c6cccc7ccccc67)ccc45)c23)C(=[B+])C1=[B+]"]
["200019782","[B+]=c1c(=[B+])c(=[B+])c2c(-c3c[cH-][cH-][cH-][cH-]3)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(-c3ccc4oc5cc[c-]6[cH-][cH-][cH-]cc6c5c4c3)c2c1=[B+]"]
["174027194","[B+]=c1c(=[B+])c(=[B+])c2c(-c3cccc4oc5cc6c(cc5c34)=CCCC=6)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(C3=[C-][CH-][CH-][C-]=C3c3c[cH-][cH-][cH-][cH-]3)c2c1=[B+]"]
["168601433","Oc1ccc2cc3c(c4cc(-c5ccccc5)cc1c24)=CN=N3"]
["174037509","[B+]=C1C(=[B+])[C-](N(C2=[C-]CCC(c3c[cH-][cH-]c4c[cH-][cH-]cc3-4)=[C-]2)C2=[C-]CC[C-]=C2c2[cH-][cH-]cc3oc4c5c[cH-][cH-]cc5ccc4c23)C(=[B+])C(=[B+])C1=c1c(=[B+])c(=[B+])c(=c2c(=[B+])c(=[B+])c(=[B+])c(=[B+])c2=[B+])c(=[B+])c1=[B+]"]
["198325780","c1ccc(-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3ccc(-c4ccccc4)c4c3oc3ccc5ccccc5c34)n2)cc1"]
["161290827","c1ccc(-c2c3ccccc3c(-c3ccc(-c4cc5oc6ccc7ccccc7c6c5c5ccccc45)cc3)c3ccccc23)cc1"]
["175624714","[B+]=c1c(=[B+])c(=[B+])c(=c2oc3ccccc3c2=c2c3c[cH-][cH-]cc3c(=c3ccc(=[B-](O)O)cc3)c3c[cH-][cH-]cc23)c(=[B+])c1=[B+]"]
["173403498","[Te]C1=C(C[Te-])C=CC(=[Te])[CH+]1.[Te]CC1=Cc2c(c2=[Te])C1=[Te]"]
["90568783","OCC1=C(CO)C=CC(CO)=C(CO)C=C1"]
["170248221","Cc1ccc2nc(C(F)(F)F)cc(N[C@H]3CCCCC3CN=C(O)c3ccccc3C)c2c1"]
["86835529","CNC(Cc1ccc(Cl)c(Cl)c1)c1cc(C)cc(Cl)c1"]
["32288846","OCC1=CC(CO)=C(CO)/C=C\\C(CO)=C1"]
["79581660","CCC[C]1C(CCC)=CC(CCC)=C1CCC.CCC[C]1C=CC(CCC)=C1CCC.[Fe]"]
["173596215","[B+]=C1C=CC2C=CC(CC[O-])=CC2=C1"]
["162077981","CCC(N=O)=C1C=CNC(N)=C1"]
["174402808","N=C(O)N(N)c1cnn(CCO)c1N(N)C(=N)O"]
["75182697","N=C(O)C1=CC(=CCCO)C=C[C]1F"]
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["79544358","Cc1c(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)cc2[nH][c]c(-c3c(F)c(F)c(F)c(F)c3F)c12"]
["173985582","[B]C(/C=C\\C)(CCC)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F"]
["73878985","CCCCNC.Cc1c(F)c(F)c(F)c(C(F)(F)F)c1-c1c(F)c(F)c(F)c(F)c1F"]
["MCULE-6270078032","Fc1c(F)c(F)c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCSC4)c(F)c1F"]
["53529964","Fc1c(F)c(F)c(C#CCc2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["192407026","OB(Oc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F)Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F"]
["24319936","O=S1(=O)CC23CC=CCC2(CC=CC3)C1Cl"]
["161805508","CC1C=CC=C2SC(O)(C(=O)O)CN21"]
["66103011","C=C(C)C1([N+](=O)[O-])CC=CCC1"]
["163850090","CC1(C)CNC1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1"]
["26609367","O=S1(=O)C#CC=CC1"]
["25042703","CSC1(S(C)=O)CC=CC1"]
["109515475","N#CC1=C(N)C[C@]23CC=CC[C@@]12CCC3"]
["154242309","O=S1(=O)[C@@]2(Cl)C=C[C@@H]3[C@H](C=C2)[C@]31Cl"]
["59200076","NCCN=C(O)C1CSC23CC=CCC2=NC=CC13"]
["161444391","CN1CCC2(CC=CCO2)C1"]
["5585276","BrC1(Br)[C@@H]2C[C@]34CC=CC[C@@]3(C[C@@H]21)C4(Br)Br"]
["46175846","CC(C)[C@H](N)C(O)=N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[CH][C@H]21"]
["172999388","N=S1CCN([O-])CC1"]
["99212433","[O-]N1CCNC2CCCCC21"]
["171671761","N=S1C=CCC1"]
["99653336","O=S(O)C1CCN1[O-]"]
["99841476","NCCCC1CCN([O-])C1"]
["185074850","N=C(O)ON1CCCCS1"]
["171226528","C=CC1CCN([O-])C1"]
["179814109","C=S1CCN(C)CCC1O"]
["161753529","N=S1CCCS1"]
["63881510","CC(N)N1CCN(C(C)N)CCN(C(C)N)CC1"]
["173029689","[O-]N1CCCCCS1"]
["34605677","O=S1CCCN1S(=O)(=O)O"]
["189910678","C[Si](C)(C)OC(=C(O[Si](C)(C)C)[Si](C)(C)C)c1c(O[Si](C)(C)C)c(O[Si](C)(C)C)c(O[Si](C)(C)C)c(O[Si](C)(C)C)c1O[Si](C)(C)C"]
["23739512","C=C(O[Si](C)(C)C)c1c(C)c(C)c(C)c(C)c1C"]
["101037542","C/C(=C/C[Ge](C(=O)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C"]
["90948022","C=CCC(C)=C(OCC)O[Si](C)(C)C"]
["65341448","Cc1cccc(C(=O)O[Si](C)(C)C)c1C(=O)O[Si](C)(C)C"]
["25021670","COOC(=O)C(OC)=C(OC)c1c(OC)c(OC)c(OC)c(OC)c1OC"]
["21714537","Cc1cc(CN(C)CC(O)=[NH+]CCOc2c(C)cccc2C)no1"]
["91405264","CCOC(=O)c1nonc1OCC"]
["91091182","COC(=O)c1cc(O[Si](C)(C)C)c(C(=O)OC)nn1"]
["84128264","CCCCC(=C=C(C)O[Si](C)(C)C)CCC(=O)OCC"]
["17443045","CCOC(=O)C1=C(C)[C@@H](S(=O)(=O)NC(C)(C)C)C(C)=N1"]
["34285959","CC(=O)/C(Sc1ccc(Br)cc1)=C(/C)O[Si](C)(C)C"]
["172779499","C1=CC(CC2CO2)(OP2N=PN=PN2)C(CC2CO2)(CC2CO2)C(CC2CO2)(CC2CO2)C1CC1CO1"]
["186303692","ClCC1COC(C2OCC(COc3ccccc3)O2)O1"]
["31936994","CO[C@]12CCC[C@@]1(CC1c3ccccc3-c3ccccc31)CCO2"]
["137890129","COC(C)(C)CN=C(O)N1CC(c2ccccc2Cl)OCC1C"]
["109088768","CC[C@H](C)N=C(O)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2"]
["185710550","Cc1cc(C)c(OC2(Cl)N=C(OCC3CO3)N=CN2)c(C)c1"]
["25707219","Cc1nnc(-c2cccc(OCC3CO3)c2)o1"]
["176608288","CC(C)(O)COc1cc(F)c2c(c1)CCC2N=c1[nH]c2[nH]c(O[C@@H]3COC4[C@H](O)CO[C@@H]43)nc2cc1Cl"]
["100881779","CC1(C)CCC(C)(CC2CO2)N1[O]"]
["75254545","[I-].c1ccc([P+](CCCCC2OCCOC2CC2COCCO2)(c2ccccc2)c2ccccc2)cc1"]
["149731084","c1ccc(OCc2ccc(N(CC3CO3)CC3CO3)cc2)cc1"]
["165614249","N#Cc1ccc(=Nc2cccc(OCC3CCCO3)c2)[nH]n1"]
["99723826","[B+]=C1C(Br)=C(Br)C(OC2=C(Br)C(=[B+])[C-](Br)[C-](Br)C2=[B+])=C(Br)[C-]1Br"]
["183561317","COc1c(Cl)cc2cc(S)[nH]c2c1Br"]
["193122056","[B+]=CC1=C(O)C(=[B+])[C-]1[O-]"]
["172353055","Nc1ccc(C=O)cc1Oc1cccc(Cl)c1Br"]
["114551583","O=Cc1c(Cl)cccc1Oc1cc(Cl)c(Br)cc1Cl"]
["174101605","[B]=C1C(=[B+])[C-](Cl)C(=[B+])C(=[B])[C-]1[C-]1C(=[B+])[C-](Cl)C(=[B+])[C-](Br)C1=[B+]"]
["162355633","BrCc1ccnc(-c2ccccc2Br)n1"]
["49550379","COCCS(=O)Cc1c(N)cccc1Br"]
["174196975","[B+]=C1C(=[B+])[C-](C)[C-](Br)C(Br)=C1C"]
["174101603","[B+]=C1[C-](Cl)C(=[B+])[C-](c2ccccc2)C(=[B+])[C-]1Br"]
["172388467","Clc1cccc(Oc2cccc(Cl)c2CCCBr)c1CCCBr"]
["173945764","[B+]=C1[CH-][C-](O)C(=[B+])C(O)=C1O"]
["195902771","NSC1=C([NH3+])CC#CCC#C1"]
["150391274","O=C1C=CCC#CC1"]
["107926215","N[C@@]1(O)CC=Cc2ccccc21"]
["183037722","CC1=[C-]C#CC1.[K+]"]
["182115281","NSC1=NCCCN1"]
["45885072","C1#CCC#CC1"]
["187521280","CCCCCCN1C(=O)C#CCC1=O"]
["179002679","CC1C2=CC1CC#C2"]
["90708025","C1#CCc2cccc(c2)CC#CCC=CC1"]
["149867618","N=CC1=NC#CCC1=N"]
["198336762","C=CN=CC1=C(C)CC(C)(C)[C@@H]1N"]
["180780279","[B][C@H]1CC([NH3+])=C(CO)O1"]
["161797231","N=C(S)CNCNCNCC(=S)n1ss1"]
["46478617","CCN=C(O)CNCC(C)CC"]
["47214889","N=C(S)CNC(=O)c1ccc(Br)cn1"]
["85008465","CC(Cc1cccs1)N(C)C(=O)C(=O)NCC(=N)S"]
["164290144","C=C(S)CNCCCl"]
["78317800","CCNCCNC(=N)S.Cl"]
["79219923","CNCC(=O)O.N=C(N)N.N=C=S"]
["26642339","N=C(S)NCC=CCNC(=N)S"]
["162288038","N=C(S)Nc1ccc(S(N)(=O)=O)cn1"]
["114120205","N=C(S)c1ccc(N2CCCC(CCO)C2)c(Br)c1"]
["87584909","N=C(S)CNCc1ccncc1"]
["44337224","N=C(S)NCC(=O)[O-].[Na+]"]
["50754325","CC1C(C)C(C)C2C([CH-]C3C(C)C(C)C(C)C(C)C32)C1C.CC1[CH-]C2C(C)C(C)C(C)C(C)C2C1C.[Y]"]
["195877228","CCC1(C)C(C)C(C)C(C)C(C)C1C"]
["178956655","CC1=CCC2C(C)C(C)C(C)C12"]
["45353710","CC1C(C)C2CC3C(C)C(C)C(C)C4C(C)C(C)C(CC5C(C)C(C)C(C1C)C25)C34"]
["99156423","C=C1CC2C(C)C(C)C(C)C(C)C2C1=C"]
["178468018","CC1C2C(C)C1C1C(C)C(C)C21"]
["150130331","CC1C(C2CCCCC2)CC(C2CCCCC2)C(C2CCCCC2)C1C1CCCCC1"]
["150287878","CC1CC2C1C1C(C)C(C)C21"]
["188180664","CC1CC(N)CCCC/C=C\\CC2CC2C1"]
["194430411","C.CC1CC2C(C)C(C)C(C)C(C3C(C)C(C)C(C)C4CC(C)CC43)C2C1"]
["24867147","CCC1NC(C)C(C)C(C)C1C"]
["195792493","CSC1CC2C(C)[C@@H](C)C1[C@@H]2C"]
["26704674","C[Si]1(C)CCC2([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si](C)(C)[Si]2(C)C"]
["123417073","COCCCN=C(O)NCC1(CO)CCC1"]
["51138801","CC(=O)OCC1(C)CC[Si](C)(C)[Si](C)(C)O1"]
["161699762","C[Si]1(C)CCCCCC(O)CCCC1"]
["175579863","C=C[Si]1(C)CCC(C)(C)O[Si]1(C)C=C.[Pt]"]
["172553578","CC1(C)CCC[Si](C)(C)C1(C)C.CN([Si](C)C)[Si](C)(C)C"]
["32585327","CC(C)OP(=O)(OC(C)C)C1(N=[N+]=[N-])CCCC1"]
["165786655","C[C@@]12CCC3(OCCO3)[C@@H]1C[C@H]2O"]
["58220839","C=CC1(C)CC[Si](C)(C)[Si](C)(C)O1"]
["79685668","CCC(OCC1CO1)C1(C(CC)OCC2CO2)CC[Si](C)(C)[Si](C)(C)O1"]
["151536963","CC(=O)OC/C=C1/CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C"]
["63410398","C=COC(OC=C)C1(C(OC=C)OC=C)CC[Si](C)(C)[Si](C)(C)O1"]
["168582146","COC1=C(OC)C2=NC1=C=C=C=C=c1[nH]c(c(OC)c1OC)=CC=C1N=C(C#CC#Cc3[nH]c(c(OC)c3OC)C=C2)C(OC)=C1OC"]
["171119234","COc1c([Si](C)(C)C2C(C)=Cc3ccccc32)cc(C)cc1[Si](C)(C)C(C)(C)C"]
["100684983","COc1c(C)nc(-n2ncc3c(C(N)=O)cccc32)[nH]c1=NCc1ccccc1"]
["84092942","COc1cc(C2N=c3ccccc3=C3NN=NN32)cc(OC)c1OC"]
["196350945","CCOC(=O)C1=C(c2ccccc2)N=C2Sc3c(nc(=N)[nH]c3-c3ccc(Br)cc3)N2C1c1cc(OC)c(OC)c(OC)c1"]
["156406866","COc1ccccc1CN[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F"]
["657168","COc1cc2occ(-c3cc(OC)c4c(c3OC)OC(C)(C)O4)c(=O)c2cc1OC"]
["50419106","COc1c(C)cnc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1C"]
["200277681","COc1c(F)cccc1Nc1c(-c2ccncc2OI)[nH]c2c1C(O)=N[C@H](I=C(O)OI)C2"]
["97448819","COc1cc(OC)c2cc1/C(c1ccccc1)=C1/C=CC(=N1)/C(c1ccc(C)cc1)=c1\\cc/c([nH]1)=C(/c1ccc(C)cc1)C1=N/C(=C/2c2ccccc2)C=C1"]
["170556514","COc1cc(N2C=CC=C3NC(O)=NC32)cc(OC)c1OC"]
["19579662","COc1ccc(-c2nn(-c3ccccc3)cc2-c2[nH]c(-c3ccccc3)c(-c3ccccc3)[nH+]2)cc1"]
["46702263","BrCC12B3B4B5B6B4B3B3B(B65)C1(Br)B32"]
["184170742","[B]CC1(CBr)COC(C)OC1"]
["157786894","COC[C@@]1(C)[C@@H](CBr)C1(C)C"]
["81951092","O=C1N=[N+](CC2(CBr)CC2)C(=O)c2ccccc21"]
["100332530","NC1(CBr)CCC(N)(CBr)CC1"]
["44252310","CCCCCC1(CBr)CC1CBr"]
["188025848","CC1(CBr)NC=CS1"]
["49693456","BrCC1(CN2CCCC2)CCC1"]
["162360916","COCC1(C)C(CBr)C1(C)C"]
["180660675","CC1C(C)C(C)([C@H](C)CBr)C1(C)C"]
["64204990","BrCC1(Br)CC1"]
["83604395","CC1(C(=O)O)CCC(C(=N)[O-])C1(C)CBr"]
["167428916","Clc1c(Cl)c(Cl)c2c(c1Cl)C[P-]13(O2)(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2O1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O3"]
["76820955","CC1CCCC(=C2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)N1"]
["25554379","Clc1c(Cl)c(Cl)c(SNC2CC(NSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)C2)c(Cl)c1Cl"]
["58405047","ClB1Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2O1"]
["MCULE-6362151017","CNCc1sc2c(c1Cl)CCOC2"]
["167325972","C[NH2+]C.Fc1cccc2c1O[P-]13(O2)(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2O1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O3"]
["90141664","Oc1c(F)c(Cl)c2c(c1Br)OCO2"]
["63702703","NN1Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O"]
["26343337","CC(=O)OCC1Cc2cc(S(=O)(=O)N(C)C)c(Cl)c(Cl)c2O1"]
["78553967","Clc1cc2ccc1OC2.OBO"]
["169688455","Clc1c(Cl)c(Cl)c2c(c1Cl)OC1PC1O2"]
["34655548","Cc1cc(C)c([P+](C)(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.Clc1c(Cl)c(Cl)c2c(c1Cl)O[P-]13(O2)(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2O1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O3"]
["99559908","[B-]1=ISC[I]C1"]
["185025708","O=S1CCCN[O+]1[O-]"]
["68314809","[B-]1=ICP1"]
["161908091","CC1(C)SCSS1"]
["179328179","C[S]1CC[I]CC1"]
["179424454","C1=ICSI=C1"]
["173705449","[N-]=S1CS1"]
["179551444","CC1=S=IC[CH-]1"]
["184402161","[O-]C1C[I]C[I]C1"]
["179026808","[SiH3-]C1CC[I]C1"]
["175811859","[B-]1=ICCC1"]
["179685943","C1=S=ICS[CH-]1"]
["195451515","C=P1=C(P)PC(I)=PC1=P[NH-]"]
["188326154","Pc1ccc(-c2cc(I)c(P)c(I)c2)cc1"]
["197802616","C=C(B(O)O)c1ccc(P)cc1"]
["44634360","[C-]#[N+][C]/C=C(/N)N=C.[W]"]
["101310054","C=C=C1C=C(I)[CH]C(C(=O)O)=C1"]
["26094031","Pc1ccc(I)cc1"]
["101315617","C=C=C1C=C(I)[CH]C(I)=C1"]
["161760817","Pc1ccp[pH]1"]
["195451514","C=P1=C(P)PC(=[I+])PC1=P[NH-]"]
["25195800","C=S(C)(=O)c1cc(P)c(C)cc1C"]
["161681394","Pc1[nH+]n[c-][pH]1"]
["171009615","CC(=O)c1c(C#N)ccc(Cl)c1I"]
["195975098","[B]C1C([B+])C2[CH-][CH-]C1C([B])C2[B+]"]
["173395834","[B]C1[CH-][CH-]CC([B])C1([B+])[B+]"]
["178247075","C[I+]N1OC2[CH-][CH-]C1CC2"]
["173784424","[B]C1C(C)CCC1N"]
["173019731","[B]C1OC(C)OC1S"]
["175461656","CC(C)C.[CH2-]C1C[CH-]CNC1.[Y]"]
["149709881","[B]C1C([B])C2C(C)C12"]
["174379707","[B+]C1C([O-])CCC(C[O-])C1[B+]"]
["178344331","[B]C1C([B])C([B])C([B])C([B])C1[B]"]
["99752694","[B+]C1C(=[CH-])OC([O-])C1[B+]"]
["172250884","[B]C1C(C)CCC(C)CC1C"]
["184452390","[B]C1CCCC([B+])NCC([B+])NCC([B])[C-]([CH2-])C1"]
["100858365","FC1([F+])CO[PH2-]2(N3CCCC3)[N][PH2-](Cl)([N][PH2-](N3CCCC3)(N3CCCC3)[N]2)OCC1([F+])[F+]"]
["13162085","Cc1oc2c(c1C(=O)N1CCCCCC1)C1=[NH+]CCN1C=N2"]
["171573151","FC1(F)CCCN1c1cccc(Cl)n1"]
["59906982","O=C1c2cc(Br)cc(Br)c2OCC1(CN1CCCC1)CN1CCCC1"]
["127078164","Cc1ccc(Cn2nc(C)c(CN3CCCC4(C3)OCCO4)c2C)cc1"]
["177480957","Cc1c(C(O)=NC2CCC(F)(F)C2)c2n(c1C(=O)C(O)=NC1(CO)CCC1)CCCC2"]
["137695316","Cc1c(Cl)c(CN2CCCC3(C2)OCCO3)nc2ccccc12"]
["52228166","C=C1N(c2c(F)cc(Cl)c3oc(C)nc23)C(=S)N2CCCCN12"]
["111415962","Clc1cnc(CN2CCCC3(C2)OCCO3)cn1"]
["87233718","Clc1ccc(Cl)c(CN2CCCC3(C2)OCCO3)n1"]
["49813616","c1n2c(c3[n+]1C1(CCCCCC1)CO3)OCC21CCCCCC1"]
["119879652","Fc1cc(CN2CCCC3(C2)OCCO3)ccc1Cl"]
["83218131","N.[O-]B1OB2OB([OH2+])OB(O1)O2"]
["148745064","CN(C)CCOB1OB2OB(O1)OB1OB(O2)O1"]
["101770676","[Na+].[O-]B1OB2OB3OB(O1)OB(O2)O3"]
["172996074","N.N.OB1OB2OB(O)OB(O1)O2"]
["167109960","[Na+].[O-][10B]1O[10B]2O[10B](O1)O[10B]1O[10B](O2)O1"]
["185243011","[O-]B1OC(F)(F)C(F)(Cl)O1"]
["181422420","CP1(=O)OB([O-])O1"]
["24234718","O.[Na+].[O-]B1OO1"]
["163381701","C[N+]1(C)CCCCC1.O=BOB1OB2OB([O-])OB(O1)O2"]
["43506682","N=C(N)N.NC(=[NH2+])[NH3+].[O-]B1OB2OB([O-])OB(O1)O2"]
["145605715","[Ag+].[Ag+].[O-]B1OB2OB([O-])OB(O1)O2"]
["79661174","O=S(=O)(O)O.O=S(=O)(O)O.OB1OB2OB(O)OB(O1)O2"]
["197042423","[NH]CC[N]CC[N]CC[N]CC[NH]"]
["26405033","CCC[N]CO"]
["172101044","CC(C)(C)SSCC[NH]"]
["26759940","CCCCCCCCCCCCCC[NH]"]
["42478075","[NH]CCCCC(N)C(O)=NCCCCCCN=C(O)C(N)CCCC[NH]"]
["26059723","CCCCCCCCCCCC[N]CC"]
["182499736","CC(C)(CCC(=N)O)N=[N+]=[N-]"]
["27055627","CCCCCCCCCCCCCCC[N]CCCCCCCCCCCCCCC"]
["79617838","Cl.N=C=NCCN=C=N"]
["79094631","[NH]CCC(F)(F)C(F)(F)F"]
["25930881","CCOCCCCC[NH]"]
["179683035","O=NCCSCCCO"]
["83500585","B=BB=BCCCB=BB=B"]
["163590479","B=BB=BB=BB=S(=S)(I)CC"]
["49558693","C[B]CCC[B]C.[Y].[Y]"]
["153004764","B=BB=BB=BB=BB=BCC"]
["184644825","F[B]C[B]F"]
["78576284","B=BB=BB=BB=BNCC"]
["161972624","B=BB=BCC"]
["67943654","CC(C)CCCC[B]Br"]
["169756807","SCCCS(CCCS)(CCCS)CCCS"]
["49997037","C[B]CCC[B]C"]
["174011932","CB=BCCC"]
["101801632","B=BB=BCCC"]
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["174024677","[B]/C([C-]=[CH-])=C(C(/[B+])=C(/[B+])Cn1[c-]2c(=[B+])[c-](C)c(=[B+])[c-]3[c-]2[b-](c2[c-]4n3C3(C)CCCCC3(C)[C-]4C(=[B+])C(=[B+])C2=[B+])[c-]2c(=[B+])c(=[B+])[c-]3s[c-]4c(=[B+])[c-](C(C)(C)C)c(=[B+])c(=[B+])[c-]4[c-]3[c-]21)\\[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])C1=[B+]"]
["174020359","[B]C/C([B])=C([B+])\\C([B+])=C(/[C-]=[CH-])N([C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])C1=[B+])[c-]1c(=[B+])c(=[B+])[c-]2[b-]([C-]3[C-](C(C)C)[CH-][C-](C(C)C)[CH-][C-]3C(C)C)c3[cH-]c4[b-]5[c-]6c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]6o[c-]6c(=[B+])[c-](N(CC([B])/C([B+])=C(/[B])[C-]=[CH-])[C-]7C(=[B+])C(=[B+])C(=[B+])C(=[B+])C7=[B+])c(=[B+])[c-]([c-]56)n(CC([B])/C([B+])=C(/[B])[C-]=[CH-])[c-]4c(=[B+])[c-]3n([C-]3C(=[B+])C(=[B+])C(=[B+])C(=[B+])C3=[B+])[c-]2c1=[B+]"]
["173891189","[B+]/C([C-]=[CH-])=C([B+])/C([B+])=C(/[B+])CN(c1cc2c3c(c1)N(c1c[cH-][c-](C(C)(C)C)[cH-][cH-]1)c1ccc(C(C)(C)C)cc1N3c1cc(C(C)(C)C)ccc1N2C1=[C-]CC(C(C)(C)C)C=[C-]1)[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])C1=[B+]"]
["174117771","[B]/C([C-]=[CH-])=C([B+])/C([B+])=C(/O)C[C-]1CC[C-](C([B])/C([B+])=C(/[B])C(=[B])[CH2-])[C-]2C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]12"]
["174117775","[B+]/C(=C(\\[B+])C([B+])C1=C2C(=[B+])C(O)=C(O)C(=[B+])[C-]2[C-](C/C([B+])=C(O)\\C(O)=C(\\O)[C-]=[CH-])CC1)[C-]([CH2-])O"]
["174022071","[B]/C([C-]=[CH-])=C(N)/C([B+])=C(\\CC(/C([B+])=C(\\CC1=C(C(F)(F)F)C(=[B+])[C-](N)C(=[B+])C1=[B+])C(F)(F)F)=C(/[C-]=[CH-])C(F)(F)F)C(F)(F)F"]
["173799991","[B+]/C(C(O)=NC1=CC2=C=C(C(=[C-]C)N(C)[C-](C)C)CC=C2[CH-][N-]1)=C(/[B+])[C-]1C(=[B+])C(=[B+])C(C)=C(C)C1=[B+]"]
["173985440","[B+]/C([C-]=[CH-])=C([B+])/C([B+])=C(/[B+])CN([C-]1[CH-][C-](Cl)[C-](Cl)[C-](Cl)[CH-]1)[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])C1=[B+]"]
["196695511","C=C1CC2C(C)(C(O)c3ccoc3)CCC34OC5(C)OC23C(O1)C1(O)C(O)C2(C)CC1(O5)C4(C)C2CC(=O)O"]
["175537490","[B+]=C1C(=[B+])C(=[B+])[C-]([c-]2[cH-][c-](N(O)C3CCCCC3)[c-](C)s2)C(=[B+])C1=[B+]"]
["179233134","C=I1=CC=C(Nc2ccc(NC3=CC(c4ccc(I(C)CC)cc4)=I(=C)C(=N)N3)cc2)C=C1C#N"]
["59684124","CS(=O)(=O)NCCc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)s1"]
["112752629","CCSC1CCCC1Nc1ccc(C#N)c(N)c1"]
["7720255","Cc1ccc2nnc(C#N)c(Nc3ccc(Br)cc3)c2c1"]
["78733606","CCC(=O)Nc1ccc(-c2c(N=Nc3cc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)sc(N=Nc3c(Nc4ccc(Cl)c(S(=O)(=O)O)c4)[nH]c(=Nc4ccc(Cl)c(S(=O)(=O)O)c4)c(C#N)c3C)c2C#N)cc1"]
["118903130","CN=C(NCC1CN(C)CCN1C)NC1CCCN(c2ccccc2C#N)C1.I"]
["172733680","CCc1c2ccc(C#N)c1O2"]
["165709542","CSC1(CN=c2c(C#N)c[nH]c3ccc(Cl)cc23)CC1"]
["169984223","C=C(/C=C\\C=C/C)[C@H](Nc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1)C1=CN(COC(=O)C(C)(C)C)NN1"]
["75170024","Cc1noc(-c2ccc(Nc3nn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)cc3C(=N)O)cc2)n1"]
["60953950","CCCC1CCC(Nc2nc(C)ccc2C#N)CC1"]
["25733640","CCC1CCCCC1(C#N)c1cccs1"]
["99448175","N=C(O)C12CCC3(C4CC5C=CC=CC5[Si]4)C4C15C2C435"]
["158019900","CN(O)C(=O)[C@@H]1C[C@@H]1C(=O)O"]
["58037232","CC1(C(=N)O)CC2C=CC1CC2"]
["127166479","CC1CCCCC1N=C(O)CN1CCCC1C(=N)O"]
["85077273","CNC1(C(=N)O)CCCC1CCN(CC1CC1)C(C)C"]
["143819054","CCOC1CC(N(C)C(=N)O)C12CCCC2"]
["154192974","CC1(C)[C@H](O)[C@@H](O)C[C@H]2[C@@]1(C)C(=O)C[C@@]1(C)[C@]3(C)CC[C@]4(C)CC[C@@](C)(C(=O)O)CC4=C3C=C[C@]21C"]
["92726836","CN(CC1(N(C)C)CCC1)c1cccc(Br)c1C(=N)N"]
["140603281","N=C(O)C1(N=C(O)CCc2ccco2)CC1"]
["172893118","C[C@@H](c1ccc(C2CC2)o1)C1(C(=N)O)CC1"]
["110959753","CC1(C(=N)O)CCC(=O)N1C1CC1"]
["169912212","SC1=CC2C=CC=CC2C1"]
["172616206","c1csc(C2=C(c3cccs3)[Se](c3ccoc3)(c3ccoc3)C(c3ccsc3)=C2c2ccsc2)c1"]
["MCULE-4169596777","COc1ccc(-c2cccs2)cc1C(O)=Nc1ccccc1"]
["63843623","Cc1nc(CNCc2cc(-c3cccs3)cs2)cs1"]
["19595548","c1csc(-c2noc(-c3cc[nH+]c(N4CC[NH2+]CC4)c3)n2)c1"]
["MCULE-4737258348","CCCOc1cccc(NC2=C(c3cccs3)C(=O)N(CCCCCO)C2=O)c1"]
["14760019","Cc1noc(-c2cccs2)c1C(O)=NN=C(O)c1c(F)cccc1F"]
["MCULE-4739987277","CCc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-]"]
["46807229","CC(N)C(c1cccs1)N(C)Cc1ccoc1"]
["98611108","Cc1ccsc1C1N=C(c2cccs2)c2c(C)ccnc2NC1=N"]
["109985673","CCOC(=O)c1c(-c2cccs2)csc1N=C(O)CCCNC(=O)c1ccco1"]
["42741952","Nc1onc(-c2cccs2)c1C(=O)O"]
["32290653","O=C(Nc1ccc(-c2cccs2)cc1)OCCCCCN1C(=O)C2C3CCC(O3)C2C1=O"]
["175203024","[NH2+]=C(O)N1C=Cc2nn3c(c2=C1)=CN=NC=C3"]
["180531070","O=C(O)N1C=CC2=NC=COC2=C1"]
["MCULE-1782151705","O=C(c1ccc(Cl)s1)N1CCC(C(O)=Nc2ccccc2F)CC1"]
["99453658","N=N/C(O)=c1/ccc2c(c1)C=CN(O)C=2"]
["196769618","CB(O)N[C@H](C(=O)OCn1nc(C)c(-c2ccc(NC(=O)[C@@H](NC(=O)c3ccnn3C(C)C)C(C3CC3)C3CC3)cc2)c1C)C(C)C.Cc1nn(CO)c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1"]
["168719095","C1=Cc2nn3c(c2=C1)=C[NH2+]C=C3"]
["194681704","C=S(=O)(CCC(=O)N(CC)c1cn(C2=CN(O)CC(F)=C2)nc1Cl)CC(F)(F)F"]
["MCULE-5436975704","CCC(CC)C(O)=Nc1cc(F)c(-c2ccc3cnn(C)c3c2)c(F)c1"]
["195908747","C=CC(O)=Nc1ccc2ncn(C3=CI=C(C=O)C=C3)c2c1"]
["20832596","[NH2+]=C(O)[C@H](NCc1ccc(Cl)s1)c1ccccc1"]
["MCULE-6959434361","CN(C)CC(O)=Nc1ccccc1-c1ccc2cnn(C)c2c1"]
["150245887","O=C(NC1CCCO1)C1=NC=CN(C2CCCO2)C1O"]
["172543946","C=Cc1cc(C=C)c(/C=C/c2cnc3c(/C=C/c4[pH]c(C=C)cc4C=C)nnc-3cn2)[pH]1"]
["172544434","C=Cc1cc(F)oc1/C=C/c1ccc2c(/C=C/c3oc(F)cc3C=C)nnc-2cn1"]
["116280866","O=C(O)c1c(/C=C/c2ccc(Br)cn2)[nH]c2cc(Br)ccc12"]
["184557739","C/C=C/c1cnc(CC(C)C)cn1"]
["196364458","C=Cc1ccccc1OCCCOc1ncccc1-c1cc2c(Br)nn(S)c2cn1"]
["188764618","C=C[C@H]1C[C@@H]1c1cc(-c2cnc(O)nc2O)nnc1C"]
["181889734","CC(O)c1cc(Cl)cnc1[C@@H](N=[N+]=[N-])C(C)C"]
["MCULE-5119909349","C=Cc1ccccc1-c1nc[nH]n1"]
["91126403","C=Cc1nnc(-c2cccc(C(F)(F)F)c2)cc1O"]
["170486502","NCCC=Cc1cnc(N)cn1"]
["174611864","C=Cc1ccc2ncc(Cl)cc2c(=O)c1C/C=C\\C"]
["172695875","CC(=O)c1cnc(N=C(O)C(C)c2cncc(-c3cnc(C=CC(=N)O)cn3)c2)s1"]
["54042091","Cn1c(=NC(=N)NC(=N)N)n(C(=N)NC(=N)N)c(NC(=N)NC(N)=[NH2+])[n+]1C"]
["88541010","CCN(CC)CC(C)NC(=N)NC(=N)N"]
["50500545","N=C(N)Nc1cc(F)cc(F)c1F"]
["99543292","C=C(Cl)C(O)=Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C([O])=[As]c4cc(C(=O)NCCNC(=N)N)n(C)c4)n(C)c3)n(C)c2)n(C)c1"]
["49153435","N=C(N)Nc1ccc(O)c2ncccc12"]
["199628515","N=C(N)NC(=N)Nc1cc(C(F)(F)F)ccc1C(F)(F)F"]
["47232101","COc1cc(Cl)cc(C=NNC(=N)N)c1OC"]
["86565830","Cc1cc(=NC2CCC(=O)N(C)C2)c(C(=N)S)c(C)[nH]1"]
["172060595","COc1ccc(-c2ccc(Cl)cc2)c(NC(=N)NC(=N)N)c1"]
["199629850","N=C(N)NC(=N)Nc1ccc(C(=N)O)c(N2CCCC2)c1"]
["65341024","N=C(N)Nc1ccc(C(=O)O)s1"]
["183231280","[N-]=[N+]=NN(N)NC(=N)N"]
["191051625","C[N+]1=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OC(C)(C)Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)[CH-]1"]
["101705875","CC(C)(C)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1.[Li+]"]
["189252792","CC(C)(N)c1cnc(OCC2CS(=O)C2)c2cnc(Cl)cc12"]
["170204143","CC(O)c1cc(S)cc(C(C)(C)C)c1"]
["49149133","CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@]13CCCC[C@]1(O2)c1ccccc1N3"]
["199151724","CC(C)(C)c1cc(C(C)(C)C)c2c3c(sc2c1)B1c2ccccc2Oc2cccc(c21)N3c1ccc2c(c1)C(C)(C)CCC2(C)C"]
["186498565","CC(C)(C)c1cc2cscc2cc1C(C)(C)C"]
["23102995","CC(C)(C)c1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.[Co+2]"]
["182713960","Cc1c(C(C)(C)C)ccc(C2C(OP(O)O)C(c3ccc(C(C)(C)C)c(C)c3C(C)(C)C)C(C)(C)NC2(C)C)c1C(C)(C)C"]
["171046869","CC(C)(C)c1cc(O)c2c(c1)C(C)(C)CC2(C)c1cccc(O)c1"]
["182621217","COC(N=[N+]=[N-])c1cccc2c1OC(C)(C)OC2"]
["175880690","CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1c-2ccc(C(C)(C)C)c1Br"]
["164538147","C=CCSSC1C(C)C(C)C(S(=O)SCC=C)S1=O"]
["140521854","C=CCC(C)C(C)N(C)C(C)CS(C)=O"]
["162167317","C=CCC1CCC(C)CC(=O)C1"]
["69970480","C=CCSc1nnc(-c2ccccc2SC)n1N"]
["173388268","C=CCSC1N=CN=N1"]
["26510619","C=CCC(C)C(Br)C(C)C[O]"]
["32021011","C=CCS(=O)C(CC)SS/C=C/C"]
["101277837","C=CCSC/C=C/CSCC=C"]
["113323061","C=CCSCCNC(C(=O)O)C1CC1"]
["106635042","C=CCNC[C@H]1C[C@H]1C"]
["91329119","C=CCSc1sccc1CC=C"]
["65151436","C=CCC1(O)C(C(=O)O)=CC=CC1C1C=CC=C(C(=O)O)C1(O)CC=C"]
["167127982","C1=Nc2c3c(c4s[c]nc4c2=S=1)=NC#S3"]
["2087468","CN=C(O)CSc1nc2c(c(=O)n1CCOC)S[C@H](C)C2"]
["75125887","OCC1CCc2s[c]nc2C1"]
["74768659","Cc1n[c]sc1C(=O)CBr"]
["75875665","N#Cc1n[c]sc1N"]
["26409182","CCCc1s[c]nc1CC"]
["67587009","CN(C)C1CCc2s[c]nc2C1"]
["174458590","Cc1nc2s[c]nc2c2c1ncn2C.[Al]"]
["25089653","CC(=O)Oc1cccc2s[c]nc12"]
["75192146","COc1nc(C(F)(F)F)nc2n[c]sc12"]
["173631195","CC.CC1=c2nc(C3=CCC=C(N(C)C)C=C3)sc2=C(C)CC1"]
["25888142","N#Cc1s[c]nc1Br"]
["97589778","CC(=O)C12CC34C5C6C3C3(C1)C1C78C6C56C4C(C2)(C67)C138"]
["172604822","CC(=O)C1C(=O)C(=O)C1C(C)=O"]
["181820411","CC(C)C1=C(F)C(F)=C(C(C)C)C(O)(C(=O)O)C1O"]
["97239346","CC(=O)C1(C(=O)OC(C)(C)C)C(C)CC(=O)CC1C"]
["97026558","CC(=O)[C@@]1(C)C(=O)O[C@H]2OC(=O)C[C@H]21"]
["144435433","CN(CC1CCCO1)C(=O)C12CC3CC(CC(Br)(C3)C1)C2"]
["83972843","CCC1(CC(C)=O)CC(C)OC1=O"]
["83946276","CC(=O)C12CC([Se]c3ccccc3)(C1)C2"]
["82332384","CC12CCC(=O)C(F)=C1CCC1C2CCC2(C)C(O)CC3CC312"]
["87899500","CC(=O)N1c2cc(F)c(F)cc2NC[C@@H]1C"]
["26923093","CC12CC3CC(N)(C1)CC(C(=O)O)(C3)C2"]
["88873459","Cc1cccc2c1CCNC2C#CC(=O)O"]
["199507091","F[B-]1(F)n2cccc2C(=C2C=CC(=[Br+])C=N2)c2cccn21"]
["171372181","FC1=C(F)C(=[F+])C(=C2c3ccc(Br)n3[B-](F)(F)n3c(Br)ccc32)C=C1"]
["145211655","N#CC1=C/C(=C2\\N=CNn3cccc32)N=C1c1ccccc1"]
["32391175","C1=C/C2=C(\\c3ccccc3)c3cc(c4ccc(-c5ccccc5)ccc3-4)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\\c3ccccc3)C1=N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]
["91597653","N=c1scc(-c2ccccc2)n1-c1ccc(F)cc1"]
["MCULE-5328525263","OC(=Nc1ccc(I)cc1)c1nc(-c2ccccc2)n(-c2ccccc2F)n1"]
["199507036","F[B-]1(F)n2cccc2C(c2cc(Cl)ccc2Br)=C2C=CC=[N+]21"]
["MCULE-5037321252","Cc1ccc(-c2cccn2C)c(C(=O)N(C)C(C)c2cccnc2)c1"]
["101281438","CCc1c(C)c2n(c1C)[B-](F)(F)n1c(C)c(CC)c(C)c1C2=C1C=CC(=[N+]2C=C(C[O+]=C3C=CC(=C4c5cccn5[B-](F)(F)n5cccc54)C=C3)[N+]#[N+]2)C=C1"]
["91905137","N#Cc1cccn1-c1ccc(C(=O)O)nc1"]
["99425040","CN1Nc2c(cccc2-c2ccc(Cl)cc2Cl)/C1=C1/C=NC=N1.Cl"]
["51589777","CCCCCN1C(=O)C(=O)c2cccn21"]
["175134203","CC1CCC(C(C)C)CN2CCC(CC2)C2CCN(CC2)CC2CC(C)(C)C(C[C@@H]2C)CN2CCC(/C=C/C3CC[NH+](CC3)C1)CC2"]
["45680539","CNC1CC(OC2CC(C)CCC2C(C)C)C1(C)C"]
["159951847","CN(C)C(=O)N1CCC(C(=O)N2CCC(C3CC3)C2)CC1"]
["93620806","CC(C)C1CCN(C(=O)N2CC(C)C(C(=O)O)C2)C1"]
["110999022","CCC(C)C(CCC[C@@H](O)C(C)CC1CCC(C2CCCC2)CC1)CC(O)C1CCC(C)CC1"]
["MCULE-2155200458","COc1cccc(F)c1-c1ccccc1OC(C)C(O)=NC1CN2CCC1CC2"]
["15777658","COc1cccc(CO[C@H](C)C(O)=[NH+][C@H]2CCN(C(C)C)C2)c1"]
["18065599","C[C@@H]1CCC[C@H]2CCCN(C(=O)[C@@H](C)Sc3nncs3)[C@@H]21"]
["29987114","C[C@H]1[C@H](O)C(C)(C)C[C@@H](OC(=O)N=C(O)[C@H]2CN3CC[C@@H]2C3)[C@]23C[C@@H]2CCC12CCC(=O)C23"]
["78042944","Cc1ccc(C(O)=NC2C3(C)CCC(C3)C2(C)C)cc1N1CCOCC1"]
["94236053","CSc1nc(Cl)cc(N2CCC(C(C)C)C2)n1"]
["MCULE-3900640109","CCCc1ccc(-c2ccc(CC(O)=NC3CN4CCC3CC4)cc2)cc1"]
["66276889","[2H]c1c(C)c(OC)c(C)c2c(C([2H])(C)C)c(-c3c(C)c(C)c(OC)c(C)c3C)n(C(C)(C)c3c(C)c(C)c(OC(C)(C)C(C)(C)N4C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C4(C)C)c(C)c3C)c12"]
["119253181","CNCC(C)(CC(C)C)c1cc(C)cc(C)c1OC"]
["47622818","COc1ccc(C(O)c2cccc(C)c2C)c(Cl)c1OC"]
["MCULE-3472199943","COc1cc(C(O)=NCC(O)=NC(C)C(=O)N2CCC3(CC2)OCCO3)cc(OC)c1OC"]
["31398156","Cc1cc2c(-c3ccc4c(c3C)CCCO4)c([C@H](OC(C)(C)C)C(=O)O)c(C)nc2s1"]
["109306901","COc1cc([C@@H](c2c(O)n[nH]c2C)[C@H]2C(C)=NN=C2O)cc(OC)c1OC"]
["106379400","COc1ccc(C(=O)[C@@H](N)C(C)C)c(OC)c1C"]
["110126288","COc1c(C)cnc(CN(C)C(=O)[C@H](N=C(O)c2ccc(Cl)cc2Cl)C(C)C)c1C"]
["18292860","COc1cc(C)c2c(c1C(C)C)[C@@H](C#N)N(Cc1ccc3c(c1)OCO3)C2=O"]
["54656289","COc1c(C)cnc(CC(C)C(C)=O)c1C"]
["95873462","COc1c(C)cc(Br)c(C)c1C(O)c1cccc(C)c1"]
["89697984","COc1c(C)c(C)c(OC)c2c1CCNC2C(C)C"]
["96833587","C1C[N+]23CCS[B-]2(S1)[S+]CC3"]
["66079395","CCC[N+]1(C)CCSCC1"]
["175854983","CN1CCCSNC1"]
["63845551","OCC=C1CO1"]
["192121920","PCC1=[S+]CCS1.[CH3-]"]
["167441987","C1C[S+]=NS1.F[As-](F)(F)(F)(F)F"]
["148708794","COCC[N+]1(C)CCSCC1"]
["182522238","S[N+]1(S)CCSC1"]
["75781971","CCNCC1=NCCS1"]
["192455460","CCC[N+]1(C)CCCC1.FB(F)F.[F-]"]
["190296703","C(CN(CCN=C1CCOC1)CCN=C1CCOC1)N=C1CCOC1"]
["172831524","CCC[N+]1(CCC)CCSCC1"]
["101303897","N[PH]1(N)N[PH](Cl)(Cl)N[PH](Cl)(Cl)N1"]
["100556790","Cl[PH]1(Cl)PP1"]
["166425897","NNC1NN[C@H]1Cl"]
["74140964","Cn1[nH][c-]c[c+]1Cl"]
["195368329","NC1NNC1CO"]
["74540239","CO[PH]1(OC)N[PH](OC)(OC)N[PH](OC)(OC)N1"]
["104890570","NC[C@@H]1CC[C@@H](CO)N1"]
["61159937","C[CH-]C.[CH2-]N.[Y]"]
["174012324","N[C@@H]1NNC1Cl"]
["75894558","Cl[c+]1c[c-][nH]s1"]
["101101839","C=C(C)C(=O)OCC1CO[PH]2(N[PH](Cl)(Cl)N[PH](Cl)(Cl)N2)O1"]
["170838394","NC1NNC1Cl"]
["49666748","[C+]1=CCC[C+]=CCC1.[Pd]"]
["100938879","[C+]1=CCCC=C[CH-]C1"]
["90955461","C=C1[CH]CC[C+]=C1.[Sn]"]
["172790152","C1=[S+]SCC1"]
["174849927","[CH]1CCC1.[Sn]"]
["25651544","[C+]1=CC[CH-]CC1"]
["161840151","O[B-](F)(F)F.[C+]1=CC1"]
["97252078","C1N[SiH2]1"]
["76123462","N=C(N)C1=CCCC#C1"]
["83995114","[Br-].[CH]1CC1.[Hg+]"]
["25221765","[C+]1=CC[N-]CC1"]
["74053995","CC1=CCCC2OC12"]
["179131575","C1[I][C-]2OC[I-][C-]2[I]1"]
["180325236","CCN1CCOC[I-]1"]
["180280155","CO[C@H]1C=C(C)CCC1"]
["150532395","CC1=CC(O[SiH3])CCC1"]
["178830736","ICN1CCOC[I-]1"]
["178480027","[O-][C-]1O[I]C[I]1"]
["83952860","CC1=CC(OO)CCC1"]
["45625855","CC1=CC(O[Si](C)(C)C)CCC1"]
["32110753","CC1=CC(Oc2ccc(C)cc2)CCC1"]
["91416542","CC1=CC(O[Si](c2ccccc2)c2ccccc2)CCC1"]
["173977136","[O-][C-]1OC[Cl+]O1"]
["96721722","CC1=CC(OC2C=C(C)CCC2)CCC1"]
["98279714","O=C=C([O-])C(=O)CC(=O)C(=O)CCC(=O)C(=O)CCCC(=O)C(=O)CCCCC(=O)C(=O)/C=C\\C(=O)C(=O)C=CC#[O+]"]
["59531305","CC(=O)CCCC/C=C\\C#CC#C/C=C\\C=C/Cl"]
["180199186","CCCCC[C@H](O)c1nc(-c2ccccc2)n(-c2ccccc2)c1/C=C/C(=O)C(=O)CCCC(=O)OC"]
["96564505","COC(=O)/C=C(\\CCCCC(=O)OC)[N+](=O)O"]
["10774163","N#CCN(CC#N)C(=O)CCCC(=O)[O-]"]
["172293400","CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)C(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"]
["25072470","CCCCCCCCCCCCCC(=O)C(=O)C=CC(=O)O"]
["154185535","CC#CC#CC#C/C=C/C(=O)CCCCO"]
["81121627","CCCC(=O)C=CNCC"]
["195433174","CCCCCCCCCCCCCCCCCC(=O)C=CC(=O)OCC(=O)[O-]"]
["79123865","C/C=C/C(=O)C(=O)CCC"]
["190350863","CCCC(C(=O)[O-])=C(C)C=CC(=O)[O-]"]
["170464864","[BH3-]N[BH-]1N[BH2-]N[BH2-]N1"]
["102953206","B1NBN[BH2-]N1"]
["84178900","COC(=O)CNP(=O)(Cl)Cl"]
["74702659","CN(C)CCNN(C=S)C1NCCCS1"]
["100856710","[BH2-]1N[BH2-]N[BH2-]N1"]
["183141951","O=C(O)CNN(S)S"]
["102953208","B1N[BH2-]N[BH2-]N1"]
["189878057","[B+]PC1C=C=c2c(ccc3c4c(ccc23)[C-](Cl)C(=BP)C=C4)=C1"]
["189892292","[B+]PC1C=C=C2C(=C1)C=CC1=c3ccc(=BP)cc3C=C[C-]21"]
["177045015","[B+]C(Br)C([O])=c1cc2ccc3c(c2s1)C=CC(C(=O)[CH-]Br)C=3"]
["172182139","Cc1[c-]c(-c2nccc3c2ccc2c4c(ccc23)=CC(c2ccc(C(F)(F)F)c3ncccc23)C=C=4)cc(C)c1.[Ir]"]
["42800365","[2H]PB=C1C=C2CCC3=CC(P([2H])[B+])C=C=C3C2=C[CH-]1"]
["168595688","C1=C\\C=c2\\ccc3c(ccc4c[nH]cc43)\\c2=N\\C=C/1"]
["99643089","[B+]=C1C=C[C-](c2ccc3c(c2)C(C)(C)C2C=C(I)C=C=C32)c2ccccc21"]
["185555789","OC1=c2ccc3c4c(ccc3c2C=C1)=CC(O)C=C4"]
["173717249","[B+]=C1[C-](N)C(/C=N/PI)=C=CC1C"]
["172577416","CCN(CC)c1ccc(C(C2=C=CC(N(CC)CC)C=C2C)=C2C=C[C-](N(CC)CC)C=C2C)c(C)c1.[Zn]"]
["98775263","CC.CPC1C=c2ccccc2=C1"]
["79045010","C1=C=c2c(ccc3c4c(ccc23)CC=C=C4)=CC=1"]
["79593573","I[SiH2-]=I[SiH2][I+][SiH2][I+][SiH2]I=[SiH2-]I"]
["173246187","I[SiH2-]=I[SiH2-]=I[SiH2]I=[SiH2-]I=[SiH2-]I"]
["173041822","I[SiH2-]=I[SiH](I)C12CCC(CC1)C2"]
["173000405","I[SiH2-]=I[SiH2]I=[SiH2-]I"]
["48359258","I[Si]=I[Si]#I"]
["173008158","I[SiH2]I=[SiH2-]I"]
["173418089","I[SiH2-]=I[SiH2-]=I[SiH2-]=I[SiH2]I=[SiH2-]I=[SiH2-]I=[SiH2-]I"]
["78970148","I[SiH2][I+][SiH2]I=[SiH2-]I"]
["173346278","CCCI=[SiH2-]I=[SiH2-]I"]
["46380546","I#[Si]I=[Si]=I[Si]#I"]
["21669412","CC(C)(C)NCC[NH2+]C1CC1"]
["179794570","CC1CNC(=C(I)C=[NH2+])CN1C"]
["66914334","SCC[Se]CC1(C[Se]CCS)CSCCS1"]
["104696371","CCCN[C@]1(C(=O)O)CCSC1"]
["157980587","C[C@@]1(/C=C/CCN)CCCS1"]
["106061828","COC(=O)[C@]1(N)CCCSC1"]
["157985089","CCNC1(CO)CSC1"]
["79412876","SCC[Se]CC(C[Se]CCS)[Se]C(C[Se]CCS)C[Se]CCS"]
["105150854","O=C(O)[C@]1(NCC2CCCC2)CCSC1"]
["86870064","ClCC1CC12CCSC2"]
["159193539","CC[C@@H](C)C[C@]1(N)CCSC1"]
["162261761","CC1=C(C)C2(SCCS2)C1O"]
["61758189","CC1(CN)SCCS1"]
["159137132","CN[C@H]1CO[C@@]2(CCSC2)C1"]
["90936362","I[Si]1[Si]#[Si][Si](I)(I)[Si]1(I)I"]
["66754290","O[Si]1=[Si](O)[Si]#[Si]OC1"]
["168503031","C[Si]12[Si]#[Si][Si]([Si]#[Si]1)[Si]#[Si]2"]
["90939949","F[Si]1(F)[Si]#[Si][Si](Br)[Si]1(F)Br"]
["84194049","Br[Si]1(Br)[Si]#[Si][Si]1(Br)Br"]
["84194051","Br[Si]1[Si]#[Si][Si](Br)(Br)[Si]1(Br)Br"]
["90936365","I[Si]1(I)[Si]#[Si][Si+]=[Si-](I)(I)[Si]1(I)I"]
["184965845","O=c1o[nH]cc1I"]
["90936360","I[Si]1(I)[Si]#[Si][Si]#[Si][Si]1(I)I"]
["84191253","CC[Ge]1(CC)NC(C(C)C)C(=O)O1"]
["148588072","I[Si]1(I)C[Si](I)(I)C1"]
["168464300","CC(C)(C)[Si]([Si+]1[Si](I)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](=[Si-](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si]1(I)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["174112794","[B+]c1c(B(c2ccc(-c3cc(C#N)cc(C#N)c3)cc2)c2cccc3c2=[B-]=c2ccc(-c4ccc(C=O)cc4)cc2=3)cccc1-c1cccc(-c2ccc(C=O)cc2)c1"]
["148597480","N#Cc1nn[nH]c1-c1cccc(-c2cccnc2F)c1"]
["154912317","O=Cc1ccc(N=Nc2ccc(N=Nc3ccc(N4CCCCC4)cc3)cc2)cc1"]
["MCULE-1996508760","N#Cc1ccc2[nH]c(-c3cccc4c3N=C(O)C4)cc2c1"]
["182663195","C=C(C#N)S(=O)(=O)c1cc(-c2ccc(C=O)cc2)ccn1"]
["MCULE-8734439263","CC(C)(C)OC(=O)N1CCCCC1C(O)=Nc1ncc(-c2cccc(C#N)c2)c(C(F)(F)F)n1"]
["73501754","COCOCC(CC(C)C(O)=NO)NC(=O)c1ccc(-c2cccc(C#N)c2)cc1"]
["MCULE-4428784596","C=Cc1ccc(-c2cccc(C(O)=NCCC#N)c2)cc1"]
["MCULE-4005395272","N#Cc1cc(F)cc(-c2ccc(SCC(O)=NC3CCOC3=O)cc2)c1"]
["176170012","Cc1cc(CN2CCCC[C@@H]2C=O)c(OCc2cncc(C#N)c2)cc1OCc1cccc(-c2ccc3c(c2)OCCO3)c1C"]
["172899202","[C-]#[N+]c1cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1"]
["30730776","N#Cc1nc(-c2ccccc2)c(Cl)n1S(=O)(=O)c1cccs1"]
["96880495","COp1[se]p2[se]p1[se]p2I"]
["156740490","CO[C@@H]1CS(=O)(=O)C[C@@H]1I"]
["61009603","COC1CP(CCP2CC(OC)C(OC)C2)CC1OC"]
["79735605","COCC(CI)OC"]
["64710223","COB(OC)C(C)[Si](C)(C)C"]
["97327242","N#Cp1[se]p2[se]p1[se]p2C#N"]
["24688033","COc1ccc[c]n1.[Br-].[Zn+]"]
["172072217","[CH+]=C([N-]C=C)OC.[W]"]
["77334967","COC(=O)C=CC(CO)(OC)OC"]
["84964114","CCC(CO)(CO)Cc1ccc(OC)c(Br)c1"]
["97832373","CC(C)(C)Op1[se]p2[se]p1[se]p2I"]
["174962470","COC.NI"]
["56202165","ON(O)NCC(NNN(O)O)NN(O)O"]
["25403847","CN(C)NCC(O)C[O]"]
["162429581","CC[C@H](O)CNN(C)C"]
["166515931","Cl.NNC[C@H](O)C(F)(F)F"]
["43465496","CCCNN(CC)NC"]
["95805143","CCC(CC)N(C)C(=O)C1CC(C)CC(N)C1"]
["117797433","CCC(CC)C(CNC(=N)NC(C)(C)C)N(C)C"]
["168942400","CC(O)CNN.Cl"]
["25024860","NC(=S)C(=S)NCC(O)O"]
["183861628","CCNN(N=[N+]=[N-])C(C)C(=N)O"]
["54633580","C[C-](N)C(=O)N(C)NCC(C)C.[Ac]"]
["193328741","N=C(O)C(CNN)NN"]
["174097737","O=[S+]CCCCCl"]
["49061576","C[Si](C)(Cl)CCCCCCCCCl"]
["94809893","CCN(C)C(=O)OCCCCl"]
["25108698","N#CC1CN1OCCCCl"]
["161457628","CO[Si](CCCCl)(OC)OC.N[SiH2]N"]
["185476287","CCCCCCCCCCCCC(CCCCl)C(=O)[S-]"]
["26251728","Cn1cc(C(=O)CCCCCl)cc1C=O"]
["26410937","ClCCCN1CCC(Cl)CC1"]
["26326405","O=C1C(=O)N(CCCCl)c2ccccc21"]
["46007062","CCOC(C)OCCCCCCCCCl"]
["61017790","CC(C)(C)c1ccc(S(=O)(=O)CCCCCCl)cc1"]
["57925390","CN(CCCCCl)CC1CCOCC1"]
["50406285","N1=[SiH]N2[SiH2]N=[SiH]N2[SiH2]1"]
["91044537","n1non2on3onnon3on2o1"]
["79133578","CCCN([Si](CC)(CC)CC)[Si](CC)(CC)CC.CO[SiH2]OC"]
["195799553","NC1=C=N[CH-]N1O.[Re]"]
["74342714","c1noc2c1C[N]CC2"]
["78975393","N1=[SiH][SiH2]N[SiH2][SiH2]1"]
["99326292","CCCN([Si](CC)(CC)CC)[Si](CC)(CC)CC.CO[Si](OC)OC"]
["78623948","CC(C)O[SiH3].CCCN([Si](CC)(CC)CC)[Si](CC)(CC)CC"]
["178343171","CC1=NN[CH-]O1.[Ag+]"]
["99326273","CCCN([Si](CC)(CC)CC)[Si](CC)(CC)CC"]
["190702645","CN1[CH-]C1=[OH+].[CH3-].[Y]"]
["78441645","N1=[SiH][SiH2][SiH2]1"]
["97583728","ON1C#[N+][N-][N-]1"]
["70092644","[CH-]=CC=C1C#[N+][N-]N([O+]=[C-]C)C1=O.[V].[W]"]
["161710685","CC(=S)N1C(Cl)(Cl)C1(Cl)Cl"]
["99326651","O=C(O)CN1C#[N+][N-][N-]1.[Na+]"]
["181579439","C1#[N+][N-][N-]N1c1ccccc1"]
["172345242","CC(=O)C1C(=O)N(O)C(=O)C1C(C)=O"]
["79742098","OC1=C=C(Cl)[N-]N(Cl)N1.[Na+]"]
["177036115","ClC1=CC=C2[N-][N+]#CN2[N-]1.[V].[Y]"]
["24902712","CC(C(=O)Cl)N1C(=O)C(Cl)=C(Cl)C1=O"]
["67217407","CC1=C(CBr)NON1O"]
["185100604","CN1C#[N+][N-][N-]1.[Na+]"]
["172254805","CC1=C[N-]N2C#[N+][N-]C(Cl)=C12.[Na+]"]
["173666468","NC1=C2NCCNC2N2NC3NCCNC3N12"]
["162569814","O=NN1CCN[C@@H]2NCCN[C@H]21"]
["162578445","Cn1c(Cl)nc(C2CCCN2)c1Cl"]
["168450277","Nc1cnn2c1NCCC2c1ccc(F)cn1"]
["145567963","CC1NONC1N1CCN(c2ccncc2N)CC1"]
["82017132","Nc1c(F)cc(F)c(F)c1C1CCCN1"]
["179094559","CN1CNC2C(NNN2N(C)C)C1=[NH2+]"]
["173375803","NC1CCNC1N1CCN(C2C=CCC2)CC1"]
["180510297","[B+]=C1C=NC2C(N)=C2[CH-]1"]
["181256919","Nc1ccc(C2CC=C3NCCC3C2)cc1"]
["68509906","O=C1C2=CCCN[C@H]2OC=C2C=C(C(F)(F)F)CN12"]
["83625991","O=C1C2C(NCCC2c2ccc([N+](=O)[O-])cc2)NN1c1ccccc1"]
["172555423","FCCSS(Cl)(CCI)(SCCCl)(SCCBr)SC(F)F"]
["181928126","FC(F)SS(F)(F)(SCCl)(SC(F)(F)F)C(F)(F)F"]
["64042048","OC(C#CCC(Br)OCC#CCCCl)OCC#CI"]
["MCULE-7681134109","NCc1cnn(CCF)c1C(F)F"]
["94088749","OC(CCCl)=NC(O)=NCC(F)F"]
["79800257","CCC(SCCCl)SCCCl"]
["114380394","FCCCN(CCBr)CC(F)F"]
["200243323","Cc1cnn(CF)c1C(F)F"]
["MCULE-3371458631","CSc1ccncc1-n1nc(C2CCC2)c(Cl)c1C(F)F"]
["159273980","FC(F)Oc1c(Br)ccc(I)c1CBr"]
["162383744","FCCCCCSCCCl"]
["136797499","C=CCN(C(O)=Nc1ccc(Cl)cc1OC(F)F)C1CCS(=O)(=O)C1"]
["76187808","C1=Cc2[n-]ccc2[O+]=1"]
["180880678","S=c1cc(C2=CC=[N+]=C2)cc[n-]1"]
["184108681","Fc1ccc[n-]1"]
["172542029","[Cu+].c1ccc2[n-]ccc2c1"]
["33527687","CN(C)Cc1ccc[n-]1.CN(C)Cc1ccc[n-]1.[Al+2]"]
["74783774","[O]N([O-])c1cccc2c1N=C=[O+]2"]
["195598040","C[C@H](N)I(N)(c1ccc(F)cc1)=c1cc[n-]c(F)c1"]
["75823416","C1=NC2=C([O+]=1)S#C[N-]2"]
["43228268","c1ccc(CNc2ccc(Cc3ccccc3)cc2)cc1"]
["174354742","Fc1cc[n-]c(=S=S=C2N=C=CC=N2)n1.[Rf]"]
["180990722","[N-]=N[N-]Cc1cccc2c1N=C=[O+]2"]
["55922770","c1ccc(Cc2ccc(C3CC3)nc2)cc1"]
["69582691","C#[N+]N=N[N-][NH-].[K+]"]
["78296849","C#[N+][N-]N=C=O"]
["60827844","C#[N+][Xe]F"]
["46200384","C#[N+]N=C([O])OCC.C#[N+]N=C([O])OCC.[Hg]"]
["181923737","[NH-][N-]N=NC1=C[O+]=C=N1"]
["178518847","C#[N+]N(C)/C(C)=C\\C"]
["182659396","[N-]=[N+]=NC(S)=NN"]
["178473538","C#[N+]/N=C/N(C)CC"]
["174091180","C#[N+]/N=C\\c1ccccc1C"]
["174061130","C#[N+]N=C(S)c1ccc(CC)cc1"]
["78296395","C#[N+][N-]OO"]
["78988423","C#[N+]C(=[CH-])NN.[H].[Sb]"]
["180151660","CSc1ccc(Sc2ccc(SC)cc2-c2cc(Sc3ccc(S(C)=O)cc3)ccc2S(C)=O)cc1"]
["199655585","Nc1csc(NN=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1"]
["135270846","CS(=O)c1ccc(NC(=O)C2CCCC(N=C(O)OC(C)(C)C)C2)cc1"]
["144077237","CCCC1CN(CC(=O)N(C)Cc2ccc(SC)cc2)CCO1"]
["85581028","Cc1ccc(N)c(Sc2ccc3c(c2)CCC3)c1"]
["163242940","CSc1ccc(C(O)C#N)cc1C"]
["183844346","CSc1ccc2c(C=C(C)C(=O)O)c3c(c(OC(C)=O)c2c1)CCCC3"]
["63258672","CSc1ccc(C(=O)N(C)C2COCC2C(=O)O)cc1"]
["25059890","CSc1ccc(NNC(=N)N)cc1"]
["31639920","Cc1ccnc(-c2c(-c3ccc(S(C)=O)cc3)nc3n2CCS3)c1"]
["126837237","CSc1cccc(N(C)C(=O)C2(C#N)CCCCC2)c1"]
["174276300","CSc1ccc(/C=C(/C(C)=O)C2=CCN(C)C=C2)cc1"]
["194609059","C[Si+][Si-]1(=[Si+]C)[Si]=[Si]=[Si]=[Si]=[Si-]1"]
["194609066","C[Si+][Si-]1(=[Si+]C)[Si]#[Si][Si-](=[Si+]C)([Si-]C)[Si]#[Si]1"]
["33075454","C[C@@H]1C(=O)C=CC[C@@H]1O"]
["194609077","C[Si+][Si-]1(=[Si+]C)[Si]#[Si][Si]#[Si][Si-]1(=[Si+]C)[Si-]C"]
["98642475","CC(C)C1C=CC(C)C2C(=O)OCC12"]
["168479450","C[Si+]=[Si-]1(C)CCCC1"]
["80912135","CC1C(=O)C=CCC1O"]
["194609070","C[Si+]=[Si]1[Si+][Si-](=[Si+]C)([Si-]C)[Si]#[Si][Si]1=[Si-]C"]
["162539364","CC1CC(NC2C=CS(=O)(=O)C2)C1C"]
["167246954","COC(=O)[NH+]=S1[C@H](C)C=C[C@H](C)N1C(=O)OC"]
["163497941","CC#C[PH]1(C)C=CC(C)C1C"]
["194609081","C[Si+]=[Si]1[Si](=[Si-]C)[Si+]=[Si]=[Si][Si-]1(=[Si+]C)[Si-]C"]
["168488238","[Si+]C([Si+])([Si-])[Si+]N[Si-]C([Si+])([Si-])[Si-]"]
["186008611","[Si-]N[Si+]C(Cl)(Cl)CC(Cl)Cl"]
["99403129","COC(C)C(OC)(OC)[Si+]N[Si-]C(OC)(OC)C(C)OC"]
["99478106","COC([Si+])(OC)[Si](C([Si+])(OC)OC)(C([Si-])(OC)OC)C([Si-])(OC)OC"]
["99478039","COC([Si+])(OC)[Si+](C([Si-])(OC)OC)C([Si-])(OC)OC"]
["168512921","[Si+]C([Si+])([Si-])P(P(C([Si+])([Si+])[Si-])C([Si+])([Si-])[Si-])C([Si+])([Si-])[Si-]"]
["99369711","CCCOC(C)(OCCC)C([Si+])(CC)NC([Si-])(CC)C(C)(OCCC)OCCC"]
["25622006","CC(C)([Si+])C(C)(C)[Si-]"]
["200246701","[Si]C([Si+])([Si-])NCl"]
["161731746","C[Si+]C([Si-])([Si+]C)[Si-]C"]
["168508487","FC(F)(F)[C+](C(F)(F)F)C([Si+])([Si-])[C-](C(F)(F)F)C(F)(F)F"]
["99471400","COC(C)(OC)C([Si+])(OC)SSC([Si-])(OC)C(C)(OC)OC"]
["195982950","[O-][CH-]ON[I+]I"]
["178627499","CC1CCC(NC2CCC([I+](O[CH-][O-])(C3CCC(NC4CCC(C)CC4)CC3)C3CCCCC3C)CC2)CC1"]
["173934876","[B+]C([B+])O[CH-][O-]"]
["178778526","C[I+]CNC[CH-][O-]"]
["99297396","[O-][CH-]O[Cl+]C(Cl)(Cl)Cl"]
["179307620","C[C-]([O-])OC(I=CN)([I+]I)I1CN1"]
["83943956","COC(=O)C1(C(=O)OC)CCC(I)C1(F)F"]
["49134206","CC1(C)CCCC(I)C1"]
["180939449","FC1C[C-]=C(N[I+]I)[CH-]C1"]
["195742765","[O-][NH+]1CCC(I)C1"]
["171431701","[O-][N+]1=NC1COCC1N=[N+]1[O-]"]
["195951690","[O-][CH-]C1CCCC1OI1N[I+]1"]
["170474618","Cl[S@@]1=N[S@]2=N[S@@](Cl)=N[S@]2=N1"]
["46849932","CC(C)(C)C1=NS(Cl)=NS(Cl)=N1"]
["79083769","C=C(Cl)Cl.C=CC(=O)O.C=CC=C"]
["79003208","CCN(CC)[Si](Cl)(Cl)CC"]
["167339054","ClC1=CSN=S1Cl"]
["90078922","CC(=O)c1nnc(Cl)o1"]
["100993539","ClS1=NP(Cl)(Cl)=NP(Cl)(Cl)=N1"]
["113816617","Cc1nc(Cl)c(Sc2nc(C)c(C)o2)nc1C"]
["167445226","ClS1=NSC=C1"]
["96652996","Cl[c-]1[pH]c(=[Cl+])[pH]1"]
["91025994","C=C(OC)[Si](Cl)(C[Si](C)(C)C)C[Si](C)(C)C"]
["78296924","C=C(Cl)C(=O)O.O[Si](O)(O)O"]
["98880721","Fc1cc(F)c(OCCN2CCN(C3=COC(CC4=CC=CCC4)=CO3)CC2)c(Br)c1"]
["63142924","CCN1CCN(c2c(Br)cc(C)cc2[N+](=O)[O-])CC1"]
["450300","N=c1[nH]c(NCCN2CCN(c3c(F)cc(F)cc3F)CC2)cc2nc(-c3ccco3)nn12"]
["150727047","COCCN1CCC(COc2cc(F)c3c(=N)[nH][nH]c3c2)CC1"]
["MCULE-9291463504","O=C(c1nonc1OCC(O)=Nc1ccccc1F)N1CCN(c2ncccn2)CC1"]
["131739122","CCN(CC)C(O)=NCCN1CCN(c2ncccn2)CC1"]
["187385675","N=C(O)c1cc(F)c(Br)cc1N1CCOCC1"]
["195484430","Cc1ccc2c3c(n(CCOc4c(Br)cc(S)c5c4N(C)CC=C5)c2c1C)C=CNCC3"]
["29127136","Cc1cnc(-c2cc(N=C(O)c3ccc(OCCN4CCOCC4)nc3)ccc2Cl)n1C"]
["56029457","CNCCCCCN1CCN(c2ccccc2F)CC1"]
["69117801","Clc1cnc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)c(Cl)c1"]
["195816061","CCCNC1CCN(CCOc2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccc(F)cc3)cc2)CC1"]
["97349225","Fc1[nH][c-][o+]c1F"]
["151797303","CN(C)C(=O)Sc1c(F)c(F)c(SC(=O)N(C)C)c(F)c1F"]
["173291536","Cc1n[c-][nH]c1C.[Rb+]"]
["183432335","Fc1[nH]c2c(F)c(F)c(F)c(F)c2c1F"]
["90133415","COc1ccc(Cl)c(C2CCNCC2)c1F"]
["106951823","CC#C[C@H]1NCCc2c1ccc(F)c2Cl"]
["172750981","Nn1[nH]c(Cl)c[s+](-c2c(F)c(F)c(F)c(F)c2F)[nH]1"]
["25528678","Cn1c(=O)n(-c2cc(Cl)c(S)cc2F)c(=O)n1C"]
["156382496","FC1=C[N]C(Cl)=C=N1"]
["191985409","Fc1ccc(P(F)(F)(F)F)cc1"]
["178270696","[B+]=C1CN[C-]=C(F)C1C"]
["67252423","OC(=Nc1c(F)cccc1Cl)N=c1cc[nH]cc1"]
["91201484","C12P3C4P1C1P2P2C3P4P12"]
["120485729","C1CC(NC2CSC2)C1"]
["91390454","C12P3P4P1[P+]234"]
["91003314","C12P3C4P1C1P2C3P41"]
["91213872","I[P+]1(I)P2P3P1[PH+]32"]
["59030443","CC1OP(N(C)C)OC1C"]
["168463269","[B]1C2P3C1P23"]
["96716451","C12C3C4C1P4P23"]
["97190074","C12C3C4P1C2P34"]
["60352660","C1C2C3C1P23"]
["171934348","C12C3C1P1C2C31"]
["149067250","CP12(I)P3C4P1C3P42"]
["168513008","OP=CC(=S)C=PO"]
["79490813","O[CH]P=CO"]
["172056324","O[B]P=S"]
["48638082","S=C(S)N=CS"]
["180928791","CN=C(Cl)/C=C(/Cl)C(=N)Cl"]
["79490121","OC(=S)C(O)=S.[Pd]"]
["98496500","S=C(S)SSSC(=S)S"]
["25429485","CC(=S)C=C(C)C"]
["25665468","O=CC(=S)S"]
["121011168","[2H]N([2H])C(=S)C(=S)N([2H])[2H]"]
["181267440","NC[C+](C=O)C(O)=S"]
["79221253","C=CCC(=S)CO"]
["161230829","CC(=O)N(N)C1=CC(c2c(N(N)C3=CCCC=C3)c3c(n2N)CN(C(=O)C2=CNCN2N)CC3=O)=CCN1"]
["30709127","N=C1NC/C=C(c2ccc3ncc(N4CCN(C(=O)C5(N)CC5)CC4)nc3n2)\\C=C/CO1"]
["99803286","CN(C)CC(=O)N1CCC2=C(C1)/C(=C1/C=C(Cl)C(O)=CC1=O)NN2"]
["172910823","Cc1cnccc1N1CCCN(C(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)CC1.O=CO.O=CO"]
["195410776","C[C@H](Oc1cccc(S(=O)(=O)CCCn2nc(C(C3=CCCC=C3)c3ccccc3)ccc2=O)c1)C(=O)O"]
["MCULE-3912454683","COc1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2)c(C)c1"]
["75218940","C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)CNOC)C2(C)C)C1=O"]
["81068075","CN(C)CC(=O)N1CCCCN2C(CO)C(c3ccc(-c4cncnc4)cc3)C2C1"]
["175635643","Cn1c2c(c3ccccc31)-c1c(n(-c3ccc(C4=CCCC=C4)cc3)c3ccccc13)C2"]
["82925975","CN1CCN(CCN(C2CCC=CN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1"]
["89906255","CC(=O)C1CCN(C(=O)c2cccnc2)CC1"]
["173292790","CS(=O)(=O)N(O)CCC1=CCCC=C1"]
["191753790","CCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)-c1cc(C)sc1C4(CCCC)CCCC)C(CCCC)(CCCC)c1cc(C)sc1-3"]
["60239301","CCCn1cc(N)cc1C(=O)N(CC)C(C)CC"]
["MCULE-8227869977","CCCCN(CC)c1nc2c(F)cc(F)cc2s1"]
["137361664","Cc1cc(C(C)N=C(O)Nc2cccc3n[se]nc23)c(C)s1"]
["46623425","CCCCC1CCC(C(O)c2sc(C)cc2Br)CC1"]
["150285774","Cc1ccc(C2(c3ccc(C)cc3)c3cc4c(cc3-c3sc(-c5ccc6c(c5)[nH]c5cc(C(C)(C)C)ccc56)cc32)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(C(C)(C)C)sc2-4)cc1"]
["69374820","BrCCCCCCCCC1(CCCCCCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21"]
["68686299","CCCCC1(CCCC)c2ccccc2-c2ccc(N(c3ccc(/C=C(\\C#N)C(=O)O)cc3)c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)cc21"]
["173998701","Cc1cc(-c2nc(-c3cccc(-c4nc(-c5cc(C)sc5C)c(-c5cc(C)sc5C)[nH]4)c3)[nH]c2-c2cc(C)sc2C)c(C)s1"]
["45828416","C=Cc1ccc2c(c1)S(=O)(=O)NC(=C1C(=O)c3cc(F)ccc3C(CCCC)(CCCC)C1=O)N2"]
["184013272","CC1=C(N=[N+]=[N-])c2cc3sc(C)cc3c(-c3ccccc3CN)c2C1"]
["84646213","CCc1ccc(C(O)C(C)C#N)s1"]
["45738459","Oc1nc(O)c2nc(O)[nH]c2n1.[Ca+2].[O-]c1nc2c([O-])nc(O)nc2[nH]1"]
["156115282","C[C@H]1C(=O)CC[C@H]1Cc1nc2c(O)nc(O)nc2[nH]1"]
["3228225","Nc1nc(O)nc([O-])c1N=O"]
["CSSS00164017511","CC(O)=Nc1ccc(NC(=O)c2ccnc3[nH]c(O)nc23)cc1"]
["168632267","Cc1ccc(S(=O)(=O)N/N=C\\c2c(O)nc(O)nc2O)cc1"]
["19445039","CCOC(=O)[C@H](CC)Sc1nc([O-])c2nc[nH]c2n1"]
["155199256","Cc1cc(Cc2nc3c(O)nc(O)nc3[nH]2)ccc1Br"]
["178300832","CC(C)C(O)Nc1nc(O)c2nc[nH]c2n1"]
["155139847","CC[C@@H]1OCCC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1"]
["161550045","CCCCCCCCCc1nc(NO)c2nc[nH]c2n1"]
["186012146","Oc1nc(O)[13c]2[15n]c[nH]c2n1"]
["194053987","CC.N=c1nc(O)c2nc([C@H](O)[C@H](O)CO)cnc2[nH]1.N=c1nc(O)c2nc([C@H](O)[C@H](O)CO)cnc2[nH]1"]
["76239055","[6CH3][8O][6C@H]1[6c]2[7n][6c]3[6c]([7n][6c]2[6CH2][6C@@H]2[6CH2][6CH2][6C@H]4[6C]5=[6CH][6C@@H]6[8O][6C@]7([8O][6C@]([6CH3])([6CH2][8OH])[6CH2][6C@H]7[8OH])[6C@@H]([6CH3])[6C@]6([8OH])[6C@@]5([6CH3])[6C@H]([8OH])[6CH2][6C@@H]4[6C@]21[6CH3])[6CH2][6C@@]1([6CH3])[6C@@H]([6CH2][6CH2][6C@H]2[6C]4=[6CH][6CH2][6C@@H]5[6C@@H]([6CH3])[6C@@]6([8O][6CH2][6C@]45[6C](=[8O])[6CH2][6C@@H]21)[8O][6C]([6CH3])([6CH3])[6CH2][6C@H]6[8OH])[6CH2]3"]
["76239049","[6CH3][6C@@]12[6CH2][6CH2][6C@H]3[8O][6C](=[8O])[6CH]=[6C]3[6C@H]1[6CH2][6CH2][6C@@]13[6CH2][6CH]([6CH2][6CH2][6C@H]12)[6C@]([6CH2][8OH])([8O][6C@@H]1[8O][6C@H]([6CH2][8O][6C@@H]2[8O][6CH2][6C@]([8OH])([6CH2][8OH])[6C@H]2[8OH])[6C@@H]([8OH])[6C@H]([8OH])[6C@H]1[8OH])[6CH2]3"]
["76238723","[6CH3][6C@H]1[6C@@H]2[6CH2][6CH2][6C@@H]1[6C@H]([8O][6C](=[8O])[6c]1[6cH][6cH][6cH][6cH][6cH]1)/[6CH]=[6CH]\\[6CH]=[6CH]\\[6C](=[8O])[8O][6C@H]1[6C@@H]([6CH3])[6CH2][6C@@H]3[6C@]1([8OH])[6C@H]([8OH])[6C@@]1([6CH2][8OH])[8O][6C@H]1[6C@H]1[6C@H]4[8O][6C]5([6c]6[6cH][6cH][6cH][6cH][6cH]6)[8O][6C@@H]([6C@@H]([6CH3])[6C@@]13[8O]5)[6C@@]4([8OH])[6C@]([6CH3])([8OH])[6CH2]2"]
["76239050","[6CH3][6CH2][6CH]([6CH3])[6C](=[8O])[8O][6C@H]1[6C@H]([8OH])[6C@H]2[6C@@H]([6CH2][7N]3[6CH2][6C@@H]([6CH3])[6CH2][6CH2][6C@H]3[6C@@]2([6CH3])[8OH])[6C@@H]2[6CH2][6C@]34[8O][6C@]5([8OH])[6C@@H]([8O][6C](=[8O])[6c]6[6cH][6cH][6c]([8O][6CH3])[6c]([8O][6CH3])[6cH]6)[6CH2][6CH2][6C@@]3([6CH3])[6C@@H]5[6CH2][6C@@H]([8O][6C]([6CH3])=[8O])[6C@H]4[6C@@]21[8OH]"]
["MCULE-6709119226","Cc1cc(C)n2ncc(C(=O)N3CC[C@H]4C[C@@H]3C(O)=NCCCN(Cc3cc5c(cc3C)OCO5)CCOc3ccccc34)c2n1"]
["76239053","[6CH3][6C]1([6CH3])[6CH2][6CH2][6C@]2([6C](=[8O])[8O][6C@@H]3[8O][6C@H]([6CH2][8OH])[6C@@H]([8OH])[6C@H]([8OH])[6C@H]3[8OH])[6CH2][6CH2][6C@]3([6CH3])[6C](=[6CH][6CH2][6C@@H]4[6C@@]5([6CH3])[6CH2][6C@@H]([8OH])[6C@H]([8OH])[6C]([6CH2][8OH])([6CH2][8OH])[6C@@H]5[6CH2][6CH2][6C@]43[6CH3])[6C@@H]2[6C@@H]1[8OH]"]
["76239070","[6CH3][6C@@H]1[6CH2][6CH2][6C@]2([6C](=[8O])[8O][6C@@H]3[8O][6C@H]([6CH2][8OH])[6C@@H]([8OH])[6C@H]([8OH])[6C@H]3[8OH])[6CH2][6CH2][6C@]3([6CH3])[6C](=[6CH][6CH2][6C@@H]4[6C@@]5([6CH3])[6CH2][6C@@H]([8OH])[6C@H]([8OH])[6C]([6CH2][8OH])([6CH2][8OH])[6C@@H]5[6CH2][6CH2][6C@]43[6CH3])[6C@@H]2[6C@]1([6CH3])[8OH]"]
["76239681","[1NH]=[1c]1[1n][1c]([1OH])[1c]2[1c]([1nH]1)[1NH][1C]1=[1C]([1C](=[1O])[1CH2][1CH2][1CH2]1)[1CH]2[1c]1[1cH][1cH][1c](Br)[1cH][1cH]1"]
["76239784","[1N]#[1C][1CH2][1CH2][1C@@H]1[1C@H]([1OH])[1C@@H]([1CH2][1OH])[1O][1C@H]1[1n]1[1cH][1cH][1c]([1OH])[1n][1c]1=[1O]"]
["76239819","[1O]=[1C]1[1C@H]([1C@@H]([1OH])[1c]2[1cH][1cH][1cH][1cH][1cH]2)[1N]=[1C]([1OH])[1C@@H]2[1CH2][1CH2][1CH2][1N]12"]
["76239698","[1O]=[1C]1[1CH]([1CH]([1OH])[1c]2[1cH][1cH][1cH][1cH][1cH]2)[1N]=[1C]([1OH])[1C@@H]2[1CH2][1CH2][1CH2][1N]12"]
["76239800","[1CH3][1C](=[1O])[1C]1=[1C]([1CH3])[1NH][1C]([1CH3])=[1C]([1C]([1CH3])=[1O])[1CH]1[1c]1[1cH][1cH][1c]([1OH])[1cH][1cH]1"]
["180018905","[CH-]=C(CCCC1(C)NC1CC1C2[C-]([O-])OCC2CC2(CCC3OC3(C)CCC3OC3(C)C)OC12)CCC1[I+]C1(C)C.[U]"]
["101038330","C/C(=C\\COS(=O)(=O)c1ccc([N+](=O)O)cc1)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C"]
["32450029","CC(=O)OC/C=C(\\C)CC[C@H]1O[C@]1(C)CCC(Br)C(C)(C)O"]
["68512736","CN1C(C)(C)CC(OC(=O)CCCCCCCCC2OOC23CC(C)(C)N(C)C(C)(C)C3)CC1(C)C"]
["185450952","CCCCCCCCCC1(C(O)=NC2CCCCC2C(CN=C([O-])C2OC(C)(C)OCC2(C)C)C(=O)O)CCC1"]
["32691598","COC(=O)/C=C(\\C)CC[C@H]1O[C@]1(C)CC[C@@H]1OC1(C)C"]
["179001508","C/C(I)=C\\CCC1(C)OC1CC/C(C)=C/CN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21"]
["97559385","CC1(C)OC1CC[C@]1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12"]
["63091871","COC(=O)[C@H]1O[C@]1(C)CCC1OC1(C)C"]
["32072086","CCOC(=O)CC[C@@H]1O[C@@]1(C)CC[C@H]1O[C@]1(C)CCC=C(C)C"]
["29039277","CCCCCC(C)(O)CCCC(C)(O)CCCC1(C)CCC2CC(O)C(C)C(C)C2O1"]
["195086517","CCCCCNC1CC(C2CC(CCC3OC3(C)C(=O)OC3CC4C(CC5OC(C)CC(=O)C5C4O)OC3(C)C)CC(N)N2)CCN1"]
["70090769","FC(F)(F)C=CC(CC(CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F"]
["12139202","CC(C)C[C@@H]([NH3+])[C@@H](O)C(F)(F)F"]
["33003639","COC(=O)COC(/C=C\\C(F)(F)F)C(C)c1ccccc1"]
["79234657","CN(C)C(CC(=O)N=O)C(CC(F)(F)CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)S(=O)(=O)O"]
["179407660","C=CCC(CC[C@H](O)C(C)=O)C(F)(F)F"]
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["66879370","FC(F)(F)C(/C=C/C(C(F)(F)F)C(F)(F)F)C(F)(F)F"]
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["181515996","Cc1ccccc1S(=O)(=O)NN(N=[N+]=[N-])S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1C"]
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["47405823","CCCCC(CC)CC1(CNCC(C)C)CCCOC1"]
["183335979","CCCCN(CCCC(N(N)N)(N(CCCC)CCCC)N(CCCC)CCCC)N=[N+]=[N-]"]
["119592591","CCCCS(=O)(=O)Nc1ccc(NCCC(C)C)cc1"]
["68731314","CCCCC(CC)C[NH+]=c1nc(N(c2ccccc2)c2nc3cc(C(C)(C)CC)ccc3o2)[nH]c(N(c2ccccc2)c2[nH+]c3cc(C(C)(C)CC)ccc3o2)n1"]
["79307913","CCCCC(CC)CC(CCCCCCCCCCCC(=O)O)C(CC)(CC(CC)CCCC)C(=O)O"]
["169678607","C=C(C)C(=O)OCC(C)(C)C(CCC(C)(COC(=O)C(=C)C)C(C)(C)NS(=O)(=O)C(F)(F)F)NS(=O)(=O)C(F)(F)F"]
["183623275","CCCCCS(=O)(=O)NN(N=[N+]=[N-])S(=O)(=O)CCCCCC(NS(=O)(=O)CCC)NS(=O)(=O)CCCC"]
["183006627","CCCCCCCCC(CC)OC(=O)CCCCCCCN(CCCNc1c(NC)c(=O)c1=O)N=[N+]=[N-]"]
["15811182","CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(N=C(O)C(C)C)c1"]
["173564345","ISC#CC=C1CC2(CCNCC2)C1"]
["154776922","Cl.FC1(F)C(C2CCCC2)C12CCNC2"]
["199252729","CC1(F)CCN(CC2CON=C(C3(C)CCNCC3)O2)CC1"]
["175831446","Clc1nnc(Cl)c(N2CC3(CCNCC3)C2)n1"]
["95630463","CC1(N=C(O)C2CCOc3ccccc32)CCNCC1"]
["197284264","COCC(C)(N)C1(O)CCNCC1"]
["162659199","OC1(Cc2csc(Cl)c2)CCNCC1"]
["146578006","Cl.OC(=NC1(c2ccc(Cl)cc2)CCCCC1)C1CC12CCNCC2"]
["114559715","O=C1C=C/C(=C2/N=C(C3(O)CCNCC3)ON2)C=C1F"]
["117073628","CC1(C(=O)N2CCC3(Cc4c(nc(=N)[nH]c4N)O3)C2)CCNCC1"]
["112353162","NC1(c2ncc(C3CCNC3)[nH]2)CCC1"]
["160994450","OC(=NCc1ccccc1CN1CCC(O)C1)N1CCC2(CCNCC2)CC1"]
["79588803","C=CCc1[nH+]c(CC=C)n(CC=C)c1CC=C.F[B-](F)(F)F"]
["79265089","C=CC/C(=C/OC=C)C(=O)O"]
["168412219","C=CCn1c(O)c(C=C2C=Nc3ccc(F)cc32)c(O)nc1=S"]
["61213299","C=CCn1c2ccc(O)cc2c2cc(O)ccc21"]
["52173448","C=CCN1Cc2c(O)nc(=O)n3c2N(C1)CN(CC=C)C3"]
["91178685","C=CCn1cnc(=O)c2cc(F)ccc21"]
["162024321","C=CCn1c(=N)[nH]c2cc(C(=N)O)ccc21"]
["2487640","C=CCn1c(SCc2cccc(C)c2)nnc1C(C)C"]
["115282813","C=CCn1c(C)nc(-c2cc(Cl)ccc2Cl)c1N"]
["79278013","C=CCC1=CC([Si](CC=C)(CC=C)CC=C)=[C]C1"]
["177144120","C=CCn1c(=O)n(CC=C)c(=O)n(C(C)C#N)c1=O"]
["973193","Br.C=CCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2ccccc21"]
["97373568","CC(C)(C)CN1BN2BN(CC(C)(C)C)C(C(C)(C)C)N(CC(C)(C)C)B2N(CC(C)(C)C)B1"]
["88762537","CC(C)C1NCC(=O)N1CC(C)(C)C"]
["59265632","CC(C)(C)CN1CCC2CCC2C1"]
["85746352","CC(C)CC1(CN2CC(C(C)(C)C)NCC2C)CCCC1"]
["159116109","C[C@H]1CC[C@@H](N)CN1CC(C)(C)C"]
["93611138","C#CCN1CCN(C(=O)CC(N)CC(C)(C)C)CC1"]
["52770677","CC(C)(C)CN1C=NNC1C(Cl)(Cl)C(Cl)(Cl)Cl"]
["54737234","NC1CCN(C(=O)CC(F)(F)F)CC1"]
["114113161","CC(C)C1(O)CN(C(=O)CC(N)CC(C)(C)C)C1"]
["197169881","CC(C)C(C)(C)c1nnc(S)n1CC(C)(C)C"]
["137273403","CN(CC1CCN(C(=O)c2ccc(Cl)s2)CC1)C(=O)OC(C)(C)C"]
["46291989","CC(O)(CN=C(O)N1CCC(N)CC1)CC(=O)O"]
["180372660","IN1[N-][N-]C2=C1CC[I+]CCC2"]
["195527377","[O-][C-]1C[I+]CCC1=ICI"]
["174945814","CC1=CC(C)(C)N(I)CCC1"]
["128631112","O=C(c1cc(F)c(O)c(F)c1)N1CCCc2cc(Br)ccc21"]
["171811104","CC1=C[I+]NC(CN2C=C(C3CC3)[N-][N-]2)=C1"]
["184257086","CCN1C2=C(C[I+]C2)[N-]C1=C1[N-]C(C)=NN1C"]
["175900216","COC=C1C=C(O)CCC1"]
["179353507","[CH2-][C-]=C1CC[I+]CC1"]
["103065611","Cc1cc(C#N)c2n1CCCC2"]
["178480963","[CH2-][C-]=C1CCC[I+]C1"]
["167199313","C=[N+]1[N-][N-]C2=C1CCCCCC2.[Y]"]
["178251222","CI=C1[N-]N(I)C2CCCC12"]
["195489851","CO[N+](C)(C)O[N+](C)(C)O[N+]1(C)CC1(C)O[N+](O[N+](C)(C)C)(O[N+](C)(C)C)O[N+](C)(C)C"]
["89196291","COc1c(Cl)cccc1C1(N)CC1(C)C"]
["63128256","CO[C@]1(C)C[C@@H](O)[C@@H](O)C(C)O1"]
["145222181","COC1(C)C[C@]2(C)C=C[C@](C)(C1)O2"]
["178962559","CC1(C)C[N+]12CC2(C)C"]
["97127068","COc1cc2c(OC)cc3c(c2cc1OC)CCCC3(C)C"]
["116295715","COc1cc2cc(C(=O)N3C[C@H]4CC45C3=CC(=O)c3[nH]c(C)cc35)[nH]c2c(OC)c1OC"]
["184587280","CCC1C[N+](C)(C)CC1(C)CC"]
["26830363","COC1(C)CCOC(C(C)C)C1"]
["64502426","COP123OCC[N+]1(CCO2)CCO3"]
["175686829","CO[N+]1(C)CCC(C)(C)CC1"]
["59747195","C=CC1(OC)CCC[Si](OC)(OC)O1"]
["170653746","CC(C)N[C+]NN[C-]NC(C)C"]
["179292116","CC(C)NI(CO)CC[C@H](N)N(C)N(C)C"]
["186053647","CC(O)C(F)(C(F)C(F)(F)F)C(F)(F)F"]
["170178434","CSNOC(C)C"]
["74572133","COCC(C)OC1CCC1"]
["93945772","CNC(C)C1C(C)(C)C1(C)C"]
["88370939","COCCC(C)Nc1ccc([N+](=O)[O-])c(Cl)c1"]
["156339175","CC(NC1CC2CC=CC21)C(F)(F)F"]
["180809333","CC[I-]NC(C)C"]
["120904506","CNC(C1CCCC1)C(C)C(=O)O"]
["79114517","CC([C@H](C)O)C(F)(F)F"]
["120056678","CNC(CCC(C)OC)c1c(C)cc(C)cc1F"]
["168622169","CC1(C)CCCC(C)(C)N1B=[B-]([B+]N1C(C)(C)CCCC1(C)C)N1C(C)(C)CCCC1(C)C"]
["114823143","Cc1ccc(N2CCCC2(C)C)c(C(=N)N)c1"]
["182638202","CCOCCCN(C=O)N1C(C)(C)CCCC1(C)C"]
["196725178","CC1(C)CCCC(C)(C)C1.CN1C(C)(C)CCCC1(C)C"]
["174569692","CCCC1CC[Si](OC)(OC)C(OC)(N2C(C)(C)CCCC2(C)C)C1"]
["96119752","CC1(C)CCCN1c1ncc(CCl)cn1"]
["68090248","CC1(C)CCC(O)C(N2CCC3(CCCC3)CC2)C1"]
["78834305","CC(C)=C(C)C(=O)ON1CCCCC1(C)C"]
["158019199","CC[C@@H]1N=C(O)C12CCC2"]
["67456775","CC1(C)CC(c2cc(N3C(C)(C)CCCC3(C)C)n(C=O)c2)CC(C)(C)N1"]
["160868775","CC(C)=CCN=C(O)N1CC2(CCC2)C2COCC21"]
["85170374","CCNC1(CO)CCC(N2CCCC2(C)C)C1"]
["175301864","O=C=NOSSSSN=C=O"]
["74010701","O=C=NSS(=O)(=O)c1ccccc1"]
["116283103","COC(CC[SiH2]N=C=O)(OC)OC"]
["26542693","O=C=N[SiH2]O[SiH3]"]
["25087824","O=C=NCC1CCC(CN=C=O)C1"]
["181961867","[N-]=[N+]=NOON=C=O"]
["112345577","COc1ccc(F)cc1C(F)N=C=O"]
["175298370","F[B-](F)(F)F.O=C(O)C(=O)O.O=C=NSN=C=O"]
["183355862","[N-]=[N+]=NC(=O)ON=C=O"]
["171671367","Cc1ccc(N=C=O)c(N=C=O)c1O"]
["172539003","[C-]#[N+]OCC1CCCC(CN=C=O)C1"]
["176926550","CC.O=C=NON=C=O"]
["91215809","ClC(Cl)[Si]CB1OB(C[Si+]C(Cl)Cl)OB(C[Si-]C(Cl)Cl)O1"]
["83058206","FC(F)(CC[Si+]C(Cl)Cl)C(F)(F)CC[Si-]C(Cl)Cl"]
["45885137","O=C(O)C1CC2C=CC1(CCC[Si]C(Cl)Cl)C2"]
["172075802","O=C1CC(CC[Si]C(Cl)Cl)C(=O)O1"]
["48407464","CC(=O)OCC[Si]C(Cl)Cl"]
["171098357","CC(C[Si+]C(Cl)Cl)CN(CC(C)C[Si-]C(Cl)Cl)c1ccc(Cc2ccc(N(CC(C)C[Si+]C(Cl)Cl)CC(C)C[Si-]C(Cl)Cl)cc2)cc1"]
["91175863","CC([Si]C(Cl)Cl)B(CC[Si-]C(Cl)Cl)C(C)[Si+]C(Cl)Cl"]
["91309841","[B+]CC[Si-]C(Cl)Cl"]
["83060580","O=S(=O)(Cl)C[Si]C(Cl)Cl"]
["83056518","ClC(Cl)[Si+]CCC[Si](CCC[Si+]C(Cl)Cl)(CCC[Si-]C(Cl)Cl)CCC[Si-]C(Cl)Cl"]
["99477893","COC(OC)[Si]CCCCCC[Si](C)(CCCCCC[Si+]C(OC)OC)CCCCCC[Si-]C(OC)OC"]
["99387944","CC(Cl)CC[Si]C(Cl)Cl"]
["172542943","[S-]C[Br+]Cc1cc(CBr)cc(C2[N-]C=CO2)c1"]
["51049841","Br.Brc1ccc2cc1C2Br"]
["86625572","FCCCOc1ccc(CBr)cc1C(F)(F)F"]
["23575179","Cc1cc(F)cc(CBr)c1"]
["25364255","N#Cc1ccc(CBr)cc1Cl"]
["33391430","BrCc1cc(CBr)cc(OCCCCCCCCOc2cc(CBr)cc(CBr)c2)c1"]
["MCULE-8385486717","N#Cc1cc(C2CC2CCBr)ccc1O"]
["180015500","CCC1=CC2=C3C(=CC(Cl)=C4c5c(Cl)cc6c7c(cc(Cl)c(c57)C1C34)SS6)SS2"]
["42291858","BrCc1cccc(OCCc2ccccn2)c1"]
["176377157","O=C1COc2ccc(CBr)cc21"]
["114638313","COCCC(C)Oc1c(Br)cc(CBr)cc1Br"]
["91647848","NNS(=O)(=O)c1ccc(CBr)cc1"]
["195975018","CC1(C)SC2=C(N(O)C(C)(C)N2O)C(C)(C)N1O"]
["150409731","CC1(C)CC([N+](C)(C)C(=NC#N)[N+](C)(C)c2cc(Cl)cc(Cl)c2)C(C)(C)N1O"]
["150296544","C=CC(C)=CC1(C)SC(=O)C(C(=O)O)C1=O"]
["9202027","CC1(C)C(Br)=C(CSS(C)(=O)=O)C(C)(C)N1O"]
["180226623","CCC(CC)OC1CC(C)(C)N(O)C1(C)C"]
["147608705","CCOC(=O)N1c2ccccc2SC1(C)C"]
["150491361","CN1C(C(C)(C)C)C(C)(C)N(O)C1(C)C"]
["43074419","CC1(C)C=C(NO)CC(C)(C)N1O"]
["55061872","CC1(C)CC(Cl)CC(C)(C)N1O.Cl"]
["78315228","CN1C(=O)C(C)(C)S/C1=N/OC(=N)O"]
["102587868","CC[C@]1(C)N(O)C(=C2C=CC(=[F+])C=C2)C(C)(C)N1O"]
["68559782","CC(=O)N1C(C)(C)C=C(C)C1(C)C"]
["170653766","O=C1O[Te]23OC(=O)C(O2)C2O[Te]4(OC(=O)/C(=C\\1O3)O4)OC2=O"]
["167561947","O=C1O[C@H]2CC/C=C\\CC[C@H]12"]
["61487251","O=C1OP23([Se-])OC(=O)C(O2)C2OP4([Se-])(OC(=O)C(O4)C1O3)OC2=O"]
["64516563","CC1=CC(C(C)NP)OC1=O"]
["32713649","C=C[C@@H]1OC(=O)[C@@H]2[C@H](I)[C@@H]21"]
["162274302","CC1CC(N(C)C)C(O)C(=O)O1"]
["180022007","N=C1N=C(P)OC1=O"]
["58461439","CC(C)=C1OC(=O)C1C"]
["164526619","CC1CC(C[Se]c2ccccc2)OC1=O"]
["53499174","CCON1CCC2(CC1)OC(=O)C(c1c(C)cc(C)cc1C)C2=O"]
["110481872","Cc1ccc([C@H]2C(=O)Oc3ccccc32)cc1"]
["11480449","Cc1nnc(S[C@H]2CCOC2=O)o1"]
["180681595","CC1=C(C2C3C(=N)C=CC3=CC3NC=CC32)CCC2CCC3=CCC(C4=C5CCNC5CC5CCNC45)[C@H](C)C3C12"]
["175243072","C=C(/C=C1C(=C/C)\\C=CC(=O)C\\1[C@H]1CCCc2ccccc21)Cc1ccc(C2CCC(C)CC2)cc1.[HH]"]
["179529154","Cc1cccc(C2C=CC3=C(C2)C2=C(C(=N)N)CCCC2O3)c1"]
["146992819","Cc1ccccc1C1CC1C(O)=NC1CCNC(C)C1.Cl"]
["106954922","Cc1cc2c(cc1O)[C@H]([C@H]1CCCc3ccccc31)NCC2"]
["46344583","CNC1CC(C2=C(C)NC3C=CC(F)=CC23)c2ccccc21"]
["65028926","Cc1ccc(C2CC(C)CCN2)c(C)c1"]
["186191900","Cc1cc2c(N3CCC(N4C[C@@H]5CCN[C@@H]5C4)CC3)ncnc2s1.Cl.Cl"]
["148023787","CCC(c1ccc(Br)cc1)N1CCC2NCCC2C1"]
["113672694","CC1CCC(C2NCCc3ccc(O)cc32)CC1C"]
["81528247","CN(C)C1CCN(CCc2ccc(NC3NC(c4cnc(=N)[nH]c4)CC4CCN=C(O)C43)cc2)C1"]
["106930580","Cc1ccc2c(c1C)CCN[C@@H]2[C@H]1CCCc2ccccc21"]
["100852492","C1#CC[N+]23CCC(CC2)C[NH+]3CCCCCCCC[NH+]2CC3CC[N+]2(C1)CC3"]
["187058880","[CH2-][NH+]1CCCCC1.[Rf]"]
["73479139","CC1C[N+]2(CCCCC2)C(C)C(C)C(C)C1C"]
["163728532","CN1C2CCCCCCCCCCCC(CC2)SC2CCCCCCCCCCCC1CC2"]
["178822244","C1#CC(C2CCC(C3CCCC3)CC2)CC(C2CCCCCCC2)C1"]
["53814688","Cl[Si](Cl)(Cl)C1CCCCCCCCC[N+]12C=CC=C2"]
["194748456","CC1CCCC[NH+]1[O-]"]
["75910987","[CH+](CC[CH-][N+]12CCC(CC1)CC2)[N+]12CCC(CC1)CC2"]
["4619689","O/N=C1\\CCCC[C@@H]1[NH+]1CCCCCC1"]
["194090976","CC1CCC[N+]2(CCCCC2)C1.[Br-]"]
["77740862","Cc1cc(C)c(C[NH+]2CCC([NH+]3CCCCCC3)C(O)C2)cc1C"]
["180213311","C1CC[C@H]2CCC3CC[C@H](CC1)N32"]
["185874192","C1=COOC(C2CCP(C3=CC=COO3)C(C3=CC=COO3)(C3=CC=COO3)C(C3=CC=COO3)(C3=CC=COO3)C2(C2=CC=COO2)C2=CC=COO2)=C1"]
["183199611","O=C(NC1C(c2ccccc2)=C(C23CCC(CC2)CN3)c2ccccc21)C1=CC=COO1"]
["11619396","COc1cc(C)c2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"]
["183308923","ClP1CCC2OC=CC=C2O1"]
["113908610","O=C1C=CC=C(F)/C1=C1\\Nc2cccnc2N1C1CC1"]
["183078430","CC1CCC2C=CC=C2O1"]
["178488847","CC1(C)COC2(CCC3=C4C(CCC3C2)C2CCC([C+]=CC=S)(C=O)C2(C)C[C@@H]4c2ccc(C=O)cc2)OC1"]
["83098524","CC1=Cc2occ(C)c2CC2(O)C(C)CCC12"]
["179234250","O=NOCC1=CC=COO1"]
["73581921","Cl.NCC1=CC=COO1"]
["97108842","C[C@@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O)C(=O)C[C@](C)(O)C[C@@]4(O)C=C3)O[C@@H]2C)CCC1=O"]
["173452741","C1=COC2CCC3CCCC3C2=C1"]
["61732941","C[O+]=[Si]1O[Si](=[OH+])O[Si-](O)O[Si-](O)O1"]
["167224164","C[O+]=C(C(C)[N+](C)(C)C)N(C)C"]
["172406092","CO[Si]1O[Si](=[O+]C)O[Si](=[O+]C)O[Si-](OC)O[Si-](OC)O1"]
["78106046","CC([SiH3])=C(C)CCCCC1CO1"]
["190882820","CO[Si-]1O[Si](=[O+]C)O[SiH](C)C[SiH](C)O1"]
["57949736","CO[Si]1O[Si](=[O+]C)O[Si-](OC)O1"]
["97346749","C[Si](C)(C)[Si]1=[Si]([Si](C)(C)C)[Ge]1([Si](C)(C)C)[Si](C)(C)C"]
["67976041","C[O+]=[Si]1C[Si-](C)C1"]
["91175146","O=[Si]1O[Si]([OH2+])O[Si-](O)O1"]
["51707912","C[Si]1(C)O[Si](=[OH+])O[Si-]2C[Si](C)(O1)O[Si](C)(O)O[Si](O)O2"]
["59880608","CO[Si-]1COCC(O)CNCCCCNCC(O)COC[Si](=[O+]C)O1"]
["168552215","CC1CC2CC(C)O[Si-](O)O[Si](O2)O[Si](=[OH+])O1"]
["161787593","CC[Si](C)(C#C[Si](C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C#C[Si](C)(C#C[Si](=C=[C+][Si](C)(C)C)C#C[Si](C)(C)C)CC)C#C[Si](C)(C#C[Si-](C#C[Si](C)(C)C)C#C[Si](C)(C)C)CC"]
["MCULE-2000671635","Cn1ncc2c(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c(=NCC3CCCO3)nc21"]
["84028496","CC[Si](CC)(CC)C(N)C#C[Si](C)(C)C"]
["110727291","N#C/C(=C\\c1cnn(CCCl)c1)C(O)=Nc1ccccc1C(F)(F)F"]
["83055736","CC[Si](C)C#C[Si](C)(C)C"]
["140361951","Cn1nccc1C(O)=Nc1ccc(CCn2cc(Br)cn2)cc1"]
["140619510","CCc1noc(CC)c1CN=C(O)C1(C)CC1(Cl)Cl"]
["164959208","CC[Si](CC)(CC)O[C@@]1(C)C=CC(O)=C(C)[C@H]1C#C[Si](C)(C)C"]
["167067013","CN1CCn2ncc(-c3nc(C(C)(C)C)no3)c2S1(=O)=O"]
["98958660","CC[Si](CC)(CC)O[C@@H](C=CI)CC#C[Si](C)(C)C"]
["MCULE-9963049929","CCCCN(C(=O)C1CCOCC1)c1ncc(-c2cn(C)nc2C(F)(F)F)cn1"]
["96924331","CC(C)(C)S(=O)C/C=C/CCC#C[Si](C)(C)C"]
["90821143","COC1=CC=CC(=CNN=C2C=CC3C4C=CC(C4=O)C23)C1=O"]
["MCULE-4892288864","CCOC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3cccc([N+](=O)[O-])c3)C3C=CC=CC3C2=O)cc1"]
["54536953","COC1=CC=CC(=CNn2c(C)cc(C)cc2=O)C1=O"]
["165835620","CC/C(NO)=C1\\C(=O)C=CC=C1OC"]
["42655270","COC1=CC(Br)=CC(=CNNc2nc3ccccc3s2)C1=O"]
["42976823","O=C1C([N+](=O)[O-])=CC=C/C1=C\\NNc1nc(OCC(F)(F)F)nc(N2CCCCC2c2ccccn2)n1"]
["180017293","CCC1C=CC=Cc2cccc(OC)c21"]
["81126790","COC1=CC(=CNn2cnc3sc(C)c(C)c3c2=O)C=C(Cl)C1=O"]
["110909595","COC1=CC(=O)C(=CNCCCCCNC=C2C=CC(OC)=CC2=O)C=C1"]
["200491583","CC(C)(C)OC(O)=NCC=Cc1ccc2c(c1)-c1ccccc1C(=O)C2=O"]
["50920296","O=C1c2ccccc2-c2cccc(C(O)=Nc3cccc4c3C(=O)[C@H]3C=CC=C[C@H]3C4=O)c21"]
["58768668","Cl.N=C(N)NN/C=C1\\C=CC=C(O)C1=O"]
["11870117","c1ccc2c(c1)=[NH+]C(CS[C@@H]1N=Nc3nc4ccccc4n31)[NH+]=2"]
["136631401","COC(=O)c1ccc(CN=C(O)C(C)c2cn(C)c3ccccc23)cc1OC"]
["20136345","Cc1c(C#[NH+])c2nc3ccccc3n2c(=O)c1=CN1CCC[C@@H](C)C1"]
["17673544","C[C@@H]1[NH+]=c2ccccc2=C1C(=O)CSc1nnc(-c2ccccc2)o1"]
["185390083","Oc1nc2ccccc2n1C1CCN(CCC=Cc2ccc(F)cc2)CC1"]
["123043118","Cc1c(C(O)=NCc2nc3ccccc3n2C2CC2)cnn1-c1ccccc1"]
["55119923","COC(C)n1c(C)cc2ccccc21"]
["110172525","Cn1ccnc1Sc1ccc(F)cc1N=C(O)Cn1c(CS(C)(=O)=O)nc2ccccc21"]
["59047456","Cc1ccc(Cn2c(C(C)N=C(O)c3ccccn3)nc3ccccc32)cc1"]
["78160821","CN(C)CCn1cc(N2C([AsH2])=NC(n3c(C(F)F)nc4ccccc43)=NC2N2CCOCC2)cn1"]
["176400171","Cn1nc(-c2cccc(F)c2)c2ccc(C(C(F)F)N3CCC(c4nc5ccccc5n4C(F)F)CC3)cc21"]
["59399976","Cn1c(C(=O)/C=C/c2ccc(N([O-])O)cc2)nc2ccccc21"]
["65588181","[O-]P1(OCC(F)(F)CCOC(F)(F)F)=NP(OCCF)(OCCF)=NP(OCC(F)(F)CCOC(F)(F)F)(OCC(F)(F)CCOC(F)(F)F)=N1"]
["67680808","CC1(c2ccccc2)CNCCN1CCOC(F)(F)F"]
["170245884","CCC(CC(F)(F)CC(C)n1cc(COCCOC)nn1)n1cc(COCCOC)nn1"]
["111738463","CC(CN)(CCCC(F)(F)F)OCCO"]
["185234763","C[Si](C)(COC(F)(F)F)[N+](=O)[O-]"]
["21644299","CN(CCOCC(F)(F)F)[C@H](c1ccccc1)c1ccccn1"]
["181527052","[N-]=[N+]=NOC(Cl)(OCCF)C(Cl)(Cl)Cl"]
["86722984","FC(F)(F)OCCN1CCOC(CCl)C1"]
["49455499","CCCCOCCCOC(F)(F)F"]
["92283658","COC(=O)C(C)(CCOC(F)(F)F)C(=O)O"]
["194225471","OCC(O)COCCC(F)(F)COCC(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)CO"]
["176033668","FC(OCCOCC(F)(F)F)C(F)(F)F"]
["180853791","I[C-]1[C-](C[IH+])C2CC3CCC2[I+]C1C3"]
["109112540","C[C@H](N=C(O)CCC(O)=N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2"]
["95189275","Oc1nncc(NC2CC3CCC2C3)c1Br"]
["49353934","CCN(CC)CC(O)=NC1CC2CCC1C2.CI"]
["79221180","C=CCBC1=CC2CC(C1C)C2(C)C"]
["171603585","ICC1CC2CCC1(CI)C2"]
["169932159","ICN1CC2CCC(C2)C1"]
["173220114","CN.OC[N-]C1CC2CCC(C2)C1.[Y]"]
["75631888","OC(=NCSNC1CC2CCC1C2)NC1CC2CCC1C2"]
["185981485","N[C@@H]1CN[C@@H]2CC[C@H](C1)C2"]
["184262606","CC1C2C[C@@H]3CCC2N1CC3"]
["186154133","C[C@@H](C(=O)O)[C@H](O)C[C@H]1C[C@@H]2CC[C@@H](C2)C1"]
["176315377","CC(C)=C(Br)n1c(=N)n2c(I)c(Br)nc2n2c(Br)c(Br)nc12"]
["195193770","O=Cc1nn(PI)c(Br)c1Cl"]
["174503433","CC(=O)Oc1ccc(N)c(Br)n1"]
["172866530","COC(=O)N(c1ccc(Br)n2c(Cl)c(C(F)(F)F)nc12)C(C)(C)C"]
["168888911","CC(=O)c1[nH]c(C)c(C(=O)N2CCCN(C(=O)c3c(C)noc3C)CC2)c1C"]
["MCULE-7387976256","CSc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(I)c1C(=N)O"]
["186277546","Cc1c(I)ccc2nc(=N)[nH]n12"]
["162726994","CC(C)=CC(N)c1cnn(C)c1Br"]
["164194399","COC(=O)CCCn1c(C)nc(Br)c1Br"]
["162270990","CCCn1c(CC)nc(Br)c1Br"]
["29964160","O=C(O)N1CCC(c2nc(Br)c(Br)n2CCOC2CCCCO2)CC1"]
["164336146","CSc1nc(=N)[nH]n2c(I)nnc12"]
["101149089","CC1=CC(C)=[N+]2C1=C(C)c1c(C)c(C3=C(C)C4=C(C)C5=C(C)C(=C6C(C)=C7C(C)=C8C(C)=CC(C)=[N+]8[B-](F)(F)[N+]7=C6C)C(C)=[N+]5[B-](F)(F)[N+]4=C3C)c(C)n1[B-]2(F)[F+]"]
["96787244","CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)c(NC(=S)Nc3ccc(C#Cc4ccc(C5=C6C(C)=CC(C)=[N+]6[B-](F)(F)n6c(C)cc(C)c65)cc4)cc3)cc1C21N=C(O)c2ccccc21"]
["101142600","CC1=CC(C)=[N+]2C1=C(C)c1c(C)c(I)c(C)n1[B-]2(F)[F+]"]
["147839009","CC1=CC(C)=[N+]2C1=C(CCCCc1cn(CCCCCCCC(=O)N3[C@@H]4[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]43)nn1)c1c(C)cc(C)n1[B-]2(F)[F+]"]
["96914475","CCC1=C(C)C2=C(C)c3c(C)c(CC)c(/C=C/SCCO)n3[B-](F)([F+])[N+]2=C1C"]
["101173446","C#CCCCCCC1=C2C(C)=C(CC)C(C)=[N+]2[B-](F)([F+])n2c(C)c(CC)c(C)c21"]
["97782037","CC1=C(C#Cc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(I)c(C)n1[B-]2(F)[F+]"]
["97033068","CC1=C(/C=C(\\C#N)C(=O)O)C(C)=[N+]2C1=C(C)c1c(C)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C)n1[B-]2(F)[F+]"]
["172897656","CC1=CC(C)=[N+]2C1=C(CCCCCCCC/C=C/[C@@H](O)[C@H](CO)N=C(O)CBr)c1c(C)cc(C)n1[B-]2(F)F"]
["96993816","CC1=[N+]2C(=C(/C=C/C(C)C)c3ccc(C)n3[B-]2(F)[F+])C=C1"]
["97656926","CC1=CC(C)=[N+]2C1=C(c1ccc(Nc3ccccc3N)cc1)c1c(C)cc(C)n1[B-]2(F)F"]
["96531234","CC1=CC(C)=[N+]2C1=C(c1ccc3c4c(ccc3c1)=[O+]C[O+]=c1ccc3cc(C5=C6C(C)=CC(C)=[N+]6[B-](F)(F)n6c(C)cc(C)c65)ccc3c1=4)c1c(C)cc(C)n1[B-]2(F)F"]
["179207135","O=C1C=IC2=C(C=CC=I2)C1=N[NH+]=c1ccn(CCCCCCn2ccc(=[NH+]N=C3C(=O)C=Cc4ccccc43)cc2)cc1"]
["161790719","O=C1C=Cc2ccccc2/C1=C/NNC(S)=NCc1c2ccccc2cc2ccccc12"]
["96980724","COc1ccc([C@H](O)CN=C(O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1"]
["99810530","O=CC1=CN/C(=C2/C(=O)C=Cc3ccccc32)N1"]
["47051875","CC(=O)N1N/C(=C2\\C=Cc3ccccc3C2=O)CC1c1cccs1"]
["MCULE-2514287547","O=C1c2ccccc2C(=O)N1CCCCSCCCO"]
["MCULE-5471645266","COc1ccc(N=C(O)Cc2nonc2OCCCN2C(=O)c3ccccc3C2=O)cc1Cl"]
["107367875","CC[C@@H](C(O)=NCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1"]
["9535002","[NH2+]=C1c2ccccc2CN1CCCCN1Cc2ccccc2C1=[NH2+]"]
["MCULE-9533694081","CC(C)C(C(O)=NCC(c1ccccc1)S(=O)(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O"]
["197420789","O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)ON1C(=O)c2ccccc2C1=O"]
["78988618","CC=C1C=C[C]2C=Cc3ccccc3C2=C1"]
["164569065","NC1=C[C+](N)C2=C=C1N=C1[N-]C(=C(N)C=C1N)[N-]c1[c+]c([c+](N)cc1N)=NC1=NC(=N2)[C+](N)C=C1N"]
["89001631","CCCNC(C)Cc1cn2c(-c3ccc(C)cc3)c(C)sc2n1"]
["MCULE-1296029849","CCCOc1ccc(-c2c(C)sc3nc(CC(C)N)cn23)cc1"]
["107180655","CCCN[C@H](C)Cc1cn2c(-c3ccc(C)cc3)c(C)sc2n1"]
["107180654","CCCN[C@@H](C)Cc1cn2c(-c3ccc(C)cc3)c(C)sc2n1"]
["MCULE-8583902039","CCC(C)c1ccc(-c2c(C)sc3nc(CC(C)N)cn23)cc1"]
["58767921","NC1=CCC(NC2CC=CC(F)=C2F)c2nonc21"]
["161512554","N=Cc1c(N)cccc1NC(O)/C=C/c1cnccc1-c1cn[nH]c1"]
["117023905","CC(C)Cc1ncc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)s1"]
["164721697","N=C1C=C(N)C2=C=C1N=C1N=C(Nc3[c+]c(c(N)cc3=N)=NC3=C(N)C=C(N)C(=N2)N3)C(N)=CC1=N"]
["164569064","NC1=C=C(N)/C2=N/c3[c+]/c([c+](N)cc3N)=N\\c3cc(c(N)cc3N)/N=C3\\[C+]=C(/N=C/1C2)[C-](N)C=C3N"]
["180507957","CC1=CC(=C2N=C(c3cc(C)c(OCC(O)CN)c(C)c3)C=IO2)C=C(CC(C)C)[N-]1"]
["179990869","CB1C(C)C2C(C)C3=C(C12)[C@H]3C"]
["97182468","C[C@@H]1C(=O)[C@H]1C"]
["57975909","C=C1NN=C(C)C1C"]
["150092967","C=C1C(C)C(C)C(C)C(C)C(C)C1C"]
["78256870","CC1/C(=C\\CC#N)C2C=CC1C2"]
["176575284","CC.CC1=C(C)[C@@H](C)[C@@H](C)[B]1"]
["173036075","CC1CCC(C)C2=C1C(C)C1=C(C(C)CCC1C)C2C"]
["42303077","CC1CCC(CNC(C)(C)C)(CN2CC3CCC2C3)CC1"]
["168766924","CC1CC(=S)CC1=S"]
["76675097","CC1=C(C)C(C)C(C)C(C)=C(C)C(C)C1C"]
["97177603","CC1=C(C)B(I)C(C)B1I"]
["193014584","CC1C(=O)[C@@H]1[N+](C)(C)C"]
["45023244","F[Te](F)(O[Te](F)(F)(F)(F)F)O[Te](F)(F)(F)(F)F"]
["196499919","CC(C)(C)[Te](C)(F)(F)(F)F"]
["97741886","F[Te](F)(F)(F)(F)OC(Br)=[O+][Te](F)(F)(F)(F)F"]
["97696358","F[Te](F)(F)(F)(F)Br"]
["167442490","C[Te](C)(C)(C)(F)F"]
["55485413","O[Te](O)(O)(O)(F)F"]
["78157089","OOO[Si](OOO)(OOO)OOO"]
["176696335","O=[Te](=O)(OF)OCl.[Bi]"]
["65580397","O=S(=O)(F)ON(F)F"]
["167344849","C[Te](C)(C)F"]
["42444350","F[Te](F)(F)(F)(F)O[Te](F)(F)(F)(F)O[Te](F)(F)(F)(F)F"]
["52421656","O=P(F)(F)O[Te](F)(F)(F)(F)F"]
["46364699","C1#CSC[N]1"]
["62712371","C[Si-](C)(C)=C1N=CC(I)=C=C1F.[Li+]"]
["74533148","[C]1=NCCS#CC1"]
["26568992","C1[N]S1"]
["161809598","C1=C=NCCN=C=1"]
["79716457","[C]1=[As]CC=[As]1"]
["164727472","FC1=C=C2N=S=NC2=C=C1F"]
["191299436","C1=NCCS1.[Cl-]"]
["26555789","CC1(C)CS[C]=N1"]
["74672981","CC1=N[N]CS1"]
["25461602","C1#C[N]CC1"]
["198183423","CC(C)(C)c1nc2c(s1)C(C)(O)COC2"]
["172535656","[CH+]=c1ccc(=Cc2ccc(C=c3ccc(=CC(=N)C=[CH-])[nH]3)[n-]2)[n-]1.[Co].[c-]1ccccc1"]
["178331508","[CH2-]CC(C)C.[Zn+2].[c-]1ccccc1"]
["99469510","NC(c1ccccc1)C([N-]S(=O)(=O)C(F)(F)F)c1ccccc1.[Ru+2].[c-]1ccccc1"]
["154074625","CC(C)NC(=N)c1ccc2nc(C3[C@H](c4ccccc4Cl)C(c4nc5ccc(C(=N)NC(C)C)cc5[nH]4)[C@@H]3c3ccccc3Cl)[nH]c2c1"]
["106932463","O=C(O)CCC(=O)[C@H]1NCCc2c1ccc(Cl)c2F"]
["64773356","N=C(O)c1cccc(-n2ccnn2)c1-n1ccnn1"]
["107856769","C=C(c1ccccc1)[C@H]1NCCc2c(Cl)cccc21"]
["100821552","C[C@H](c1cc(Cl)ccc1F)N(C(=O)c1ccccc1)[C@@H](C(=N)O)c1ccccc1"]
["175857543","CC.[No].[c-]1ccccc1"]
["196350900","N=c1[nH]c2ccc(C(=O)[13c]3[13cH][13cH][13cH][13cH][13cH]3)cc2[nH]1"]
["54371217","CCC(CC)C(NC(=O)c1n[nH]c(=N)[nH]1)c1ccccc1"]
["74787403","N=C(O)c1cc2ccc[c]c2[nH]1"]
["91537867","c1pcsp1"]
["98559784","c1cc(C2CCC2c2ccpcc2)ccp1"]
["91266719","C1=CPP=[P+]=1"]
["79649871","[Li+].[c]1ccns1"]
["154645636","Cc1npcs1"]
["191339213","C1=C[SH+]SC1.N.c1ccccc1"]
["94226765","O=C1CSCC(=O)N1c1ccc(F)cc1I"]
["199345204","c1cn2cpcc2s1"]
["175725109","c1pss1"]
["97261193","c1c[s+]ps1"]
["96970825","Cp1cpcp1"]
["58411061","c1n[pH]cp1"]
["172197013","FS(F)(F)(F)(F)c1ccc(-[s+]2ccc3ccccc32)cc1"]
["183139843","[N-]=[N+]=Nc1cnc(Oc2ccc(S(F)(F)(F)(F)F)cc2)cc1C(F)(F)F"]
["140807386","CC(O)CC(C)(C)CN=C(O)Nc1ccc(S(F)(F)(F)(F)F)cc1"]
["25737551","CCCCCCCCC12CCC(c3ccc(S(F)(F)(F)(F)F)cc3)(CC1)CC2"]
["50914467","Nc1ccc2ccccc2c1O.O=S(=O)(O)O.O=S(=O)(O)O"]
["130074966","O=S(=O)(Nc1ncccc1F)c1ccc(S(F)(F)(F)(F)F)cc1"]
["188105177","CN1CC(C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(O)=NC2CCOCC2)c2cccnc2)N(C#N)CC1=O"]
["162196934","NC(CF)c1cc2ccccc2nc1Cl"]
["44838596","Cc1oc(-c2cccc3ccccc23)nc1C(=O)O"]
["155264445","FS(F)(F)(F)(F)c1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1"]
["156086772","COc1cccc([C@H](C)Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1"]
["168435181","N=[N+]=c1sccn1-c1cc2ccccc2[nH]1"]
["101055185","O[As](C[AsH+](O)O)C[AsH+](O)O"]
["79527004","N=C([O])CCC(=N)[O]"]
["175206821","CCCCCCCCCCCCCCCC[As](O)CCCCCCCCCCCCCCCC.O"]
["177087848","[C-]#[N+]C(CO)CN(C)C"]
["161702981","O[As](O)C[As](O)O"]
["43953651","CCO.[Ti]"]
["110880273","O[As](O)C[As](O)C[As](O)O"]
["83467673","CN(C)CC1C(O)=NC(S)=[NH+]C1O"]
["156848619","CC[C@H](C)[C@H](C)N1CCCN=C1O"]
["27042187","CCC(=O)N(C(=N)O)C(=O)CC"]
["79196561","CCO.CNI.[Ti]"]
["79486391","CCO[As](O)O"]
["179232201","CCCN1C(=O)[NH+](CCC)C(S)=C1SPSc1c(S)n(CCC)c(=O)n1CCC"]
["29805507","CCCn1c(=O)c2c(nc(Cc3ccnnc3)n2CCN(CC)CCO)n(CCc2cccc(N=C(C)O)c2)c1=O"]
["8816694","CCCn1c(=O)c2ccccc2n(CC(O)=Nc2ccc(F)cc2F)c1=O"]
["193163922","CCCn1c(N)cc(=O)n(CC)c1=O.O"]
["128724182","CCCn1c(=O)n(CCC(O)=NNc2cccc(F)c2)c2ccccc21"]
["103963370","CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C"]
["126436312","CCCn1c(=O)n(CCC(=O)N=c2cc[nH]c(C)c2)c2ccccc21"]
["113324654","C#CCSCCn1c(S)nc2cc(F)c(C)cc21"]
["86094253","CCCn1ccn(CCSc2ccccc2)c1=O"]
["189285381","CCCN1C(=O)CC(SC[C@@H](N)C(O)=NCC(C)=O)C1=O"]
["29705","CCCn1c(=O)c2nc(N(CCCl)CCCl)[nH]c2n(CCC)c1=O"]
["104436566","CCCn1c(=O)c2nc([C@@H]3CC[C@@H](F)C3)[nH]c2n(CCC)c1=O"]
["179302149","CCN(CC)[SiH2]N([SiH2]N(C)C)[SiH2]N(CC)CCCN(C)[Si](C)(C)N([SiH](C)N(C)C)[SiH](C)N(C)CCN(C)[SiH](C)N([SiH2]N(C)C)[Si](C)(C)N(C)C"]
["114094836","CCc1cc2c(N(C)CCCCCO)nc(Cl)nc2s1"]
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["111356208","CCN(CCCN(C)C)c1ccc(F)cc1C(=O)O"]
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["140174619","CN=C(O)Nc1cccc(N=C(O)CCC2CCNCC2)c1.Cl"]
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["9507774","CN=C(O)Nc1cc(C(F)(F)F)ccc1Cl"]
["125948862","Cc1ccccc1N=C(O)Nc1c(C)n[nH]c1C"]
["195654852","C[SiH2][SiH](C)[SiH](C)[SiH](C)[SiH](C[SiH](C)C[SiH](C)C)[SiH](C)[SiH](C)C"]
["145530280","C[SiH2]CC[SiH](C)N1CCCCC1"]
["78484084","C[SiH](C)CC12CC3C4CC5(C[SiH](C)C)CC(C(C1)C3(C[SiH](C)C)C5)C4(C[SiH](C)C)C2"]
["190560401","C[SiH](C)C[SiH](C)C.C[Si](C)(C)C[Si](C)(C)[Si](C)(C)C[Si](C)(C)[Si](C)(C)C[Si](C)(C)C"]
["173198850","[CH]C[SiH](C)C.[Zr]"]
["78573307","CC[SiH](C)C[SiH](C)COC"]
["98800068","C[SiH](CC[SiH3])CCCO"]
["63244843","C[SiH](C)CCO"]
["176085461","CCC[SiH](C)CCCS"]
["26666663","CCC[SiH](CCC)[SiH](C)C"]
["79420776","CCCCCC[SiH](C)CCC"]
["163907840","C[SiH](O)CC[SiH](C)CCCC(=O)Cl"]
["145540141","N=NN=P(N=N)=NN=N"]
["145540139","N=NP(=NN)=NN"]
["79596809","N=NC(=N)[N]O"]
["51636534","N=N/N=N/OO"]
["47188390","N=NN=N[N-]N=N"]
["195518013","N=NC1NCC1=N"]
["65125507","N=NP(N)NN"]
["171377340","N=N[NH-].N=N[NH-].[Sr+2]"]
["194320889","C.C.N#CN=NN=N"]
["163421194","CCCC[N+](CCCC)(CCCC)CCCC.N=N[NH-]"]
["148715374","CCC.N=NO.N=NO"]
["171375236","CCCCC[N+](CCCCC)(CCCCC)CCCCC.N=N[NH-]"]
["45242046","FC(F)(F)C1(C(F)(F)F)SC(=NP(N=C2SC(C(F)(F)F)(C(F)(F)F)SC2(C(F)(F)F)C(F)(F)F)N=C2SC(C(F)(F)F)(C(F)(F)F)SC2(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)S1"]
["91267133","O=C=NCCC1SC(C(F)(F)F)(C(F)(F)F)OC1=O"]
["150224076","FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC=NS1"]
["51806772","OC1=CCC(Cl)(C(F)(F)F)C=C1"]
["5139722","COc1cc(O)ccc1OCC[NH3+]"]
["27397774","C[C@H](N=C1N=C(O)C(C)(C(F)(F)F)S1)c1ccccc1C(C)(C)C"]
["182833437","COC1=CC=CNC1(N=[N+]=[N-])C(F)(F)F"]
["144910373","O=C(O)C(O)c1c(O)c(O)cc(Cl)c1F"]
["167202825","CN(C)C1=NC(C(F)(F)F)(C(F)(F)F)SC1=NSC(C(F)(F)F)C(F)(F)F"]
["26450191","FC(F)(F)[C]1N=C=CS1"]
["181553128","NC1=C(F)C(Oc2cc(F)c(C(F)(F)F)cc2F)C(F)(C(F)(F)F)C(F)=C1"]
["54424535","C[C@H](N=C1N=C(O)C(C(F)(F)F)(C(C)(F)C(F)(F)F)S1)c1ccc(F)cc1"]
["171915446","[O-]N([O-])/C=C/C1=CC=C[C+]=C1.[Y]"]
["73801261","O=CC=CC1=CC=C=C[CH]1"]
["56244620","C1=C(/C=C/C2=C/C=C\\C=C\\C=C/2)/C=C\\C=C\\C=C/1"]
["176402108","O=CC1=CC=C=C(Cl)[N-]1.[Re]"]
["71769608","C/C(=C\\C1=CC=C[CH]1)CO"]
["195852837","CN([O-])/C=C/c1ccccc1"]
["98365740","O=CC1=CC=COC=C1"]
["67748312","CC=C(C)C1=CC2(Cl)C(Cl)C(Cl)C1(Cl)C2(OC)OC"]
["190493521","NS(=O)(=O)c1cc(C(=O)Cl)ccc1Cl.NS(=O)(=O)c1cc(C(=O)c2ccc(C3CC3)cc2)ccc1Cl.[C+]1=CC(C2CC2)=CC=C1"]
["196531566","C1=CCC(NC=[NH+]C2=CC=CC2)=C1"]
["163929224","[O-]C([O-])(c1ccc(Cl)cc1)C(Cl)(Cl)Cl"]
["101314186","C=CC(C)=C1C=CC=C(N([O])[O-])C1=[O+]C(F)(F)F"]
["161837631","N#COS[Se][Te]OC#N"]
["154909641","CCSC/C(CS)=N/OI"]
["191522481","CCC.CCOC#N"]
["171668797","CCCCP(C)(CCCC)(CCCC)OC#N"]
["78671750","CC[Si](C)(C)O[Si](C)(C)COC#N"]
["95774951","CCC(C#N)NCCC(C)SC"]
["113321810","C=CCSCCNc1cccc(Br)c1C#N"]
["79386011","N#COC#N.[Fe]"]
["79862614","BOC#N"]
["161739176","N#COO[Si-]=[O+]C#N"]
["97504692","N#C/C(N)=C(/C#N)N=CNN"]
["185580606","C[Si](OC#N)(OC#N)SC#N"]
["170691219","O=[O+]OC=C[O-]"]
["196526214","C=COP(=O)(O)O/C=C\\[O-]"]
["60150569","CC=COS(=O)[O-]"]
["78104338","O=S(=O)(O)OO.O=[O+][O-]"]
["79738017","O=C(O)O.O=[O+][O-]"]
["191030833","O=P([O-])([O-])OOP(=O)([O-])[O-].[Ba+2].[Ba+2]"]
["181386646","NC/C=C/OP([O-])[O-]"]
["192688214","O=[O+][O-].[Fe]"]
["173215310","CC(=O)ON=C(O)OC(O)=NOC=O"]
["24124957","[Na+].[O]S(=O)OC1([O-])CCCC1"]
["79864949","O=[O+]OO.[Ca+2]"]
["79115302","C=CC(F)O[PH](=O)[O-].[Na+]"]
["172430893","C[OH+]c1ccc(-p2ccc(=S)p(-c3ccc([OH+]C)cc3)c2=S)cc1"]
["91032345","Cc1cp(-c2ccccc2)c(P(=S)(c2ccccc2)c2ccccc2)c1C"]
["20912180","C[OH+]c1ccc([N-]S(=O)(=O)c2cccc(C(=[OH+])[N-]c3cccc(C)[nH+]3)c2)cc1.[H+]"]
["18767599","C[OH+]c1ccc([OH+]CC[N-]C(=[OH+])c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1.[H+]"]
["21019115","C[OH+]c1ccc([N-]S(=O)(=O)c2cccc(C(=[OH+])[N-]c3ccccc3F)c2)cc1.[H+].[H+]"]
["178560275","C[OH+]c1cc(C)c(SC)c(C)c1"]
["74685382","C[OH+]c1ccc2c(c1)C1C(C=CC(C)C1[CH][O-])CO2"]
["49719426","C[OH+]c1ccc(S(=O)(=O)[N-]c2ccc([NH+]3CC[OH+]CC3)cc2)cc1"]
["58943113","Cc1ccccc1-n1cccc(C(N)=O)c1=S"]
["22480024","C[OH+]c1ccc([C@H]2[N@@]3CC(C)(C)C[N@@]23)cc1"]
["179717994","COc1ccccc1C=N/N=C\\c1ccccc1[OH+]C"]
["22240644","CC[OH+]C(=[OH+])c1cc(S(=O)(=O)[N-]c2ccc([OH+]C)cc2)n[n-]1.[H+]"]
["178600611","CC1=C(C)C(C)(C)C(C)(C)C(C)=C1CCC1(C)C(C)(C)C(C)=C(CCC2(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C2(C)C)C(C)(C)C1(C)C"]
["176645360","CCC1=C(C)C(C)(C)C2(CCCC2)C1(C)C"]
["174421602","CC1=C(C)C(C)(C)C2(C)C(=C1C)N(C)N(C)N2C"]
["96911136","CC1=C(C)C(C)(CN[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(C)=C1C"]
["44389388","C[C]1C(C)=C(C)C(=[Si](C)C)C1(C)NC(C)(C)C"]
["79481782","CC1=[C]C(C)(C)C(C)=C1C.CC1=[C]CC(CCP(C(C)C)C(C)C)=C1CP(C(C)C)C(C)C.[Ru]"]
["149738361","CC1=C(C)C2(CCCC2)C(C)(C)C1(C)C"]
["58622949","CC1(C)c2ccccc2C(C)(C)C(C)(C)C(C)(C)C1(C)C"]
["175211768","CCCCC1=C(C)C(CC)=C(CC)C(CC)([N+](C)(C)CC)C1CC"]
["79177621","CCCC1=[C]C(C)(C)C(C)=C1C.CCCC1=[C]C(C)(C)C(C)=C1C.[Sr]"]
["26386862","CC1=C(C)C2(C)C(C)(C)C1(C)C(C)(C)C2(C)CC(=O)O"]
["79022977","CCCC1=C(C2=[C]CC=C2C2=C(CCC)C(C)=C(C)C2(C)C)C(C)(C)C(C)=C1C.[Zr]"]
["91462757","[B]1CB2CB3C[B]C123"]
["176403304","CN1CC2([B]CC2)C1"]
["96768896","CC(C)(C)C12C[C-](C1)C2"]
["199457731","CC.CC(C)(C)C12CCC(C(C)(C)C)(CC1)CC2"]
["91562383","C1=CB2CCB1C2"]
["172052949","CC(C)(C)C12CC([NH])(C1)C2"]
["197384612","COC(OC)C1(CN)CCCCC1"]
["174027357","CC(C)C1(C(C)C)C[B]CC1"]
["174087779","[B]C1([B])CCC([B])(C)N1C(C)(C)C"]
["97027304","ClC12C=CC(Cl)(C1)C2"]
["178195897","[B]1CCCC12CC21CC1"]
["49342263","CC(C)(C)C12C[C-](C1)C2.[Li+]"]
["168444093","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)C(C/C=C/C1B=BB=BB=BB=BB=BC1)C(=O)O"]
["44568958","CCCC1CCCN(C(=O)N(CC(=O)O)C(C)C)CC1"]
["82789347","NC(CCC1CCCCC1)C(=O)O.O=C(O)CCN(CCc1ccccc1)CC(=O)O"]
["45435181","CC(C)(C)OC(=O)CN(CCN(CCN(CC(=O)OC(C)(C)C)C(CCCCN=C(O)OCc1ccccc1)C(=O)OC(C)(C)C)CC(=O)O)CC(=O)OC(C)(C)C"]
["58585643","CCOC(=O)CN(CCN(CCN(CC(=O)OCC)CC(=O)OCC)C(CC=Cc1cccc(C(C)C(=O)O)c1)C(=O)OCC)CC(=O)OCC"]
["26705786","CN=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O"]
["171415235","O=C(O)[C@H](Cc1cccc(O)c1)OC1CCCCC1"]
["161968178","CCCN(CCN(CC(=O)O)C(C)CN(CCNCC(=O)O)CC(=O)O)CC(=O)O"]
["111926690","CC(C)C1CC(N(CC(=O)O)CC(F)(F)F)C1"]
["148385444","CN(CC(=O)O)CC1CN(C(O)=NCCOC2CCCCCC2)CCO1"]
["106903408","C=CCC[C@H]1C=C[C@@H](CC(=O)O)C1"]
["171331305","CC(C)CC(=CC(=O)C=C(CC(C)C)C1CCCCC1)C1CCCCC1"]
["180586776","C[C+](C)C(C)(O[B-]#[B-]OC(C)(C)[C-](C)C)P1CC1.[U].[U]"]
["10286217","CC(C)(C)[P@]1COC[C@@H]1[C@H]1COC[P@@]1C(C)(C)C"]
["101187207","CC(C)(C)P1CCP(C(C)(C)C)C1"]
["175189954","C=C(C)C(=O)OC(C)(C)C(CC(C)C)CC(C)C"]
["151902465","CC(C)(C)c1ccc(OC2=CN=NC2)cc1"]
["167352113","CC(C)(C)OC(=O)C(F)=CC1CCCCC1"]
["173680820","C[C-](C)C(C)(C)O[B]c1cnn(C)c1.[U]"]
["181613588","CC(C)(C)C1COB(N=[N+]=[N-])O1"]
["184412559","COCCC[B]OC(C)(C)[C-](C)C.[U]"]
["147854014","CC(C)(C)P1CCOc2cccc(c2)OCCP(C(C)(C)C)CCP(C(C)(C)C)CCOc2cccc(c2)OCCP(C(C)(C)C)CC1"]
["178571010","C[C-](C)C(C)(C)OB=BOC(C)(C)C(C)([OH2+])C(C)C.[U]"]
["83123816","CC(C)(C)P1CCOCCOCCOCCOCCP(C(C)(C)C)CC1.[B].[B]"]
["99528385","[Se]=C([Se-])N=C1C=C[S+]=N1.[Se]=C([Se-])N=C1N=CC=[S+]1"]
["45496652","Cc1cnc(SC2=CN/C(=C(/N)N=O)C=N2)nc1"]
["148956907","N/C(N=O)=C1/C=CC=C(C(F)(F)F)N1"]
["81937592","NC(N=O)=C1N=CC=CC1CNCCC1=CCCCC1"]
["174663197","OC=NC1=CCC=C(F)C=N1"]
["93921390","NC(=NO)c1nccnc1Sc1ncns1"]
["174706551","[B+]=C1C=CC([C@H](C)N=C(O)C(O)C[O-])C=C1"]
["162951383","ON=C(O)CN=C(O)c1cscn1"]
["91543204","CCCC(O)=NNC=C1N=CC=CC1=O"]
["162304504","CSC1=NC=CC(=C(N)N=O)N1"]
["145715485","N/C=C/N=C1C=CN=C1"]
["185002409","O=S(=O)(N=C1N=CC=[S+]1)Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12"]
["78396849","[2H]C([2H])=P([2H])([O])[PH]([3H])=O"]
["78339423","[2H][C]([2H])C([2H])[2H]"]
["102971483","[2H]C=C=[N]"]
["25918292","[2H]C([2H])=C([2H])C([2H])=C([2H])[2H]"]
["79703591","C.CC.O=[PH2]O"]
["173346387","[2H]C=C([2H])C(=O)O"]
["79038973","[2H]/C=C/C"]
["78476333","[2H]/C=C/OB[3H]"]
["26259046","[CH2]O[PH2]=O"]
["44825324","[2H]P([2H])(=O)O"]
["79866520","[2H]/C=C(\\[2H])C(=O)O"]
["79561806","CO.O=[PH2]O"]
["177684711","C=C/C(O)=C(I)\\C(O)=C(/C=C)c1nc(/C(C=C)=C(S)/C(I)=C(/O)C=C)nc(/C(C=C)=C(S)/C(I)=C(\\C=C)OO)n1"]
["26587532","C=CC(O)=Nc1ccc(F)cc1F"]
["186406626","C=CC(O)=NCc1nc2nc(C)cc(=O)n2[nH]1"]
["177684848","C=C/C(=C(S)\\C=C(/C)O)c1nc(/C(C=C)=C(S)/C=C(/O)C=C)nc(/C(C=C)=C(S)/C=C(/O)C=C)n1"]
["MCULE-6359516126","COc1ccc(OC)c(N=C(O)C=Cc2cc3ccc(F)cc3nc2O)c1"]
["190775493","C=CC(N)(CC)C(O)=Nc1cc(OCC)cc2cccnc12"]
["169335937","C=CC(O)=NCc1noc(COc2ccccc2)n1"]
["163715321","C=CC(=C)c1ccc([Si](C)(C)c2ccccc2)cn1"]
["91431506","C=CC(OCOC)=C(OC)O[Si](C)(C)C"]
["169708066","C=CC(O)=NC1(Cc2cc(F)ccc2OC)CC1"]
["184402654","C=C/C(=C\\C(O)=C(/C)c1nc(-c2ccc(C)cc2C)nc(-c2ccc(C)cc2C)n1)OCC(O)COCCCCCCCCCCCCC"]
["164202372","C=CC(O)=Nc1cnc(C)nc1C1CC1"]
["173911734","B#[B-]C1CCCC([B]S)C([B+]S)CCC1"]
["94189832","CCOC(CC)C(NN)C1CCC1"]
["183124154","[NH-]C1CCC1.[Ti]"]
["169851924","IN1CC2CCCC1C2"]
["63625286","CN(C)C1CCCN(c2ccc(C(N)=NO)cc2)C1"]
["178782014","NC1C=C(S)[C@@H](O)C2CCCCC12"]
["112595415","Cc1nnc(S)n1C1CCCC(C)CC1"]
["149949705","CC1CCCC1[B]C1CCCC1C"]
["173993412","[B]C1CCCC(C)/C=C(\\C)C1"]
["59205092","C#CC(C)(C)NC1CCC(C)C1"]
["47262246","Cc1nnc(S)n1C1CCCC(C)C1"]
["167172618","C[C@@H]1CCCC[C@H]1[B][C@H]1CCCC[C@@H]1C"]
["101021158","CC(C)[Ge](C(C)C)=[Ge-](C(C)C)(C(C)C)[Ge](C(C)C)(C(C)C)[Ge+](C(C)C)C(C)C"]
["63101844","CCOCCCOCC(C)C"]
["172390345","CC(C)[Ge](Cl)(Cl)N(C)C"]
["53729842","CC(C)[Ge](C(C)C)(C(C)C)N(C)C"]
["94034471","CCOC(C)CNCc1cn(C)nc1C"]
["171830428","COP(C(C)C)(C(C)C)(C(C)C)C(C)C"]
["175277354","CCOC(C)PC(C)OCC"]
["57212932","CC(C)[Ge](C(C)C)C(C)C.CC(C)[Ge](C(C)C)C(C)C"]
["25766423","CC(C)C([SiH2])C(C)C"]
["79557369","CC=[Ge](C(C)C)C(C)C"]
["114656920","CC(C)CCSCCCC(C)N"]
["68514112","CC(C)[Ge](Cl)(Cl)Cl"]
["171977448","CC1=[NH+]C(C)=C(C)[NH+](O)C1=O.[Fe]"]
["163216336","COC(=O)Cc1c(C)c(N)c(C)n1C"]
["81151827","CC1=C(C(O)=NCC(C)C)SC2=NC=NC(=O)C21"]
["196569640","C=C1CC(=O)N(OC(=O)CC#CC)C1=O"]
["61494447","CCC1CC(CC)C2C(O)=NC(=O)C12"]
["178936396","C=C(Cl)C1=C(C)C(=O)OC1=O"]
["147603101","CC(=O)C1=C2CCCCC2CC1"]
["162073408","N=C(O)C1C(=O)CC(O)=NC1=O"]
["76763948","CC1=NC(=O)N=C(C)C1=C(C)C"]
["50073286","Cc1c(Cl)c(=O)c(Cl)c(C)n1O"]
["195592338","C#CC(=O)ON(C)C(=O)CCCC(=O)ON1C(=O)C=CC1=O"]
["50216052","Cc1cc(C)cc(S(=O)c2cc(C)cc(C)c2)c1"]
["101008013","C[Si](C)(C)[Si]([P-]p1p2[p-]p3p1p3p2[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C"]
["97225557","C[Si](C)(C)[Si]([SiH]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C"]
["164463206","CC(C)(C)[Si](p1p2[p-]p3p1p3p2[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.[Li+]"]
["173674113","[B+]p1p2[p-]p12"]
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["47596360","COc1cc(OC)cc(-n2cnnc2SCC(=O)O)c1"]
["92156530","Cn1nccc1S(=O)(=O)N(CC(=O)O)CC1CC1"]
["110896672","CC(C)(C)[Si]([P-]p1[p-]p1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["89122518","CC(CC(=O)O)N=C(O)c1cnco1"]
["56578340","CC(C)(C)p1p2[p-]p3p1p3p2C(C)(C)C"]
["64258882","C[Si](C)(C)[Si](p1p2p([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)p3p1p3p2[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C"]
["175970971","C=C(C)/C=C(\\C(=C)Br)c1cnco1"]
["100856693","C[Si](C)(C)[C@@H]1[C@@H]([Si](C)(C)C)[BH-]2[BH-]3[C@@H]([Si](C)(C)C)[C@H]([Si](C)(C)C)[C@@H]([Si](C)(C)C)B[B-]32[C@H]1[Si](C)(C)C"]
["97118497","C[Si](C)(C)[C@@H]1BC2CCCC1CCC2"]
["181898143","C[Si](C)(C)C1C(N=[N+]=[N-])C1c1ccc(Cl)cc1"]
["97533287","C=C[C@H]1[C@@H](C(C)=O)[C@H]1[Si](C)(C)C"]
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["97204906","C[Si](C)(C)C[B-]12[C@H]([Si](C)(C)C)[C@@H]([Si](C)(C)C)[C@H]([Si](C)(C)C)[B-]13B1[C@H]([Si](C)(C)C)[C@@H]([Si](C)(C)C)[C@H]([Si](C)(C)C)[B-]123"]
["82348218","C[Si](C)(C)C1C2CCC2C(Br)C2CCC21"]
["45620009","C[Si](C)(C)C1BB(B2BC([Si](C)(C)C)C([Si](C)(C)C)C2[Si](C)(C)C)C([Si](C)(C)C)C1[Si](C)(C)C"]
["78676246","COC(=O)/C=C/C1C(C)C1[Si](C)(C)C"]
["161714236","C[Si](C)(C)C1C2C=CC1CC2"]
["167376999","C[Si](C)(C)C1C2SC3SC4C5SC(SC6SC7C8SC(SC9SC%10C%11SC(SC%12SC%13C(S2)C1SC%13C%12[Si](C)(C)C)C([Si](C)(C)C)C%11SC%10C9[Si](C)(C)C)C([Si](C)(C)C)C8SC7C6[Si](C)(C)C)C([Si](C)(C)C)C5SC4C3[Si](C)(C)C"]
["100979672","C[C+]=[C][B-]1([C@@H]([N+]#N)[Si](C)(C)C)C2CCCC(CCC2)[C@@H]1[Si](C)(C)C"]
["175301347","[B+]=C1C(=[B+])C(=C2C(=[B+])C(=[B+])C(=[B+])[C-](NCCNC[C@H]([O-])[C-]3[CH-]C[CH-][C-](Cl)[CH-]3)C2=[B+])C(=[B+])[C-](O)C1=[B+]"]
["195160288","[Ni].[O-]S(O)(NCCNC[C@@H](O)CCl)C1=CC=CC=[C+]1.[O]"]
["175218447","[B+]=C1CC(CC(N)=C([O-])[O-])C(=[B+])C(=[B+])[C-]1O"]
["172412380","CC(C)CNCCC(C)Oc1ncccc1C(=O)O"]
["175301315","[B+]C([B+])(NCCN[C-]1C(=[B+])C(=[B+])C(=[B+])C(c2c[cH-][cH-][cH-][cH-]2)C1=[B+])C([O-])c1cccc(Cl)c1"]
["49968412","CC(C)CCNC[C@H](CSc1ccccc1)C(=O)O"]
["111624574","O=C(O)C(CNCCC(=O)N1CCOCC1)C(F)(F)F"]
["65036208","CCCNCC(C)CN1C(=O)CCC1=O"]
["198562230","[B+]=C1C(=[B+])[C-](O)C(=[B+])C2=C1N[CH-]C2=CC1CCCN1C(C)CCCCCCC[C-]=CCCCCCCCC"]
["184306439","CC(O)CNCCC1=CC=C(Cl)CC1"]
["81784004","C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O.OCCNCCO"]
["173921822","[B+]=C1C(=[B+])C(=[B+])C(C(C2=C([O-])C(=[B+])C(=[B+])[C-](O)C2=[B+])[C@H]2CN(C(C)C)[C-]([O-])c3c(O)[c-]([O-])[cH-][n-]n32)C(=[B+])C1=[B+]"]
["174072200","CB(c1c([Si](C(C)C)(C(C)C)C(C)C)cc([Si](C(C)C)(C(C)C)C(C)C)cc1[Si](C(C)C)(C(C)C)C(C)C)c1c([Si](C(C)C)(C(C)C)C(C)C)cc2cc1[Si](C(C)C)(C(C)C)C(C)CC(C)[Si]2(C(C)C)C(C)C"]
["13470476","COc1cc(C)sc1C(O)=[NH+]C[C@H](C)N1CCC[C@H](C)C1"]
["78853223","Cc1cc(CS[C@H]2CCCCCC[C@@H]2SCc2cc(C)cc([Si](C(C)C)(C(C)C)C(C)C)c2O)c(O)c([Si](C(C)C)(C(C)C)C(C)C)c1"]
["17437958","C[C@H]1CCc2nc(N=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)sc2C1"]
["168501672","CC(C)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)[Si](S[Si]1SC12C1CC3CC(C1)CC2C3)=C1C2CC3CC(C2)CC1C3"]
["88810147","C[C@H](O)[C@@H](N)C(O)=NCc1ccc2cc[nH]c2c1"]
["81900928","COc1cc2[nH]c(C(C)C)c(Cc3cccc(C4=NNNN4)n3)c2cc1Cl"]
["184625852","Cc1nc(I)cc(N2C[C@H]3C[C@@H]2CO3)n1"]
["156467110","C[C@@H](C1CC1)n1nc(C(F)F)cc1S"]
["65784620","C[C@H]1C[C@H](C)CN([C@@H](C)C(=O)C(C#[NH+])=C2Nc3ccccc3N2)C1"]
["MCULE-5998493804","COc1cc(F)c(F)cc1-c1ccccc1OC(C)C(O)=NC12CC3CC(CC(C3)C1)C2"]
["54405744","CC1CCC(C(C)C)C(N)(Cc2ccccn2)C1"]
["74575654","C#CCN(c1cnc(C#N)cn1)[C@@H]1CCN(C2=C3C=CN=C3NC3CC3C2)C1"]
["171101695","CN(C)C1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)cc2)C1"]
["127221411","N#CCN=C(O)C1CCN(c2ccc(Cl)cn2)CC1"]
["150450410","N#Cc1cccc(C(=O)N2CC[C@@H]3CN(Cc4cccnc4)[C@@H]3C2)c1"]
["153449615","CN[C@@H]1CCN(c2ncnc3c2oc2ccc(C#N)cc23)C1"]
["82505209","CN1CCC(N2CCC(N(Cc3ccccc3Cl)c3ccc(C#N)c(Cl)c3)C2)CC1"]
["153323985","Cn1cnc(S(=O)(=O)N(Cc2ccc(F)cc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1"]
["164654177","Cc1cc(N2CCCC2c2nncn2CC(C)C)n2nc(C(F)(F)F)nc2n1"]
["184090184","CN1CCCN([C@@H]2CCCN(c3nccnc3C#N)C2)C1=O"]
["183560190","N#CC1=C(N2CCCC(O)C2)C=CNC1S(=O)(=O)O"]
["82943512","CC1CN(c2ccc(N=C(O)c3oc(N4CCC(C5=CCCC=C5)CC4)nc3C(F)(F)F)cn2)CCN1"]
["74226424","CCc1cnc(N2CCC(N(C(=O)c3cnc(-c4ccc(C#N)c(F)c4)nc3)C3CC3)CC2)nc1"]
["195521649","[2H]C([2H])([2H])C1=C=CC(c2c(C)c[cH-]c3c4c(C)cc([N+]#[C-])cc4[o+]c2-3)=[N+](C)C1C"]
["197735219","[C-]#[N+]C(C)(C)Cc1c[o+]c2c[n+](C)c3c(oc4cccc5[cH-]cc(C)c3c54)c12"]
["192483661","[C-]#[N+]c1cc(C)c(N=C(O)C[N+]2(CC)CCCC2)c(C)c1.[Y]"]
["197736559","[C-]#[N+]c1cc2c3c(c4c(C)c5c(c(C(C)(C)C)c4[o+]c3c1)C=C=CC5)N(C)C=N2"]
["195817718","[2H]C([2H])([2H])C1=C=CC(c2c(C)c[cH-]c3c4ccc([N+]#[C-])c(-c5ccc(C(C)C)cc5)c4[o+]c2-3)=[N+](C)C1C"]
["170684638","[C-]#[N+]c1ccc2c(c1)c1[cH-]cc(C)c3c-1[n+]2c1cc(C24CC5CC(CC(C5)C2)C4)cc2cc[n+](C)c3c21"]
["191626130","[C-]#[N+]c1cc(C)c([N-]C(=[OH+])C(C)[P+]2(CC)CCCCC2)c(C)c1.[Y]"]
["194603502","[C-]#[N+]c1ccc2c(c1-c1ccccc1)=[O+]c1cc(=C3C=CC(C(C)C)=CN3C)c(C)cc1=2"]
["198458124","[2H]C1(c2ccc(C)c(-c3cc(C(C)(C)C)cc[n+]3C)c2)CCCC1"]
["54293901","[C-]#[N+]c1cc(F)cc(-c2cc3c4c(ncn4C)c(=NC)[nH]c3n2CC(C#N)N2CCC(O)C2)c1"]
["197548354","[C-]#[N+]C(C)c1ccc2c(c1)ncn2C"]
["195942699","[C-]#[N+]c1ccc2c(c1)oc1c(C3[C+]=C(C)C=C(C)N3C)c(C)cc(C)c12"]
["175679447","C=[O+]c1cc(=C2C=[N+]([CH2-])C(=O)c3cnccc32)cc([O+]=C)c1=C=[N+]1C#CC2(C#C1)[C-][N+](c1ccc3c(c1)C(=O)N(C1=C=C=C=C([O-])N=C1[O-])C3=O)=[C-]2"]
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["MCULE-1653775235","CCCCC(N=C(O)c1ccc2c(c1)C(=O)N(C(CC(C)C)C(=O)O)C2=O)C(O)=NCC(c1cccnc1)S(=O)(=O)c1ccc(C)cc1"]
["MCULE-7360310147","COC(=O)c1ccc(Cl)c(N=C(O)CCN2C(=O)c3ccncc3C2=O)c1"]
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["MCULE-7376636933","O=C1c2ccc(C(O)=NC(Cc3ccccc3)C(O)=NCC(c3cccnc3)S(=O)(=O)c3ccc(Cl)cc3)cc2C(=O)N1CCc1ccccc1"]
["163436083","O=C(CC1(O)CCC1)N1CCC2(CC1)CCN(c1cccnc1)C2=O"]
["CSSS20621730751","O=C1N=C(O)CCC1N1Cc2ccc(N=C(O)c3c(C(F)F)[nH]c4cnccc34)cc2C1=O"]
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["MCULE-9507071204","CCc1cccc(CC)c1N1C(=O)c2ccc(C(O)=NC(CO)C(O)=NCC(c3cccnc3)S(=O)(=O)c3ccccc3)cc2C1=O"]
["MCULE-7053749394","COc1cc(F)ccc1-c1cnccc1C(=O)N1CCc2cccnc21"]
["61510967","C1=NC=NC2=CN=C[N+]12c1n[nH]cc1-c1cncnc1"]
["MCULE-3955210556","O=[N+]([O-])c1ccc(-c2cncnc2)c(N=C(O)CSc2ncccn2)c1"]
["MCULE-1708552254","Cc1oncc1C(O)=Nc1ncc(C(F)(F)F)cc1-c1cncnc1"]
["111835149","O=C(COCC(F)(F)C(F)F)c1cncnc1"]
["MCULE-1620265633","Cc1n[nH]cc1-c1cnc(N=C(O)C2CC(=O)C2)nc1"]
["MCULE-5031263095","COc1ccc(N=C(O)Cc2ccccc2F)cc1-c1cncnc1"]
["MCULE-7694637249","OC(=Nc1cnccn1)c1ccc(F)cc1-c1cncnc1"]
["88188687","c1ncc(-c2nnc(C3CCCNC3)o2)cn1"]
["162120387","O=C(O)c1cc(-c2cncnc2)cs1"]
["130654866","O=C(OC1(Cc2ccccc2)CC1)c1ccc(-c2cncnc2)cc1F"]
["181600283","N#Cc1cc(S(=O)(=O)N=[N+]=[N-])ccc1Oc1cnc(Cl)cc1-c1cncnc1"]
["197857508","COCCCNC(C)c1ccc(-c2cncnc2)cc1"]
["60684781","C1=C(CC[c-]2ccc3c2CCCC3)[CH+]C2=C1CCCC2"]
["61590804","CCCNC(C)CC(C)Oc1ccc2c(c1)CCC2"]
["112365192","NC1(CCc2cc3c(cc2O)CCC3)CC1"]
["155724294","C[C@]1(c2cccc(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3"]
["58778790","N#Cc1cc2c(cc1S)CCCC2"]
["196852115","C=C1CCCCc2cccc(C)c21"]
["55422187","OCC#Cc1ccccc1CSc1ccc2c(c1)CCC2"]
["86058472","CC(C(O)=NCCC1=CCCCC1)C(N)c1ccccc1"]
["58801887","OC1(Cc2ccc3c(c2)CCC3)CCCC(C(F)(F)F)C1"]
["61978866","NCCCCCc1ccc2c(c1)CCC2"]
["15575452","O[C@]1(c2ccccc2)c2ccccc2[C@](O)(c2ccccc2)c2c1ccc1c2CCCC1"]
["15454183","CC[C@H](Oc1ccc2c(c1)CCC2)C(O)=NCCOC"]
["97743082","[2H]C(C)CC([2H])C[14C@@]12C[14CH2]C[14CH](C[14C](=O)C1)N2"]
["174939219","CCCCCCC.CCN1CCCS1(=O)=O.O=S1(=O)CCCCN1"]
["199267004","CCc1ccc(CC(O)=NCC2CCC(C(O)=NCCCNC)CC2)cc1"]
["95390356","C=CCCCC(=O)C1(CC)CCCNC1"]
["170263252","C=C1CC(CCCC)C(C)(CC)N1"]
["63070918","CCCC[N+]1(CCCC)CCCNS(=O)(=O)C1"]
["63532984","C=C1CC(C(=O)OCC)=C(C)NN1"]
["63835975","C=C(C)C(=O)OC(CCCC)OC(=O)c1ccccc1"]
["57429177","CCCCC1CCC(C(=O)c2[nH]c(C)c(C)c2C)CC1"]
["89449231","CCCCn1cc(CCCO)c2ccc(C(=O)O)cc21"]
["164171352","CCCCC[B-](CCCCC)(CCCCC)CCCCC.F"]
["182243641","[2H]C(CC)CC([2H])CC=C"]
["172727864","OCC(O)=NC1=C(I)C(C(O)=NCC(O)CO)C(I)(C(O)=NCC(O)CO)C=C1I"]
["45301692","OC(=NCC1CCCC(CN=C(O)Nc2ccccc2Cl)C1)Nc1ccccc1Cl"]
["134900306","Cc1cccc(OCC(O)CN=C(O)c2cc(Cl)ccc2OC(F)F)c1"]
["119604873","OC(CN=C(O)c1c(F)cccc1Cl)=Nc1ccccc1Cl"]
["55216466","C[C@@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(N=C(O)C3CCCCC3)ccc2O1"]
["66093140","Cc1ccc(N=C(O)COC(=O)CN=C(O)C23CC4CC(CC(C4)C2)C3)cc1Cl"]
["136733323","Cc1ccccc1-n1cc(C(O)=NC[C@H](C)O)cn1"]
["125243823","CCCC(O)CN=C(O)C1CC1c1ccc(F)c(F)c1"]
["92472105","OCC(O)CN1CCC(N2CCCCC2)CC1"]
["94016836","CCC(O)CN=C(O)c1ccc(O)cc1O"]
["105894275","Cc1cccc(C)c1OCCN=C(O)CO"]
["169356868","O=C(O)c1ccccc1N(CC(O)CO)C(=O)CCl"]
["66986832","C(=C(C1C=CC=C1)C1C=CC=C1)=C(C1C=CC=C1)C(C#CC1C=CC=C1)(C1C=CC=C1)C1C=CC=C1"]
["178012215","CC(=NN=C(O)c1ccccc1)C1C=CC=C1"]
["97176266","C/C=C(\\C1C=CC=C1)[Si](C)(C)C1C=CC=C1"]
["99796916","CCCC(C(=N)O)(C1=CCC=C1)C1C=CC=C1"]
["164535355","S=C(c1ccc(-c2ccc(-c3ccc(C(=S)C4C=CC=C4)s3)cc2)s1)C1C=CC=C1"]
["96743572","OC(=NC1C=CC=C1)C1C=CC=C1"]
["173881421","C=COC(OC)(C1C=CC=C1)C1C=CC=C1"]
["99539377","CC/C=C/C(=O)C1C=CC=C1"]
["161924409","C=C(Cl)C1C=CC=C1"]
["101123314","CN(C)c1ccc(C#CC(=C(C#N)C#N)C(=C(C#N)C#N)C2C=CC=C2)cc1"]
["170574655","CC(C)(C)c1ccc(C(=O)C2C=CC=C2)cc1"]
["99545312","Ic1cc(C#Cc2ccccc2)ccc1C#CC1C=CC=C1"]
["173475769","OC1=CCC=C(C2=CC3=C(OC2)C(O)=C(O)C(O)=CC3)C=C1O"]
["75186283","ON=C1C2=CCOC2=CC2=C1OCCC2"]
["51604033","C=CCC1=CC(=O)CC=C1O"]
["26352015","OC1=Nc2cccnc2CO1"]
["174358528","OC1=CCC=C(c2ccccc2)C=C1"]
["108080343","C[C@H](C(O)=NC(C)(C)C)[S@](=O)Cc1cc(F)cc2c1OCOC2"]
["96916814","CCOC(=O)/C=C1/C=C(c2ccc(OC)cc2)C=C(c2ccc(OC)cc2)CC1"]
["81920091","Cc1c(-c2ccc(Cl)cc2)[nH]c2c1C(O)=COC2"]
["153848648","OC1=C(Cl)C2=NN=CC2=CC1"]
["174657319","O=C(Nc1ccccc1C(=O)O)c1ccc(C2=CCC=C3OCCC3=C2)s1"]
["95495086","COc1ccc2cccc(CC(O)C3=CCCO3)c2c1"]
["120365232","Cc1cc(Br)ccc1C(O)c1ccnn1C(C)C"]
["174136645","Cc1cc2c3c(c1)N1c4ccccc4[Si](C)(C)c4cccc(c41)B3N(c1cccc(Cc3cc4c5c(c3)N3c6ccccc6Sc6cccc(c63)B5N(c3ccccc3C)c3cc5c(cc3-4)Oc3ccccc3O5)c1)c1cc3c(cc1-2)Oc1ccccc1O3"]
["182518279","[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2c1ccccc1"]
["174125605","Cc1cc(C)c(-c2cc3c4c(c2)N(c2cc5c(cc2C)C(C)(C)CCC5(C)C)c2cc5oc6ccccc6c5cc2B4N2c4ccccc4Oc4cccc-3c42)c(C)c1"]
["185906147","Cc1cc2c3c(c1)N(c1c(C)cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc1C)c1ccc(C(C)(C)C)cc1B3c1ccc(F)cc1N2c1cccc(F)c1"]
["3862396","Cc1cccc(-c2nnc(SCC(O)=Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2C)c1"]
["48961528","C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)N(Cc1ccc(N3C(=O)COc4ccccc43)cc1)c1ccc(Br)cc12"]
["80045697","CC(O)=Nc1nc(CSC2=NNC(=C3C=Nc4ccccc43)N2c2ccccc2C)cs1"]
["3862843","CCN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1C"]
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["95301555","CCC1(N2CCNC(C)C2)CCC1"]
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["124200034","C[C@H]1CNCCN1C(=O)CCCc1ccccn1"]
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["134659113","Cc1nc(CCN=C(O)Nc2cc(Cl)ccc2N2CCOCC2)sc1C"]
["43741216","Cc1cc(OCC(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)ccc1Cl"]
["96150099","CCNC(c1cncc(C)c1)c1cc2cccc(Cl)c2o1"]
["192151427","CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]
["126635014","CCCC(Nc1cccc(NS(=O)(=O)CCC)c1C)C1CC1"]
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["MCULE-1487176992","COc1ccc(-c2nc(CC(O)=NC(C(O)=Nc3cc(Cl)ccc3Cl)c3ccccc3)c(C)o2)cc1"]
["118920127","CN=C(NCc1cc(C(C)C)no1)N(C)Cc1ccccc1Cl.I"]
["16365309","CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1N=C(O)CCC"]
["168496359","C[C@H]1CB(c2c(F)c(F)c(F)c(F)c2F)[P+](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)[C@@H](C)C[B-](c2c(F)c(F)c(F)c(F)c2F)=P(c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)[C@@H](C)CB(c2c(F)c(F)c(F)c(F)c2F)[P]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
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["198040597","CC1Cc2ccc(F)c(Br)c2CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]
["97211591","Fc1c(F)c(F)c(B2CCCC2)c(F)c1F"]
["148092179","CC1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1N.Cl"]
["170534008","C[C@H]1CC(=[N+](C)C)C2=C1C=C[C@H]2[BH-](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["155887430","C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccnc2Cl)N1"]
["155896883","C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2F)N1"]
["167254316","C[Si](C)(Cl)N1SN([Si](C)(C)Cl)B1c1c(F)c(F)c(F)c(F)c1F"]
["170469286","C[C@H]1C[C@@H](B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)B(c2c(F)c(F)c(F)c(F)c2F)[C@@H]1c1c(F)c(F)c(F)c(F)c1F"]
["155897126","C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2F)N1"]
["167254277","C[Si](C)(C)N1SN([Si](C)(C)C)B1c1c(F)c(F)c(F)c(F)c1F"]
["178674471","FC(Cl)SC1=C=C2O[I+]O[C-]2[CH-]C1"]
["172061332","C[C@@H]([Cl+]N)C1=C=C2OC(F)(F)O[C-]2[CH-]C1"]
["158394599","N=C1COC[C@@H](c2c(F)ccc(Cl)c2F)N1"]
["75432810","CC(C)C1=C=C(c2ccccc2OC(F)(F)F)[N]O1"]
["179687004","COC1=C=C(C)C[CH-][C-]1C[I+]C"]
["46817272","ClC(c1ccc(Br)cc1)c1ccc(Br)o1"]
["180019041","CC(C)(C)C1=C=C2O[I+]O[C-]2[CH-]C1"]
["179156072","NN=C([O-])C1(C2=C=C3O[I+]O[C-]3[CH-]C2)CC1.[Al+2].[I-]"]
["179921628","COC(=O)c1cc(SC(F)Cl)cc([N+](C)=O)c1"]
["162631464","COC1(c2nc(C(C)Cl)no2)CCOC1"]
["162505837","FC(F)c1nnc(C2CC2(Cl)Cl)o1"]
["99578348","[B+]=C1[CH-]C(SC)=C=C(F)C1"]
["161801389","O=c1[nH]n2n(c1=O)CCN2"]
["54867722","COCC1CCN(c2cc3c(cc2N)NC(=O)CC3)C1"]
["178419573","Cc1cccc(-n2ncc(N3CCNC3)c(Cl)c2=O)c1"]
["55513116","CCC(C)N(CC)c1cc2c(cc1N)NC(=O)CC2"]
["65833158","Cc1[nH]n(C(C)C)c(=O)c1C(C)C"]
["139301251","Cc1c(C(=O)N(C)CC2CCN(C)CC2)[nH]c2c1C(=O)CC(C)(C)C2"]
["44811867","O=c1nc(O)c2nccn2[nH]1"]
["19401765","[NH+]#Cc1ccc(C(=O)N2CCNCC2)cc1"]
["89229188","CC1(C)NCCN(c2ccc(C(=O)O)cc2)C1=O"]
["172300329","C=CCOC(=O)N1CCNCC1=O"]
["101698258","Cl.Clc1ccccc1N1CCCCN1"]
["89609352","CCN1CCC(=O)CCC1=O"]
["161336409","C=CB=BC(=BC=C)n1bbbb1"]
["183512422","C=CNN(O)C=C"]
["92082927","C=CCCCNCC(C)(C)SC"]
["112244482","C=CCCCNC(C)(C)CC(=N)O"]
["194499018","C=CN([S-])C(=N)S"]
["167396811","[B]=[PH](CC=C)C(C)(C)C"]
["45687400","C=CCCNC(C)(C)CO"]
["162263550","C=CCC(O)C(=O)N1CCOCC1"]
["149636840","C=CC(C)=C(C)CC(C)C(=C)C"]
["177531251","C=C/N=C\\C=C(C=C)C=C"]
["162506105","C=C[C@](C)(O)[C@H](O)C(=C)C"]
["99322413","C=C/C(O)=C/CO.[Po]"]
["161724026","C[Si](C)(C)N([Si](C)(C)C)[Si](C)(F)N1[Si](C)(C)N([Si](C)(C)C)[Si]2(C)N([Si](C)(C)C)[Si](C)(C)N2[Si]1(C)C"]
["200249831","C[Si](C)(C)N([Si](C)(C)C)[Si](Cl)(Cl)N([Si](C)(C)C)[Si](C)(C)C"]
["97417278","C[Si](C)(F)N1[Si](C)(C)N([Si](C)(C)F)[Si](C)(C)N([Si](C)(C)n2ccc3ccccc32)[Si]1(C)C"]
["97439212","C[Si](C)(C)N1[SiH2]C[Si]1(C)C"]
["98726793","CC(C)=C=C=C=C=C(F)F.FF"]
["96803284","C[Si](C)(C)[N-][Si](C)(C)N([Si](C)(C)C)[Si](C)(C)C.[Li+]"]
["152954763","C[Si](C)(F)N1[Si](C)(C)N([Si](C)(C)F)[Si]1(C)C"]
["97000501","CC(C)(C)[Si](F)(ON([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C"]
["47094915","CC(C)=NN(C)[Si](F)(F)N([Si](C)(C)C)[Si](C)(C)C"]
["161923857","C[Si](C)(C)N([Si](C)(C)C)[Si]1(C)N([Si](C)(C)C)[Si](C)(N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C"]
["24941752","CN1[SiH2]N[SiH2]N[Si](C)(C)N(C)[Si](C)(C)N(C)[Si](C)(C)N(C)[Si]1(C)C"]
["25441761","CN1[Si](C)(C)N[SiH2]N[SiH2]N[Si](C)(C)N(C)[Si](C)(C)N(C)[Si](C)(C)N(C)[Si]1(C)C"]
["173993469","c1cc2c3c(c4c(c5c3c1N=N5)N=N4)C1=C(N=N1)C21N=N1"]
["179699031","CC1(C)N=Nc2ccc(CI)c([N-]I)c21.[Al+]"]
["171904749","O=C1N2N=NC13N=Nc1c4c(cc2c13)N=N4"]
["22485433","C1=CC(c2cccc3c2N=N3)=CCC1"]
["80917478","CC(O)=Nc1ccc2c(c1)C(=C1C=c3ccccc3=N1)N=N2"]
["185433201","NC1(S(=O)(=O)O)N=Nc2ccccc21"]
["192789786","O=C(O)C(F)(F)F.O=C(O)C1=C2N=Nc3cccc1c32"]
["169964130","CC1(C)C=Nc2c1ccc1c2CC(O)=N1"]
["74706624","O=c1ccc(O)nc2c1c1c(c3nc(O)ccc(=O)c32)N=N1"]
["161746475","Nc1ccc2c(c1S(=O)(=O)O)N=N2"]
["62104395","O=C1N=Nc2cccc3[nH]nc1c23"]
["76241662","CCOC(=O)C12N=Nc3ccccc3C1(c1ccccc1)C2(C)C"]
["171856288","[C-]#[N+]C1CCC(N=NC2CCC(N=NC3C(SOOO)CC4CC(S(=O)(=O)O)C(N)CC4C3O)C3CC(S(=O)(=O)O)CCC23)C2CCCCC12"]
["171767263","CCCCCCCCCCCCN=C([O-])C1CC(OCCOC2CCC(N=NC3C(OS(=O)O)CC4CC(S(=O)(=O)O)CC(N=C(C)[O-])C4C3O)CC2)C2CCCCC2C1O.[Na+].[Na+]"]
["177137753","CCC1CC(N=NC2C(=O)N(C3CCCC(S(=O)(=O)O)C3)N=C2C)C(S(=O)(=O)O)CC1Cl"]
["180428501","CN=NC1CCC(NC)C2CCCCC12"]
["178901915","NC1CC2C(CC1S(=O)(=O)O)CC(S(=O)(=O)O)C(N=NC1CCC(N=NC3CCC(S(=O)(=O)O)C4CC(S(=O)(=O)O)CCC34)C3CCC(S(=O)(=O)O)CC13)C2O"]
["110351355","CCN(CC)S(=O)(=O)c1ccc(OC)c(N=C(O)CN2CCC[C@H]2C2CCCCC2)c1"]
["192529648","S.[C-]#[N+][C@@H]1CCCN1c1nc(N=c2[nH][nH]c3c2CN(C(O)=NC2C[C@@H]2c2ccccc2)C3(C)C)nc(OC)n1"]
["145291732","NC1CCN(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](N=C(O)c2ccc4c(c2)CC(O)=N4)C3)CC1"]
["96169541","Nc1ccc(Br)c(C(O)=NC2CC3CC2C2CCCC32)c1"]
["52781591","OC(CSc1ccccc1F)=NC1CC2CC1C1CCCC21"]
["177136946","NC1CCC(N=NC2CCC(N=NC3C(O)C4C(CC(S(=O)(=O)O)C(N=NC5CC(COO)CC(COO)C5)C4N)CC3S(=O)(=O)O)C(COO)C2)C(O)C1"]
["175748494","O=S(=O)(O)C1CCC2C3[N-]C(NC4NC(NC5[N-]C(NC6NC(N3)C3CC(S(=O)(=O)O)CCC63)C3CC(S(=O)(=O)O)CCC53)C3CCCCC43)C2C1.[Zn+2]"]
["91179701","C1C2SSNC2=[NH+]C2NSSC12"]
["167544216","Cc1ccccc1CCN=C(O)[C@H]1C[C@H](F)CN1.Cl"]
["74814507","CC1CN=C(O)NSS1"]
["56107286","CCc1nc(C)nc2c1N[C@H]1[C@@H](CC)C[C@H](CC)[C@H]1O2"]
["165654010","Cc1nc(=NC2CCOC(C3CC3)C2)s[nH]1"]
["77524864","[NH2+]=C1NC2CCCCC2S1"]
["61135719","CC1CC(C)SN1"]
["118464315","CCCC1CC1NC(=NC)NCc1ccccc1C"]
["184177197","C1C2SC3C[C@@H]3[C@H]12"]
["133358179","CNC(=O)c1sc2[nH]c(C3CC4CCC3C4)nc(=O)c2c1C"]
["77497780","Cc1nnn(C23CC4CC(CC([NH3+])(C4)C2)C3)n1"]
["95925730","CCC1CCSC(=NC(C)C23CC4CC(CC(C4)C2)C3)N1"]
["161929751","C[SiH](O[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH]=O)[Si](=O)[Si](=O)[SiH]=O"]
["183484510","COC(CC(OC)(OC)P(=O)(O)O)P(=O)(OC)OC"]
["193797714","C[Si](C)(C)O[Si](C)(CCC#N)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH]=O"]
["78379693","C[SiH](O[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH]=O)[Si](=O)[Si](=O)[Si](=O)[SiH]=O"]
["56066177","CC(C)(C)C(Br)(Br)O[Si](=O)OC(Br)(Br)C(C)(C)C"]
["162017595","CC(=O)Oc1ccccc1CCC[Si](C)(C)O[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH]=O"]
["191134873","C[SiH](O[Si](C)(C)C)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH2]O[Si](C)(C)C"]
["181363479","COC(C)C[SiH]=O"]
["99117887","C[Si](C)(C)[Si](C)(O[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH]=O)[Si](=O)[Si](=O)[SiH]=O"]
["78474643","C[Si](=O)[Si](=O)[SiH](C)[Si](=O)[SiH](C)C"]
["161823432","CC(C)(C)OP(=O)(OC(C)(C)C)C(C)(C)C.F[B-](F)(F)F"]
["191354333","C[Si](C)(CCCCO[Si](=O)[SiH]=O)[Si](=O)[SiH]=O"]
["102885876","C[Si](C)(C)N=NPN=[N+]([Si](C)(C)C)[Si](C)(C)C"]
["79703302","CCC(C)CC[N+](C)[Si](C)(C)C"]
["170539334","C[Si](C)(C)N=Nc1c(N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)nn([Si](C)(C)C)c1[Si](C)(C)C.C[Si](C)(C)N=Nc1c(N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)nn([Si](C)(C)C)c1[Si](C)(C)C"]
["178889702","C[NH+]=CN=N[Si](C)(C)C"]
["79583990","CN(C)PN=[PH3].O"]
["172204344","C[Si](C)N=C=N[Si](C)(C)C"]
["187370758","C[Si](C)(C)N=C=NS(C)(C)C"]
["79086734","C=[N+]([NH-])[Si](C)(C)C"]
["64421969","C[Si](C)(C)N=N[Si](C)(C)C"]
["78946043","CC/N=N/[Si](C)(C)C"]
["97513888","CC[P+](CC)(CC)N=P(C)(C)O[Si](C)(C)C"]
["193005889","Cc1[nH]c(=N)sc1N=Nc1ccnn1C"]
["19385372","[NH3+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1"]
["12538321","[NH3+][C@@H]1CCC[C@@H](C[C@H]2CCC[C@H]([NH3+])C2)C1"]
["12421340","[NH3+][C@H]1C[C@H]2CCC[C@@H](C1)[C@]2(O)C(F)(F)F"]
["167213305","CC1OCC2C[C@@H]3CCCC[C@@H]3[NH+]21"]
["80597852","[NH3+]C1CCCNC1"]
["4312959","CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH3+])C2"]
["180287427","CNC1CC1OI"]
["100769589","C1CC2CC(CCO1)S2"]
["178173680","CC1C[C@@H]2CC[C@@H](CNC2)C1"]
["172219957","CC(C)OC1C[C@H]2CC[C@@H](C1)N2C(C)C"]
["18605078","CCOC(=O)[C@@H]1[C@@H](O)C[C@H]2CC[C@@H]1[NH+]2C"]
["12765688","CO[C@H]1C[C@@H]([NH3+])C1"]
["169881080","CC(C)(C)CC(C)(C)C=NCCC(C)(C)/C=C\\C(C)(C)CC(C)(C)/C=C\\C(C)(C)CC(C)(C)C(C)(C)C"]
["5240824","CCCCC[C@@H](C(O)=NC(C)(C)CC(C)(C)C)N(CCC)C(=O)[C@@H](CC)c1ccccc1"]
["79310749","[CH2]CC(C)(C)CCCCC=C"]
["7976134","CCC/C=C/[C@@H](C(O)=NC(C)(C)CC(C)(C)C)N(C(=O)c1c(O)cccc1O)C(C)(C)C"]
["67247620","CCC(C)(CC)C(C)(C)CC(C)(C)C"]
["110911634","CN(C)CCN(C)CC(C)(C)C=NCCN(CCN=CC(C)(C)CN(C)CCN(C)C)CCN=CC(C)(C)CN(C)CCN(C)C"]
["43392510","CC1CCC2(CC1)CSC(=NC(C)(C)CC(C)(C)C)N2"]
["169636653","CC(CC(C)(C)C)c1ccc(-c2nnc(-c3ccccc3)nn2)cc1"]
["177211863","CCCC(C)(C)/C=C/c1ccc(Br)o1"]
["169920348","CC(C)(C)CC(Cl)(I)[N+](C)(C)C(C)(C)C"]
["99684689","CCCN(C(=O)CC(C)(C)C)N([O-])N=O"]
["62858833","CCC[C@](C)(CC)C[C@@](C)(CCC)CC(C)(C)C"]
["19020760","C[NH+]=C(O)CN1CCC(NC(O)=[NH+]CC(C)(C)N2CCC(N(C)C)CC2)CC1"]
["10513796","CCN(C(=O)CN1CCN(CC(O)=[NH+]c2cccc(C)c2C)CC1)C1CCCCC1"]
["53162460","CC(C)C[NH+]=C(O)[NH+]=C(O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1"]
["156621617","CC(=O)N1CC[C@H](NC(O)=NC[C@@H]2CCCO[C@@H]2c2ccccc2)C1"]
["2955807","CN(C)C1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(C#[NH+])c2)CC1"]
["120992702","Cc1cccc(N(C)C2CCN(CCN)CC2)c1"]
["7902988","Cc1cccc(C(O)=NCC(O)=[NH+]C[C@H](C)N(C)C2CC2)c1"]
["51920290","CCNCC1CCN(C(C)(C)CC)C1"]
["43062096","CCC(C)(CNCC(C)C)CN(C)C1CCSC1"]
["43033742","COCCCS(=O)(=O)NC1CCN(CC(=N)NO)CC1"]
["MCULE-5311348165","CN(C)C1CCN(c2cc(N3CCN(c4ccccc4Cl)CC3)nc(-c3ccccc3)n2)CC1.Cl"]
["63036736","CC(CN1CCCC(C(C)(C)C)CC1)(NC1CC1)C(=N)O"]
["75523315","[O-][PH]1=C2C=C=CC=C2C2=CC=C=C[C+]21"]
["78251846","C1=CC=C2CCCC[C]2C=1.[Cl-].[Mg+]"]
["170200922","C1=CC=C2[C](C=1)Oc1ccc(-c3ccncc3)cc12"]
["25027396","O=[N+]([O-])C1=CC=C=C[C]1CCl"]
["179438913","CC1=C(C2=N[N+]3(C)C(=NN=C3C(C)C)C=C2)C(C2=CC=C=C[C]2I)=NC1.[Tl]"]
["74630984","CN(C)C([O])=C1C=C=CC=C1Cl"]
["73929954","CCC1NCC[C]2C=C=CC=C21"]
["100573058","COc1cc(Cl)ccc1C1=CC=C=C[C]1O"]
["73539490","CC1=C(Cc2cccc(F)c2)C2=CC=C=C[C]2N1"]
["74575262","ClC1=CC=C=C[C]1C1CC1"]
["74240133","CCO[C]1C=C=CC=C1c1cnn(C)c1"]
["24940366","O=S(=O)(O)[C]1C=C=CC=C1Cl"]
["173397148","C.[CH+]=CC(=CC=[CH-])C(C[NH-])N1CCN(P)CC1.[Rh]"]
["171309090","CCCC[C@@H](c1cccc(Cl)c1O)N1CCNCC1.Cl.Cl"]
["73594918","O=[PH2]CC(N1CC1)N1CC1"]
["158918470","CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2CS3)CC1"]
["21222533","Cc1csc(N2CCN([C@H](C)C(=[NH2+])O)CC2)n1"]
["101655025","CC(C)[NH+]1C=CC2=CC(=O)C(O)=CC2=C1"]
["66409963","CCCc1nsc(N2CCN(C(CCC)C(=N)S)CC2)n1"]
["MCULE-3679936810","CC(C1CCSCC1)n1cc(CBr)c(O)n1"]
["134379369","COC1(CN=C(O)C(c2ccccc2)N2CCSCC2)CCC1"]
["3346911","NN=C(O)C[C@@H](C(O)=NN)N1CCOCC1"]
["103707263","COc1cc([C@@H](CN)N2CCN(C)CC2)ccc1O"]
["176896292","OC=NOCCN1CCCN(P)CC1"]
["100263675","CC(C[Si](O[Si-](C)C)(O[Si-](C)C)[O+]=[Si](C)C)[Si]([O+]=[Si-])(C(C)C[Si](O[Si-](C)C)([O+]=[Si](C)C)[O+]=[Si](C)C)[Si-](CCCS)([Si]([O+]=[Si-])(C(C)C[Si](O[Si-](C)C)(O[Si-](C)C)[O+]=[Si](C)C)C(C)C[Si](O[Si-](C)C)([O+]=[Si](C)C)[O+]=[Si](C)C)=[Si-]([O+]=[Si-])(C(C)C[Si](O[Si-](C)C)([O+]=[Si](C)C)[O+]=[Si](C)C)C(C)C[Si](O[Si-](C)C)([O+]=[Si](C)C)[O+]=[Si](C)C"]
["184831336","C[Si](C)=[O+][Si](C)(C)O[Si-](C)C.[W].[W]"]
["172743248","CC[Si](C)O[Si](C)(O[Si-](C)CC)[O+]=[Si](C)CC"]
["194565610","C[Si](C)=[O+]C(O[Si-](C)C)(O[Si-](C)C)[Si](C)(O[Si](C)(O[Si-](C)C)[O+]=[Si](C)C)[O+]=[Si](C)C"]
["99229726","CO[Si](C)(O[Si-](C)C)[O+]=[Si](C)C"]
["168550836","C[Si](C)=[O+][Si](C)(O[Si](C)(O[Si-](C)C)C1CCCCC1)C1CCCCC1"]
["99489114","C[Si](C)=[O+]C(CCCI)(O[Si-](C)C)[O+]=[Si-]"]
["99643101","C[Si-]=[O+][Si@@](C)(CCO[Si-](C)C)O[Si](C)(C)[O+]=[Si](C)C"]
["34257818","C=C[Si](O[Si](C)C)(O[Si-](C)C)[O+]=[Si](C)C"]
["81677467","CCC[Si-](C)CCOCCOCCC[Si](C)(CCC)CCCOCCOCCC[Si](C)(C)[O+]=[Si](C)C"]
["172906154","C[Si](C)=[O+][Si](C)(CCCCC(CO)(CO)CCCC[Si](C)(O[Si-](C)C)O[Si](C)(C)C)O[Si](C)(C)C"]
["99324853","C/C=C/C(=O)OCCC[Si](O[Si](C)C)(O[Si-](C)C)[O+]=[Si](C)C"]
["115382603","[NH3+]N=C(S)N=c1[nH][nH]c2c1CNCC2"]
["75492195","[2H]C([2H])([2H])C(N=C(C)O)C1=CCNCC1"]
["100176752","CN(Cc1cccc(I)c1I)c1ccc2c(c1)CNCC2"]
["95164346","COC(C)(C)c1nc2c(c(C(F)(F)F)n1)CNCC2"]
["146861126","CCOC(=O)c1c(NC(=O)c2n[nH]c3c2CNCC3)sc(C)c1CC.Cl"]
["89365524","CNCc1[nH]nc2c1CCNC2"]
["22924889","O=C(O)C=C1CCNC1"]
["146863412","CCc1nc2cc(NC(=O)c3n[nH]c4c3CNCC4)ccc2o1"]
["146866403","CC1CN(C(=O)c2n[nH]c3c2CNCC3)C(C)(C)C1"]
["146871441","COc1ccc(OC)c(CCCNC(=O)c2n[nH]c3c2CNCC3)c1.Cl"]
["146863906","Cc1cccc(C)c1OCCNC(=O)c1n[nH]c2c1CNCC2.Cl"]
["62513017","Cc1ncc2c(c1CN=C(O)CC(C)c1ccccc1)CCNC2"]
["100850676","c1nc2nc(n1)Nc1nc([nH+]c[nH+]1)Nc1n[cH+][nH]c(n1)Nc1nc([nH+]c[nH+]1)Nc1nc(nc[nH+]1)[N-]2"]
["102897846","c1nc2nc(n1)Nc1ncnc(n1)Nc1ncnc(n1)N2"]
["83383541","O=C1N=C(CN2CCN(c3[nH+]cnc4sc5c(c34)CCC5)CC2)N=C2SC3=C(CCCC3)C12"]
["295357","CSc1c[nH+]c(OCC[OH+]c2n[cH+][n-]c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)[nH+]c1.O.[Na+]"]
["102897845","c1nc2nc(n1)Nc1nc([nH+]c[nH+]1)Nc1nc(nc[nH+]1)N2"]
["20727842","CC1(C)CC(=O)C(Sc2ncnc3[nH]c[nH+]c23)C(=O)C1"]
["85576388","CCCc1c(Cl)ncnc1Sc1cc2ccccc2[nH]1"]
["185007008","N=c1nc2nc(C(=O)[O-])[nH]cc-2[nH]1"]
["55891","CCO.C[OH+]c1c[nH+]c(OCCOc2n[cH+][n-]c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)[nH+]c1.[Na+]"]
["100238098","O=C(N=c1cccn[n-]1)[N+]1(c2nccc[nH+]2)CCCCC1"]
["104005838","CSc1nc2c(S)nc[nH+]c2[nH]1"]
["74961002","O=C(CC(SC(=O)c1ccccc1)C(=O)c1occ2ccccc12)OC(=O)[C@@H]1CCCN1"]
["176193912","CCCOOC[CH-]CC[CH-][n+]1cnc2[c-][n-]cnc1-2.[K+].[Y]"]
["173231689","CCCCOCOc1cccc(Oc2ccc(OCCCC)cc2)c1"]
["50614158","CCCOc1nc(Cl)nc(N(C)C(C)C)n1"]
["87404923","CCCOc1cncc(CCBr)c1"]
["101313883","CCCO[C]1C=CC(Cl)=CC1=C(C)CF"]
["179280020","CCCOC(=O)c1ccc(CS(=O)(=O)c2cc(Cl)c(Cl)s2)cc1O"]
["10661080","CCCCOc1ccccc1[NH2+]C[C@@H]1CCC[C@H](C)N1"]
["113394662","CCOCCN=C(O)c1cc(O)ccc1Cl"]
["119895310","CCCCOC(=O)COc1cc(OC)ccc1N"]
["155300646","CCCOc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br"]
["74595217","CCCCCOc1c(C)c(C)c(C)c(O)c1O"]
["119366827","CCCOc1cc(Cl)c(C(=O)OCC)cc1N"]
["175155942","[B+]=C1CC=CC2=C1CC(=O)N2c1ccc(N(c2ccc([N+]3=C([O-])C[C-]4C(=[B+])C=CC=C43)cc2)[C-]2C=C[C-]([N+]3=C([O-])C=c4c3cccc4=[B+])C=C2)cc1"]
["174457920","O=C(O)C(Cc1ccc(OCC2(C(F)(F)F)C=CC(c3ccccc3)=CC2)cc1)n1ccc(Br)c1"]
["149420185","Cc1cc(C)c(C#N)c(SC2=C(N(C)c3ccccc3)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)n1"]
["3539670","O=C1C[C@H](C(O)=NC[C@H]2COCCO2)CN1c1cccc(O)c1"]
["79738596","C1=CCC2=Cc3ccccc3N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(N7C8=CC=CCC8=Cc8ccccc87)cc6)cc5)c5ccc(-c6ccc(N7C8=CC=CCC8=Cc8ccccc87)cc6)cc5)cc4)cc3)C2=C1"]
["20299828","CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1"]
["76091914","O=CC1N=CC2=CC=CC3=C4SC=CC=C4CC3=C2N1CCc1ccccc1"]
["99748956","[B+]=C1CC=CC2=C1CN(Cc1ccccc1)CC2([O-])c1cc(C(C)(C)C)ccc1OC"]
["195064252","O=C1N(c2ccc(N([O-])O)cc2)C(=O)[C@]23CC=CC[C@]12CC(=C(c1ccccc1)c1ccccc1)C3"]
["19073280","CN(C)c1ccc(N2C(=O)C[C@@H](N(C)Cc3cccc(C#N)c3)C2=O)cc1"]
["179646938","Cc1cc(I)cc(F)c1C(C)(C)C1=CC=C[C](C(C)(C)c2cccc3c4c([pH][n+]23)=CC(=[F+])C(C#N)=C=4)N1C.[Tl]"]
["99734898","[B+]=C1CC=CC(C)=C1CN=C(O)CN(CC(=O)N1CC=CCC([NH-])C1)c1cccc(OCc2cccc(C)c2)c1"]
["172675059","O1[C@]23[C@@H]4[C@]56[C@@H]7[C@@]52S17463"]
["171489968","CC1CCCCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1"]
["186912712","F[B-](F)(F)CC1CC2(C1)C(F)(F)C21CCC1.[K+]"]
["174082982","C[C@@H]1C[C@H](C)C(F)(F)CO1"]
["173381903","C[C@H]1CC2(CC2)CO1"]
["171653417","CC1OB2OC1(O)O2"]
["151956359","NC[C@@H]1CC2(CC2)CO1"]
["164270616","C[C@@H]1O[C@H](C)[C@@H](C)C1(C)C"]
["174944439","CC1CC2(CC2)CO1"]
["147601456","CC1CC2(CCC(C)(C)OC2)CO1"]
["197395597","OC1COCC12CO2"]
["162603507","C[C@@H]1O[C@@]1(CO)[Si](C)(C)C"]
["62073566","C1CN2CCO[Si](C[Ge]34OCCN(CCO3)CCO4)(O1)OCC2"]
["91862507","NCC1COCCN1S(N)(=O)=O"]
["33098684","CN1CCO[Si]2(OCCN(C)c3ccccc32)c2ccccc21"]
["106498615","C[C@H](C(=O)N1CCCCCC1)[S@@](=O)Cc1cc(Cl)c2c(c1)OCCO2"]
["96490796","CCC(C)(C)CC(C)(C)N1CCOCC1"]
["154155593","C(=N\\CCC[Si]12OCCN(CCO1)CCO2)\\c1ccc(/C=N\\CCC[Si]23OCCN(CCO2)CCO3)cc1"]
["92926747","NC1CC(N2CCCO2)C1"]
["83241297","CCC[C@H]1OCCN1C"]
["78143014","NCC/[N+](=C\\c1ccc([N+](=O)[O-])cc1)CCC[Si]12OCCN(CCO1)CCO2"]
["6558056","CCC(=O)N1CCCN(C(=O)[C@@H](C)CSC)CC1"]
["168496268","COc1ccc(N=Nc2ccc(O)c(C=NCCC[Si]34OCCN(CCO3)CCO4)c2)cc1"]
["182651163","[N-]=[N+]=NCCC[Si]12OCCN(CCO1)CCO2"]
["78783592","C1CCP=NC1"]
["25891478","[NH]C1=NCCCN1"]
["43220469","Cc1nc(C(=O)N2CCCN=C(O)C2)cs1"]
["25757052","C1=NCCCCCCCCCC1"]
["74759716","C1=COC(C2CCCC[N]2)O1"]
["73766484","C1CCCCCCC/N=N/N=N/N=N/CCCCCC1"]
["98310555","C1=NCCCN=C1"]
["200450812","C1=NCCC1.[B]"]
["74443944","CC(C1CCCC[N]1)S(C)(=O)=O"]
["177151253","C1CCPN=NC1"]
["82803369","[O-]C1=NCCCC1.[Zn]"]
["74486997","C1CCC[N]CC1.CC12CCC[N+]1CC2"]
["184232593","C1C[I-]O[I-]O1"]
["193591869","C1COCC[NH2+]1.I"]
["180458520","[CH-]1CCCCO1.[CH3-].[U+2]"]
["179642821","C[P-]1(=O)NC[I]CO1"]
["180615333","C=IC1C[N-]CCO1.[Rh]"]
["170205807","N=S1(=N)CCCO1"]
["147906344","[B-]C1(F)COC1(F)F"]
["178291109","SC1CCO[I-]C1"]
["53671118","C1OOCOOCOOCOOCOOCOO1"]
["178981532","CCN1CCO[I-]C1"]
["73955123","C1COO1.CCO"]
["99524087","[C-]1=NCCO1.[Cu+]"]
["161880359","c1[si]#[si][si]#[si]p1"]
["91476606","C=c1[c+]ccc[cH+]1"]
["91385111","C1=[Si]=P1"]
["82533172","C=C1C=C(B(O)O)C=NC1=O"]
["170984745","c1c[si-][o+][si]#[si]1"]
["74155996","O=c1oooc(=O)c2ccc1cc2"]
["91276356","c1cc2cc[c+]-2c1"]
["161718993","C1=[Si]P1"]
["173211865","c1c[si]#[si][nH]1"]
["161851085","c1c[si]#[si][si]#[si]1"]
["78129266","SP1C=P1"]
["82656205","O=C1C=NN2C=CN=CC12"]
["91294240","CB1NB(C)SB(C)N1"]
["22712557","CB1OB(C)OB(C)O1"]
["101187204","CB1CCB(C)PCP1"]
["53430218","CB1NB(C)SS1"]
["184183532","CC1CSC(C)[C@H]1C"]
["168640858","C[S](C)B1SCCCS1"]
["159339672","CC(C)(C)c1nc(C(C)(C)N)n[nH]1"]
["55186351","CCB1NB(C)NB(CC)N1[Si](C)(OC)OC"]
["54527124","CB1OCNCO1"]
["161723471","CN(C)B1SB(N(C)C)B(N(C)C)SB1N(C)C"]
["156252894","CB1BS1"]
["83259661","CB1OCOB(C)O1"]
["98194781","C[SiH]1[Si](C)(C)[Si]2(C)[Si]1(CF)[SiH]1[Si]3(C(F)(F)F)[SiH](C)[Si](C)(C)[Si]3(C)[Si]12C"]
["92858210","CNCC1(CCSC(F)(F)F)CCOC1C"]
["163006155","CC(O)CN(C)CC(F)(F)Br"]
["46536383","CC(F)(F)S(=O)(=O)C(S(=O)(=O)C(C)(F)F)S(=O)(=O)C(C)(F)F"]
["173894212","C[B]CC(F)(F)C(F)(F)F"]
["184836679","C[Si]1(COCC[18F])CCC=CCC1"]
["169755121","COF.FCC(F)(F)C(F)(F)F"]
["47629550","CCCCB1CC[Si](C)(C)CC1"]
["89186836","CC(CC1(N)CC1)C(F)(F)F"]
["174718795","CC.FCC(F)(F)C(F)(F)F"]
["79476549","CC(=O)OCC(I)CC(F)(Cl)C(F)(F)Cl"]
["174555464","CC(CC(I)CF)C(F)(F)F"]
["76035444","O=P12C3=C1N2N=[N+]3"]
["74945282","COC(=O)C1=CNN(C(=O)OC)N=N1"]
["74096975","CC1=CN(Cl)N=[N+]1"]
["42309064","O=P12C3=NN1C2=N3"]
["156961508","C[C@@H](CN1C(=O)CN=C1O)C(C)(C)C"]
["47466873","NC1CCN(CCN2C(=O)CN=C2O)CC1"]
["76675217","O=C1N=S(=O)=N[C-]1O"]
["34124354","O=C1N=NC(=O)N1C1CCCCC1"]
["189804980","CC1=CNC2N=C(O)N=C(O)N12"]
["163095938","C[C@@H]1[C@H](N)C(=O)N1C([Si](C)(C)C)[Si](C)(C)C"]
["111862680","CC(C(=O)O)C(C)c1n[nH]c(=N)n1N"]
["43869278","CC1=CN(C(C)C)P(=O)(c2ccccc2)C(C)=C1"]
["192869134","N=[P+](P)OOOO[P+]([O-])=NP=O"]
["183882771","N=NN=[P+]([O-])CN=[NH2+]"]
["183895269","CC(C)(C)ON=[P+]([O-])[O-]"]
["78056069","O=PO[PH](=O)OP=O"]
["52060724","C[P+](=N)/C(P)=C(/C#CC#CC#CP=O)P=O"]
["67845471","N=N/N=N/N(OOO)OOOS"]
["54441094","O=NO[O-].[Li+]"]
["185716830","[NH3+]N=[P+]([O-])OP(=O)=O"]
["78274454","N=NNN=[P+]([O-])O"]
["161880213","N=NC=CP=O"]
["81459027","N=NN=NN(OOO)OOOO"]
["193662438","N=[P+](P)P(N=PP(P)P)P(P)P"]
["58841424","[Pd].[pH]1p2p(-p3p4p(-p5p6p(-p7p8[pH]p78)p56)p34)p12"]
["91073617","[pH]1p2p(-p3p4p(-p5p6[pH]p56)p34)p12"]
["57452261","Cl[P+]1(Cl)p2p(-p3p4[pH]p34)p21"]
["50013064","[pH]1[pH]p2[pH]p2[pH]1"]
["60790780","[pH]1[pH]p2[pH][pH][pH]p2[pH]1"]
["48907454","Cl[P+]1(Cl)p2p(-p3p4[pH]p34)p21.[Pd]"]
["79264013","P1PP2PPN1PP2"]
["173549997","[pH]1n2[pH]p12"]
["97274402","c1ccc(Cp2p3[pH]p4p2p4p3Cc2ccccc2)cc1"]
["57141848","Sp1[pH]sp(S)[pH]1"]
["43429601","[pH]1p2p(-p3p4p(-p5p6p(-p7p8[pH]p78)p56)p34)p12"]
["96558732","[p-]1p2[p-]p3p1p3[pH]2"]
["99469427","[Si+]C(=[Si-])[CH+]CSC[CH+]C([Si-])=[Si-]"]
["171578894","CC[CH+]C(=[Si-])C(=O)S"]
["26778701","Cc1nc(C)c(CO)[nH]1"]
["185373579","CCc1nc(C(=O)[O-])[nH]c1C"]
["191828057","C.C=C.CC(C)(COO)SC(=S)SC(C)(C)C(=O)O"]
["84149050","CSC(=NC#N)SCI"]
["88984475","[C-]#[N+]CCc1[nH]c(C)nc1C"]
["99469559","[Si+]C(=[Si-])[CH+]CSSC[CH+]C([Si-])=[Si-]"]
["26830646","CN(C)C(=O)CI"]
["196666231","CN([O-])C(=O)CI"]
["44320488","CSCCCC#[N+][O-]"]
["184858070","OCC1(SSC2(CO)C=CC=CN2)C=CC=CN1"]
["168487669","[Si+]C1([Si-])[CH+]CC[CH-]1"]
["96872313","COC1(OC)[CH+]CC[CH-]1"]
["101535902","C1#[N+]NC2(C1)C[CH-]CCC2"]
["195993485","NC1(N)CC(=O)C(N)(I)P1"]
["97742430","[CH+]1C[CH-]CCC12CO2"]
["100211874","O=C1CC[CH+]C1=[Si-]"]
["168463979","FC1(F)[CH+]C([Si+])([Si-])C1"]
["75874633","BrC(Br)(Br)C(Br)(Br)C1[CH+]CC[CH-]C1"]
["59973875","[CH2-][C@@]1(C)CC[CH-]C1(C)C.[Ca+2]"]
["59493853","CC(C)(C)S(O)(O)C1C[CH+]CC[CH-]C1.C[C-](C)C.[Y+3]"]
["180676842","COC1[CH-]CC[CH-]C1.[Ce].[Ce]"]
["111429515","C=C(CCl)CN1CCC(C)(C)C1"]
["100853735","[B+]1[N+]BN[B+][N+]BN1"]
["97296231","B1[N+]N1"]
["97039095","B1=[N+]BNBN1"]
["180655161","C1C2C1[N+]21CN1"]
["97883968","B1=[N+]B=[N+]BN1"]
["184268276","CN/C=C\\N[Si]C"]
["171767361","CNN(C=[Cl+])NC"]
["78352898","C=NI=C/C(C)=C\\C=C\\NC"]
["161991910","C/C=C(C)/C=C\\NC"]
["189093371","CN/C=C\\C(=N)/C=C/[N+](=O)[O-]"]
["180817996","C[N-]N([C-]=CNC)C(C)[I+]I"]
["195274821","CNC=CCCCCCC(C)C"]
["178519508","C=C1C=CC#CN1/C=C\\NC"]
["110899173","C[N]C=CNC"]
["184490347","CC[C@H](N)/C=C\\NC"]
["180019167","CCN/C=C\\NNC"]
["172336389","CN/C=C\\C(=N)Nc1ccc(C(C)C)cn1"]
["99194797","BCBBBBBBB=C"]
["78436717","BBBBBBBBBBBBBBCC"]
["79775427","[CH2-][CH]C[CH2-].[CH]=C.[Mg+2]"]
["148700829","BCCB=C=C"]
["168795025","BCBC1CC1"]
["78360493","BBBBBBCBCc1ccccc1"]
["79546912","BBBBBBBBCBCc1ccccc1"]
["161927415","BCSB=C"]
["79829256","BCBBBBBC"]
["78377376","BCBBBBCBBBBC"]
["78485376","BBBBCBBBBCB"]
["79352194","BBBBBBBBBBCC#N"]
["161803213","S=P(OS1=CC=CC=C1)(OS1=CC=CC=C1)OS1=CC=CC=C1"]
["172330548","Cl.N=S1C=CC=C1"]
["74628584","SCSC1=CC=CC=S1CS"]
["24759925","CC(C)OP(=S)(OC(C)C)OP1OCC(CCl)O1"]
["25453760","CC(=O)Oc1cc2c(cc1OC(C)=O)[N+]=CC=C2"]
["195834177","Cc1ccc(C(C)S2=CC=CC=C2)cc1"]
["161816449","CC(=O)OS1=CC=CC=C1"]
["195778965","CCS1=CC=CC=C1"]
["161673683","OC1C=CC=CS1=S"]
["172149611","C1=CC=S(C2c3ccccc3Oc3ccccc32)C=C1"]
["84010402","CC(C)OP(=S)(OC(C)C)SCCl"]
["91441107","COP(=S)(OC)Oc1cc(N)[nH]c(=N)n1"]
["61147103","c1[si]#[si]o[si]#1"]
["67718899","c1c[si]#[si]o1"]
["75013485","O=C1C#SOCC1=O"]
["150410891","CC1C=[O+]C(=O)O1"]
["178878065","CC1=C(C)ON=C=C1"]
["174716759","o1[o+][si-][si]#[si]1"]
["162257403","OC1CC2CC(O)CC(C1)O2"]
["25724914","O=C1[C]=COSN1"]
["172723876","O=C1CCC(=O)COC(=O)CCC(=O)OC1"]
["175451250","O=C1C(Cl)=NOC1Cl"]
["174017739","N=C(Cl)c1ccc(Cl)c(O)c1Cl"]
["180318502","O=C1CN(CC[NH+]2CC(=O)OC(=O)C2)CC(=O)O1"]
["178309561","CC1C2C3C4CCC5C6C7C2C2(C3C3C8C(C)C5(C)C86C372)C14C"]
["82334872","CC1C(O)CC2CCC3C4CCC(=O)C4(C)CCC3C2(C)C1(O)O"]
["184461060","CC1C2C3C4CC5CC6C2C27C1(C)C4(C)C21C3C(C)C51C67C"]
["185162701","CC1C(Nc2ccc(N)cc2)C2CCC1C2(C)C"]
["186499508","CC1CCC2C1CCN(C)C21COC1"]
["180648884","CCCC1C(C)C2(C)CC13C1CCC1C3C2CC"]
["179494511","CCC1C2C3CC4C5CC6C7C(CC)C(C)(CCC1(C)C43C)C62C57C"]
["163449795","C[C@@H]1CC[C@H]2[C@@H]1[C@@H]1C(=O)CC[C@]21C"]
["100413016","CC(C)C1C(C)CC2(C)CC3(C)CC4C(CCCCC(C)(C)C)CCC(C)C4C(O)C3C(C)C2(C)C1O"]
["102551317","C[C@@H]1CC[C@]23COC(=O)C2=C[C@H](O)C[C@H]3[C@@]1(C)CCC1=CC(=O)O[C@@H]1O"]
["64606970","CC1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)C=O"]
["184108692","C[C@]12CC[C@@H]3c4cc(C=O)c(O)cc4CC[C@H]3[C@@H]1CCC2O"]
["75895892","NCc1nc(-c2nc(-c3nc(C/C=C/c4nc(-c5nc(-c6nc(C=O)co6)co5)co4)co3)co2)co1"]
["100955473","C=C(N=C(O)c1coc(-c2coc(-c3coc([C@@H](N)CO)n3)n2)n1)c1nc(-c2nc(-c3nc(C(=O)O)co3)co2)co1"]
["123495660","N=C(O)C1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1"]
["68087296","O=[N+]([O-])c1ccc(OCc2coc(-c3ccccc3)n2)c(C(F)(F)F)c1"]
["139140770","COC(=O)C1(C)CCCN1Cc1coc(-c2ccc(F)c(F)c2)n1"]
["45885306","COc1ccc(-c2nc(CSCC(=O)Nc3ccc(C)cc3)co2)cc1"]
["142660520","CN(C)CC(=O)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1"]
["144694294","O=Cc1ccc2nc(CC3CCNCC3)nn2c1"]
["118302848","CCN(CC)Cc1ccccc1CNC(=NC)NCc1coc(-c2ccccc2)n1"]
["124092007","COCCS(=O)Cc1coc(-c2ccc(F)c(F)c2)n1"]
["136286201","Ic1cnn(Cc2coc(-c3ccccc3)n2)c1"]
["32083276","CCOC(=O)c1coc(-c2coc(/C=C/c3ccccc3)n2)n1"]
["175470232","N1=[SiH]NNN1"]
["25414973","CC1[N]C1(C)C"]
["25876448","C1=CC=CN[CH]N=1"]
["162752660","Brc1ccccc1C1=NNNN1"]
["175560349","C1=NNNC1=C1NNNN1"]
["184976238","CC1=NNNC1C"]
["99324800","O=NC1=NNNN1"]
["76424242","Cc1ccccc1.SC1=NNNN1"]
["25337119","CC1N=NNN1"]
["185591776","CC1NNN=[N+]1[O-]"]
["145651906","CC1CCNc2nccnc21"]
["26692578","CC1NC(C)C2(N=c3ccccc3=N2)C12N=c1ccccc1=N2"]
["76120433","C=C1[CH]C(C[n+]2cc3sc(CO)cn3c2)=CC=C1"]
["145668364","COC(C)OC(C)c1ccc(CO)s1"]
["114740042","OCC(CO)(CO)N=C(O)/C=C/c1ccc(Cl)s1"]
["79111738","C=C1[CH]C(N=C(O)/C=C/c2cccc(Br)c2)=CC=C1"]
["162603612","Cc1nccn1Cc1ncc(CO)s1"]
["138103934","CCc1cnc(N=C(O)c2cnn(-c3ccccc3OC)c2CC)s1"]
["2796385","COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1cccs1)CCC2"]
["157193867","Cc1cc(S(=O)(=O)N2CCC[C@H]2C[C@H](C)O)sc1Cl"]
["112879409","CC1CC(C)CC(NS(=O)(=O)c2ccc(CO)s2)C1"]
["167325252","C=CCc1cocc1CO"]
["200164058","OCc1c(Cl)sc2c1CCOC21CCN(Cc2cccc(Cl)c2O)CC1"]
["165944863","Cc1ccc2nc(COc3cccc(C(=O)N(C)Cc4ccc(Cl)s4)c3)cn2c1"]
["97288595","O1C2=C1C1C3=C(O3)C3C4=C(O4)C2C13"]
["22821780","O=C1OC(=O)C2C1C1C3C4C2C2C1C2C34"]
["97427679","C1=CCC2=C(C1)C1C3CC4C1C4C23"]
["145764854","O=C1O/C(=C\\S(F)(F)(F)(F)F)C1S(F)(F)(F)(F)F"]
["106802677","O=C1OC(=O)[C@@H]2CCCC3CCC[C@H]1C32"]
["109373608","O=C1OC(=O)[C@]2(Br)[C@H]3C=C[C@H](CC3)[C@@]12Br"]
["159062167","C1=Cc2ccccc2ON1.[B]"]
["109024533","O=C1OC(=O)[C@H]2C3[C@H]4C5C6[C@H]3[C@@H]6C([C@@H]54)[C@@H]12"]
["97707987","O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C(F)=C(Cl)[C@@H]2[C@@H]2C(=O)OC(=O)[C@@H]21"]
["78298484","C/C=C1/OC1C"]
["197364117","O=C1CC(C(F)(F)C(F)(F)F)C(=O)O1"]
["195370839","O=C1C[C@@H]2C(=O)OC(=O)C2C(=O)O1"]
["58785984","[NH-]CCC(=O)N=c1cc([N-]C(=O)CC[NH-])c([N-]C([O-])=CCN)c[c-]1N=C([O-])CC[NH-].[Ni].[Ni]"]
["MCULE-4838449125","CS(=O)(=O)c1ccc(-c2ccc(=NC(=O)CCCC(=O)N3CCCC3)[nH]n2)cc1"]
["94509734","CCc1cc(=NC(=O)C=C(C)C)[nH][nH]1"]
["92689106","CCC(C)(CN)C(=O)N=c1cccn[nH]1"]
["45827214","Cc1cc(=NC(=O)CCN(C)CC(O)=NC(C)(C)C)[nH]o1"]
["68837878","CCCCCC(=O)N=c1sn(C(=O)CCCCC)c2ccc([N+](=O)[O-])cc12"]
["131837925","Cc1ccccc1CCc1cc(=NC(=O)CCOC(C)C)[nH][nH]1"]
["8783868","COc1ccccc1[N-]C(=O)C[C@@H]1SC(=NC(=N)N)N=C1O"]
["156050584","COC(=O)N1C(=O)C(Br)=C(C#CCN=C(O)Cc2ccc(Cl)cc2Cl)C1=O"]
["91978113","CCCc1cc(=NC(=O)CCCC(=O)O)[nH][nH]1"]
["104504723","COc1ccc(/C=N/N=C(O)CCN2CCCC[C@@H]2c2cccnc2)cc1Cn1cc([N+](=O)[O-])cn1"]
["135604596","O=C(CCn1c(=O)oc2ccccc21)N=c1ccn(CC(F)(F)F)[nH]1"]
["79592855","[CH-]=CCC#CC#C[C+]=CC"]
["34328826","C=CC(O)C#CC#CC/C=C\\CCC"]
["162258531","CC[SiH](C#CCO)CC"]
["SN0197306-02","C=CCCC/C=C/CC#CC#CC(O)CC"]
["91247933","C=CCCCCC=CCC#CC#CC#CC"]
["66538172","[CH-]=CCCCC.[Cl-].[Mg+2]"]
["174130791","C=CCC#C/C(F)=C\\C"]
["79095977","CCS(=O)(=O)O.CCS(=O)(=O)O.OCC#CC#CCO"]
["190740645","[CH-]=C[C-](C)N=C=CC=[N-].[Y+3]"]
["178766448","CC=C=CN1CC[C@H](CF)C1"]
["154118637","C=CCCCCC/C=C\\CC#CC#CC#CC"]
["23349450","[CH-]=CC.[CH-]=CC.[Cd+2]"]
["193989512","[2H]P(Br)CSBr"]
["185546993","CCC(C)(C)SBr"]
["53724659","NC(CBr)CBr"]
["175318618","O.[2H]P([O])[O].[Na+]"]
["195861369","CCSCCSBr"]
["79900799","BCSBr"]
["172515004","[2H]P(C[3H])PCS"]
["164249490","BrPSPBr"]
["79937225","CCOC(=S)N(C/C=C/Cl)C/C=C/Cl"]
["91185065","N#CPBr"]
["182543391","CC[NH+](CC)PBr"]
["175518164","FSSBr"]
["103024795","NO[S+]([O])(=O)N([S+]([O])(=O)ON)[S+]([O])(=O)ON"]
["46455163","NO[Si](=O)[O-].[Mg+2]"]
["96905304","[O][S+](=O)(O[Si]12CCP(CC1)CC2)C(F)(F)F"]
["165781602","C[N+](C)(C)[C@@H](CS)C(=O)O"]
["183558425","[N-]=[N+]=NC(=O)OC(=N)N"]
["101598079","CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)[S+]([O])(=O)ON"]
["166869105","NO[Si](=O)O.[Ca+2]"]
["162147777","CCONC(O)=NC(=O)N(C)C"]
["176567672","CN(C)CC(=O)ON.Cl"]
["79651011","Cl.NOS(=O)(=O)O"]
["176443219","CC(C)(C)O[S+](C)(C)=O"]
["110929440","NO[S+]([O])(=O)c1cc([N+](=O)[O-])ccc1N"]
["97947476","C1=C[P]C=CP=1"]
["75146091","Nc1[c]scc1N"]
["195993460","C[C@H]1CC=C=P1"]
["25136390","C[C]1C=C=PP1"]
["161760803","C1=C[P]PP=1.[Sn]"]
["100566783","C1=C[P]C=CN=1"]
["175850649","C1=CC(C2=PC=C2)=P1"]
["26442895","S=c1ccc(=S)c2c(=S)ccc(=S)c1=2"]
["145703303","c1cc2ccc1=NN=NN=2"]
["25247961","C1=CP[P]P=1"]
["97402567","C1=PC=CC2=CC=CC=P=12"]
["145176385","CC=C(c1cc(O)cc(O)c1)c1cc(O)cc(O)c1"]
["168441541","[Se-]C([Se-])C([Se-])([Se-])[c+]1[cH+][cH+]c[s+]1"]
["150101924","CCC(C)(C)C(C)C(C)C(C)CC(C)C(C)C(C)C(C)C"]
["188923677","CC(Cl)C(Cl)(Cl)CC(F)(F)F"]
["99368501","[B+]=C1C=CC([C@H](C)[NH-])C=C1"]
["174367903","CC(C)c1cccc(C(C)(C)N=C=NC(C)(C)c2cccc(C(C)C)c2)c1"]
["169712326","Cc1cc(C)cc(POC(C)C)c1.Cl"]
["103280730","CC(C)[C@@H](CN)c1ccc(C(C)(C)C)cc1"]
["105147480","C[C@H](Br)C(O)=NC(C)(C)c1cccs1"]
["105140090","C[C@@H](Cl)C(O)=NC(C)(C)c1cccs1"]
["101021347","C[C@H](C1C=CC(I)=C1)N(C)C"]
["168441540","[Se-]C([Se-])C([Se-])([Se-])[c+]1[cH+]c[s+][cH+]1"]
["199791818","Cc1cc(C)cc(POC(C)C)c1"]
["179682285","CSCCC1(C2OC2SC(C)C)C2C3=C4C15c1c6c7c8c9c1[N+]4(C=C9CC8=CC1C=C4C=C8CCC25C8=C6C4C71)C3"]
["164244767","CSCO[C@@H]1[C@@]2(C(C)C)O[C@H]2[C@@H]2O[C@@]23[C@@]2(C)CCC4=C(COC4=O)[C@@H]2C2C[C@@]13O2"]
["154155219","CC1=C[C@@H]2[C@@H](CC1)[C@@H](C)CC[C@]2(O)C(C)C"]
["90649511","CC1CC2(CO[Si](C(C)C)(C(C)C)C(C)C)CCC3C(C)C4(CCC3(C)C2=CC1=O)OC(C)C(C)O4"]
["173761732","COC(=O)C(C)CCC1(c2c(C)c(-c3c(C)c(C)c(-c4c(C)c(C)cc5ccccc45)c4ccccc34)c(C)c(-c3c(C)c(C)c(-c4c(C)c(C)cc5ccccc45)c4ccccc34)c2C)C23C=C4CC5=CC6CC7CC8CC9CC%10=CC(C2)C2C%11=C%12C%13C(C%102)C9C2C8C7C7C6C6C5C4C(C%12C6C7C%132)C%1131"]
["90586369","CSCCC12CCC3(CC1(O)CCC1C4CCC5(OCCO5)C4(C)CCC12)OCCO3"]
["172272686","CC(C)C1=[C-]CC(C(C)C)C2CCC(CCCCC3(C)C4=C(CC3C)C(C(C)C)CC=C4C(C)C)=C12.[Zr]"]
["150209381","COC(=O)CCCC1(c2ccccc2)C23C4=C5C6=C7C8C=CC9=C%10C=CC%11C%12C=C%13CC%14=CC%15C=C%16C%17=CC8C6C6C8C%18=c%19c(c%14c%13c(c%19=C2C58)C%12C31C%11C%10C4C97)C%15C%18C%16C%176"]
["180764443","CCSC1(C2CCCC(O)C2)OOC12C(C)C=C1CCCC2C1"]
["169902729","CCCCC(C)C(O)=Nc1cc2c(cc1C1C(O)C(c3cc4c(cc3N=C(O)[C@@H](C)CCCC)N(C)C(C)C4(C)C)C1O)C(C)(C)C(C)N2C"]
["77493001","CSCCN(C)C(=O)C[C@@H]1CC2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](N=C(O)/C=C\\[C@H](C)OC(C)=O)C[C@@H]2C)O1"]
["99874446","CO[C@H]1C=C(CC[C@H]2/C(=C/OS(=O)(=O)[O-])CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)[C@@H](OC)O1"]
["174085669","[B+]=P1(C(C)(C)C)[N-]C(C)C(C)(C)P2=NC(C)(C)C(C)(C)P(O)(=NC(C)(C)O)OP(S)(=NC(C)(C)C)C(C)(C)C(C)(C)[N-]P(=[B+])([O+]=2)C(C)(C)C(C)N=[P+](C(C)(C)C)O1"]
["183736603","CC(C)Nc1cc(S)ncc1C(O)=NC[C@@H](F)C(C)(C)O"]
["198907789","CCc1onc(C)c1CN1C[C@@H](CN=C(O)[C@@H](N=C(C)O)C(C)(C)C)[C@H](C)C1"]
["100764751","CC(C)Nc1cc(-n2ncc3cncnc32)ncc1C(O)=NCC(F)C(C)(C)O"]
["175461956","CCCC.CS.Cc1nc(C2OC3(CCOCC3C)c3c4c(nc(C(C)C)c32)CC(C)(C)CC4O)sc1C(C)(C)C"]
["82419891","CC(F)c1cnc(C(O)=Nc2ccc(F)c(C34COC(C)C3C(C(F)(F)F)OC(=N)N4)c2)cn1"]
["194751534","Cc1ccc2c(oc3ncccc32)c1N1C(C(C)(C)C)SC(C(C)C)[C@@H]1C"]
["90391413","CC1CN(C(C)C(O)=[NH+]C(O)=NC(C)(C)C)CC(C)O1"]
["29239132","CC1S[C@@H](N(C(=O)O)C(C)(C)C)N[C@@]2(c3cc(N=C(O)c4cnc(C(F)F)cn4)ccc3F)COCC[C@@H]12"]
["4079283","CC(C)(C)CC(O)=Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@]1(C)[C@@H]2CC(O)=Nc1cccc(O)c1"]
["172982709","CC1C(S#C[C@H](NS)C(N)O)CC(=O)N1CCCCCC(O)=N/N=C1\\CCC2C3CCC4=C(C=CC(O)C4)C3CCC12C"]
["CSSS20621766790","CC1=C(C(O)=NC2(C)CN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3C(C)C)C2)C(C)n2ncnc2N1C"]
["180963353","COP(C)C1CCC(C2CCC(P(O)[OH2+])CCC2[OH2+])CC1"]
["26827837","CCCCCC1CCC(C2CCC(CCCC)CC2C)CC1"]
["171400880","C/C=C1/[C@H]2C[C@H]2[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(COC)CC[C@@H]4[C@H]3CC[C@]12C"]
["28694526","CC1=C(Nc2ccc(F)cc2O[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccsc2CN1C(=O)O"]
["96958592","C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1O"]
["162894366","COCC(O)=NC1CCC2CC21"]
["96288409","COCCNS(=O)(=O)NC(C(=O)O)C1CC1"]
["52231446","COC(=O)[C@@H]1[C@H]2CC[C@H]([C@H](Cl)[C@H]2Cl)[C@@H]1C(=O)OC"]
["17065489","CN(C)C(O)=N[C@@H]1CC[C@H]2[C@H]3CC[C@H](C3)[C@@H]21"]
["82282785","CCCCCC1CCC(C2CCC(CCC3CCC(C4CCC(CCC)[C@H](F)C4F)CC3)C(F)C2F)CC1"]
["141689666","CC1CCCCC1N=C(O)CN1CC2CCC(N=C(O)OC(C)(C)C)C2C1"]
["176660532","CO[C@@H]1CC2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@H]23)C2CC[C@H](C(=O)CBr)[C@]21C"]
["179438149","BrI=c1ccc2[n-]c3c(c2[cH-]1)=CCCC=3.[Al+]"]
["174061636","[B+]C([B+])(C1=C=C(c2ccc3ccc4c5c6c(c7c(n6c4c3c2)=CCCC=7)[CH-][CH-]C=5)[N-][C-]=C1C([B+])([B+])C(C)(C)C)C(C)(C)C"]
["174750589","FC1=c2cccc(S)c2=CCC1"]
["184371558","CI=c1ccc2[nH]ccc(=O)c2[cH-]1"]
["51550987","Cc1ncnc2c1=CCCC=2"]
["174062464","[B+]C([B+])(C1=C=C(C2=C[CH-][CH-]c3c2oc2c4c(ccc32)=CCCC=4)[N-][C-]=C1C([B+])([B+])S(C)(C)C)C(C)(C)C"]
["186539105","BrC1=c2[nH]c3c(Br)cccc3c2=CCC1"]
["172868631","C1=[C-][C-]=[C-]C=1P1C=c2ccc3c(c2=c2c(ccc4c2=CCCC=4)=C1)=CCCC=3.C1=[C-][C-]=[C-]C=1p1cc2ccc3c[cH-][cH-]cc3c2c2c(ccc3c[cH-][cH-]cc32)c1.[Fe+2]"]
["42768284","Cc1occc1C(O)C1=CCCCC1"]
["175544287","Brc1ccc(-c2cccc3c4c(sc23)=CCCC=4)cc1.C.CC"]
["178277152","Brc1ccccc1C1=CCCc2[nH]c3c(c21)=CCCC=3"]
["34436482","Brc1c(C2=CCCCC2)[se]c2ccccc12"]
["194781901","C1O[C@H]2CNC[C@H]2C2=C1NPN2"]
["197481941","O=C(O)C1CNCC1c1c(F)c(F)c(F)c(F)c1F"]
["162116055","N#CC1CNCC1c1ccc(O)cn1"]
["21715640","C1COC(C2=NOCC2)CN1"]
["107678407","O=C(O)[C@@H]1CCNC[C@@H]1c1cccc(O)c1"]
["185192723","Clc1ccc(C2CNCO2)cc1Cl"]
["159115949","CO[C@@H]1CNC[C@H]1c1nc(C)no1"]
["27633381","Clc1c(Br)ccc2c1COC1CCNCC21"]
["144724158","OC1=NCC(C2CCCCN2)OC1"]
["68002528","CC(C)C(=O)Nc1ccc(NC(=O)C2CNC2)cc1"]
["192439075","c1ccc(SC2(Sc3ccccc3)CCOC3CNCC32)cc1"]
["155060739","Cn1cccc1[C@@H]1CNC[C@H]1CF"]
["178648435","[B+]=C1[C-]=C(F)C([C-]2SCCCS2=C)=C(F)C1"]
["149803692","[B+]=C1[C-]=C(F)C(N=C(O)CC(=O)OCC)=C(F)C1"]
["99746925","[B+]=C1[C-]=C(C=O)C=C(Br)C1"]
["99737367","[B+]=C1[C-]=C2CCN(S)C2=NC1"]
["31153769","N=c1sc2cc(C(F)(F)F)cc3c2n1CCCS3=O"]
["198306553","C=C1/C=C\\C(C)=C(\\F)CSCCCC1=O"]
["86968213","NCc1cc(S(=O)(=O)N2CCCCCC2)cc(F)c1Cl"]
["176107046","[B+]=C1[C-]=C(OCC)C(C)=C(C(=O)CC)C1"]
["99762727","[B+]=C1[C-]=C(C)[C-](O)C(=[B+])C1"]
["195667728","[B+]=C1[C-]=C(I)C(C)=C(Br)C1"]
["44460563","[B+]=C1[C-]=C(C)C(F)=NC1"]
["184248433","[B+]=C1[C-]=C(c2cc(Br)cc(Br)c2)C=C(Br)C1"]
["154699941","C1=CC=N[C]2C=1Sc1nccn12"]
["34491401","Cc1nccn1-c1ccc(Sc2ccc(C3(C(=N)O)CCOCC3)cc2)cc1"]
["25464767","O=c1ccnc2n1CCS2"]
["165479901","Cc1nccn1-c1ccc(CNc2ccccc2S(=O)(=O)C(F)F)cc1F"]
["74688266","C1=CC(n2ccnc2-c2ccccc2)=N[N]1"]
["164172955","Nc1csc2c1ccc1nccn12"]
["57591894","CCc1nc(Cn2ccnc2C(C)C)cs1"]
["199610875","Cc1nccn1-c1ccc(NCc2cnc(Cl)s2)cc1Cl"]
["61551829","CCc1nccn1-c1ccnc2ccccc12"]
["139590256","Cc1nc(C(O)=NC(C)c2ccc(-n3ccnc3C)cc2)c(C)s1"]
["44602442","Cc1ccccc1C(CN)Sc1ncccc1Cl"]
["86666273","CC(C)NCc1ccc(-n2ccnc2C#N)c(Cl)c1"]
["79518544","N=C([O-])c1ccc2c(c1)C=[S+][N+]2([O-])O"]
["183934319","N=C([O-])Nc1nccs1"]
["10773066","N=C(O)c1ccnc(N2CCSCC2)c1"]
["58418931","N=C(S)c1ccc2c[nH]nc2c1"]
["163251669","CC(C)c1cc(C(=N)O)ccc1Br"]
["84547941","N=C(O)c1ccc(NCC(C2CC2)C2CC2)nc1"]
["67456157","N=C(NO)c1ccc(CNC2CCC2)c(F)c1"]
["10324851","COc1ccc(C(=O)[O-])cc1I"]
["95823106","COc1ccccc1OCc1ccc(C(=N)NO)cc1Cl"]
["181442041","CCOCc1ccc(OC)c(C(=N)[O-])c1"]
["53440513","COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(F)c(C(=N)[O-])c2)c1"]
["9576073","Nc1ccc(C(=O)[O-])cc1Br"]
["97161434","C1CCC(P2(C3CCCCC3)=P[P+](C3CCCCC3)(C3CCCCC3)CCCC2)CC1"]
["185422629","c1cc(OC2CCCCC2)ccc1NC1CCCCC1"]
["96289821","CC(C)CCC(=O)C1CCCCCC1N"]
["181571113","CCOC(=O)N1CCC(C2CCCCC2)CC1"]
["53934863","NS(=O)(=O)c1ccc(NC2CCCCC2)c(F)c1"]
["57482076","C1CCC2CCCCC2C1.CCCC"]
["24541129","O=[N+]([O-])c1cc(Br)cnc1NC1CCCCC1"]
["197383510","Cl.Cl.NCc1cn(C2CCCCC2)nn1"]
["168732530","Br.C1CCCC(C2CCCCCCC2)CCC1"]
["174615879","C1CCC(N2CCNCC2)CC1.CI"]
["101068834","O=S1CCCSC1C(C1CCCCC1)C(F)(F)F"]
["168723422","O=C(O)N1CCC(C2CCCCC2)CC1"]
["173828323","B1=BSc2c(sc3bbbbc23)B=B1"]
["173756948","[B+]=[B-]1B=Bc2c1oc1bbbbc21"]
["149593063","b1bbc2c(b1)sc1bbbbc12"]
["173958045","[B]=Bc1sc2bbbbc2c1B=BC"]
["196475808","CC(C)c1nbc2bbbbc2n1"]
["161248584","b1bbc2bc3bc4c(bbc5bbbbc54)bc3bc2b1"]
["32070494","[B]1c2bbbbbbbbc21"]
["164033988","BB=Bc1c(B)oc2bbbbc12"]
["189091683","O=c1c2bbbbc2c(O)nn1O"]
["173739175","Cc1c2bbbbc2nc2bbbbc12"]
["161248583","b1bbc2c(b1)bbc1bc3c(bbc4bbbbc43)bc12"]
["196475812","CC(C)c1nbc2c3bbbbc3c3bbbbc3c2n1"]
["184222869","CCN(CC)c1ccc(N=NC2=CC=II(CCC[n+]3ccc(C=NN(C)c4c#cccc4)cc3)C=C2)cc1"]
["153995586","CCN(CC)c1ccc(/C=C(N=C(O)c2ccccc2)\\C(O)=N/N=C\\c2c(C)c(Br)c(O)c(Br)c2O)cc1"]
["MCULE-8061793487","CCN(CC)c1ccc(N=C(O)c2cc3c(N4CCN(CCO)CC4)ncnc3n2CC)cc1"]
["159472585","CCN(CC)c1ccc(NC(S)=Nc2cccc(N(C)C)c2)cc1"]
["61055685","[C-]#C[C+]=C1C=CC=CC1N(C)C(=O)c1cc2ccc3c4cc(Cl)ccc4[nH]c3c2c(N=Nc2ccc(N(c3ccccc3)c3ccc(N=Nc4c(C)c(C(=O)N(C)c5ccccc5CC)cc5ccc6c7cc(Cl)ccc7[nH]c6c45)cc3)cc2)c1OC"]
["64209015","CCN(CC)c1ccc(N=Cc2cc(F)c(N3CCCC3)cc2C)cc1"]
["MCULE-7041271500","C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(N(CC)CC)cc1"]
["178869220","CCN(CCOC(C)=O)c1ccc(N=Nc2ccc(O)cc2Cl)cc1"]
["83022665","CCN(CC)c1ccc(C=NN(c2ccccc2)c2ccccc2)c(OCC(C)CN(N=Cc2ccc3c(c2)c2ccccc2n3CC)c2ccccc2)c1"]
["MCULE-3576189417","C=CCOc1ccccc1OCC(=O)Nc1ccc(N(CC)CC)cc1"]
["70234304","CCN(CC)c1ccc(C(=CC=C(C)c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1"]
["2223839","CCN(CC)c1ccc(/C=N/c2ccccc2C#N)cc1"]
["99635312","NC(=BCCCC[B+]C(N)=C(c1cccc(CC(Cl)(Cl)Cl)c1)c1cccc(CC(Cl)(Cl)Cl)c1)C(c1cccc([CH-]C(Cl)(Cl)Cl)c1)c1cccc(CC(Cl)(Cl)Cl)c1"]
["173077166","C.CCCC(O)CC(=O)CC(CC)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1.CCc1ccccc1"]
["70153776","CCCC(CCC)S(=O)(=O)CC(N=C(O)c1ccc2cc[nH]c2c1)C(=O)N(Cc1cccc(CC)c1)CC(O)C(N)Cc1cc(F)cc(F)c1"]
["34691285","CC(=O)c1cccc(CN2C(C(=O)O)Nc3cc(Cl)cc(Cl)c3S2(=O)=O)c1"]
["30707958","Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2cc(C(=N)O)ccc21.O=C(O)C(F)(F)F"]
["129844672","CC1CC(N=C(O)c2cccc(CS(C)(=O)=O)c2)CC(C)O1"]
["198787410","CNc1cccc(C(=O)Cc2cccc([C@H](C)Sc3nncn3C)c2)c1"]
["130304212","Cc1ccc(CC(NCCc2cccc(C(=O)N(C)C)c2)C2CC2)cc1"]
["3560873","COc1ccc(N=C([O-])C[C@H](C(=O)O)c2ccccc2)c(Cl)c1"]
["172722757","COc1cc(Cl)c(Cl)cc1C(C(=O)c1ccccc1)c1ccccc1"]
["60610115","CC(C)Sc1cccc(C(=O)N=c2sc3ccccc3n2C)c1"]
["174906459","CCc1cccc(C(C(C)=O)c2ccc(O)cc2)c1"]
["181730184","CC#COC(C#CN(OC#CCC)C(SC#CCC)(SC#CC(CC(NC=CC)(SC=CCC)SC=CCCC)(OC=CCCC)SC=CC)C(C#CN=[N+]=[N-])(OC#CCCC)SC#CC)(NC=CCC)NC=CCCC"]
["181175854","CC#COC1(OC#CCC)C(N=[N+]=[N-])(OC#CCCCCCCCCCC)C(OC#CCCCCCCCC)(OC#CCCCCCCCCC)C(OC#CCCCCCC)(OC#CCCCCCCC)C(C)(OC#CCCCCC)C1(OC#CCCC)OC#CCCCC"]
["181482992","C=CSSC=CC(C=CC)(CS#[N+]N=[N-])SC=CCC"]
["183696432","CC=COC(C=COC(N=[N+]=[N-])(OC=CCCC)OC=CCCCCCC)OC=CCC"]
["182551615","CC=CONC(CCC=CON(N)C#CN=[N+]=[N-])(NC=CCCC)OC=CCC"]
["181706679","C#CC(SC#CCC)C(SC#CC)(SC#CCC)C(SC#CC)(SC#CCC)SC(CC#CC#CS#[N+]N=[N-])SC#CCCCC"]
["181500300","CC=CNC(OC(=O)N=[N+]=[N-])=C(OC=CCC)C(N)(N=CCCC(=CCC)OC=CC)NC=CCC"]
["183934842","CCCC#COC(C#CC(C)(C)C)ON=[N+]=[N-]"]
["183791568","CCC#COC(C)(OC=CCCC)C(CC(C)N=[N+]=[N-])OC=CCCCC"]
["182392914","CC=COC(C#CN=[N+]=[N-])(OC=CCC)OC(C)(C)C"]
["181060782","CC=CNC(ON(N=[N+]=[N-])N(OC=CC)OC=CCC)=C(SC=CCCC)C(SC=CC)(SC=CCC)C(OC=CCC)(OC=CCCC)C(NC=CCC)(NC=CCCC)NOC=CC"]
["182858001","CC#CSc1c(N=[N+]=[N-])c(NC)c(N(C)C)c(SC=CC)c1SC=CCC"]
["57016042","CC(=O)O/C=C/C(=C/OC(C)=O)CC/C=C(/CC/C=C(\\C)CCC=C(C)C)COC(C)=O"]
["171714403","CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC/C(C)=C/CCC(C)=CCC/C(C)=C/CCl"]
["69676894","CC(=CCCC1=CC(=O)OC1O)CCC=C(C)CCC1=C(C)C(=O)CCC1(C)C"]
["161828559","CCOC(CC=CC=C(C)CCC=C(C)C)OCC"]
["50365459","C=CCCC(F)(F)C[C@@H]1C[C@@]1(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C"]
["33842597","COc1cc2c(c(OC)c1CC=C(C)C)C(=O)CC(c1ccc(OC)c(OC)c1C/C=C(\\C)CCC=C(C)C)O2"]
["97316023","CCC1=C(C)c2cc3[nH]c(c(C)c4nc(c5c6[nH]c(cc1n2)c(CC)c6C(=O)C5)[C@@H](CCC(=O)OC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)[C@@H]4C)c(C)c3C(C)O"]
["57307608","CC(=O)OCC(C)=Cc1ccc(Br)cc1"]
["7737160","CC/C=C(/C)C(=O)OCCCN=C(C)O"]
["161735897","CC(=O)c1ccc(N(C/C=C(\\C)CCC=C(C)C)C(=O)C(F)(F)F)cc1"]
["78176034","CC(=O)OC(C)=O.CCOC(O)O"]
["184990844","CN=c1[nH]c(N(CC=C(C)CCC=C(C)C)c2ccc(OC)cc2)nc2ccccc12"]
["58079208","[CH2+]C#CC([CH2+])([CH2-])[O-]"]
["97393926","CCSC(C)C#CC(C)(C)C"]
["78198169","[CH2+]C(C)([O-])N(C)C"]
["99655093","CC(C)(C)[O-].CCCC.[Li+]"]
["56490800","CC(C)(C)[O-].[W].[Y]"]
["194616678","CCCC#CC(F)(CC)C(C)C"]
["192912592","C=C.CC(C)(C)[O-]"]
["79512966","[CH2]C([CH2-])([CH2-])C.[CH2]CC.[Mg+2]"]
["26502193","[CH2+]C(C)(C)C(=O)[O-]"]
["172634070","CCCN(CC[O-])CC(C)(C)[O-].CCCN(CC[O-])CC(C)(C)[O-].[Sn+4]"]
["79374190","[CH2-]C(C)(C)C(=O)[O-].[Mg+2]"]
["78629341","[CH2+]C([CH2-])(C)F"]
["174005763","C[B]/C=C/SC"]
["179711239","CNC1=C(/C=C\\SC)CNCC1"]
["50349652","C[B]CO"]
["173134720","CSS.[B]"]
["163029699","C#CCOC(=O)/C=C/SC"]
["95413935","CS/C=C/C(O)=NCC(=O)O"]
["5298140","C/C=C/SSC"]
["173387047","CCCCC=CSCC"]
["83525361","CSC=CCC(C)(O)c1ccccc1"]
["199333761","CS[B]c1ccnc(C)c1"]
["187134036","C[B]c1ncc(SC)s1"]
["83525857","CSC=C(C)CC(C)(C)O"]
["193415597","C[B+]S(C)(COCC)OCOCS(C)(C)#[B-]C"]
["167004876","CCOc1c(COC)c[nH]c(=N)c1Br"]
["78466764","CCCCCOCCOS(C)(=O)=O"]
["98975612","CCOCC(O)OOC"]
["195438563","CCOCOC(=O)C1CC2CC(OC(C)=O)=C1C2"]
["174896371","CCOCCl.N"]
["61612850","CCOCCS(=O)(=O)NC(C)C(OC)OC"]
["179796577","CCOC[I+]N(C)C([O-])C(CC)N(C)NC"]
["99201134","CCC/C=C/CCCOS(C)(=O)=O"]
["163016443","CCON(C)S(=O)(=O)CC#N"]
["49361707","CCOCCCC(N)O"]
["181107733","CCO[Si](OC)(OC)S(=O)(=O)O"]
["173909810","[B]NC1=C(OO)[CH-][CH-]c2c1c1ccc(OO)c(N[B+])c1c1ccc(OO)c(N[B+])c21"]
["110621223","COC(=O)[C@H]1CN(C(=O)c2ccc(OC)c3ccccc23)C[C@@H]1c1ccsc1"]
["148338967","COc1ccc(C(=O)NC(CC(F)F)C(=O)O)c2ccccc12"]
["142694978","COc1ccc(CN=C(O)Nc2ccc3oc(C)c(C)c3c2)c(OC)c1OC"]
["MCULE-7946925943","COC(=O)c1cc([N+](=O)[O-])c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(F)c1F"]
["120644879","COc1ccc(CNC(=O)O)c(Cl)c1Cl"]
["MCULE-5434719277","COC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Cl)c(C)c2)cc1=O"]
["159057252","COC(=O)Cc1ccc(Cl)c(N)c1OC(F)(F)F"]
["171296672","C#Cc1ccc(C#C)c2c(-c3c(OC)ccc4c(C#C)ccc(C#C)c34)c(OC)ccc12"]
["159411449","C=CNCCCCOC(=O)c1c[nH]c2cccc(Cl)c12"]
["166707645","COC(=O)CCc1ccc(O)cc1C(F)F"]
["45034664","COc1ccc(C(=O)C(=O)O)c(OC)c1OC"]
["110613257","S[B-]1=B[C@H]2[B][C@H](B=B[B+]B=B2)B=B1"]
["165828230","S[B-]1=BC2[B]C(B=B[B+]B=B2)B=B1"]
["161649880","B1=BC(C2B=B[B+]B=B2)B=[B-]=B1"]
["169814074","B1=BC2B=BC(B=B[B+]1)B=[B-]=B2"]
["112665099","CCCC1CC1NC(C)C(F)F"]
["168465305","[B]1C2[B]C3[B]C1[B]C([B]2)[B]3"]
["161700823","B1=BC2B=B[B+]C(B=B1)B=[B-]=B2"]
["112665484","CCCC1CC1NC(CC)c1ccc(Cl)c(Cl)c1"]
["169814072","B1=B[B+]B=BC2B=[B-]=BC2B=B1"]
["184745815","B1=BC(C2B=B[B+]B=B2)B=[B-]=B1.Cl"]
["68208537","[B]1B=BB=BB=BB=BC2B=[B-]12"]
["148975933","[3H]CC#CC#CC#CC([3H])(B)B"]
["101741199","C#CC#CC#CC#CC#CC#CC#CC#CC#COC(=O)C(C)CCC(C)C#CC#CC#CC"]
["171970622","CC#CC#CC#C[CH-]F"]
["151984246","C/C=C/C=C/[C@@H](O)C#CC#CC#Cc1cc[nH]n1"]
["33951759","C#CC#CC#CC#CC(C)OC(C)=O"]
["200308373","[3H]CC#CO"]
["53389557","C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC"]
["180977011","CC#CC(N=[N+]=[N-])C(C)(C)Cl"]
["91081328","CC#CC#CC#C[C+]=[C+]C"]
["62638501","C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC"]
["78611533","CC#CC#C[O]"]
["78678701","C#CC#CC#CC#CC#CC#CC#C[C@@H](C)C(O)=N[C@@H](C)C(C)=O"]
["79086314","C1C[Si]2(CC2)O[SiH2]1"]
["79025896","CC1(C)C[SiH2]O[Si]1(C)C.Cc1o[si](C)[si](C)c1C"]
["150604608","C1CC[SiH2]OC1.C=C(CC(=C)C(=N)O)C(=N)O"]
["79573578","C1CC[SiH2]OC1.N=C=O"]
["66446193","OC1(c2ncc[nH]2)OCCO1"]
["170526164","C[Si](C)(C)[Si]1([Si](C)(C)C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)CC1.C[Si](C)(C)[Si]1([Si](C)(C)C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)CC1"]
["79966909","CCN1CO[Si](C)(CC(C)(C)CN2[SiH2]CC[Si]2(C)C)OC1"]
["79530397","[SiH3][SiH]1O[SiH2][GeH2]1"]
["91540792","C=C[Si]1(C)CCO1"]
["185721809","C1CO[SiH2]CCO1"]
["170875521","CS(=O)(=O)O[C@H]1CNCO1"]
["175104830","NC1CCC[SiH2]O1"]
["178906379","NSB(SN)SB(SB(SN)SN)I=[B-](SB(SN)SN)SB(SN)SN"]
["163542490","NBB(SN)SN"]
["173724587","NSB(SN)SB([B]B(SB(SN)SN)SB(SN)SN)SB(SN)SN"]
["180913614","CI=[B-](SN)SN"]
["170451947","CB(C)SN"]
["195599487","NS[B-](SN)=IN"]
["166772091","CSSB(C)SN"]
["188194962","NBB(BB(SN)SN)SN"]
["173724580","NSB([B]B(SN)SN)SN"]
["173724596","N[B]B(SN)SN"]
["168917378","CC(CCSN)N(C)C"]
["173989487","N[B+][B-](=BB(SN)SN)SN"]
["178149389","ClO[C-]1CCCC[C-](I)CCC1.[CH3-].[Mn+3]"]
["193256065","C[C-]1CCCC1.C[C-]1CCCC1.[Mg+2]"]
["100364682","[O+]#CO[C-]1CCC1"]
["144945521","COc1cc(C2(N)CCC2)cc(C(=O)O)c1OC"]
["195370194","CC1([I+]I)C(O)=N[C-]2SCCC[C-]21"]
["99356249","C[C-]1CCCCC1.[Cl-].[Mg+2]"]
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["189995779","CCN1N(CC)[Si](CC)[Si](CC)(CC)[Si](CC)(CC)N1CC"]
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["83978954","CSSC(C)(C)SC"]
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["78425914","[SiH]1=[SiH][SiH2][SiH2][SiH2]1"]
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["150090829","OCC1N=C(O)C2C(CF)C12"]
["73655862","FC[N+]1=C=NC(C(F)(F)F)[CH-]1"]
["178941206","OCCC1=CCC[C@@H](CF)C1"]
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["73985559","O=C1C(CF)=C=NC1CF"]
["82225016","FCC1=NOC(CCl)C1"]
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["172177376","N[Cl+]CC1=C=NC(C(F)(F)F)[N-][CH-]1"]
["174109853","[O-]CC1N=C=CS1.[Y]"]
["172634305","CC1(C)OCC(CF)N1C(=O)C(F)F"]
["173078997","[CH2+]C=CC=[C-]P.[W]"]
["161679397","[CH2+]C=[C-]CC.[Rh]"]
["65321633","[C-]/C=C\\C=[CH-].[W].[Y]"]
["50695926","C=[C-]CCCC=CCCC=C[CH2+].[Cl-].[Ru+4]"]
["79517605","[CH-]/C=C/CC=C[CH2+]"]
["161725605","C[C-]=CC.[CH-]=C[CH2+].[Co]"]
["185012777","CC=CC=[C-]CC.CC=CC=[C-]CC.[Ni+2]"]
["191002644","F.[CH2+]C=[Si-]"]
["173037909","[CH2+]C=[Si-].[HH]"]
["51368319","[2H]C([CH2+])=O"]
["173479906","C/C=C\\[C-]=C\\C=C\\C.[Br-].[Mg+2]"]
["100853175","[CH2+]/C=C\\C=C=CC"]
["175461311","[B+]=C(CC)CCC[C-]1[N-][N-][C+](N)N1.[Cr]"]
["173506023","[B+]=C1C=CC=C(C(=O)CC)[N-]1"]
["78157012","C=C(CC)CCCCC(=C)CCCCCC"]
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["173612158","ON=CON=C(C=NO)C([SiH3])=NO"]
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["43578276","[O-]O[N-]OO[N-]ONONOO[N-]O[O-]"]
["172562946","[CH2+]CCNCC[CH2-].[CH2]CONOO[O-].[Sn+]"]
["99741818","CCCNC(=N)O.CCO[Si](OCC)OCC"]
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["194602989","[O-]ONO[O-]"]
["99345705","CCO[Si](OCC)OCC.CNCCCCCCN"]
["195856714","CNONONONONONC"]
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["43178430","OONOONONONOONOO"]
["57554898","OONONONOO"]
["45563046","CCSN(SCC)C(O)=NC(=N)OC"]
["172567087","C1CCCN(C2(N3CCCCCN3)CCCCCCN2N2CCCCNN2)CC1"]
["95282272","N#CC1(N2CCCCCC2)CCCCC1c1ccccc1"]
["58871891","N#CC1(N2CCNCC2)CCCCCCCCCCC1"]
["68688111","N#CC1(N2CCCCC2)CCCSC1"]
["172318584","C1CCC2(CC1)CCNNN2.Cl"]
["185092056","S=C([S-])N1CC2CCC(N3CCCCCC3)(CC2)C1"]
["181363213","[N-]=[N+]=NN1CCNC(C2NCCO2)(N2CC=CN2)C1(N1CCCCC1)N1CCNC1"]
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["172310541","C1CC2CC[Se]([Se][Se]1)[Se][Se]2"]
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["176367750","Clc1cc(Cl)c(C2CCC[Se][Se]2)c(Cl)c1"]
["184714973","C[C@H]1CC[Se][Se]C1"]
["187230563","N#CC1[C@H]2CCNCC[C@@H]12"]
["159119759","C[C@@H]1CCNC[C@@]1(CO)C(=O)O"]
["54770635","O=C(O)c1coc(CS(=O)(=O)C2CCCC2)c1"]
["91575931","CC(C)N(C(C)C)P1OCC[Se]1"]
["170679944","F[Te]N=S=NN(N=S=N[Te]F)N=S=N[Te]F"]
["195576996","CSN=C(C)OSC"]
["199917715","[B+]=N[C-](O)CCC[C-](O)N=[B+]"]
["48498139","CCSC(=Nc1ccc(CC)cc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.I"]
["44955479","CCc1ccc(N=C(C)S)cc1"]
["145379988","CS#CN=S"]
["160030343","CSC.FB(F)F.FN(F)F"]
["78195764","CS/N=C(\\C)N(SC)SC"]
["63148296","CCSC(=Nc1ccc(CC)cc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1"]
["93922633","CN=c1nc(N(C)Cc2csc(Br)c2)cc(C(F)(F)F)[nH]1"]
["99661201","CSN=C(C)N(SC)SC"]
["25781298","CC(O)=NSN(C)C"]
["150428072","C1=c2ccc([nH]2)=Cc2ccc([nH]2)C=c2[nH]c(c3c[nH]cc23)=Cc2ccc1[nH]2"]
["79603114","S=C=N[C@H]1c2ccc([nH]2)/C=C2/CCC(=N2)/C=c2/cc/c([nH]2)=C/C2=N[C@]1(N=C=S)CC2"]
["49917547","Cc1cccc2c1C1(CN(CCCCl)S2(=O)=O)SCCS1"]
["170200150","CC1=Cc2cccc(C)c2SN=C1"]
["173614556","C1=c2[nH]c(c3cnccc23)=Cc2[nH]c(c3cnccc23)C=c2[nH]c(c3cnccc23)=Cc2nc1c1cc[nH]cc2-1"]
["174540082","O=C1C(=O)C2=NC1=Cc1ccc([nH]1)C=c1ccc([nH]1)=CC1=C(c3ccccc3)C(=O)C(=C2O)N1"]
["90149510","CC(C)CC(=O)c1ccc(C(=O)O)[nH]1"]
["200431506","Cn1ccc2c(F)c(-c3c(C(=O)O)c(N)[nH]c(=O)c3C(=O)O)c(F)cc21"]
["145000040","Cn1nc(C(=O)O)cc1-c1ccc2c(ccn2C)c1F"]
["100269004","Cc1ccc(C2=c3ccc([nH]3)=Cc3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=Cc3ccc2[nH]3)cc1"]
["52302707","NCc1cccc2c[nH]cc12"]
["189949629","CC.CC.CN=c1[nH]c2c[nH]c3nccc-3c2n1C"]
["99554953","C[C+](C)C=[Si-]/C=C/P(=O)(O)O"]
["98390437","CCCCC=C(OP(=O)(O)OCC)C(=O)O"]
["182400762","CC=CC(=O)OCCOCCOP(=O)(O)O"]
["79747123","O=P(O)(O)O.[Ag].[Ti]"]
["154694248","CP(O)(=S)OP(=O)(O)O"]
["90499564","CC(C)(C)CCOC=COCCC(C)(C)P(=O)(O)O"]
["174666772","C=C(C)C(=O)OOP(=O)(O)CC.C[N+](C)(C)CCO"]
["173775750","CC(=O)C(=O)OP(=O)(O)O.[H-].[Na+]"]
["56707115","CN(C)P(=O)(O)N(CCCl)CCCl"]
["81870831","C=CCOP(=O)(O)O.Oc1ccccc1.S"]
["162077878","CP(=O)(O)SCCCN"]
["66046649","CCC(CC)(C(CC)(CC)P(=O)(O)O)P(=O)(O)O"]
["181821644","CC#COC1OCCC1OC1OC(N=[N+]=[N-])(OCCC2CCCO2)C(OCC2CCOC2)(OCC2CCCO2)C1(OC1CCOCC1)OC1CCCOC1"]
["123826472","CCOc1ccccc1N=C(O)C(C#N)C(=O)CCC1CCOC1"]
["18129307","NS(=O)(=O)c1c[nH]c(=NCCOC[C@H]2CCOC2)s1"]
["180803260","C1COCC(OC2(OC3CCOCC3)OCCC2OC2CCOC2)C1"]
["116674899","CCN=C(NCCC(O)=NC1CCCC1)NCc1ccc(C)cc1OC1CCOC1"]
["21909480","C=C1N=C2C[C@H](c3cccs3)CC(=O)[C@H]2[C@@H](c2cccc(OC)c2OC)[C@@H]1C(=O)OC[C@H]1CCCO1"]
["119385422","Fc1ccc(OCCCSc2nnc(-c3ccc(F)cc3)n2CC2CCCO2)cc1"]
["73571390","CN(c1ccc(OCC2CCCO2)cc1)c1cc2c(cn1)ncn2C"]
["46436334","CCC(CC)N(CCOC)C(C)CNCC1CCCO1"]
["132777205","Cc1c(CNC(O)=NCCCOC2CCOC2)oc2ccccc12"]
["112879281","CCN(C)CCNCCC1CCCCO1"]
["68722012","COCc1cccc(C(C#N)NCC2CCCO2)c1"]
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["112735897","CCOC1CC(N=c2[nH]ccc(C#N)c2Cl)C1(C)C"]
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["96760985","CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OS(=O)(=O)C(F)(F)F"]
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["45112814","CCCCOC[C@H]1O[C@@H](c2ccc(Cl)c(CC(O)=NN=C(O)C3CC=CO3)c2)[C@H](OCCCC)[C@@H](OCCCC)[C@@H]1OCCCC"]
["82993589","CCCCOCC1OC(c2cc(Cc3cc4ccccc4s3)c(Cl)cc2C)C(OCCCC)C(OCCCC)C1OCCCC"]
["83016243","CCCCOCC1OCC(C)(OC(=O)c2ccccc2)C(OCCCC)C(OCCCC)C1OCCCC"]
["81011754","C=C(C)C(=O)OCC1OC(COC)(OC2OC(CO)C(O)C(O)C2O)C(OC(=O)C(=C)C)C1OC(=O)C(=C)C"]
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["81005403","C=CC(=O)OCC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1OC(=O)C=C"]
["181487155","CC(C)On1pn[pH]n(OC(C)(F)C(F)F)p1OC(C)C"]
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["MCULE-5831289743","Cc1cc(Cn2nc(C)c(CN)c2C(F)F)cc(C)c1O"]
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["91822340","COCCn1ncc(Br)c1C(C)(O)C(C)OC"]
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["MCULE-5882884768","Cc1nn(CCC(C)(C)C)c(Br)c1C(C)C"]
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["57290224","CN1C(C(F)(F)F)=NC(C(F)(F)F)=NP1(F)=N[Si](C)(C)C"]
["121615506","CC(C)C(C)(O)CSc1nnc(C(F)F)n1C"]
["MCULE-5669202761","CC(C)Cc1cc(CCl)n(Cc2ccc(F)c(C(F)(F)F)c2)n1"]
["172792443","CC(C)C(C)(C)OB(O)c1cnn(-c2c(OC(F)F)c(C(F)(F)C(F)(F)F)nn2C)c1"]
["CSSS14948280932","FC(F)Oc1ccc2ccc(Oc3nc(C4CCOC4)ns3)cc2n1"]
["76201684","O=C(OCOc1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2n1)OC1CCCCC1"]
["23149069","Brc1csc(C2CCOCC2)n1"]
["90276129","Cc1cc(C=c2sc(=CC(=O)c3ccco3)nc2O)cc(C)c1OC(F)F"]
["184411091","NC1=C(Cl)C(C(=O)O)NC(c2ccc(OC(F)F)cc2)=C1F"]
["18597834","O=C(C1CCOCC1)N(Cc1ccco1)CC(F)(F)F"]
["59366888","Cc1ccc(OC(C)NC2CCCC(O)C2)cc1"]
["87403428","CCCNC(c1cncc(OC)c1)C1CCOC1"]
["144803236","COC(=O)C(COc1cccc(F)c1)C1CCOC1"]
["9779056","COc1ccc(Cc2sc(N=C(O)[C@H]3COc4ccccc4O3)nc2C)cc1"]
["93336217","OC(Cn1ccc(C(F)(F)F)n1)C1CCOC1"]
["186718500","Nc1ncc(-c2ccc(C3CCOCC3)c([C@H]3CC4(CC4)CN3)c2)cc1-c1ccnc(F)c1"]
["97310014","CC1=C[C-](C)C(=C=c2sc(N(C)C)c3c2=CCC=[C+]3)C(C)=C1"]
["74660624","[CH2-]C1N=C(N(C)C)SC1=C1[C+]=CCC(C)=C1"]
["67598482","CCC1CCC(Nc2cc(C)ccc2C(=O)O)C1C"]
["197383806","CN(C)c1ncc(C(C)(C)CN)s1"]
["172602722","CC1=C(C)[C-](C)C(C)(C)C1=[Si]=C1[C+]=CCC=C1"]
["76223435","CC1=CC(O)=CCC=C1N=N"]
["111695567","CCC1CCC(Nc2nc(NN)nc3sc(C)cc23)C1C"]
["175409308","[C-]=C1CC(C)=[C+]C=C1C.[Y]"]
["174413471","C=C(/C=C1C(=C/C)\\C(C#N)=C(c2ccc(N(C)S(=O)CC)cc2)CN\\1C)OCC"]
["198273292","C/C=C(\\C=C(/C)C1CC1)NC1=C/C(C)=C\\C/C=C\\C=C\\1C"]
["172107247","[CH-]=c1c(C)c2c(n1S(=O)(=O)c1ccc(C)cc1)=CCC=[C+]2.[Rh]"]
["69654346","CC1=CC(=CN(C)O)C(=O)C(C)=C1"]
["90982559","CC(C)SC1=[C+]C1(SC(C)C)SC(C)C.[O-][Cl+3]([O-])([O-])[O-]"]
["162870435","Cc1cc(SC(C)C)c(C#N)cn1"]
["68539743","CC(C)CC1(CC(C)C)OC(=O)N=C1O.[Na+]"]
["88475945","CC(C)Sc1ccc(Br)cc1C(C)N"]
["49163731","CC(C)Sc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O"]
["86398606","CCNc1ncnc(SC(C)C)c1CC"]
["120877911","CC(CC(=O)O)Cc1ccc(SC(C)C)cc1"]
["120724480","CCC(CO)CNc1ccc(SC(C)C)cc1"]
["156326473","Cc1nc(C)c(Br)c(SC(C)CO)n1"]
["170688024","CC(C)C1NCN(C(C)C)C1=O"]
["8535434","CC(C)Sc1ccc(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1"]
["83968473","CC(C)C1(C(C)(C)C)SC1=O"]
["101303824","S=[PH]1/C=C2/SSP(=S)(SS1)C1=C2C=C1"]
["183626996","O=C1C=CC(P2(=S)SP(=S)(C3=CCC(=O)C=C3)S2)=CC1"]
["175074647","CC1=CC(=NCl)C(=NCl)C=C1"]
["120455637","COCc1nnc2n1N/C(=C1/C=CC(Cl)=CC1=O)S2"]
["119909539","CCCNC(CC(F)(F)F)c1cc(Br)c(C)s1"]
["120455626","COCc1nnc2n1N/C(=C1/C=CC(OC)=CC1=O)S2"]
["162169556","O=C1C=CC=CC1=C1CCSCCN1"]
["162887894","N[C@@H](CF)c1ccc(Br)s1"]
["103044138","S=P12SS/C(=C/P([S-])SS1)C1=C2C=C1"]
["184209575","CC(C)c1ccc(C2=INC=C2)s1"]
["185156979","NC1=C2C=CC(N)=C2C=C1"]
["180325502","CC1=CC(=O)C(=C2C=C[NH+](C)C=C2Cl)C=C1"]
["195656252","CCC(CC)([O+]=[SiH]C(CC)(CC)C(CC)(CC)O[SiH2]C(CC)(CC)N[SiH3])[SiH+]C"]
["150387160","CCC(S)(CC)CCOCOCCSSC(CC)(CC)SSCCOCOCCS"]
["180148257","CCC(CF)(CF)NN"]
["63237230","CCC(C)(NCCN=[N+]=[N-])C(=O)OC"]
["86455513","CCCNc1cc(NC(CC)(CC)CC)nc(CCC)n1"]
["195964128","CCCNOC(CC)(CC)CC"]
["115057313","CCC(CC)(CC)Nc1ccc(Br)c(C)n1"]
["86352566","CCNc1ncnc(NC(CC)(CC)CC)c1C"]
["86607096","CCOC(CCNC(CC)(CC)CO)OCC"]
["96100912","CCCNC(Cc1cnn(CC)c1)C(CC)(CC)OC"]
["79763402","N=C(O)NCC[SiH2]O[SiH3]"]
["65700645","CCC(CC)(CC)NCCC(C)(C)N"]
["98237720","C1C2=C3CC4C1C1C56CCC41C5CC3=C2C6"]
["34235829","C=CC[C@]12C[C@@H]3[C@@H](C=C(C)C)[C@](CC=C)(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C"]
["162284224","OC1C2CC2C(O)C12CC2"]
["98256020","C[C@]12C=CC(O)CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(N)F"]
["180354715","N[C@@H]1C(=O)C(/C(C(=O)[O-])=C(/CO)CS)C12CC2"]
["98455235","COC(=O)C=C1CC(OC)C2(CC2)C(OC)C1"]
["180086690","C1=C2CC3CC1CC(C2)C31CC1"]
["102867624","O=C1C[C@H]2[C@H]3[C@H]4[C@@H]5CC(=O)[C@H]([C@@H]1[C@@H]53)[C@H]24"]
["145376062","CC1=COC23C[C@@H](C)CCC2C(C)(C)CC[C@]3(C)C1"]
["153729709","CC1(C)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(C1)C(=O)C[C@H]32"]
["180361546","C1CC2C34CC56CCC3C1C5C264"]
["97419674","C[C@@]1(C(=O)O)[C@@H]2[C@H](O)C[C@H]3C4=C(CC[C@H]3[C@@]23CC[C@]1(O)OC3)C(=O)CO4"]
["168624133","O=c1c2[n-]ssc2c(=O)c2ss[nH]c12"]
["84105752","CC(C)=C1CC(=O)N(C(C)(C)C)C1=O"]
["43397135","CC(C)(C)C1(C(C)(C)C)OC(=O)C=C[Se]1"]
["87907957","Cc1cc2c(s1)C(=O)CNC(C)C2"]
["43544054","Cl.Cn1cc(S(C)=O)c(=O)c2sccc21"]
["95458001","O=c1cc(C2CCCC2)[nH]c2ccsc12"]
["150223312","COC1=Cc2c([nH]c(=O)c3sccc23)C(F)C1C"]
["163493112","Cc1nc2c(c(=O)n1C)C(C)N(C(C)(C)C)C2C"]
["200428717","NC(=O)c1[nH]nnc1-c1cc(F)cc2ccsc12"]
["195390924","CI=c1[n-]s[nH]c(=N)c1=O"]
["99800700","O=c1c(Br)c2[nH]s[nH]c-2c(Br)c1=O"]
["100920603","O=c1c2c(c1=O)[Se]c1c(c(=O)c1=O)[Se]2"]
["176495814","C1=CSC(=c2cc3c(cc(=C4C=C=CS4)c4nsnc43)c3c2[N-]S[N-]3)C=1.[Cs+].[Cs+]"]
["170200636","C1=CSC(=C2C=C[N]C=C2)C=1"]
["178214079","Cc1c2cncnc2c(C)c2nsnc12"]
["177697363","CC(C)c1ccc(I)c2nsnc12"]
["92915085","OC(CCBr)=Nc1c(Cl)cc(Cl)c2nsnc12"]
["88480182","N#[N+]c1c(Cl)cc(Cl)c2nsnc12"]
["51948899","Clc1cc(Cl)c2nsnc2c1NCC1CCC=CO1"]
["94347639","NCC1(C(O)=Nc2c(Cl)cc(Cl)c3nsnc23)CCCC1"]
["64956998","Fc1cc(Cl)c2nsnc2c1Cl"]
["198881296","NS(=O)(=O)c1ccc(-c2cncc3c2CCCC3)c2nsnc12"]
["187395060","C/C=C/c1ccc(-c2cc3c(cc(-c4ccc(C)cc4)c4nsnc43)c3nsnc23)cc1"]
["67064744","OC(CCCl)=Nc1c(Cl)cc(Cl)c2nsnc12"]
["50695325","[2H][B]C([CH2-])CC[CH-]C=O.[W+2]"]
["195997005","CCCN[C@H](C=O)CCC"]
["184004685","CC(CCC(=N)C=O)N(C)C"]
["180569869","CC(C)NC=NC=O"]
["173248320","CSCC[C@H](S)C=O"]
["78479895","CCC(C=O)[N+](C)(C)C"]
["78069661","CCCC(C=O)[C@H](C)O"]
["157978366","O=CC[C@H](O)c1cncnc1"]
["180620369","CC(CCN=O)O[C@@H](C)CC=O"]
["91046851","CC(C=O)Cn1ccc(=[N+](C)C)cc1"]
["89638700","COC(=O)CC1CN(C)CCCN1C(C)C"]
["99591280","C[CH-]C.[CH2-]CC=O.[Mg+2]"]
["183126996","C=CSCSC=C(CSCSC=C)SCSC=C"]
["177783660","C=CS/C=C(/N)C=C"]
["25337267","C=CSCCCC"]
["152001456","C=CSCCO[Si](C)(C)C"]
["180605370","CCC(C)=[N+]=COC"]
["179499179","C=C/C(N)=C\\C=C/CSC(/C=C\\C)=C/C"]
["163006907","C=C(Br)CSCC(C)C"]
["172640575","C=CSC(=O)S"]
["164277746","C=C/C=C(/CCCC)SCCC"]
["26248999","C=CSCCN"]
["44823014","C=CSCCSC[Si](OC)(OC)OC"]
["100360332","C=CSCCN(C)C(=O)C(C)C"]
["99709316","[B+]=c1cc2c(=c3c(Cl)c(Cl)c(Cl)c(Cl)c3=C[O-])c3cc(=[B+])[c-](O)c(=[B+])[c-]-3o[c-]2c(=[B+])c1=O"]
["79633691","Cn1nc(-c2cc(/C=C(\\Cl)C(=O)OC(C)(C)C)c(Cl)cc2F)c(Cl)c1OC(F)F"]
["145020479","O=C(O)C1=C/C(=C2/C=C3OCOC3=C(Cl)C2=O)NO1"]
["43452115","CC1=C(Br)C(=O)/C(=C/NNc2ccc([N+](=O)[O-])cc2)C(C)=C1Cl"]
["179011856","[B+]=c1cc(CCn2c([O-])c3cccnc3c2[O-])[cH+]c(=[B+])[c-]1O"]
["4672357","COc1ccc(Cl)c(N=C(O)[C@H]2Cc3ccccc3C(=O)O2)c1"]
["25192313","Nc1cc(Cl)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1"]
["26106166","ClC=CCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl"]
["61285433","O=C(c1cc(Cl)ccn1)N1CCN(CCO)CC1"]
["73605184","[O]c1cc2cc(N=C(O)[C@H](O)c3ccccc3)c(Cl)cc2cn1"]
["31290526","COC(=O)/C=C(\\COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl)OC"]
["25522150","CNc1c(F)c(C)c2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c2c1Cl"]
["79892869","C1=CC(c2coo2)=C[CH-][CH-]1.[Na+].[Na+]"]
["33418470","CCC(=O)c1c2ccocc-2oc1=O"]
["146847707","CC1(N=C(O)c2coc(CN)c2)CCCCC1"]
["175035236","CC1=CCC=C1.CC1=Cc2cc3c(c(C4=C[CH-][CH-]C=C4)c2=C1)CCC=3.[Zr+2]"]
["174074872","C.CC=C=C1[C-]=CC=C[CH-]1.[K+]"]
["144580097","c1ooc2coopcc1-2"]
["171673686","C=C(C(=O)OC(C)OC(=O)OC(C)(C)C)C(=O)c1coo1"]
["59756988","CCCCCCCCCCCC=c1cccc(OC2=C[CH-][CH-]C=C2)c1=CCCCCCCCCCCC.[Na+].[Na+]"]
["74540811","NC1=C(N)OOC=C1"]
["78752413","C/C(=C(\\C#N)c1nc(C)co1)N(C)C"]
["99831508","CC(=C(C#N)c1nc(C)co1)N(C)C"]
["161762739","O=C1N=CC2CC3CCC12O3"]
["44642919","C[Si+](C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si-](C)C"]
["26969988","CC(F)(CF)C(F)(F)CF"]
["25686620","FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I"]
["150418072","Cc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cn1"]
["168653303","C[Si+](C)C([Si+](Cl)Cl)([Si-](C)C)[Si-](C)C"]
["194629252","CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F"]
["171307873","CO[Si](CCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)(CCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)OC"]
["172263767","CC.CN=c1ccnc(C(F)(F)F)[nH]1"]
["26908676","CC(F)(F)C(F)(F)C(F)(F)[N]F"]
["171385086","CC([Si+](C)O)[Si-](C)O"]
["79291214","NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(N)(F)F"]
["193971187","CC(C)(F)F.CC(F)(F)C(C)(F)F.CC(F)(F)C(F)(F)C(C)(F)F"]
["189909909","SCSC(CC(C(S)CC(S)C(CC(SCS)C(S)CS)SCS)C(S)CC(S)C(CC(SCS)C(S)CS)SCS)SCS"]
["97945228","CC(S)SCS"]
["25050362","SCCSC(S)C(CS)SCCS"]
["184664913","OCCSCC(O)CSCC(CO)SCCS"]
["74591598","SCSCC1(SCSC(SCS)C(SCS)SCS)SCS1"]
["25526056","SCCCSCC(CSCCCS)SCCCS"]
["173950038","SCCSCC(CS)SCCSSCCSCC(CS)SCCS"]
["99888875","O=C(CS)OCCOC(=O)CS.SCSC(CC(SCS)SCS)SCS"]
["172114225","CCSCSCSC(CC(SC)SCS)SCS"]
["186688405","CSC(CS)C(C)C(C)C"]
["172711694","SCSCC(CS)CS"]
["78681636","SCCSC(CS)CSCC(S)CSCC(CS)SCCS"]
["173875233","O=C=N[B]N=C(O)[N+](=BN=C=O)[C-](O)N=BN=C=O"]
["53068329","CC(C)(N=C=O)c1ccc(C(C)(C)OONC(=O)[O-])cc1"]
["135737195","Cc1cc(=O)c(C(=O)N=c2cc(-c3ccccc3)o[nH]2)nn1-c1ccccc1"]
["172056293","[CH-]=C/C=C\\[C-]=C(O)N=C=O.[Zn]"]
["136577443","O=C(CN1C(=O)c2ccccc2C1=O)N=c1cc(-c2ccccc2)o[nH]1"]
["134999421","O=C(N=c1cc(-c2ccccc2)o[nH]1)c1ccccc1C(F)(F)F"]
["133287649","COc1cc(C(=O)N=c2cc(-c3ccccc3)o[nH]2)ccc1OC(F)F"]
["78071543","O=C=N/C=C/C(=O)O"]
["80350736","O=C(N=c1cc(-c2ccccc2)o[nH]1)c1cccc(Cl)c1[N+](=O)[O-]"]
["173023692","CC#CC.CN[B]N=C=O"]
["131132333","O=C(N=c1cc(-c2ccccc2)o[nH]1)c1ccc(Cl)s1"]
["78097843","CCN(CC)C(O)=NN=C=O"]
["169813698","C1[Si+]2C3[Si+]C4[Si-]1C1[Si-]C2[SiH]3C[SiH]41"]
["63261438","C1[SiH]2C3[SiH2]C4[SiH]1C1[SiH2]C2[SiH]3C[SiH]41"]
["161696126","C1C2C[Si]3=[Si+][Si](=[Si-]C1C3)C2"]
["58946459","O=S1CCC2CCNNC21"]
["83057092","C1[Si+]2C3[Si+]C4[Si-]1C1[Si-]C2[Si+]3C[Si-]41"]
["194101020","C/C=N\\N=PN=NP1(Cl)=NP(C)(Cl)=NP(Cl)(Cl)=N1"]
["149577387","C/C=N/CC(CCC)S[Si](C)(C)C"]
["27295625","CC1(C)COP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)OC1"]
["66575209","C/C=N/N=C/C1=NC(C)(C)N(C)C1(C)C"]
["63570201","C=C=CP1(C(C)C)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1"]
["187839511","C/C=C\\C(=N/N=C\\C)C(C)C"]
["64728759","C#CCP1(C)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1"]
["43925220","CCCCNP1(Cl)=NP(Cl)(Cl)=NP(Cl)(NCCCC)=NP(Cl)(Cl)=N1"]
["101095225","CC(Br)C1=C/C(=C/Br)OC1=O"]
["97665470","CCOC(=O)c1cn2c(n1)[C@@H]1O[C@H](C2)[C@@H](O)[C@H]1O"]
["53620447","C[C@@H](N)/C=C\\c1ccc(Cl)cn1"]
["145204962","CC(CCC1=CN/C(=C\\N=O)N1)N=[N+]=[N-]"]
["53673025","O.OO[O+]1OOOOO1.O[O+](O)O"]
["47039303","O=[n+]1cc(O)o[nH]1"]
["47097935","N#CCSOO.[Rf]"]
["160204121","C[N+](C)(C)C.O.[O-]OO"]
["25920537","C1OOCOOOOOO1"]
["42985636","CS(C)(=O)(O)OO"]
["26475194","CCOC(CC)=C(C)C"]
["62927411","O.O[O+](O)O"]
["55798858","O=S(O)(O)(O)OO"]
["78642481","COC([O])=CCCF"]
["78515504","O=[PH](Cl)OO"]
["79301047","O=[GeH]O.O[Si]1(O)OOO1"]
["179788988","CC1CC(C)C(OC2CC(C)C(O[C@H]3CC(N)CC(C)C3C)CC2N)CC1N"]
["48333509","COc1cccc(C(=O)N(C)CC2CC(N)C2)c1"]
["73969641","CCOC(=O)[C@H]1C[C@@H](N)C1.Cl"]
["61260008","CC1CC(C)C(Oc2cccc(C(C)(C)C)c2)C(N)C1"]
["174288223","CN=C(O)O[C@H]1CC1C"]
["177870030","CCC(N)(CC)C1CCC(CC2CCC(N)C(C)C2)CC1C"]
["156965885","C[C@H](N)c1nnc([C@@H]2C[C@@H]2C)s1"]
["25074404","CC1CC(C2CCC(N)C(C)C2)CCC1N"]
["157220886","Cc1nsc(S[C@@H]2CC[C@@H](N)[C@H]2C)n1"]
["113831608","Cn1ccnc1COC1CC(N)C1"]
["95759565","CCCOC1CC(N)C1OC"]
["48108583","Cc1cccc(N2C3CCC2CC(N)C3)n1"]
["60458390","[CH]CN=c1[nH]c(=NC[CH+])[nH]c(=NC[CH-])[nH]1"]
["MCULE-2420534026","CCCCN=c1[nH]c(=NCCCC)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1"]
["100399698","CCCCC(N)CN=c1[nH]c(=NCCC[Si](OCC)(OCC)OCC)[nH]c(=NCC(N)CCCC)[nH]1"]
["29506465","CCN=c1[nH]c(=NCC)[nH]c(=NCC2CCC(CNS(C)(=O)=O)CC2)[nH]1"]
["98810304","O=C(O)CCCCCN=c1[nH]c(=NCCCCCOCO)[nH]c(=NCCCCCC(=O)O)[nH]1"]
["MCULE-4779306867","COCCN=c1[nH]c(=NCCOC)[nH]c(=NCc2ccc(O)cc2)[nH]1"]
["150538128","Cc1nc(=NCCC(C)(C)N)[nH]c(=NCCN)[nH]1"]
["86359241","CCN=c1[nH]c(C)cc(=NCCC2CC2)[nH]1"]
["63791366","COC(=O)CN=c1[nH]c2ccccc2[nH]1"]
["95540258","C=CCCN=c1[nH]c(Br)cc(=N)[nH]1"]
["MCULE-3672783153","Cc1ccc(N=c2[nH]c(=NCC(C)C)[nH]c(=NCC(C)C)[nH]2)cc1Cl"]
["112663401","COc1nc(=N)[nH]c(=NCC2CC2(C)C)[nH]1"]
["170598635","C#Cc1ccc(-c2[nH]c(C3=C/C(=C4/N=CC(CC)=C4CC)O[B-](F)(F)O3)c(CC)c2CC)cc1.C#Cc1ccc(C2=C(CC)C(CC)=C(C3=C/C(=C4/[NH+]=CC(CC)=C4CC)O[B-](F)(F)O3)[NH2+]2)cc1"]
["181622807","C#CCCOCc1cc(Cl)c(Cc2ccc(CC)cc2)cc1N=[N+]=[N-]"]
["172606726","CNCCC(C=O)N=c1[nH]nc(-c2c(-c3ccc(C#N)cc3)[nH]c3c(F)cc(F)cc23)o1"]
["172633899","C#Cc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OCC)cc1"]
["189260961","CC(CO)CN=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12"]
["194111127","C#Cc1ccc(C2=CC=C(Cl)C(=C)N2C)cc1"]
["66867959","CCc1ccc(-c2n[nH]c(S[C@@H](C)C(O)=Nc3ccc(F)cc3F)n2)cc1"]
["176613959","C#Cc1ccc(C(=C)NC(=N)c2ncn(CCCCOC(=C)NCc3ccc4ncn(C(C)C)c4c3)c2C)cc1.CC"]
["56327834","CCc1ccc(-c2[nH]c3c(C)ccc(Cl)c3c2C=O)cc1"]
["184939563","OC(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)=NC1CC(CF)N=C1O"]
["193757991","C#Cc1ccc(-c2nn(C)c(C(=O)N3Cc4cnc([C@@](C)(O)C(F)(F)F)n4[C@@H](C)C3)c2Cl)cc1"]
["194513257","CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12"]
["51410419","OC(=NSC(F)(SC(F)(F)F)SC(F)(F)F)NSC(F)(SC(F)(F)F)SC(F)(F)F"]
["133260395","CCC(C)(C)C(O)=NCCSC(F)(F)F"]
["3096711","CC(C)CN=C(O)CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F"]
["141219121","Cc1nc(C(C)(C)NC(O)=Nc2cccc(C(F)(F)F)n2)sc1C"]
["141823963","CCOC(=O)c1ccc(NC(O)=NC2CCN(CC(F)(F)F)CC2)cc1"]
["166239982","OC(=NNCC(F)(F)F)Nc1ccc(Cl)cc1"]
["170638653","OCC1CNCCC1NSC(F)(F)F"]
["136396256","OC(=NC1CCC2(CC1)OCCO2)Nc1cc(Cl)cc(C(F)(F)F)c1"]
["CSSS06971260284","Cc1cn2cc(C(O)=NCCSC(F)(F)F)nc2s1"]
["113324851","O=C(O)[C@@H](O)CNC(O)=NCCSC(F)(F)F"]
["46107496","OC(=NCCBr)Nc1cccc(C(F)(F)F)c1"]
["91868615","OC(=NCC(F)(F)F)Nc1cc(Cl)cc(C(F)(F)F)c1"]
["187375174","CC(C)C1C[PH](C)(C)C#CP(C)CP(C)CP(C)[PH](C)(C)C1"]
["162200392","CC(CO)C1CN(N)C1.Cl.Cl"]
["107621422","CC(C)[C@H]1CCN[C@H](C)C1"]
["162816019","Cc1nc(=NC2CC(C(C)C)C2)s[nH]1"]
["181496367","CC(C)C1CC(N=[N+]=[N-])CC(C(C)(C)C)C1"]
["176794095","CC.CC(C)C1CC(N)CC(C)(N)C1.O"]
["74554949","CC(C)[C@H]1CC[C@H](N=C(O)[C@H](N)CO)CC1"]
["32466723","COC(C1CC1)[C@@H](C)CO"]
["111922245","CC(C)CCNC1CC(C(C)C)C1"]
["162504174","CC1=CC[C@H](C(C)C)CC1Br"]
["190870908","CC(C)C1CC(O)CC(O)C1.CC(C)[C@@H]1C=C[C@@H](O)C1"]
["174284613","CC(C)C1CC(F)N(C(C)C)[C@@H](F)C1"]
["176976135","B1CC2=[PH](C1)CCCCC2"]
["99774079","N=C/C1=C(\\N)CCCCCC1"]
["25486163","C[C]1CCCCCCCCCCC1"]
["150487367","O=C(C=C1CCCCC1)CBr"]
["46126837","BrC1=C(Br)CCCCC1"]
["178214497","[NH3+]C1=CCCCCCCCCCC1"]
["25719802","ClC1=C(Cl)CCCCCC1"]
["172443232","C1CCC2=C(C1)ONO2"]
["97359064","CC/C=C1\\CCCCCCC1=O"]
["78702349","ClC1N/C2=C/C(CCCCCCCCC2)NC(Cl)N1"]
["177056787","[Hf].c1cc2[c-](c1)CCCC2.c1cc2[c-](c1)CCCC2"]
["113550848","OC(C1=CCCCCCC1)c1cncnc1"]
["172180430","N=C(O)CSC1=S=C(CC[Cl+]N)[N-][N-]1"]
["164967793","N=C(O)CSc1nnc(N=C(O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)s1"]
["121631959","N=C(O)CSc1ccccc1NCCCOCC(F)(F)F"]
["175326529","CCc1c(CC)c(CCO)c(CC)c(CC(=N)O)c1CC"]
["15499194","C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1SCC(=N)O"]
["5841452","CC(=O)c1cccc(N=C(O)[C@H](Sc2nnc(SCC(=N)O)s2)c2ccccc2)c1"]
["46725887","Cc1nc(N=C(O)C(C)SCc2ccccc2)sc1SCC(=N)O"]
["138642379","N#Cc1cc(Cl)ccc1CSc1nnc(SCC(=N)O)s1"]
["195625409","N=C(O)CSCCN([O-])CCCCCN"]
["15532706","Cc1cc(C(=O)CSc2nnc(SCC(=N)O)s2)c(C)n1C"]
["157315145","N=C(O)CSc1ccccc1N=C(O)CNC[C@H]1CCCO1"]
["10681749","COCCN(Cc1cccnc1)C(=O)c1ccccc1SCC(=N)O"]
["67100676","CN1C(=CC=C2CCC(C=CC3=[N+](C)c4ccc(SOO[O-])cc4C3(C)C)=C2N(c2ccccc2)c2ccccc2)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21.[K+]"]
["151274136","CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(O)=N[C@H]3CCCC[C@H]3C)C(C)C)ccc21"]
["21395620","CCN(C(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC)c1ccccc1"]
["170780253","Cc1cc2c(cc1N(c1ccc(C3CCCCC3)cc1)c1ccc3c(c1)[C@]1(CCc4ccc(N(c5ccccc5)c5ccccc5)cc41)CC3)C(C)(C)c1ccccc1-2"]
["61262457","CC[N+]1=C(C=CC=CC=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(SOOO)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21"]
["53167558","CN1/C(=C\\C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)(C)c2ccccc21"]
["108787495","CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1"]
["199174993","C[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(S(N)(=O)=O)cc2)N1C(=O)CCl"]
["1254751","Cc1ccc(S(=O)(=O)N2CC(=O)N(c3cc(C)cc(C)c3)[C@](C)(C(O)=NCCC(C)C)C2)cc1"]
["182574496","C=Cc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCCC2CCOCC2)c(C(=O)[O-])c1"]
["MCULE-5799439333","CCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(Cl)c2)cc1"]
["58625795","CCC(N=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C"]
["172446406","C1=CCN(C2(N3C=CC=NC3)OC=CC2(N2C=CN=CC2)N2C=CCC2)C=C1"]
["98562491","O=C1N=S2C=CC=NCC=NC=CN3CC=CC3=CC1=CC2"]
["77093384","CC12C=CCCCCOC(=O)C1C1C(=O)N(CCCCO)C3C(=O)N(Cn4nnc5ccccc54)CC=CC13S2"]
["45819474","N#Cc1ccn2c1CSC2N1C=CC=NC1"]
["181282875","O=CON1C=CC=NC1"]
["187039093","C1=CCN(CC[n+]2ccccc2)C=C1"]
["174438483","FC(F)(F)c1ccc(N2C=CC=NC2)nc1"]
["193264956","CCN1C=CC=CC1.[I-]"]
["68065497","CC[C@]12C=CCCOC(=O)[C@H]1[C@H]1C(=O)N(CCCCCCO)C3C(=O)N(Cn4nnc5ccccc54)CC=C[C@@]31O2"]
["182631703","[N-]=[N+]=Nc1nccc(N2C=CC=NC2)n1"]
["182774451","N#CCCN1C=CN=CC1"]
["47777231","C1=CN(C2CCCO2)CN=C1"]
["168487731","C1=C\\[Si-]=c2ccsc2=c2sccc2=[Si+]/1"]
["142100049","CC(c1cccs1)N(C)C(=O)CNC(CCO)C(C)(C)C"]
["120621919","Cc1cc(N)cnc1N(C)c1sccc1C"]
["150060082","C1=C2[SiH2]c3ccsc3C2SC1"]
["189018458","Cc1ccsc1/C(O)=C(\\O)c1sccc1C"]
["104569045","CCN[C@@H](c1cccs1)c1cccc(C)c1C"]
["171043130","Cc1ccccc1OCc1ccsc1C(=O)Cl"]
["92051686","COc1ccsc1C(=O)Cc1c(C)cc(C)cc1C"]
["111859346","CC(C(=O)O)C(C)C(=O)N(C)C(C)c1cccs1"]
["127363390","CN(C)C(O)=Nc1ccc(C(O)=NCc2nccs2)c(Cl)c1"]
["139916219","CN(Cc1nccs1)C(=O)CCc1cc(Cl)ccc1Br"]
["175589018","CN(C)CCC(Br)c1cccs1"]
["173680958","CC(C)(C)C1=C2CCC[C-]=C2CCC1.[Rb+].[Rb+]"]
["13385908","CC(C)(C)OC(O)=NCCNS(=O)(=O)c1ccc2c(c1)CCC2"]
["170503884","CC(C)(C)C1=C2O[C@]3(C(C)(C)C)CC(C(C)(C)C)=C3O[C@@]2(C(C)(C)C)C1"]
["91947140","CNCCc1nc(C(C)(C)C)c(C(=O)O)s1"]
["171022406","CC(C)(C)C1=CC(C)(C(C)(C)C)CC(Cl)=C1O"]
["179703130","[B+]=C1CC=[C-]C(C)(CCNC)CCC1"]
["164501237","CC(C)(C)c1cc(C2=CC3=C4CCCC4=C4C=C(c5ccc(S)cc5)S[C@@]4(C)[C@]3(C)S2)cc(C(C)(C)C)c1"]
["148037834","CC(C)(CCNC(=O)c1cc2c(s1)CCC2)C(=O)O"]
["SN0389259","CC[N+]1C2=C(CCCC2)C(=N)C2=C1CCC2"]
["172160427","CC(C)(C)C1=C(C(C)(C)C)CC1"]
["56312284","Cc1ccc(C)c(N2C(=O)CC(c3ccc(Cl)cc3)C3=C2CCCC3=O)c1"]
["31056478","Cc1ccc(C2=C(c3ccc(S(C)(=O)=O)c(F)c3)CCC2)cc1C(F)(F)F"]
["102950487","N#[N+][N-]c1nc2[n+]3c(nc([N-]N=N)nc3n1)N=C1N=N[N]N12"]
["145542983","N#[N+]NC(=N)NC(=N)N=C1[N]N=C([N+]2=NC([N-]N=N)=NC2=N)N=N1"]
["182889157","N=N[N-]C1=NN=C=C1"]
["136723186","[N-]=[N+]=Nc1nc2n3c(nc(=NN=N)nc3n1)N=C1N=N[N]N12"]
["182329671","N#CN1NN=C([N-][N+]#N)N1[N-][N+]#N"]
["136723187","[N-]=[N+]=Nc1nc2n3c(nc(=NN=[NH2+])nc3n1)N=C1N=N[N]N12"]
["100191413","N#[N+]N=c1nc([N-][N+]#N)[n-]c([N-][N+](=N[N+]#N)[N-]N=N)n1"]
["173347870","N=N[N-]c1ncncn1"]
["96734403","N#[N+]N=C1C(=C2C=C[C]([N+](=O)O)C=C2)N=NN1c1ccccc1"]
["181535531","N#[N+][N-]C1=NNN(C(=O)O)N1[N-][N+]#N"]
["102950488","N#[N+][N-]c1nc2[n+]3c(nc(NN=N)nc3n1)N=C1N=N[N]N12"]
["182187830","N#[N+]N=c1ccc2n(CC(=N)O)cc[n+]2[n-]1"]
["194570716","[CH-]=c1[c-]c2[c-]c3[c-]c4[c+]c5[c+]c6[c+]c7[c+]cc8cc9cc(=C)cc%10cc%11cc%12cc%13cc%14cc%15ccc%16cc(c1)c2c1c3c2c4c3c5c4c6c5c7c8c(c9%10)c%11c5c%12c4c%13c3c%14c2c%15c%161"]
["77350681","C1=CC2=C3C4=c5c6c7c8c(ccc9cc%10cc%11ccc%12cc%13cc%14ccc%15cc%16ccc%17cc%18cc%19ccc%20c%21c(c%22c5c5c%23c6c(c98)c%10c6c%11c%12c8c%13c9c%14c%15c%10c%16c%17c%11c%18c(c%19%21)c%22c%12c5c(c8c6%23)c9c%10c%11%12)C4C(=C2)C=%20)C=C1C37"]
["174928848","NN.c1cc2cc3cc4cc5ccc6cc7cc8cc9cccc%10cc%11cc%12cc%13ccc%14cc%15cc%16cc(c1)c2c1c3c2c4c3c5c6c4c7c5c8c(c9%10)c%11c6c%12c7c%13c%14c8c%15c(c%161)c2c1c3c4c(c56)c7c81"]
["62239150","c1cc2cc3ccc4cc5cccc6cc7c8ccccc8c8cc(c1)c2c1c3c4c(c56)c7c81"]
["97910733","Oc1ccc2ccc3cc4cc5cccc6cc(O)c7c(O)c8c(O)c1c2c3c8c4c7c65"]
["91502598","c1cc2cc3ccc4cc5cc6ccc7ccc8cc9ccc%10cc%11ccc%12c(c1)c2c1c3c4c2c5c3c6c7c8c4c9c%10c5c%11c%12c1c2c5c43"]
["171046065","c1ccc2c(-c3c4cccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)c4cc4ccc5ccccc5c34)cccc2c1"]
["97210317","c1cc2ccc3cc4cc5cc6cccc7ccc8cc9cc%10cc(c1)c2c3c%10c4c9c5c8c76"]
["91385505","c1cc2cc3cc4cc5ccc6ccc7ccc8cc9cc%10cc%11cccc%12c(c1)c2c1c3c2c4c3c5c6c7c8c3c9c2c%10c1c%11%12"]
["176254310","C1=Cc2c(cc3ccc4cc5ccc6cc7ccc8cc9cccc%10cc%11cc%12c2c3c4c2c5c6c3c7c8c(c9%10)c%11c3c%122)=CC1"]
["57182307","Cc1cc2cc3cccc4c(C)cc5cc6cccc1c6c2c5c34"]
["100853557","c1cc2ccc3cc4cc5ccc6ccc7cc8ccc9cc%10ccc%11cc1c1c%12c%11c%10c%10c%11c%13c(c4c(c3c21)-[c+]-%12-%11)c5c6c7c%13c8c9%10"]
["164443114","C=C(C)CC(CC(C)(C)CC(C)(C)CC(C)PC)C(C)(C)CC(C)(C)C(CC(C)(C)C)C(=C)NSC"]
["111390109","C=C(CC)CC(CC(C)(C)OC)NCCC"]
["198335066","C=CN=NS/C=C\\CC(C)C"]
["147153741","C=C(C)CNC(=N)NCc1ncnn1C(C)(C)C.I"]
["93583124","C=C(C)CC(NC)C(C)(C)S(C)(=O)=O"]
["34113932","CCN(CC(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CC(C)(C)C)C(=O)O)C(=O)CCCC1CCNCC1.O=C(O)C(F)(F)F"]
["85252158","CCc1ccc(CC(C)(C)CC(C)NC)nc1"]
["150039515","C=C(C(C)C(C)C(C)C(C)(C(C)CC)C(C)CC)C(C)(C)CC"]
["176525263","CC.COc1ccc(C[C@@H](N=C(O)/C=C/CC[C@H](C)C2OC2c2ccc(CO)cc2)C(O)=N[C@@H](C)C(C)(C)C(O)=N[C@@H](CC(C)(C)C)C(=O)O)cc1Cl"]
["172911147","C=C(C)CS[C@](CC(=C)C)(O[C@@H](C)[C-]=O)[C@H](C)O.[Na+].[OH-]"]
["85359958","CC(CC(O)=NC1(CC(=O)O)CCC1)CC(C)(C)C"]
["128658575","C=C(C)CC(C)C(=O)N1CCC(Nc2cccc(C)c2)CC1"]
["42678504","CCC#Cc1cc2c(cc1SC)CC(SC)(SC)CS2(C)#SC"]
["42542620","CSc1cc2c(cc1F)CCN2N"]
["101484141","CCc1cc(OC(C)=O)ccc1SC"]
["68382226","CCN(CC1CC1)C(=O)c1ccc(F)cc1C#CCN"]
["MCULE-2832271777","CC(C)(C)OC(O)=NCCc1ccc(-c2ccccc2C#CCO)cc1"]
["94981569","Cc1cc(C#CCCO)cc(C(O)=NCC2CCCO2)c1"]
["92224259","CCSCCC1(CNC2CC2)CC2CCC1C2"]
["14194569","C=CC[NH+]=C(O)N=C(O)CN(C)CC(O)=Nc1ccccc1SC"]
["MCULE-6967768224","CCC(N=C(O)Cc1cc(Cl)ccc1SC)C(O)=NCc1ccc(C)cc1"]
["200542833","Cc1ccc(C#N)c(C#CCCl)c1"]
["145042442","CSc1cc(C2(C(=O)O)CCCC2)c(SC)cc1C"]
["133318194","COc1cc(CN2CCC(C)(O)CC2)ccc1SC"]
["74883063","COC1N=C2N3C(N=NC4N=C(C)N=C(C)[N+]24[O-])N1N=NC1N=C(C)N=C(C)[N+]13[O-]"]
["77844672","COc1ccc(CC(=O)Nc2cc(C)nn2C2N=C(O)C3CNN(c4cccc(Cl)c4)C3N2)cc1"]
["185583693","CNCC(=O)N1C=C(NS(=O)(=O)c2ccccc2N)C(OC)=NC1OC"]
["83603601","CCCN(CCC)CC1=NC2C(C(O)=NC(=O)N2C)N1CCOC"]
["47306874","COc1ccc(N2C(N)=C(C#N)C(c3cc(COc4ccc(Cl)cc4)c(C)cc3C)C3=C2CC(C)(C)CC3=O)c([N+](=O)[O-])c1"]
["68968619","COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(c4ccc(Cl)cc4)[C@H]3C2=O)c1"]
["10963562","COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C(=O)[O-])cc2)cc1"]
["76835593","CCC1=NC(=O)C(CC)C(C)=N1"]
["48462533","COc1ccc(-n2cc(/C=C3\\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)cc2C)cc1"]
["MCULE-2306789607","COC(=O)c1c(C2(C)CC2)nn(C(c2c(C)cc(C)cc2C)C(C)C)c1I"]
["51630923","COC1CC(/C=N\\N2C(=O)C(C(C)(C)C)Nn3cnnc32)CCC1O"]
["18795687","CC1=C2[C@H](c3cc(Br)ccc3F)CC(O)=N[C@@H]2N(c2ccc([O-])nn2)N1"]
["96638290","C1=CSC(c2sc(C#CC3=CSC(C4=[S+]C=C[S+]4)S3)c[s+]2)[S+]=1"]
["9082536","Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2sc(C(O)=Nc3ccc(Cl)cc3)c(N)c12"]
["18499278","CCc1ccc(S(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)s1"]
["24550798","Cn1nc(C2CC2)c2c1N=C(O)CC2c1ccc(C#CC(C)(C)O)s1"]
["13312973","C[NH2+]S(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(C)cc3)s2)s1"]
["128294293","CS(=O)(=O)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)s2)c1"]
["101124907","CN1[N]C(C2=CC3=CC=C4C=C(C5=CSC(c6scc[s+]6)S5)C=C5C=CC(=C2)C3C45)=NN(C)C1=O"]
["86027374","CC(NC(=O)c1sc2nnccc2c1N)C1CCCCC1"]
["97557610","CCCCN(CCCC)c1ccc(-c2ccc(C#Cc3ccc(-c4ccc(N(CCCC)CCCC)cc4)s3)s2)cc1"]
["162857956","Cc1nnc(CNc2cc(N)ns2)s1"]
["52142387","OC1=Nc2ccccc2SC1=CNCc1ccc(Cl)cc1"]
["2466219","Cn1nc(C2CC2)c2c1N=C(O)C[C@H]2c1ccc(C#CC(C)(C)O)s1"]
["194459465","C[C@@H]1CCC(c2ccoc2)C2[C@H]1CC[C@]1(C[C@]3(CC[C@H]4[C@H](C)CCC(c5ccoc5)[NH+]4C3)CS1)[C@H]2O.C[C@@H]1CCC(c2ccoc2)N2C[C@@]3(CC[C@@H]12)CS[C@@]1(C[C@@H](O)C2C(c4ccoc4)CC[C@@H](C)N2C1)C3"]
["188620899","C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14O[C@@]5(O)C(C[C@@H](O)[C@@H]31)[C@]4(C)CC[C@@H]5O)[C@]2(C)O"]
["MCULE-4233115144","COC(=O)C1[C@H]2CC[C@H]3[C@@]14CC[C@@H](C)[C@]31C[C@@H](c3ccoc3)O[C@@H]1O[C@H]4O2"]
["82398849","CC1CCN(C(O)=Nc2ccccc2)CC1n1ccc2c[nH]c3nccc-3c21"]
["199037833","O=S(=O)(N=S1(=O)CCC2(CC1)CC(N=C(O)C#CC1CC1)CCO2)c1ccoc1"]
["58492472","CCSCC(=O)[C@@]12ON(Cc3ccoc3)C[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C"]
["97188499","C[C@@]12C[C@@]3(C(=O)N1[C@@H](c1ccccc1)CO2)c1ccccc1N[C@@H]3c1ccoc1"]
["194855331","C[C@@H]1CC[C@H]2[C@@H](C)CC[C@H](c3ccoc3)[N@@+]2([O-])C1"]
["194872053","CC(=O)O[C@@H]1C[C@H](O)[C@]23CO[C@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@@]1(C)[C@H]2C(=O)C[C@@H](c4ccoc4)[C@]2(C)[C@@H](OC(C)=O)C(=O)[C@@H]13"]
["83147207","COC(=O)C(O)C1C(C)(C)C(=O)C2CC3(O)C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O"]
["187272300","CC(C)C1CCC(C)C2CCC3(C=C12)CC(c1ccccc1)c1c(O)c(C=O)c(O)c(C=O)c1O3"]
["188639660","C[C@@H]1C[C@H]2O[C@H](O)[C@H]3CCC[C@@H]4C1(C[C@H](O)c1ccoc1)C(=O)OC[C@@]342"]
["161665064","C1=Cc2cc3nc(c4nnc5c-4nc4c=5nnc=4c4nc(cc1n2)C1=C4N=N1)-c1[nH][nH]c1-3"]
["48976566","Nc1ccccc1C1=C(c2ccccc2N)c2nc1cc1nc(cc3ccc(cc4cc(-c5ccccc5N)c([nH]4)c2-c2ccccc2N)[nH]3)C=C1.[Co]"]
["147768695","N=c1[nH]cc(N)nc1-c1nccc2ccc(Cl)cc12"]
["99220763","Brc1ccccc1C1=C(c2ccccc2Br)c2nc1cc1nc(cc3ccc(cc4cc(-c5ccccc5Br)c([nH]4)c2-c2ccccc2Br)[nH]3)C=C1"]
["191521453","C1=Cc2cc3ccc(cc4cc(-c5ccncc5)c(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Cl-].[Cl-]"]
["78238715","C1=Cc2cc3cc(-c4ccco4)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.[Zn]"]
["79330699","C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.O=C(O)CC(=O)O"]
["174392911","C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.Oc1ccccc1.[Fe]"]
["170661975","O=S(=O)(O)c1ccc(C2=Cc3cc4ccc(cc5ccc(cc6nc(cc2n3)C=C6)[nH]5)[nH]4)cc1"]
["168385159","Oc1ccccc1C1=Cc2cc3ccc(cc4nc(cc5[nH]c(c(-c6ccccc6O)c1n2)c(-c1ccccc1O)c5-c1ccccc1O)C=C4)[nH]3.c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)CC5)[nH]4)CC3"]
["161881323","SC(S)=Nc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3"]
["68695400","CCC1=C(CC)c2nc1cc1nc(cc3ccc(cc4cc(CC)c([nH]4)c2CC)[nH]3)C=C1"]
["172303976","O=P12C3=CN=C(c4cscn4)C1=C32.O=P12c3oc(-c4cscn4)c1c32"]
["MCULE-7717984078","CN1C(C)(C)CC(OC(=O)c2cscn2)CC1(C)C"]
["172281658","CCP(=O)(CC)c1ccoc1-c1cscn1"]
["170521233","CC(N)c1cc(OC2[C@H]3CN(C(=O)c4cc(-c5cscn5)nn4C)C[C@@H]23)nc(-c2ccc(F)cc2)c1"]
["158103435","Sc1ncncc1-c1cscn1"]
["186962247","CC(C)c1ccc(C(C)n2nc(-c3cscn3)nc2-c2ccn(C(C)C)n2)cc1"]
["65548226","CN(Cc1cscn1)C(=O)N1CSCC1C(=O)O"]
["65131664","CCCc1cc(=NCCc2cscn2)[nH]cn1"]
["143430797","Cc1csc(N=C(O)N(C)Cc2cscn2)n1"]
["95259846","Cc1cscc1NC(C)c1cscn1"]
["94230596","N[C@H](Cc1ccccc1)c1nc(-c2cscn2)no1"]
["43979346","O=C(OCC(O)=NCCCSc1ccccc1)c1ccccc1SCc1cscn1"]
["184573414","C=C(C)c1c(C)c2c(C)c(=C)c(=C)c3c4c(C)c(C)c5c6c(=C)c(C)c(C)c7c(C)c(=C(C)C)c8c(=C)c(C)c9c%10c(C)c(=C)c1c(c23)c%10c4c5c9c8c76"]
["161432003","C=C(C)c1c(C)ccc2c1C(=C)C(=O)C2=O"]
["161493609","C=C(C)c1c(OC)cc2c(c1C)C=CC(C)(C)C2"]
["172905855","C=C(C)CC(C)(C)CC1(C)Cc2c(C)c3c(c(C)c21)CC3(C)CC(C)(C)CC(=C)C"]
["84129261","C=C(C)c1c(C(C)C)cc(C)cc1C(C)C"]
["174966164","C=C/C(C)=C(/CNc1cc(F)ccc1N)C(=C)C"]
["199299016","C=c1occ(C)c1=C(C)C.CC"]
["96917858","C=C(C)c1coc(S)n1"]
["187149497","C=C(C)c1ncc(N)cc1C"]
["198535475","C=C(N)c1ccc(N)cc1N1CCN(Cc2nc3ccc(-c4cc(N)cc(N5CCN(Cc6nc7c(s6)CCC=C7)CC5)c4C(=C)C)cc3s2)CC1.CCS"]
["167557788","C=C(C)c1c(N(CCC(F)(F)F)C(C)=O)sc(/C(C)=N/N)c1C"]
["170912135","C=C(C)c1c(C)/c(=C/C)n(C(=C)C)c1=C"]
["76972867","S=C1NC=NC2N=CN=C12.S=C1NC=NC2[NH+]=C[NH+]=C12.[Pt]"]
["80093989","O=C1NC(SCC(O)=Nc2cc(Cl)cc(Cl)c2)=NC2N=CN=C12"]
["9928342","N=C1NC(=NCc2ccc(Cl)cc2Cl)C2=NC=N[C@@H]2N1"]
["77171221","COC1=CN=C2C(=O)NC=NC12"]
["82436444","O=C1NC=NC2C(C3CCC(O)N3)=CN=C12"]
["173701823","CCC1C=C(Br)NC=N1"]
["76841973","OC1=NC(N=C(O)C(Cl)Cl)=NC2N=CN=C12"]
["150807418","FS(F)(F)(F)(F)C1=CC2=NC=N[C@H]2C=C1"]
["1205573","OC(CSC1=NC(Cl)=N[C@H]2N=CN=C12)=NCCc1ccc(Cl)cc1Cl"]
["81430860","S=C1N=CN=C2N=C[N+]=C12.[Hg].[SH2+]C1=[NH+]C=[NH+]C2[NH2+]C[N+]C12"]
["81148353","O=C1NC(Br)=NC2N=CN=C12"]
["16583440","S=C1N=CN=C2c3cc(Cl)ccc3O[C@H]12"]
["179387220","C=C1C=CC=CN=C1SSc1ncccn1"]
["MCULE-9832219372","CS(=O)(=O)c1cccc(-c2cnc(N=C(O)CSc3ncccn3)nn2)c1"]
["10262824","CC(C)CCN=C(O)CSc1ncccn1"]
["MCULE-7757417976","COCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CSc1ncccn1"]
["49491334","NC1(c2ncccn2)CCCC1"]
["183448291","CC(Sc1nccc(Cl)n1)c1ccccn1"]
["25881528","C[C@@H](O)C1C(=O)N2C(C(=O)O)=C(Sc3ncccn3)CC12"]
["193047871","C=C1Nc2ncccc2N1c1ncccn1"]
["53776550","CC(=O)/C(Sc1ncccn1)=C(\\C)O"]
["197342710","C#CC1(c2ncccn2)CC1"]
["MCULE-2109642697","Cc1ccc(-c2cccc(N=C(O)CSc3ncccn3)c2C#N)cc1"]
["44298604","OCCCSc1ncccc1C(F)(F)F"]
["183078609","[N-]=N[N+]#Sc1nc2c(Sc3cc4ccccc4s3)c(Sc3nc4ccccc4[nH]3)c(Sc3nc4ccccc4s3)nc2c(Sc2cnc3ccccc3n2)c1Sc1ccc2ccccc2n1"]
["85080715","COCC(O)c1ccc2ccccc2n1"]
["101244354","CSc1nnc(-c2ccc3ccccc3n2)s1"]
["100038132","CN(C)c1ccc(C#CCN=C(O)CSc2nc3ccccc3s2)cc1"]
["130724572","CN1CCCC(CN=C(O)CCSc2nc3ccccc3s2)C1"]
["12206598","OC(=Nc1nc2ccccc2s1)c1cnccc1C(F)(F)F"]
["127336672","COCCOc1ccccc1NC(O)=NCC(O)c1cc2ccccc2s1"]
["80685796","OC1=NCCNC1C(O)=Nc1ncccc1-c1nc2ccccc2[nH]1"]
["145799067","OC1CCCCC1NCc1ccc(-c2nc3ccccc3s2)o1"]
["29795629","O=c1c2cnn(-c3ccc4ccccc4n3)c2nc(-c2ccccc2F)n1-c1ccc(Br)cc1"]
["MCULE-5486617129","C#CCOc1cn(CCCCN2CCCC2)c(CSc2nc3ccccc3s2)cc1=O"]
["104225503","C[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(O)=Nc1ccc2nc(O)[nH]c2c1"]
["175749059","O=PC(O)(CO)N1CC[NH+](CP(=O)(O)CCC(=O)O)CC[NH+](C(O)(CO)P=O)CC1"]
["1066294","CC(C)N.O=C(O)CNCP(=O)(O)O"]
["65897926","CC(C)CC(CN=C(O)CCCC(=O)O)N1CCOCC1"]
["90262039","CC(C(O)=[NH+]c1cc(Cl)ccc1Cl)N1CC[NH+](CC(=O)N2CCCC2)CC1"]
["92268689","CC(CN=C(O)CCCC(=O)O)S(C)=O"]
["79490814","O=P(O)(O)/N=C1\\CC=CC(O)=C1C(O)(O)CCc1ccc(O)cc1"]
["151897311","COc1c(C)c2c(c(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c1C[C@H]1C[C@]1(C)CCC(=O)O)C(=O)OC2"]
["93166717","O=C(O)CCN=C(O)NC1CC=CC1"]
["21283796","CC(C)(C)C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1"]
["79058672","CC(C)(CO)C(O)C(O)=NCCC(=O)O.CNCCO"]
["MCULE-2732309979","CC1CNCCN1C(=O)CCCCCCCCC(=O)O"]
["153622400","O=C(O)[C@](O)(CO)[C@@H](O)[C@H](O)COP(=O)(O)O"]
["188174306","O/C=C(\\O)C(O)O/C(=C\\O)C(O)O/C(=C\\O)C(O)OC=C(O)C(O)O/C(CO)=C(/O)C(O)OCCOCCCl"]
["194398632","COc1cccc(C=Nc2ccc(Cl)cc2OCCOCCCl)c1"]
["43521497","CC1CCC(OCCOCCCl)CC1"]
["199859297","C#CC[C@@H](COCCOCCCl)N=C(O)OC(C)(C)C"]
["176653132","CCCOCCO[C@@H](C)C(O)C[C@@H](O)CO"]
["MCULE-9646443899","Cc1nc(Br)cnc1N=C(O)COCCOCCCl"]
["13864182","Cc1ccc2c(c1)C(=O)C(=O)N2CCOCCCl"]
["90944648","OCCOc1ccccc1OCCOCCOCCCl"]
["MCULE-8917204822","Cc1cc(=NC(=O)COCCOCCCl)[nH]cc1C#N"]
["123586709","COCCOCCN=C(O)C(C)(C)c1ccccc1Cl"]
["79282311","C#CCCOCCOCCOCCCl"]
["179575386","CNc1cc(Cl)c(OCCOCCCl)cc1NC"]
["99404239","CC1=Cc2c(C)ccc(C)c2C1C1=C(C)SC2C=c3sc(C)c([Si](C)C)c3=C12"]
["50566408","Cc1cc(-c2onc(N)c2-c2cccc(Cl)c2)sc1C"]
["175506358","CC(=N)N1C(=N)C(CC(=O)OC(C)(C)C)N=C(c2ccc(F)cc2)c2c1sc(C)c2C"]
["23094164","COC(=O)CC1SC2=C(C(O)=Nc3ccc(C)c(C)c3)C(c3ccccc3Cl)C(C#N)=C(N)N2C1=O"]
["168784850","CC[SiH]1c2cc(C)c3c(c2-c2ccc(C)cc2)C1C(C)=C3"]
["164173761","Cc1ccc(F)c2nc(C(CN)c3ccc(F)cc3)nc(O)c12"]
["80514027","CC(O)=NC1CC(c2cc(F)cc(F)c2)OC(c2c(C)cccc2C)C1"]
["188639069","Cc1ccc2c3c1C=C(C(C)(C)O)C(O)C3OC2=O"]
["168958396","Cc1cccc(F)c1-c1cc(F)c2nc(N=C(O)[C@@H]3C[C@@H]3F)sc2c1"]
["98735735","Cc1cc2c(cc1C(N=O)c1ccc(C3C(=O)CCC3=O)cc1)C(C)(C)CCC2(C)C"]
["11226489","Cc1cc(F)ccc1[N-]S(=O)(=O)[C@@H]1CC[C@@H]([C@@H]2C=CN=N2)S1"]
["98004053","CC[Si](CC)(C1C=Cc2c(C)ccc(C)c21)C1C=Cc2c(C)ccc(C)c21"]
["97281799","[NH3+]CCc1cc(O)c(OC2=C([N+](=O)O)C3=C([N-]CC3)C(=O)C2=O)cc1[NH+](O)O"]
["32735974","COC(=O)[C@@H](N)Cc1cc(O)c(O)cc1F"]
["123795333","COC(=O)c1coc(C(=O)N2CCSc3ccccc32)c1"]
["97477105","COC(=O)CN(CC(N=C(O)OC(C)(C)C)C(C)C)S(=O)(=O)c1ccccc1[N+](=O)O"]
["62787842","CCOc1cc(C2/C(=C(\\O)c3nc4c(C)cccn4c3C)C(=O)C(=O)N2c2nccs2)ccc1O"]
["154114377","COc1cc(O)c2c(c1C)[C@](O)(C(C)=O)COC2=O"]
["97337285","CC(C)C1C(=O)N(CCc2ccc(O)cc2)C=CN1C(=O)c1cccc([N+](=O)O)c1"]
["77659000","COc1cccc(C(O)=C2C(=O)C(=O)N(CC[NH+](C)C)C2c2ccc(C(C)(C)C)cc2)c1"]
["48297577","CCOC(O)=NC(C(O)=NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C"]
["24172269","COC(=O)c1ccc([C@H]2C(=C(O)c3ccc4c(c3)CC(C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1"]
["4725449","CCO/C([O-])=C1/CN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)C1=O"]
["148154598","O=C(O)CCNS(=O)(=O)Cc1ccccc1Br"]
["171164594","CC(CC1C[Se]23(C[Se]1)(CC(CC(C)OS)[Se]2)[Se]C(CC(C)OS)CC31CC(CC(C)OS)[Se]1)OS"]
["42425280","COCC(C)NCC1CC1"]
["149762070","CCCC(C)CC1CC(C)(CC)C1"]
["92922422","CC(C)CC1CN(C2CC(C)(C)CC(C)(C)C2)CCN1"]
["174920188","CC(CC1CCC=C(O)C1)C(CN=C(S)S)N=C(S)S"]
["145839127","CCC(CC1CCCCC1)C(=O)N1CCC2(CC1)CC2C(=O)O"]
["43587641","CCC1CCC(NC(C)C)(C(=O)O)C1"]
["84653069","CCC1CCC(CN)(C(O)C(C)(C)C)C1"]
["95793962","COC1(C(CC2CCC2)NN)CCC(C)(C)CC1"]
["93682797","CCC(Cl)C(C)CC1CC1"]
["8280249","CC(C)[NH+](C[C@@H](O)COC(C)(C)C)C1CC1"]
["45933029","CCCC(C)CN1CC(CC)(CC)NCCC1C"]
["193955031","C.[CH3-].c1cc(C[N+]23CCCN4CCN5CCCN(CC2)C5C43)ccc1[CH-][N+]12CCCN3CCN4CCCN(CC1)C4C32"]
["20298433","COc1ccccc1C(=O)N1CCCN([C@H]2C=C(c3ccccc3)[NH+]=N2)CC1"]
["136503963","O=C(c1sccc1-n1cccc1)N1CCCN(C2CCCC2)CC1"]
["22868503","Fc1cccc(CN(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)c1"]
["140567911","N=C(O)c1ccccc1N=C(O)CN1CCCN(C2CCCC2)CC1"]
["44444344","O=C(c1ccc(Cl)s1)N1CCCN(CCO)CC1"]
["161052119","Cc1cc(C(=O)N2CCN(C(=O)C3CC3)C2)nn1C1CCCCC1"]
["175186610","C=C(/C=C\\C(C1=CC(Cc2ccc(CC3=CC=C(C)C3)cc2)=CC1)=C(C)C)CCC"]
["69706567","O=C(O)C(c1ccc(CCCO)cc1)N1CCCN(C2CCCCC2)CC1"]
["MCULE-9570922330","COCc1ccc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2F)cc1"]
["6670034","O=C(c1ccc(Cl)[nH+]c1)N1CCCN(C2CC2)CC1"]
["22753358","Cc1ccc(CN2CCN(C3CCCCCC3)CC2)cc1"]
["180342349","C=C/C=C\\C(=C/CNC(=N)[N-]C1NC=CC12CC2)NC(=N)C(=C)/C=C\\N"]
["161433866","C=C/C=C\\C(=C)OP1(OC2=C3CCC(=C(C)C2)C3)=NC(C)(C)CCCCC1(C)C"]
["180740568","C=C/C=C\\C(=C)C[C@@H](CN(C)C)NCO"]
["175919449","C=C1CN(/C(=C/C(=N)C(=N)c2cc(CC3(C)CC3)ccc2N)[N-]C)CCN1CCO.[U]"]
["175452597","C=C/C=C\\C(=C)c1ccccn1.CCC"]
["74719273","C=C(/N=C\\C=C/N)OC1CCN(C(=N)O)CC1"]
["195143900","C=C(NCc1cc(/C(N)=C/C)cs1)C1N(C(=C)CC)CC12CCC2"]
["170123891","C=C/C=C(\\C=C/Cc1cccc(C)c1)CC(=C(C)C)C(C(=C)NC1CC2(C1)CC(C(=C)C)C2)=C(C)C"]
["179738113","C=C/C=C\\C(C1=N/C(=C/C)C(/C=C\\N)N1)=C(/C)F"]
["80914217","C=CC1(C)C=CC(=C(C)C)CC1C(=C)C"]
["174031029","C=C/C=C(\\C=C(/COC)CC1CCCC1)C1(CN)CCCC(CC(=C)OC)C1"]
["187162805","C=C/C=C(\\C=C/C)C(N)C1CCCC1c1c(C)cc(Cl)cc1Cl"]
["150083500","FC(F)(F)c1ccc(CN=c2ccc(CC3C=NC4N=CCC=C34)c[nH]2)cc1"]
["19284898","C=CCN(Cc1[nH+]ccn1Cc1ccc(C(F)(F)F)cc1)C(=O)CC(C)C"]
["5710154","C[C@@H]1C(=O)C2=C(CN=N2)[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1"]
["88347705","CN=c1[nH]n(C)c(=O)n1-c1ccc(C(F)(F)F)cc1"]
["16943612","O=C(NCCN=C(O)CCCNC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1"]
["165546844","COc1ccc(CCN=c2ccc3nnc(C(F)F)n3[nH]2)cc1OC"]
["159541605","Cc1ccc(CN=C(O)N2CCC(N=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1"]
["85984287","OC(Cc1ccc(C(F)(F)F)cc1)C1CC2CC2C1"]
["222631","CN=c1nc(-c2nc(C3CC3)[nH]c2-c2cccc(N=C(O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc[nH]1"]
["52997499","COc1ccc(CCCN=C(O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1"]
["18160731","Cc1ccc(-c2nc([C@H]3CC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3)no2)cc1"]
["89926420","COc1ccccc1CN=c1ccc(C(O)=NC2CC2)c[nH]1"]
["172515989","COc1c(N)c2c3c4c1n2-c1c2c5c(OC)c(N)c1n5C42c1c2c(c4c5c1n45)n2-3"]
["33224554","COc1c(N2CCC(O)C(C(C)C)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12"]
["118484970","CN=C(NCc1cccc(OC)c1OC)N1CCC(CC(C)C)C1"]
["129039682","COc1c(C(O)=NCCOc2ccccc2)cnc2c1cnn2C"]
["7186398","CCOc1ccc(C(=O)N2CC[C@]3(C2)C(=O)N(C)c2ccc(OC)cc23)cc1"]
["62724486","COc1c(N)cccc1-c1cccc(N)c1"]
["56392833","COc1c(N2CC3CCC(F)(F)C(O)C3C2)c(F)c(N)c2c(O)nc(=O)n(C3CC3)c12"]
["192780985","CCS(=O)(=O)c1cccc(N)c1OC"]
["175466949","COC(=O)C1(C)C(=O)N(C)c2c(C)c(C(=O)O)c(N)c(C)c21.Cl"]
["144945359","COc1ccc(F)c(OC)c1-c1cnn(C)c1N"]
["200072185","COc1c([C@@H]2[C@@H](C)[C@@](C)(C(F)(F)F)O[C@H]2C(=O)N=c2ccn(O)c(C(N)=O)c2)ccc(F)c1F"]
["73938687","COc1cc(C)c(N)c(N)c1OC.COc1cc(C)c(N)c(N)c1OC"]
["188854007","O=C1C(=CC2=Cc3sc4c(c3C23CCCCC3)C2(CCCCC2)C2=CC(C=C3C(=O)c5cc6cc(F)c(F)cc6cc5C3=O)=S=C24)C(=O)c2cc3cc(F)c(F)cc3cc21"]
["74370358","COCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO"]
["188853447","O=C1C(=CC2=S=c3c4c(sc3=C2)C2=C(c3sc(C=C5C(=O)c6cc7ccccc7cc6C5=O)cc3C2(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C4(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C(=O)c2cc3ccccc3cc21"]
["134785660","CS(=O)(=O)c1ccc(S(=O)(=O)NC2(c3ccccc3)CCC2)cc1F"]
["92904593","O=C1C=C(NCC2(O)CCCCC2)CC1"]
["176364432","O=C(C1CCC(CN2CCC(c3ccc4c(c3)-n3c(nc(=O)c5c(Cl)cccc53)C43CCCCC3)CC2)CC1)N1CCN(c2cc(F)c(N3C(=O)CCCC3=O)cc2F)CC1"]
["145262486","N=C(O)C1=C(O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4/C(=C\\c4ccc5c(c4)OCO5)[C@H]3[C@H](O)[C@H]2CC1=O"]
["MCULE-1102269883","O=C1C(Nc2cccc(C(F)(F)F)c2)=C(c2cccc3ccccc23)C(=O)N1C1CCC2(CC1)OCCO2"]
["196460934","CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cccc3c1CCC3=O)C2"]
["88227004","CNC1(Cc2nc3cc(Cl)c(F)cc3o2)CCCCC1"]
["CSSS15560321923","O=C(O)C1(n2ncc3c(O)ccc(F)c3c2=O)CCCCC1"]
["MCULE-3207870325","Cc1n[nH]c(C)c1-c1c(F)cc(C(=O)N2CCCC(=O)c3ccccc32)cc1F"]
["180284556","C=CC1C(SC2C(F)C(F)C(F)C(I)C2F)C(F)C(SC2CC(F)C(F)C(F)C2I)C(I)C1SC1C(F)C(F)C(F)C(F)C1F"]
["75153151","O=S(=O)(O)C1CC(F)C(F)C(F)C1F"]
["179885202","C=CC1CCC2C(CCC3C(F)C(F)C(F)CC23)C1"]
["178138365","C=CC1CC2CC3CCCC4C5CC(C)C6C7CCC8C9C(F)C(C)C%10C%11C(F)C(C)C%12C%13C(F)C(F)CC%14CC%15CC(F)C(F)C%16C%15C(C%14%13)C%13C%12C%11C%11C%12C(C(F)C(F)C%16C%12%13)C%12C(F)C(F)C%13C%14CCC%15C%16CCC%17C(C1C)C2C(C34)C1C%17C%16C(C6C51)C1C7C8C(C%14C%151)C1C9C%10C%11C%12C%131"]
["194654774","C=CC1CC(C)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF)C1"]
["170081276","C=CC1=CCC(C2(C3C=CC(F)=C(F)C3F)C3=CCC=CC=C3C3C=CC=CC32)C=C1"]
["180738443","[B]C1CC(C(=O)O)C(CCC2CCC(I)C=C2O)C(F)C1F"]
["162173997","C=CC1C2CC3C(OCC13)C2=O"]
["179291306","OC1CCC2CC(C3CC(F)C(I)C(I)C3)CCC2C1"]
["184501370","CC(=O)C1CC(F)C(I)C(F)C1F"]
["177108081","C=CC1C(F)C(F)C(Sc2nnc(SC3C(F)C(F)C(C=C)C(F)C3F)s2)C(F)C1F"]
["180433802","C=CC1C(CCC2CC2I)CCC(C)C1C"]
["162027666","C[SiH]1O[Si]2(c3ccccc3)O[Si](C)(c3ccccc3)O[Si]34CO[Si]5(c6ccccc6)O[SiH](C)O[Si](O)(c6ccccc6)O[Si](c6ccccc6)(O2)O[Si](c2ccccc2)(O5)C3(c2ccccc2)O[Si](c2ccccc2)(O1)O4"]
["66910397","CCN(CC)C1(C)CC=CC2C(C)(c3ccccc3)C21O"]
["129062173","OC(=NN=c1cc[nH]cc1)C1(c2ccccc2)CCOCC1"]
["613496","C[C@@H]([C@H]1COC(c2ccccc2)(c2ccccc2)O1)[N+](C)(C)C"]
["132284122","CCn1nccc1C=CC(O)=NCC1(c2ccccc2)CCC1"]
["124925259","CC1CC(NC(O)=NCC2(c3ccccc3)CCOCC2)CN1C1CC1"]
["96833687","COc1ccc(OC)c2c1CC1(Cc3cccc(Br)c3C1)C2(O)c1ccccc1"]
["191690364","CC1(C)N[Si]2(c3ccccc3)O[Si](c3ccccc3)(OC1(C)C)C(C)(C)C2(C)C"]
["161358855","CCC1(CC)C[C@@](c2ccccc2)(N(C)c2ccccc2C)CC[C@@]12CN(CC(=O)O)C(=O)N2C1(O)CCC1"]
["81435987","CN1CCC(N2CC(c3ccccc3)(C3CCCC3)N=C2O)C1"]
["46539739","CCC(C)(C)C1(c2ccccc2)OCc2ccccc21"]
["136632279","Cc1cc(N=C(O)CN2CCC(C)(c3ccccc3)CC2)on1"]
["76239041","[6CH3][6C]([6CH3])([6CH3])[14Si]([6CH3])([6CH3])[8O][6CH2][6C@H]1[8O][6C@H]([8O][6C@@H]2[6C@H]3[8O][6C]4([6CH2][6CH2][6CH2][6CH2][6CH2]4)[8O][6C@H]3[6C@H]([8O][15P](=[8O])([8O][6CH2][6c]3[6cH][6cH][6cH][6cH][6cH]3)[8O][6CH2][6c]3[6cH][6cH][6cH][6cH][6cH]3)[6C@@H]3[8O][6C]4([6CH2][6CH2][6CH2][6CH2][6CH2]4)[8O][6C@@H]23)[6C@H]([7N]=[7N+]=[7N-])[6C@@H]([8O][14Si]([6CH3])([6CH3])[6C]([6CH3])([6CH3])[6CH3])[6C@H]1[8O][14Si]([6CH3])([6CH3])[6C]([6CH3])([6CH3])[6CH3]"]
["76238856","[6CH3][6CH2][6CH2][6C](=[8O])[8O][6CH2][6CH]1[8O][6CH]([8O][6CH]2[6CH]([7N]=[7N+]=[7N-])[6CH]([8O][6CH]([6CH3])[6CH]([7N]=[6C]([8OH])[8O][6CH2][6CH]3[6c]4[6cH][6cH][6cH][6cH][6c]4-[6c]4[6cH][6cH][6cH][6cH][6c]43)[6C](=[8O])[8O][6C]([6CH3])([6CH3])[6CH3])[8O][6CH]3[6CH2][8O][6CH]([6c]4[6cH][6cH][6cH][6cH][6cH]4)[8O][6CH]32)[6CH]([8O][6C](=[8O])[6CH2][6CH2][6CH3])[6CH]([8O][6C](=[8O])[6CH2][6CH2][6CH3])[6CH]1[8O][6C](=[8O])[6CH2][6CH2][6CH3]"]
["69491779","[6CH3][8O][6C](=[8O])[6C]1=[6CH][8O][6C@@H]([8O][6CH]2[8O][6CH]([6CH2][8OH])[6CH]([8OH])[6CH]([8OH])[6CH]2[8OH])[6C@H]2[6C@@H]1[6CH]=[6CH][6C@@]2([8OH])[6CH2][8O][6C](=[8O])[6C]1=[6CH][8O][6C@@H]([8O][6CH]2[8O][6CH]([6CH2][8OH])[6CH]([8OH])[6CH]([8OH])[6CH]2[8OH])[6C@H]2[6C@@H]1[6CH2][6CH2][6C@]2([6CH3])[8OH]"]
["76238686","[6CH3][6C](=[8O])[8O][6CH2][6C@H]1[8O][6CH]([8O][6CH2][6CH]([7N]=[6C]([8OH])[8O][6CH2][6CH]2[6c]3[6cH][6cH][6cH][6cH][6c]3-[6c]3[6cH][6cH][6cH][6cH][6c]32)[6C](=[8O])[8O][6CH2][6c]2[6cH][6cH][6cH][6cH][6cH]2)[6CH]([7N]=[6C]([6CH3])[8OH])[6C@@H]([8O][6C]([6CH3])=[8O])[6C@H]1[8O][6C]([6CH3])=[8O]"]
["76239045","[6CH3][6C@@H]1[8O][6C@@H]([8O][6C@H]2[6C@@H]3[6CH]=[6CH][8O][6C@@H]([8O][6C@@H]4[8O][6C@H]([6CH2][8OH])[6C@@H]([8OH])[6C@H]([8OH])[6C@H]4[8OH])[6C@@H]3[6C@@]3([6CH2][8O][6C](=[8O])/[6CH]=[6CH]/[6c]4[6cH][6cH][6c]([8OH])[6c]([8OH])[6cH]4)[8O][6C@@H]23)[6C@H]([8OH])[6C@H]([8OH])[6C@H]1[8OH]"]
["76239063","[6CH3][8O][6C@@H]1[6C@@H]([8OH])[6C@H]([8O][6C@H]2[6CH2][6CH2][6C@@]3([6CH3])[6C@H]([6CH2][6CH2][6C@@H]4[6C@@H]3[6CH2][6CH2][6C@]3([6CH3])[6C@@H]([6C]5=[6CH][6C](=[8O])[8O][6CH2]5)[6C@@H]([8OH])[6CH2][6C@]43[8OH])[6CH2]2)[8O][6C@H]([6CH3])[6C@H]1[8O][6C@@H]1[8O][6C@H]([6CH2][8OH])[6C@@H]([8OH])[6C@H]([8OH])[6C@H]1[8OH]"]
["69492102","[6CH2]=[6C]1[6CH]2[6CH2][6CH2][6C@@H]3[6C@@]([6CH2][6CH2][6CH]4[6C]([6C](=[8O])[8OH])([6C](=[8O])[8OH])[6CH2][6C@@H]([8O][6CH]5[8O][6CH]([6CH2][8OH])[6CH]([8OH])[6CH]([8OH])[6CH]5[8O][6C](=[8O])/[6C]([6CH3])=[6CH]\\[6CH3])[6CH2][6C@]43[6CH3])([6CH2]2)[6C@H]1[8OH]"]
["76239046","[6CH3][6C](=[8O])[8O][6CH2][6C@]1([8OH])[6C@H]([6CH2][6CH2][8O][6CH2][6c]2[6cH][6cH][6cH][6cH][6cH]2)[6CH2][6CH2][6CH2][6C@@H]1[6CH2][6C@H]([6CH3])[6C@@H]1[6CH2][6c]2[7n][6c]1[6c](-[6c]1[6cH][6cH][6cH][6cH][6cH]1)[6c]1[6cH][6cH][6c]([7nH]1)[6c](-[6c]1[6cH][6cH][6cH][6cH][6cH]1)[6c]1[7n][6c]([6c](-[6c]3[6cH][6cH][6cH][6cH][6cH]3)[6c]3[6cH][6cH][6c]([7nH]3)[6c]2-[6c]2[6cH][6cH][6cH][6cH][6cH]2)[6CH]=[6CH]1"]
["173789933","[B+]CNC[C-]1C=CC(C2C=C(C3=C(N)[N-][CH-]C(=C4C=[C-]C(=S(=O)(O)C([B+])(C([B+])([B+])[B+])C([B+])([B+])[B+])C=C4)[N-]3)O[N-]2)=C[CH-]1"]
["184891766","[B]=C1c2c(CC([B+])([B+])C(=O)[O-])c(C([B+])(C)C)n(C3=C[CH-][C-](F)C=C3)c2C(=[B+])C2C(=[B+])N[N-][C-]12"]
["173686219","[B]C([B+])([B+])C(N=C([O-])C1=C=C(c2cc3c(C(=O)NC)c(-[c-]4[cH-]cc(F)[cH-][cH-]4)oc3cc2N(CC)S(C)(O)O)CC[C-]1OC)(C([B+])([B+])[B+])C([B+])([B+])[B+]"]
["173789944","[B+]C([B+])([B+])C(C([B+])([B+])[B+])S(=O)(O)=C1[C-]=CC(=C2C=NC(N)=C(C3=CC(C4=C=CC(CNC)C[CH-]4)[N-]O3)[N-]2)C=[C-]1"]
["171581064","NCCN=C(O)Nc1ccc(NN=C(O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)O)cc1"]
["69945552","N=C(N)NCCNCCc1cc([C@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)no1"]
["173209492","[NH-]c1ccc2[n-]c3c(Cl)c4oc5c(S(=O)(=O)O)c(N)ccc5[nH]c4c(C4C[I+]4)c3oc2c1S(=O)(=O)O"]
["185596805","CC([O-])=NC(CCS(=O)(=O)O)CC(C)(C)[C@H]1OCOC(C2=CCC(=O)C=C2)OC1=O"]
["180282971","C[C@@H](OC1=CC2[N-]C(=C3C=CC(c4ccc(N=S(C)(C)=O)cc4)=C[CH-]3)C(I)=C=C2N1)[C@@H](F)[CH+]C[O-].[U+2]"]
["73943331","CC[N+]1(C2CCCCC2)[N-]C=CC1=C1[N+]#[N+]C(CS(C)(=O)=O)=[O+]1"]
["22710208","Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1N=Cc1cccc(Cl)c1"]
["192385117","C.CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@H](CC(=N)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1.CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@H](CC(=N)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1"]
["177966765","CC(CC1CCn2c(C(C)CC3CCc4c3c3c(n4C(C)C)CCC3)c3c(c21)CCC3)c1c2c(n3c1CCC3)CCC2"]
["127644288","CC(Sc1ncccc1C(=O)N=c1cc[nH]cc1F)C(=O)N1CCCC1"]
["160467099","CCc1ncc(S(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)s1"]
["103803989","CCN=C(O)N=C(O)CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1"]
["61243071","CC(C)NCC1CCCCN1c1ncnc2c1CCC2"]
["177918918","Cc1c(S(=O)(=O)NC2C3CCC2CC(O)(CO)C3)c2n(c1C(O)=Nc1ccc(F)c(F)c1)CCC2"]
["135334203","Cc1ccccc1C(N=C(O)N1CCCC1Cn1ccnc1C)C(C)(C)C"]
["124303978","CC(CNC(=O)C(O)=Nc1ccc(NC(=O)C2CC2)cc1)CN1CCCC1"]
["25374767","N=C(O)c1c(Br)c(-c2cccnc2Cl)n2c1CCCC2"]
["107002011","CC(C)n1cnc2c1CCC[C@H]2[C@@H](C)CN"]
["52234918","CC(C)Cc1ccc(C(C)C=C2CCC(CN3CCCC3)C2=O)cc1"]
["102704877","CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(O)=NC[C@H]3CCCO3)ccc21"]
["191988548","[B+]CC1=C(C[B+])C(C([O-])Oc2cc(O[C-]([O-])c3cc(C=[B+])cc(C[B+])c3C[B+])c([C-]([O-])OCCS(=O)(=O)[O-])c(O[C-]([O-])c3cc(C[B+])cc(C[B+])c3C[B+])c2)=C[C-](C[B+])[CH-]1.[B+]Cc1cc(C[B+])c(C[B+])c([C-]([O-])Oc2cc(O[C-]([O-])c3cc(C[B+])cc(C[B+])c3C[B+])cc([C-]([O-])OCCS(=O)(=O)[O-])c2)c1"]
["193109750","[B+]CC1=C(C[B+])[C-](C[B+])[C-](C=[B+])C(C[B+])=C1C([O-])OC12CC3CC(C1)CC(C([O-])OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2"]
["176379861","CCl.[B+]C([B+])(CC([B+])([B+])C(=O)N1C[C@@H](CCl)c2c1cc(O[C-](C)[O-])c1scc(C)c21)C(=O)N1C[CH-]c2c1cc(OC(C)[O-])c1scc(C)c21"]
["62350364","N#C[C@H](C=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]
["190864561","[B+]Cc1cc(C)c(OC(=O)CCCC([O-])OCCS(=O)(=O)[O-])c(C[B+])c1"]
["69593920","COCC(C)Oc1cc(N)cc(Oc2ccc(S(C)(=O)=O)cc2)c1"]
["102365850","CCN=C(O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1"]
["191217260","COC[C@H](C)O.COC[C@H](C)Oc1cc(C#N)cc(Oc2ccc(S(C)(=O)=O)cc2)c1.CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)cc1"]
["170957955","CC1CN(CCc2cc(C#N)cc(C#N)c2)CC1COc1ccc(S(C)(=O)=O)nc1"]
["190245264","[B]Cc1cc(C[B+])c(C[B+])c(C(=O)Oc2ccc(C([O-])OCCS(=O)(=O)[O-])c3ccccc23)c1"]
["28499863","COC[C@H](C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(-c2ccc(C3=NC[C@H](C)O3)[nH]2)c1"]
["190866578","[B+]Cc1c(C[B+])c(C[B+])c(C([O-])OC#CC([O-])OCCS(=O)(=O)[O-])c(C(=O)[O-])c1C[B+]"]
["67263143","CC(C)=C(C)CC/C(C)=C(\\C)CCC(CC/C(C)=C(\\C)C(CC/C(C)=C(\\C)CCC(C)=C(C)C)=C(C)C)=C(C)C"]
["150663586","C=C(N)/C(CC)=C(/C)CCC"]
["78121310","CC[C](N)C(C)=C(CC)CC"]
["98538916","[CH-]=C(C)/C=C(/C)C(CCCC)=C(C)C"]
["173023146","CCC.CCC(C)=C(C)C"]
["149790482","CCCCC(CC(C(C)C)C(C)CC)=C(C)C"]
["59516534","CC(C)=C(C)CCCl"]
["96644864","C/C(C(=O)O)=C(/CCC(=O)O)C(=O)O"]
["186738769","C=C(C)N(C)CC(C)=C(C)C"]
["99629480","CCC(C[O+]=[Si-])=C(C)C"]
["79965337","CC(C)=C(C)CS(=O)(=O)O"]
["100188477","CC(C)=C(C)CS(=O)O"]
["166683790","N=c1c(F)c(F)c2c(=N)/c(=N\\S)c(F)c(F)c=2c1=N"]
["97533185","[CH+]=Cc1c(F)c(F)c([O-])c(F)c1F"]
["184426894","[NH2+]=C1C(F)=CC=C(S(=O)(=O)Cl)C1=NS"]
["164728961","FC1=CC=C=C[CH]1.[HH].[Rh]"]
["187525703","O=NCc1c(F)c(F)cc(P)c1P"]
["28341409","C[C@H](Cc1ccccc1)NC[C@H](O)c1cccc(Cl)c1F"]
["166682736","N=C1C(N)=CC=C/C1=N/S"]
["179066803","CCN(CC)C1=CC(=CC=N)C(=NN=C2C=CC(=N)C=C2)C=C1"]
["185281274","OB(O)c1c(F)c(B(O)O)c(F)c(B(O)O)c1F"]
["94464462","CC(C)N=C(O)CCNCc1cccc(Cl)c1F"]
["101477146","Cc1c(S)ccc(N)c1F"]
["168946829","Fc1cc(CCCS)cc(F)c1F"]
["33051995","[2H]c1cccc([2H])c1C(N)c1c([2H])cccc1[2H]"]
["48993967","Nc1ccccc1Cl.OC1CCCC1"]
["103337569","CC[C@@H](c1ccccc1)[C@@H](N)c1ccc(F)cc1F"]
["88827620","CCC[C@@H](N)C(O)=NCc1c(F)cc(F)cc1F"]
["84014150","IC(I)[Si](c1ccccc1)(c1ccccc1)c1ccccc1"]
["88159811","Cc1ncc(C(N)CO)c(O)n1"]
["183569328","O=[N+]([O-])C(OP(=O)(O)CP(=O)(O)O)c1ccccc1"]
["174639769","CC.CC.CN=C(O)C(O)c1ccccc1"]
["183355811","CC(CCC(c1ccccc1)c1ccccc1)OS(C)(=O)=O"]
["157368362","CC(C)(C)c1cccc([C@@H](N)C(F)(F)F)c1.Cl"]
["42895135","CCCC(N)c1ncc(-c2ccc(C)o2)[nH]1"]
["61248599","CSC(c1ccccc1)C(N)c1ccccc1"]
["180138156","O=C=c1cccc(C(=O)c2cc[c-]3c(=O)oc(=O)[c-]3c2)c1=C=O.[U+2]"]
["97677350","COC(=O)[C@@]1([C@H](O)c2ccccc2)CC(c2cccc([N+](=O)O)c2)=NO1"]
["100593469","NC(=O)c1cccc(-c2nccnn2)n1"]
["141789683","O=C(CO)N1CCOC(c2ccc(F)c(Br)c2)C1"]
["143675506","Cc1cccc(C)c1C(=O)N1CC(c2ccccc2)OCC1C"]
["MCULE-5690024154","O=C(c1ccccc1)c1ccccc1C(O)=NC(Cc1ccccc1)C(=O)N1CCN2CCc3c(F)cccc3C2C1"]
["112162896","CC1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1O"]
["19375931","Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1"]
["49842122","N#CC(=C1OC(=O)N=C1O)c1ccccc1"]
["113930182","COC1CCN(C(=O)c2cc(S)cs2)C1"]
["112070094","CC(CC#N)N(C)C(=O)c1cccc([N+](=O)[O-])c1O"]
["65285200","COc1ccc2c(ccn2C(=O)C(C(=O)c2ccccc2)c2ccccc2)c1"]
["83557133","N1ONC2NC3NC4NONC4NC3NC12"]
["91594328","O=NN1C2NONC2N([N+](=O)[O-])C2NONC21"]
["191104813","CC1COC(CO)N1.Cl"]
["74843557","CC1COC(N)N1"]
["169826905","CS(C)(C)C1NCCO1"]
["96971257","c1ccc([C@@H]2CO[C@H]3N[C@H](c4ccccc4)CO[C@H]3N2)cc1"]
["174576656","C1CCC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3CCCCC63)C3CCCCC53)C3CCCCC43)C2C1.O=[C-]O.[Co]"]
["70504560","NC1N=C(O)C2NONC2N1"]
["165272210","N1C2OC3NC2OC2OC3OC12"]
["90668283","N=C1NC2OCCOC2N1"]
["100310383","FC(F)(F)C1NO1"]
["84969457","Cc1ccc(C(CBr)(CBr)CC2CCCO2)cc1"]
["178975745","N=C/C=C/CC(/C=C/N=CCl)CBr"]
["182183862","[N-]=[N+]=NCC(Br)C=CCCBr"]
["155077257","C=CC[C@@H](F)CBr"]
["198139182","CC(C)/C=C/CC1=COC(=O)C1"]
["180697254","C=C(C)C=N/C=C/[C@H](C)F"]
["197337303","CC(CBr)c1cnc2[nH]cnc(Cl)c1-2"]
["81022297","CC(C)C=CCC(C)C=O"]
["169810196","C=N/C=C\\C(C)/C=C\\C=N"]
["185662344","CC(C)C=CC[C@@H](C)CBr"]
["175556708","ClC(C=Cc1cccs1)CBr"]
["144168429","C=C/C=C/C=N/C=C/C=N.CC"]
["197060381","[2H]C(Cl)(Cl)CBr"]
["172346359","[CH-]CC[CH+]Cl.[In]"]
["172360757","[CH-]CC[CH+]N(O)C(=O)CC#Cc1ccccc1.[In]"]
["153015306","[CH-]=CCC[CH+]Br"]
["79142558","OCC[N+](Cl)(Br)CCO"]
["79935174","CCCl.CO"]
["161747011","[CH-]CC([CH2+])CC#N.[In]"]
["172499672","[CH+]C[CH-].[W].[W]"]
["79436893","[CH+]CCCCCCCCC[CH-]"]
["181912777","[CH2]CCl.[In]"]
["79157145","CCCl.[Be]"]
["78312159","[S-]CCCCC[CH+]S"]
["171780687","[CH-]CCC[CH2+].[In]"]
["25074957","O=C(C(=O)[C@@](O)(C(=O)C(Cl)(Cl)Cl)[C@](O)(C(=O)C(Cl)(Cl)Cl)[C@@](O)(C(=O)C(Cl)(Cl)Cl)[C@@](O)(C(=O)C(Cl)(Cl)Cl)C(O)(C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"]
["178415537","CC(C)(Cl)OC(=O)OC(C)(Cl)Cl"]
["48120109","CC(C)=O.O=C(C(F)(F)Cl)C(F)(F)Cl"]
["96686800","CC(C)CN(CC#N)C(=O)C(Cl)(Cl)Cl"]
["99117658","Cc1ccc(CO)cc1.O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"]
["107926852","CC(C)(C)C(=O)[C@](O)(C(=O)O)[C@@](O)(C(=O)O)C(=O)C(C)(C)C"]
["27001631","CC(C)N(SC(Cl)C(Cl)(Cl)Cl)S(=O)(=O)CF"]
["168279181","O=C([C@@H]1O[C@@H]1c1ccccc1)C(Cl)(Cl)Cl"]
["81588211","CC=CC(=O)C(Cl)(Cl)Cl"]
["79470890","O=C(CO)C(Cl)(Cl)C(O)=NCl"]
["61295657","O=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl"]
["166519214","CC(C)CC(=O)C(=O)N(CC(F)(F)F)C(C)C"]
["171486229","c1c[pH]c2c3pc[pH]c3cc-2c1"]
["11464625","O=C1OC(c2ccccc2)=C/C1=C\\c1ccccc1"]
["45812593","CC1(C)CC(c2cccc(Cl)c2)=CC(N)C1"]
["144704852","Cc1ccc2cnc(-c3cccc(Cl)c3)n2c1"]
["91248200","NC=C1C=C(c2ccccc2)OC1=O"]
["67089819","FC1(F)N2CC=BC2=Cc2cccn21"]
["32756649","C=C1CN=C(c2cccc(Cl)c2)O1"]
["224682","N=c1[nH][nH]c2nnc(-c3ccccc3)cc12"]
["168366601","Cc1cccc(N=Nc2c(-c3ccc(O)cc3)n[nH]c2O)c1"]
["177076134","CC(C)(C)c1cc(-c2cccc(F)c2)[nH]n1"]
["93281017","CCN=c1[nH]c(-c2cccc(C(F)F)c2)ncc1Br"]
["24746365","N#CCCC(C#N)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O"]
["79587461","[15S]"]
["192266679","BrSBr.[Hg]"]
["196016457","BrSBr.P"]
["78129502","BrSBr.[P]"]
["61587766","BrSBr"]
["191664840","Br.BrSBr"]
["191459308","BrSBr.[Ag]"]
["193518452","BrSBr.S"]
["194278933","BrSBr.C"]
["175885147","BrSBr.[Na+]"]
["175671199","[69Kr]"]
["78121590","BrI.[Ag].[I]"]
["49484050","BrI.[Ag]"]
["173958796","[GeH2]I.[GeH2]I"]
["79769675","[17C]"]
["78241942","BrI.[Hg]"]
["174367733","[SeH]I.[Zn]"]
["23706000","BrI"]
["79780332","BrI.[Pb]"]
["50443700","BrI.[Ag+]"]
["168921014","I[131I]"]
["193674651","BrI.[B]"]
["174327096","C[C@@H]1CN(NC2CN(N)[C@@H](C)CO2)CC(NN2CCO[C@@H](C)C2)O1"]
["74877271","CC(C)Oc1ncc(-c2cc3ccnc([O])c3c(Nc3ccc(N4CCO[C@H](C)C4)nc3)n2)cn1"]
["67773164","CC1CN(Cc2cccc(C(=N)S)c2)CCCO1"]
["67799244","CC1CN(c2ncc(CNC(C)(C)C)cc2Cl)C(C)CO1"]
["22018538","CC(C)c1ccccc1NC(O)=NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1"]
["18566092","CCc1ccc([C@H](C)C(=O)N2C[C@@H](C)OC[C@@H]2C)cc1"]
["132183878","CSc1ncc(C(=O)N2CCCO[C@@H](C)C2)n1-c1ccc(F)cc1"]
["169773789","CC1CN(c2cc(F)c(-c3cnc(N4C[C@@H](C)O[C@@H](C)C4)nc3)cc2Nc2ncnc(Cl)c2N)CCN1C"]
["116756872","CN=C(NCC(c1cccs1)N1CCOC(C)C1)NC1CCN(C(=O)C2CCCC2)C1.I"]
["114565700","Cc1cc(O)ccc1C(=O)N1CC(CBr)OCC1C"]
["147265286","CC(C)C1CN(C(=O)[C@@H](C)N)CCO1.Cl"]
["151647690","C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)[C@@H](C)CO1"]
["91079284","s1s[se][se][se][se]s1"]
["170849691","s1ssss[se]sss1"]
["170849615","s1[se]s[se][se][se][se]1"]
["91008117","s1ss[se][se]ss1"]
["170847674","s1[se][se][se][se][se][se]1"]
["193306096","C.s1s[se]1"]
["170849735","s1ss[se][se][se]s1"]
["170849614","s1ss[se]s[se]s1"]
["91008127","s1sss[se]ss1"]
["170849616","s1s[se]ss[se]s1"]
["91535116","s1s[se][se][se][se][se]1"]
["91079285","s1s[se][se]s[se][se]1"]
["91266723","P=CC1=[P+]=P1"]
["193656488","ClC=C(Cl)Cl.Oc1cccc(O)c1"]
["181834588","P=CN(C=P)C=P"]
["173085130","Nc1ccccc1C=P"]
["187939024","C/C=C1\\CC2CC(C1)N(C)C2"]
["173235311","Oc1ocnc1C=P"]
["189199148","P=CCCS"]
["58516088","Cc1ccc(C(=N)Cl)c(N)c1"]
["95319842","Cl/C=C(/Cl)CNc1cc(Cl)c(Cl)cc1Cl"]
["170403658","C=Cc1pc(C=C)c(C=C)pc1C=C"]
["81888683","C/C(=C\\c1ccc(C=P)cc1)C(=O)O"]
["178304882","C=CCC(N)(CO)c1ccc(Cl)c(Cl)c1"]
["173109643","CCC1=C(n2nc(C(F)(F)C(F)(F)F)cc2CC)C(Cl)(n2cc(Cl)c(Cl)n2)N(n2nc(I)c(-n3nc(CC(F)(F)F)cc3CC)c2Cl)N1n1nc(Br)c(-n2nc(C(F)(F)F)cc2CC)c1Cl"]
["42029688","CCSc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1Br"]
["MCULE-8414325356","CCn1cc(OCC(O)=Nc2ccc(OC)c(Cl)c2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1"]
["MCULE-4842703681","CC(C)c1cc(-n2nc(CO)c(I)c2C(F)(F)F)ccn1"]
["48351909","Cc1nn(CCCN=C(O)CCn2nc(C(F)(F)F)cc2C2CC2)cc1Cl"]
["92465308","CCc1cc(CC(NC)c2ccc(F)c(OC)c2)n(C)n1"]
["MCULE-3378495370","Cc1cc(-n2nc(CC(C)C)c(I)c2Cl)c(F)cn1"]
["75657969","OC(Cc1ccc(C(F)(F)F)c(F)c1)=NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]
["88205038","CCc1cc(CC)n(-c2nc(=NC)[nH]cc2Cl)n1"]
["191997414","Cn1cc(Cl)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)n1.Cn1ccc(Cl)c1C(O)=Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(N=C(O)c2c(Cl)c(C(C)(F)F)nn2C)cc1F"]
["30289770","CCCCOC(O)=NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C2=CCCC=C2)cc1"]
["66103703","CCC(C)N=C(O)C(C)Cn1nc(C(F)(F)F)cc1C1CC1"]
["172443077","[O-]C(=[Si](O)O)[Si+](O)O"]
["195982283","O=C([O-])[O-].O=S(O)O.[Ca+2]"]
["69647043","C=C([O-])[O-].[W]"]
["170560070","CC(=O)[O-].[O-][Si]([O-])([O-])O.[Sn+4]"]
["68613200","CC(=O)[O-].O.[Cu+]"]
["46195906","CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]"]
["78224724","CCC(=O)[O-].CCC(=O)[O-].[S+2]"]
["183524307","O=C([O-])N1C=CN(C(=O)[O-])C1"]
["69654813","C=C([O-])Cl.[V]"]
["192597822","C.CC(=O)[O-].[Li+]"]
["175845835","CC(O)[Si](=O)O"]
["172157038","O.O=C([O-])[O-].[Gd+2]"]
["175672695","[270Db]"]
["91017139","F[Si]#[Si][Si]#[Si][Si]#[Si-].[Li+]"]
["46850369","[Si+]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si-]"]
["171868240","[Si+]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si-]"]
["60470190","[Si+]#[Si][Si][Si]#[Si-]"]
["90934644","[F+]=[Si][Si]#[Si-]"]
["120603916","COc1cc(F)c(NC(C)C#N)cc1F"]
["91019412","[Si+]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si-]"]
["172678651","C[Si][Si-]([Si]#[Si+])([Si]#[Si][Si]#[Si-])=[Si+]C"]
["90996898","CC[CH+]C=[Si][Si]#[Si-]"]
["90934640","[Si-]#[Si][Si+](Br)Br"]
["91222428","[Si+]#[Si][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si-]"]
["96745747","C=[Si]F.[Li+]"]
["79217960","[130Nd]"]
["83217242","[128Ba].[H].[H]"]
["34630654","[128Ba]"]
["175671417","[98Rb]"]
["185960017","[138Au]"]
["175672527","[233Ac]"]
["78129540","[PH3+4].[S-2].[S-2]"]
["79785911","[100C]"]
["161846373","ClCC(Cl)CC(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CCl"]
["114050307","CC(C)CC(Cl)CN=C(O)CC1CC1"]
["183563437","[N-]=[N+]=NCC=CCC(Cl)CCl"]
["192010080","CC(C)CCl.[Cl-]"]
["113182101","CCC(CC)C(Cl)CNS(=O)(=O)CS(C)(=O)=O"]
["25978723","[CH2]CC(Cl)CCl"]
["100834844","ClCC(Cl)CC1CCCCC1"]
["177988950","CSSC(CCl)C(C)C"]
["175399165","CC(CCl)C(CCl)CC(N)Cl"]
["79915580","CC(C)(C(=O)O)C(Cl)C(Cl)CCl.Cl"]
["183665392","CCC(Cl)C(C)N=[N+]=[N-]"]
["78559873","CC[C@@H](Cl)[C@@H](N)CC"]
["78277880","Cl.Cl.[S-]/[NH+]=C/[NH2+][S-]"]
["79550417","C[NH2+][S-]"]
["77033227","Br.Br.[S-][NH2+]C=NS"]
["100831000","S=CCC/C(=[NH+]/[S-])[NH2+][S-]"]
["79621303","N/C=[NH+]/[S-]"]
["79271664","O[NH2+][S-]"]
["74699854","Cl.O=[NH+]C=C1C=CC=CN1C(Cl)(Cl)Cl"]
["66788777","Cl.[S-][NH2+]/C=N/S"]
["100830996","S=C[C+](N[S-])[NH2+][S-]"]
["78322460","Cl.O=CN(Cl)Cl"]
["101195476","[S-][NH2+]C(S)=NS"]
["99336843","[S-][NH2+]/C=N/S"]
["96676425","C1=CC(=[Se]=[Se]=[Se]=C2C=CC=CC2=C2[N-]C[CH-]CO2)C(=C2[N-]C[CH+]CO2)C=C1.[Li+].[Li+]"]
["167217276","CC(C)(C)[C@H]1CO/C(=C2\\C=CC=C2[Se]c2ccccc2)[N-]1"]
["83552919","CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=C4C=CC=CC4=O)NN3)cc2)CC1"]
["112265836","NC1=CC=C/C(=C2\\N=C(C3CCCCS3)NO2)C1=O"]
["90660264","O=C1C=CC=CC(=C2CCNN2)C1=O"]
["167354526","C1=CC(=[Se]=[Se]=[Se]=C2C=CC=C2)C=C1.[Ru]"]
["165205808","N#CC1=C(N)NN/C1=C1\\C=CC=CC1=O"]
["144717415","O=C1C=CC=C/C1=C1/NC=C2C(CO)CCCN21"]
["99369887","O=C1C=CC=C/C1=C1\\C=CNC2=C1CN(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2"]
["65231626","O=C1C=CC=CC1=C1NC(=C2C=CC=CC2=O)NC(=C2C=CC(OCCCOC3=CC(=O)C(=C4NC(=C5C=CC=CC5=O)NC(=C5C=CC=CC5=O)N4)C=C3)=CC2=O)N1"]
["167215181","CC(C)(C)[C@H]1CO/C(=C2/C=CC=C2[Se]c2ccccc2)[N-]1"]
["112265844","CC1SCCSC1C1=N/C(=C2/C=CC=C(N)C2=O)ON1"]
["78312033","[292Pb]"]
["175672651","[260Md]"]
["175671434","[100Rb]"]
["175671750","[132Nd]"]
["191639553","S=S.[3H]S"]
["55103563","[3H]S[3H]"]
["79396170","[SiH3][Se]"]
["83231649","[126Ba].[H].[H]"]
["194194407","C.[3H]S[3H]"]
["48319754","[3H]S"]
["59817935","[126Ba]"]
["83503779","CO[C@]12C=C[C@](C)(C=C1)c1ccc(cc1)[C@@]1(C)C=C[C@](C)(C=C1)[C@H]1C=C[C@H](CC1)c1ccc(cc1)[C@]1(C)C=C[C@@](OC)(C=C1)[C@H]1C=C[C@H](C=C1)[C@@]1(OC)C=C[C@](OC)(C=C1)[C@@H]1C=C[C@@H](C=C1)c1ccc2cc1"]
["93911153","CCCNC(c1ccccc1C1CCC1)C(CCC)OC"]
["114288385","COC1(C)CCCN(CCNCc2ccco2)C1"]
["53974894","CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](CCCc4ccc(N(C)C)cc4)C4=CC(=O)CCC4=C3CC[C@]12C"]
["58303668","COc1ccccc1[C@H]1CN(C(=O)c2ccco2)[C@@H]2C3CCN(CC3)[C@H]12"]
["76031777","CCCC[C@H]1CC[C@H](c2ccccc2C2(OC(F)F)C=CC(C(=O)O)C=C2)CC1"]
["109024799","COC1(OC)[C@@H]2C=C[C@H]1[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1c1ccccc12"]
["90804228","C1=CC2CC1C1c3ccccc3[S+](c3ccccc3)C21c1ccccc1"]
["190789133","CC1C=CC(C)(c2ccc(C3(C)C=CC(C)(C)C=C3)cc2)C=C1.COC1(c2ccc(C)nc2)C=CC(OC)(c2ccc(C)nc2)C=C1"]
["69161545","COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(Cl)c(Cl)c1"]
["200125481","CN[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[C@@](C)(OC)C1=O"]
["178181331","CCCc1ccc(-c2ccc(C3C=CC(COC4CCC(C)CC4)CC3)cc2)cc1"]
["78604536","O[SiH](I)O[SiH](O)O[SiH](O)I"]
["164061694","C[SiH](O)O[SiH](O)O[Si](C)(O)O[Si](C)(O)O[Si](C)(O)O[Si](C)(O)O[Si](C)(C)O"]
["178941463","NCC(O)COI"]
["78996133","O=[PH](OS(=O)(=O)O)OS(=O)(=O)O"]
["46939878","C[SiH](O)O[SiH](C)O[SiH]O"]
["79422556","Cl[SiH](Cl)Cl.[SiH3]O[SiH3]"]
["24935350","OCCOI"]
["182418914","OO[S-](=S)=S"]
["174996891","CO.O[SiH](O)O"]
["175575770","C=CC[SiH](O)OCC"]
["76247986","COC1N=C(O)C2(C)N=NCC12"]
["159250393","C[SiH](C)Cl.[SiH3]O[SiH3]"]
["175672281","[187Hg]"]
["175670932","[25Al]"]
["62049472","[117Sn].[H].[H]"]
["171040012","[45Ca+2].[H-].[H-]"]
["27291277","[45Ca+2].[Cl-].[Cl-]"]
["55608593","CP=PC"]
["79749823","C[P]N"]
["27307600","[45Ca+2]"]
["1103765","[117Sn]"]
["83233336","[45Ca+2].[H].[H]"]
["171041160","[142Ba+2].[H-].[H-]"]
["52098441","[101Mo]"]
["62328079","CC1=C=C2[N-]C(C)=C(C)C(C)=C2C(C)=C1C.C[CH-]C.[Y+3]"]
["176021054","CC.[B+]=NC([O-])=C1SC2[N-]C(C)=C=C(C)C2=C1C.[Rb+]"]
["172021473","CC1=C=C(C)O[N-]1.[K+]"]
["45573761","[B]NC1[C-]=CC(C)=C=C1C(=O)[CH-]C.[W+2]"]
["173312915","[B+]=C1[CH-]C2=C(C(C(C)(C)C)=C=C(N)[N-]2)C(O)=C1C.[U]"]
["79490205","CC1=C=C2C=CC(C)=C(C)[C]2C(C)=C1C"]
["78078911","C[C]1C(C)=C=C(C)C(C)=C1C.[Cl-].[Mg+]"]
["27260048","CC(=O)[O-].C[C]1C(C)=C=C(C)C(C)=C1C.[Hg+]"]
["90954495","CC1=C(C)C1=C1C(C)=C1C"]
["24299181","C[C]1C(C)=C=C(C)C(C)=C1C.[Br-].[Mg+]"]
["184534541","CC1=C=C(C)[C-](O)C(C)=C1C.[H-].[Mg+2]"]
["52673325","CC1=C=C(C)[C-](O)C(N)=C1C.[Y].[Y]"]
["75663692","FC1=C(F)C2=C(F)C(F)=C(F)C(F)(F)N2C(F)=C1F"]
["91153954","FC1=C(F)C(F)(F)C(F)=C(F)[Te]1"]
["185586832","FC1=C(F)C(F)(F)C(Br)(Br)CCC1"]
["90839332","O=C1OC2(CCl)C(F)=C(F)C(F)=C(F)C2(F)N1c1ccccc1"]
["161900632","CC(=O)N1N=C(C2=C(F)C(F)(F)C2)CC12CC2"]
["182101449","FC1=C(F)C(F)(c2ccccc2)C(F)(c2ccccc2)C(F)=C1F"]
["172602018","O=C(O)C1C=C(F)C(F)=C(O)C1(F)C(=O)O"]
["174760429","CC1=C(F)C(F)=C(F)C(F)(c2ccccc2)C1(F)c1ccccc1"]
["181124075","CN1CCOC2=C(F)C(=O)CC=C2C1=O"]
["179926012","O=S(=O)([O-])C1(F)C(F)=C(F)C(F)=C(F)C1F"]
["91089824","C[Si](C)(C)C1=C(F)C(F)(F)C(F)=C(F)C1(F)F"]
["76836832","NC1(F)C(F)=CC(=C2C=C(F)C(N)(F)C(F)=C2F)C(F)=C1F"]
["177567159","C[SiH2][SiH2]N([SiH2]C)[SiH2]C"]
["195431107","CCN(CC)CC.C[SiH2]Cl"]
["78376062","C[SiH2]C[PH3]C"]
["192588097","C[SiH2][Si](C)(C)[Si](C)([SiH2]C)[SiH2]C"]
["174447781","C[N+](C)(C)[SiH2]I"]
["181979719","CCN(N=[N+]=[N-])[SiH2]C"]
["96491197","CCN(CC)[Si](C)(C)N([SiH2]C)[Si](C)(C)N(CC)CC"]
["101402808","CCC(C)N([SiH2][SiH2]N(C(C)CC)C(C)CC)C(C)CC"]
["193225220","C[SiH2]S.C[Si](C)(C)C"]
["55891800","C[SiH2]N([SiH3])N([SiH3])[SiH3]"]
["25234040","C[SiH2]C(C)(C)C"]
["78119666","CC(C)CN(P)CC(C)C"]
["96596241","Br/C=C/[Se](Br)(Br)/C=C/Br"]
["79226261","Br[CH]CBr.[Au]"]
["161779811","C=C[Se](Br)(Br)C=C"]
["163038571","N#CC=CC=CBr"]
["163031522","CC(C)S/C=C\\Br"]
["194522802","Br/C=C\\C=C/C=C\\Br"]
["54904029","Br/C=C/Sc1ccccc1"]
["25222751","CCC(C)C=CBr"]
["91471022","BrC=CSc1ccsc1"]
["61085057","[2H]C([2H])=C([2H])Br"]
["169132313","BrC=Cc1ccoc1"]
["79812324","Cl[Si](Cl)(Cl)/C=C/Br"]
["100953246","C[N+]#C[B-](C#[N+]C)(C#[N+]C)C#[N+]C"]
["195711453","C[N+]#CCC(=O)O"]
["195957779","CC(S)OC#[N+]N"]
["55177041","CC[N+]C.[Cl-]"]
["101068761","C[Si](C)(C)C#[N+][NH-]"]
["25449494","CC(N)C(C)S"]
["180765630","CC/C=C(\\C)C#[N+]C"]
["150050285","C[N+]#COCS"]
["170347882","C[N+]#CC1(O)CCC(C)CC1"]
["78166780","C[N+]#C[N+]1(O)CC1"]
["179885716","C[N+]#CCCC(C)C1CC1C"]
["179733711","C[N+]#CC(C#N)C#N"]
["174323443","[B]=c1c[c-]n([N-]C#B)c1=[B].[Y]"]
["154103551","Cn1ncc2c(O)nc(/C=C/c3sccc3Cl)nc21"]
["MCULE-2136512148","CNCc1cnn(-c2ccnc(Cl)c2C)c1"]
["174323482","O=[C-]Nn1[c-]cnc1O.[Y]"]
["168470936","[B]=c1ccbcc1=C"]
["MCULE-1234446552","Cc1nn(-c2ccncc2Cl)c(Br)c1CN"]
["106067411","CC(C)n1cc(N=C(O)[C@H](C)C#N)cn1"]
["53211934","NCc1c(Cl)cncc1Cl"]
["34328073","N#C/C=C/C=C1\\C=C1Cl"]
["100422931","ClC1=NN(c2cccnc2)CC1"]
["200499910","ClCC=Cc1ccncc1Cl"]
["42294587","C[C-]=C(C)n1[c-]cc(C)c1C.[Y]"]
["99777573","C#CC(S)C(C#C)O[S-](=O)=S"]
["26943922","C#CC(C=Cc1cccs1)OC(=O)C1C(C=C(C)C)C1(C)C"]
["78710300","C#CC#CC#CC#CC#COS"]
["97228661","C#C[C@@H](OC(C)=O)c1ccc(C(C)C)cc1"]
["198409777","C#C[C@H](OC)[C@H](CN(CCC)C(=O)CCC(=O)O)OC"]
["152000317","C#C[C@@](C)(CC[C@@H](C)C(C)C)OC(C)=O"]
["97585164","C#C[C@H](OC(=O)CCl)c1ccccc1C"]
["93258241","C#CC(CC)NCC(=O)OC"]
["49317812","C#CC(CC)N(CC)CC"]
["78548730","C#CC(CC[CH2])OC"]
["44473882","C#CP(=S)(C(C)C)C(C)C"]
["61579142","C#CC(I)OC(C)I"]
["73559663","CCCCCC(CC[S])N1C=NC=NC1"]
["137231908","CCCCN(Cn1cc(C)cnc1=S)CC(F)(F)F"]
["181732327","CCCCCCC(c1ccc(N=[N+]=[N-])cc1)C(F)(F)F"]
["156955062","CCCCCCCCC[C@@H](CCCCCCC)C1=[N+](CC)CCN1CCO"]
["78628196","CCCCCC[C@H](C)C(F)(F)F"]
["MCULE-1597897551","CCCCCC(CC)N1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(C)c(C)c2)C1=O"]
["116247631","CCCCN=C(O)c1cc(N2CCC(C)CC2)nc(C)n1"]
["153616755","CCCCC[C@@H](C[C@@H](CCc1cc(Cc2ccnc(NCNC)c2)c(O)c(OC)c1)OC(C)=O)OC(C)=O"]
["97068712","CCCCCCCCCC(CCCCCCCCC(O)CCCCC)S(=O)(=O)[O-].[Na+]"]
["49953899","CCCCCCCCC(CCCCCC)COc1ccc(N2CCCCC2)cc1"]
["17903622","CCCC[C@H](CC)CN=C(O)[C@H]1C[C@@H]1c1cnn(C)c1"]
["111159927","CCCCCCCc1nc(N2CCNC(C)C2)n[nH]1"]
["171853131","O=P12ONc3c(c(c4c5c3OP(=O)(O5)ON3OP5(=O)Oc6nc7nc-4nc3c7n6O5)O1)O2"]
["161746657","N=C1NCc2c3nc4n2OP(=O)(O4)ON13"]
["64752690","OCc1noc(C23CC4CC(C2)C(n2c(O)nc5cnc6c(c52)C=CC6)C(C4)C3)n1"]
["67799299","C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]12C(O)=Nc1ccc(N=C(O)[C@H]3CCCN3)cc12"]
["177963420","O=P12Oc3nc4c(n3C3OC(CO)C(O)C3O)N(S)C(=NC4)N(O1)O2"]
["161761158","O=P12Oc3c(n(c4ccc(O)cc34)O1)O2"]
["147842957","c1ccc2oc3cccc4c3-c3nc4nc4nc5[nH]c6nc(nc7[nH]c(n3)c3c(cccc73)oc3ccccc3cnncc2c1)c1cccc(oc2ccccc2cnncc2ccccc2oc2cccc4c2-5)c1-6"]
["161740808","O=c1nc2c3c4n1C1=C5OP(=O)(ON4OP(=O)(O2)O3)OC52OP3(=O)OC2(C1)O3"]
["172453788","O=P12ON=C3N=C(O)c4c(nc(n4O1)O2)N3F"]
["161702045","O=C1c2nc3n([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c2N2CN1OP(=O)(O3)O2"]
["161872880","O=c1nc2c3c(n1[C@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)NOP(=O)(O2)O3"]
["161811465","NCCc1c2n3c4ccc(O)c(c14)OP(=O)(O2)O3"]
["100262985","[B+]=C1C(NC)=C(CN)c2c(CN)c(CN)c(C[NH-])c(CN)c2C1CN"]
["178267380","[B+]=C1C([NH-])C(N)C(=[B+])C(N)C1[NH-]"]
["113751676","CNC(Cc1ccc(Br)cc1Cl)c1ccc(C)cc1Cl"]
["114927873","CNC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1I"]
["107104770","Cc1nc(C)c(CN)c(-c2ccc3c(c2)ncn3C2CC2)n1"]
["113754774","CNC(Cc1ccc(C)cn1)c1ccc(C)cc1Cl"]
["168362886","NCC1c2cccnc2-c2c(O)cccc21"]
["99026426","COc1ccc(-n2cc3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3c2O)cc1"]
["178121210","CNCC1CC2CC(CN)C1C2"]
["47692636","Cc1oc(C)c(S(=O)(=O)NC2CC2C)c1CN"]
["82690688","Cc1cn(C2OC(CO)C(O)C2O)c(O)nc1=N.NCCCNCCCCNCCCN"]
["173772967","[B+]=C1C=CC(C(N)([O-])C(C)CN)C=C1"]
["79866110","CO[SiH](OC)[Si](OC)(OC)[SiH](OC)[Si](OC)(OC)OC"]
["171012228","CCC(OC(C)OC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC"]
["50959338","CO[Si](F)(OC)[Si](F)(OC)OC"]
["182997523","CCC1C(CC)C1[SiH](OC)OC"]
["91324297","COC(=O)C1C=C1[Si](C)(C)C"]
["79090229","CO[SiH](CO)CCCCCC[Si](OC)(OC)OC"]
["172040327","CCCO[Si](I)(I)OC"]
["79764219","COc1cnc[se]1"]
["161605395","CO[Si](OC)(OC)[SiH](N)[Si](OC)(OC)OC"]
["158045022","COC[C@@H]1N=C(O)[C@H]1C(C)C"]
["97547570","CO[Si](C)(C)[Si](C)(C)C1=C=CCC1"]
["96831898","[C+]=C1C=C[C](COC)C=C1"]
["179663301","O[SiH]1C[SiH]2[SiH](O)[SiH]3[SiH](O)[SiH]1[SiH]23"]
["96015118","NC1(C(=O)Cc2ccc(Br)s2)CC1"]
["93948622","CC(C)CC(O)(CC(C)C)C1CCCCCC1"]
["176270914","CC.CN=C(O)C1(N)COC1"]
["97112015","O[SiH]1C[SiH](O)C1"]
["52454712","C1CCCCC1.NC(CO)(CO)CO"]
["96778975","NC1(C(=O)O)CCCCCS1"]
["186232382","CN=C(O)Oc1cnc(N)c(C(F)(F)F)c1"]
["190399553","CC.C[C@H]1COB(O)C1"]
["83267290","C[SiH]1[SiH](C)[SiH]2[SiH](O)[SiH](C)[SiH]12"]
["190399554","CC.C[C@@H]1COB(O)C1"]
["82287787","O[SiH]1C[SiH]2[SiH](O)[SiH]3[SiH](O)[SiH](C1)[SiH]23"]
["178367540","CC1N2[C-]=CN1CN1CCN(CN3C=[C-]N(C3)C[N+]3=CN(CC3)C2)C1.[Mn+3]"]
["115105294","CCC1CN(c2ccc(C)cc2CO)CCN1C"]
["127108755","Cc1ccc(C2CC(C)CCN2C(=O)C2CCN(C(C)C)CC2)o1"]
["180950327","CC1=C2C3=C(CC[C-]=C3N3[C-]=CN(C)C3C2C)N2[C-]=CN(C)C12"]
["98442579","CCN=C(O)OC1CCN(C(C)c2ccccc2Cl)CC1"]
["105154190","Cc1cc(=NC(=O)[C@@H](C)SCC(=O)N2CC[C@@H](C)[C@H]3CCCC[C@@H]32)[nH]o1"]
["87695738","Cc1cc2c(c(C)c1Cl)C(O)C(N1CCCC1)CO2"]
["106986699","C[C@@H]1[C@H](C)N(C(O)=NCc2csc(C(C)(C)C)n2)CC[S@@]1=O"]
["162869886","Cc1cocc1C1(O)CCOCC1C"]
["59841673","CCCNC1CC2CCCC(C1)N2c1ccc(C)c(Cl)c1"]
["111893175","COC1CCN(C(CN)c2cc(Cl)c3c(c2)OCO3)C1"]
["125668049","Cc1ccc(S(=O)(=O)N2CCC(C)C2C)c(Cl)c1"]
["78593044","O[CH+]COC[CH-]O"]
["162245087","Cc1c(CBr)cc(O)nc1OC(F)(F)F"]
["26084096","Cc1cn(COCCCl)c(=O)nc1O"]
["27029463","O[CH+]C[CH-]O"]
["91166140","CCOC(=O)CSC(=S)C(F)(F)F"]
["200131749","Cc1c(CN=C(O)OC(C)(C)C)c(C)c(CN=C(O)OC(C)(C)C)c(CCCN=N)c1CN=C(O)OC(C)(C)C"]
["200617379","Oc1cc(Cl)c(O)c(COCc2cc(O)cc(Cl)c2O)c1"]
["171945752","C[CH-]O.[CH2-]OC.[Y]"]
["17622081","CC[NH+](CC)CC(=O)N(CC(=O)OC)CC(=O)OC"]
["79522492","CC(=O)CC(=O)OOC(C)C.CC(=O)CC(=O)OOC(C)C"]
["178693048","C=C(OCC)C(C)CN=N"]
["79864432","[CH2]NC(CO)(CO)CO"]
["97854880","CN1C=CN2C1[B-](F)(F)[N+]1=CC=[N+](C)C1[B-]2(F)F"]
["96726144","CN1C=CN(C)C1[B-](Cl)Cl"]
["42475978","CCOCC1N(C)C=CN1C"]
["3127227","Cn1c(Cl)cnc1CS(=O)(=O)Cc1c(F)cccc1Cl"]
["CSSS07071153937","Cn1[nH]nnc1=NCCc1c(F)cncc1F"]
["106391108","CC(C)(Cc1c(F)cccc1Cl)N1CCNCC1"]
["50829380","COc1cc(-n2cc[n+](C)c2)c(OC)cc1N=NC1N(C)C=CN1C"]
["150188999","COn1cc2c[n+](-c3c(Cl)cccc3Cl)nc-2c(F)c1"]
["75386693","CCN1C=CN(C)C1OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O"]
["97523155","CN1C=CN([B+]N2C=CN(C)C2[S-])C1[S-]"]
["85240663","CN(Cc1nccn1C)c1ncc(Cl)cc1F"]
["57142447","CCN1C=[N+](CC)CN(C)C1.[Cl-]"]
["100994549","S=PCP(=S)(CP=S)P=S"]
["190931414","CC(CC(C)(C)C)CP(=S)(S)CC(C)CC(C)(C)C.CC(CC(C)(C)C)CP(C)(=S)CC(C)CC(C)(C)C"]
["79057968","C=CCP(=S)(S)CC=C"]
["13904665","CCN(CC)CC.CCN(CC)CC.OP(O)(O)=S"]
["47048257","CC(C)(C)P(C)(=S)OP(C)(=S)C(C)(C)C"]
["25498995","CC(CBr)OP(=S)(OC(C)CBr)SC(C)CBr"]
["183425523","CC(Cl)COP(=S)(Cl)OCC(C)Cl"]
["78547099","N=C(O)CCP=S"]
["185662382","CCCCCOP(O)(=S)SCCCC"]
["183525231","[N-]=[N+]=NCP=S"]
["190807921","C.[2H][PH2+]P=S"]
["161084906","S=P([S-])(Cl)Cl.S=P([S-])(Cl)Cl.[Zn+2]"]
["69591732","[CH2-][N+](C)=C(C)C(C)=C(C)P(C)C"]
["26212537","[CH]=C(C)C(C)=C(C)C"]
["81623213","CC([N+](C)=O)=[N+](C)[O-]"]
["79938489","[CH2-][N+](C)=C(O)C1=C=C[CH]NC1=[O+]C.[Li+]"]
["99432480","[CH2-][N+](C)=C(O)N(C)C[Si].[K+]"]
["179562149","CC(=O)C(=O)[N+](C)=O"]
["173020902","C/C=C(/C)C=[N+](C)C.CC"]
["178548823","C/C(=[N+](/C)O)C(C)(C)C"]
["99640559","C[N+]([O-])=CCCCC=[N+](C)[O-]"]
["179744587","C=[N+](C)CC/C(C)=C/C"]
["61668657","CCOP(C)OC(C)=O"]
["97734114","CC(O)=C1C=C(F)C=C([N+](=O)O)C1=O"]
["75029409","[CH+]=C1C(=[Br+])C=C=C2C3=C=C[C-](Br)C(=[CH-])C3OC12"]
["109404167","Cc1ccc(S[C@@H]2C[C@@H]3C[C@@H]2[C@H]2COC[C@H]32)cc1"]
["179895642","CC1=C=C[C-](C)S1.[Cu+]"]
["56277879","COC1=C(OC)[C-](OC)C(c2cc(OC)ccn2)=C=C1.COC1=C(OC)[C-](OC)C(c2cc(OC)ccn2)=C=C1.[Pt+2]"]
["MCULE-1000151247","CC(=O)N(c1ccc(C(C)(C)C)cc1)C1CCOCC1"]
["180299668","COC1[C-]=C(c2ccco2)C=C=C1Br.[CH3-].[U+2]"]
["163318368","N=C(O)c1cc(Br)c2c(c1)OCC[C@@H]2N"]
["84052798","c1ccc2c(c1)C1OC2c2c1c1ccccc1c1ccccc21"]
["75364395","O[Cl+]OC1=C=CC(Br)=N[C-]1Br"]
["199251002","CC(C)C1=C=C[C-](C2CCOCC2)N=C1.[Y]"]
["171824411","CC=C1C=CC=C(C2=C=CC(F)=C(C#N)C2F)[N-]1.[Ir]"]
["191170808","CC#CCOc1ccc(C2=C=C[C-](Br)C(=O)N2CC)c(Cl)c1.[Y]"]
["172788690","Brc1sc2cc(Br)[s+](Br)c2c1Br"]
["163245525","CCOc1ccc2sc(C=O)cc2c1Br"]
["162690413","Fc1cc2cc(CBr)sc2cc1S"]
["55043926","C=C(c1ccc(Br)s1)c1ccc(Br)s1"]
["188223816","N=Cc1cc(Br)sc1N"]
["185135383","S=C=NCc1cc(Br)sc1Br"]
["86987198","Cc1ccc(C(Cl)c2cc(C)c(Br)s2)cc1Br"]
["85495041","Cc1cc(C(=O)c2[nH]c(C)c(C)c2C)sc1Br"]
["85513583","Cc1cc(C(=O)N2CCCC2=O)sc1Br"]
["162881387","Cc1c(N)ccc2cc(Br)sc12"]
["58472428","Brc1csc(CN=c2cc[nH]cc2)c1"]
["162623064","Oc1cc2c(Br)c(C(F)F)ccc2s1"]
["163899394","IBS12#SC1S2"]
["157912812","CC(C)C(O)=N[C@@H]1CN(C)C[C@H]1C"]
["162515484","CC1CN(c2nc(C(C)C)ns2)C1"]
["192685033","CC1CS(=O)(=O)CC1C.II"]
["97926795","NN1NSC=C1I"]
["180281173","C[C@H]1CCC(I)[C@@H]1C"]
["109391040","I[C@H]1CC[C@H]2O[C@H]1CC[C@@H]2I"]
["116277409","P#P(P=S)S12#SC1S2"]
["53177729","CC1CC(F)(F)SC1F"]
["57513859","IC1C=CON1"]
["73736576","CC1CC[C@H]1I"]
["180160768","CC1CN(C)C[C@@H]1CI"]
["100852351","C[NH2+][BH2-][C+]=[N]"]
["179554191","C[NH2+]N=C(O)CCS"]
["101176519","C[NH2+]C[B-](F)(F)F"]
["47059286","[2H][NH+](C)C.[Rb+]"]
["100857865","CC[NH2+][NH+]([NH2+]CC)[NH2+]CC"]
["172283325","CC[O-].C[NH2+]C"]
["10358018","C[NH2+]C(C)(C)C"]
["3166902","C[NH2+]CC(=O)N(C)C"]
["78241796","[CH-]=C1C=CC(C)=C[CH+]1.[Zn]"]
["184556329","C[NH2+]C(Cl)=C(C)C"]
["194010202","CC[NH2+]C.O"]
["193341307","CC1C([N])C1Cl.[Al]"]
["179198140","CC[C@H]1C=C[C@@H]2[C@H](C)[C@@]2(Cn2ccc[nH+]2)[C@@H]1C"]
["151748899","CCC1=N[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C(=O)N1CC1CC1"]
["27312532","CCC1(C)CC(N)CC(C)(C)N1Cc1ccccc1.CCC1(C)CC(O)CC(C)(C)N1Cc1ccccc1"]
["CSSS01198955817","CCc1nccn(Cc2ccsc2S(C)(=O)=O)c1=O"]
["136295838","CCC1CN(CC(O)=Nc2ccccc2F)CC(C)O1"]
["62337145","CCC1CCC2(CC1)N=C(O)N(CC(=O)Nc1ccc(C)c(C)c1)C2=O"]
["62812342","CCC1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C(CC)CN1"]
["49642325","CCC1CCC(n2c(Cl)nnc2C(C)(C)C)CC1"]
["106752913","CCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)c(C)n1"]
["156643819","CC[C@@H]1N[C@@H](C)C(=O)N1CC1CC1"]
["80578210","CCn1cc(CN2C3CCC2CC(O)(c2ccc(F)cc2)C3)c[nH+]1"]
["15145845","Cc1cc(-n2ccc[nH+]2)ccc1CN1CCC(CO)(Cc2ccc(Cl)cc2)CC1"]
["91140768","I[Si](=[I+])[Si-](I)(I)=[Si](I)I"]
["91415350","F[Si](F)I"]
["33464100","C[Si](C)I"]
["173915222","CC(C)[Si](I)=I[Si-]=[I]"]
["91140757","I[Si](I)=[Si](I)[Si]#I"]
["171491637","I[Si](=[I+])C[Si-](I)I"]
["99848711","CC(C)[Si](I)I"]
["171491636","I[Si](=[I+])CCC[Si-](I)I"]
["161714110","CC[Si](I)CC"]
["173915248","CC[Si](I)=I[Si-]=[I]"]
["91415357","Cl[Si](Br)I"]
["161719271","C[Si](C)(C)[Si](C)([Si](I)[Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["172256986","CN(C)P=NP(Cl)(N=PN(C)C)(N=PN(C)C)NP(Cl)(N(C)C)(N(C)C)N(C)C"]
["79319334","CN(C)[P]N(C)C.Cl"]
["174264294","CNCSC(/C=N/N(C)c1ccccc1)=C/Cl"]
["26624822","CN(C)N[C]=S"]
["174105124","CC(N)N(C)c1ccccc1NO"]
["170924063","CN(C)C(O)=NCP(Cl)(CN=C(O)N(C)C)(CN=C(O)N(C)C)CN=C(O)N(C)C"]
["99376165","CC(N[Si](Cl)Cl)N(C)C"]
["114747002","Cc1nc(Cl)c(C)c(NC(CO)(CO)CO)n1"]
["173898899","C=C(Cl)N=CN(C)Cl"]
["49732302","CC(C)CNP(F)(F)(N(C)C)C(F)(F)F"]
["118874789","CN=C(NCCS(=O)c1ccccc1)N(C)Cc1ccccc1.I"]
["130488188","C[C@@H](N=C(O)N(C)Cc1ccccc1)c1ccccc1"]
["79347609","[4N].[S]"]
["78959051","O.[Cd].[S]"]
["101615527","[Ag].[S].[Sb]"]
["68705358","[Os].[S]"]
["63118727","[Cd].[Pb].[S]"]
["23281136","[S].[Sr]"]
["193903878","S.[In].[S]"]
["101724910","[Cu+].[Nb].[S]"]
["172802321","[K+].[Ni].[S]"]
["196017575","[Fe].[S].[Sb]"]
["79522390","[S].[Sr].[Zr]"]
["78152027","[NH].[O].[S]"]
["193508944","[SiH2-][O+]=[si]1o[si-]2o[si-]3o[si-]4o[si](o[si]([o+]1)O[Si](=[O+][SiH2]O3)O4)[o+]2"]
["168460203","c1ccc([Si]23O[Si]4O[si]5o[si]([o+][si]6o[si-](o[si-](o[si-]([o+]5)[o+]6)O4)O2)O3)cc1"]
["33429080","O1[si]2o[si]3o[si-]4o[si]1[o+][si-]1o[si]([o+]2)[o+][si-](o[si-](o4)o1)[o+]3"]
["168477160","c1ccc(CC[Si]23O[Si]4O[si]5o[si]([o+][si]6o[si-](o[si-](o[si-]([o+]5)[o+]6)O4)O2)O3)cc1"]
["168469274","CCCCCC[Si]12O[Si]3O[si]4o[si]([o+][si]5o[si-](o[si-](o[si-]([o+]4)[o+]5)O3)O1)O2"]
["168471422","CCCCC[Si]12O[Si]3O[si]4o[si]([o+][si]5o[si-](o[si-](o[si-]([o+]4)[o+]5)O3)O1)O2"]
["185989032","C(C[Si]12O[si]3o[si]4o[si-](o[si-]5o[si-](o[si]([o+]3)[o+][si-](o5)[o+]4)O1)O2)[Si]12O[Si]3=[O+][Si]4=[O+][Si-]5O[Si-](O3)[O+]=[Si](O[Si](=[O+]5)O[Si-](O4)O1)O2"]
["100282890","C[Si-]1[O+]=[Si]2O[Si]3O[Si](=[O+]1)O[si-]1o[si-](O)o[si]([o+][si-](O)o1)O[si-]1[o+][si-][o+][si](o[si]([o+]1)O2)O3"]
["168518348","[O-]S1([O-])O[si-]2o[si]3o[si]4o[si-](o2)O[Si](=[O+]1)[O+]=[Si]([O+]=[Si-][O+]=3)[O+]=4"]
["163446854","C[Si-](C)[O+]=[Si]1O[si]2o[si]3[o+][si-](o[si](=[O+][Si-](C)C)[o+]2)O[Si](=[O+][Si-](C)C)O[Si-](O1)O3"]
["168477162","C=C(c1ccccc1)[Si]12O[Si]3O[si]4o[si]([o+][si]5o[si-](o[si-](o[si-]([o+]4)[o+]5)O3)O1)O2"]
["170516788","O1C2O[si-]3o[si-]4o[si-]5o[si]([o+]3)O[Si](=[O+]2)O[Si](=[O+]C1O4)O5"]
["178426481","O=C1C2=C=CC=[C+]C2C(=O)[c-]2[nH]c3c(=O)c4cccc(I)c4c(=O)c=3[c-]21.[U]"]
["29455967","O=C1N=C(O)C(=c2[nH]c(=C3C(O)=NC(=O)N=C3O)c3ccccc23)C(O)=N1"]
["MCULE-4263221621","Cc1cccc2c(=O)c(C(O)=Nc3ccc(I)cc3F)c[nH]c12"]
["50560265","O=C1C=C2c3c(ccc(O)c3C1=O)-c1c(O)c(O)c3c(O)cccc3c12"]
["MCULE-9523319674","O=c1cc(-c2c(F)cccc2I)[nH]c2cnc(C(F)(F)F)n12"]
["162175865","OCc1cccc(O)c1C1CCCNC1"]
["89515165","Cn1c(C(=O)O)c(C2CCNCC2)c2cccc(F)c21"]
["176117570","Nn1c(Br)cccc1=O"]
["198394214","C#Cc1c(N)sc2cccc(I)c12"]
["83985581","CC1CCC(=O)c2[nH]c3c(O)cccc3c21"]
["MCULE-7384158894","CN(C)c1cccc(N2CCN(C(=O)c3c[nH]c4c(I)cccc4c3=O)CC2)c1"]
["97114090","C=C(C)C(O)Cc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C=CC(C)(C)O2"]
["79502322","[O-][C+]([O-])N[C+]=S"]
["79080478","O.O=[N+]([O-])[O-].[Ce]"]
["184929620","O=C([O-])NCCS.[V]"]
["43158752","NN[C-]=O.[Na+]"]
["170941607","NN[C-]=O.O.[Y]"]
["9221573","O=C(NCCS)C(=O)NCCS"]
["175167953","CC(=[OH+])[C+]([O-])N[N].O=P(=O)O"]
["79029430","C=[O+]CCCCN[C-]=O"]
["64651423","O=P([O-])([O-])NP(=O)([O-])NP(=O)([O-])[O-]"]
["79777949","O=[C-]O[O-].[Na+].[Na+]"]
["179627194","N#CN[N-][N+](=O)[O-]"]
["45946707","NN[C-]=O.[W]"]
["79475444","[SiH]1C2=C3c4c1c1c5c(c4C23)C15"]
["MCULE-8999342967","NCc1c(C(F)F)nn(C2CCCC2)c1N"]
["159135388","C=C1CN(C[C@H]2CC[C@@H](C)NC2)C1"]
["159135390","C=C1CN(C[C@H]2CC[C@H](C)NC2)C1"]
["179207820","C=C(N)[C@H]1OB(O)c2c(O)ccc(F)c21"]
["179488930","C=NC1=CC=C(N)[C@H]2C=C12"]
["13483120","CC1=C2[C@@H](c3c(F)cccc3F)C(C#N)=C(N)O[C@@H]2N=N1"]
["159139874","C=C1CN([C@@H]2CC[C@@H]2CN)C1"]
["42292436","C=C1CC1CCl"]
["6524431","CC1=C2[C@@H](c3c(F)cccc3F)C(C#N)=C(N)O[C@H]2N=N1"]
["178833861","C=C1C[C@@H]1CN"]
["MCULE-4289710598","NCc1c(C(F)F)nn(C2CC2)c1N"]
["195706356","[NH-]N1c2nonc2[NH2+]c2nn(O)nc21"]
["88733028","CCC1CCC(C)N1C(=O)c1nonc1N"]
["126217221","CCOc1cccc(N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)n1"]
["156313295","O=C(O)c1cc(C(=O)N2CCC2)on1"]
["107493087","CC(=O)[C@H]1CCCN1c1nonc1C(=O)O"]
["162335141","CNC1=NS(=O)(=O)N(C)c2nonc21"]
["140264929","OC(Cn1cnc(-c2ccccc2)n1)=Nc1nc2ccccc2nc1N1CCCC1"]
["110910237","CC1(C)N([O-])C(=C2N=NC(=N)N2)N(O)C1(C)C"]
["23852620","N=c1onc(-c2nonc2N)s1"]
["MCULE-8120808337","CCOP(=O)(OCC)c1c(SC)nn(C(C)c2cc(F)ccc2C(F)(F)F)c1N"]
["144604706","C[C@@H]1OC(CO)OC1n1cc(F)c(=N)nc1O"]
["MCULE-6545133897","CC1CCc2c1c(O)nn2C1CCOC1"]
["185683382","[OH+]=PCCC(Cl)(Cl)Cl"]
["161777822","O=C(CCCCC(=O)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl"]
["144294031","O=c1cc(C2CCC2)ncn1CCC(Cl)(Cl)Cl"]
["185547284","CC(=O)OC(Cl)CCCCC(Cl)(Cl)Cl"]
["79339104","OCC(Cl)(Cl)Cl.[Cl-].[K+]"]
["182807984","C=C[SiH2]CC(Cl)(Cl)Cl"]
["138025333","COCCCS(=O)(=O)N1CCN(CCC(Cl)(Cl)Cl)CC1"]
["79757071","CC(CCl)CC([SiH3])(Cl)Cl"]
["185154504","CCCN=C(O)CC(Cl)(Cl)Cl"]
["171610879","CCCCC(C)(Cl)C(C)(C)CC"]
["91657469","ClC(Cl)(Cl)COC(OCC(Cl)(Cl)Cl)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl"]
["27081287","CC(C)(C)CCP=O"]
["99517313","C=C(C)COCOCOP(=O)(O)OP(=O)(OCOCOCC(=C)C)OC(=C)COCOCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC"]
["173405098","CCCCCCCCOP(=O)(O)OP(=O)(OCCCCCCCC)OC(O)(OP(=O)(OCCCCCCCC)OP(=O)(OCCCCCCCC)OC(C(=O)O)(c1cccc(C(=O)O)c1C(C)(C)c1ccccc1)c1cccc(C(=O)O)c1C(C)(C)c1ccccc1)C(=O)O"]
["181339560","C=C(C)C(=O)OCOCOP(=O)([O-])[O-]"]
["137917146","C=C(C)COCCN=C(O)C=Cc1ccc(O)c(O)c1"]
["187355722","C=C(C)C(=O)OCP(=O)(O)OC"]
["196568696","C=C(C)COC(=O)C([O-])(C(F)(F)F)C(F)(F)F"]
["193720367","COCP(=O)(OC)OC.COP(=O)(OC)OC"]
["185550291","CCOP(=O)(OCC)OC(CC)=C(C)C(=O)[O-]"]
["79064977","CCCOCCOP(=O)(O)OCCOC"]
["98696532","CCCCOP(=O)(OCCCC)OP(=O)(O)OP(=O)(O)O"]
["187619396","C=C(CCCCCCCCCCCCCC)OCCCOP(=O)(O)OCCN"]
["193307603","COP(=O)(O)OC(COCO)COCC(COCO)OP(=O)(O)OC"]
["171851745","CN(N)P1(N(C)N)(N(C)N)N=PNP(N(C)N)(N(C)N)(N(C)N)N1"]
["195961581","CN(N)c1n[nH]c2ccccc12"]
["186590502","CN(N)/C=C\\C=C\\S"]
["178266624","C=BN(N)c1ccc(N(C)c2ccnc(C)n2)cc1C=C"]
["170062345","C/C=C(\\N=CN(C)N)C(C)C"]
["61767316","CN(N)C(=N)N.Cl"]
["180185525","C[C@H](Br)/C=C\\N(C)N"]
["180472220","CC(/C=C/N(C)C(C)/C=C/N(C)N)C(=O)O"]
["178592471","CN(N)C1=NC2SC2NN1"]
["185699808","ClP1(Cl)(Cl)N=PNP(Cl)(Cl)(Cl)N1"]
["65937822","C=CCN(CC=C)S(=O)(=O)c1c(CN)n[nH]c1C"]
["176047266","FP1(F)(F)N=PNP2(F)(F)ON12"]
["128409584","Fc1cc2nc(C(Cl)=Cc3cncc(Br)c3)[nH]c2cc1F"]
["155345572","CSc1ccc2nc(-c3cc(F)c(C)c(F)c3)[nH]c2c1"]
["30024017","FC(F)(F)c1c(-c2cncc(Br)c2)[nH]c2ccccc12"]
["173946093","CN1NC(c2cc(F)c(F)c(F)c2)=CN1C1C(O)[C@@H](S(=O)c2cncc(Br)c2)OC(CO)[C@@H]1O"]
["166340825","COc1ccc(/C=C(/C(O)=NCc2ccccc2)c2nc3ccccc3[nH]2)cc1F"]
["10367118","OC(CSc1nc(-c2ccc(Cl)cc2Cl)cs1)=Nc1ccc(Br)cc1F"]
["100705337","O=C(c1cc(Cl)ccc1F)C1CCN(c2nc3ccncc3nc2Cl)CC1"]
["152055827","CCOc1cc(/C=C(\\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C)c(C)c1"]
["48902927","NC(c1cncc(Br)c1)c1nccs1"]
["147638698","O=C(c1ccccc1)N(/N=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)cc2s1"]
["77566483","COc1cc(C=C(Cl)c2nnc(C(O)=Nc3ccc(F)cc3)s2)cc(OC)c1OC"]
["94697994","OC(Cc1c(F)cccc1F)c1ncc(Br)cc1Br"]
["78554380","PI(P)P(P(I)I(P(I(P)P)I(P)P)P(I(P)P)I(P)P)I(P)P"]
["56222994","[O-]P(I)I"]
["55160232","B#P(P)I"]
["179927032","NP([O-])I"]
["61030752","SP(I)SI"]
["47435814","[B][P-]P(P)P(I)[P-]P"]
["57010928","[B][P-]P(P)P(I)[P-]P.[K+].[K+]"]
["175902391","COP(I)C#N"]
["65662236","PI(I)I"]
["33639549","N[14c]1[14cH][14cH][14cH][14c](Cl)[14c]1Cl"]
["47102353","PI(P)I"]
["51953808","PP(I)I.[V]"]
["79805633","[114Si]"]
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["171912411","[3H][S-].[V]"]
["61324532","[118Pd]"]
["45795574","[3H][S-].[K+].[K+]"]
["52401427","[3H][S-].[Y]"]
["56837967","CP(C)(C)=[As-]1(Cl)(Cl)[Cl+][As-](Cl)(Cl)(=P(C)(C)C)[Cl+]1"]
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["161148635","CP(C)(=O)[O-].CP(C)(=O)[O-].[Cu+2]"]
["171661214","CP(=O)(CCl)OCl"]
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["184000213","CC(C)P(C)(=O)CCl"]
["162061463","CP(C)(=S)SCCl"]
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["161662437","C=C1OC(=S)Oc2c1c1oc(=S)oc1c1oc(=S)oc21"]
["91347810","S=c1oc2c3ccccc3c3ccccc3c2o1"]
["67999855","CCCc1cc(-c2ccccc2)c(-c2ccccc2)c2c1OCCO2"]
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["96963908","O[C@@H]([C@H](O)[C@H]1COC(=S)O1)[C@H]1COC(=S)O1"]
["177122186","Cc1nc2cc3oc(=S)oc3c3c2nc1OC(=S)O3"]
["181170017","COCc1ccc2oc(=S)oc2c1-c1ccccn1"]
["74528001","S=C1OCCOO1"]
["24871970","C=C1O[C](Br)C(Br)=C1Br"]
["149582588","C=C(C)C(=O)Oc1cc2oc1c1c2C(=O)OC1"]
["91507192","S=c1ccc2ccc3ccoc3c2o1"]
["100651474","[3Mn]"]
["79141301","[135C-]=[F+]"]
["170915808","S=[P+]1OC2(O1)O[P+](=S)O2"]
["184129354","CCC1(CC)CO[P+](=S)OC1"]
["161834380","S=[P+]1CPC1"]
["161388139","O1C23O[PH]1(O2)O3"]
["57061034","S=[P+]1SCCS1"]
["173377234","S=[p+]1s[pH]s1"]
["171946515","NP1(=S)OC2(O1)OP(N)(=S)O2"]
["177120829","S=[P+]1CCC1"]
["60176551","S=[P+]1OCC2(CO1)CO[P+](=S)OC2"]
["173423774","CC1(C)CO[P+](=S)OC1N(SCl)C(C)(C)C"]
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["54179955","CC1(C)OC2(OC1(C)C)OC(C)(C)C(C)(C)O2"]
["32331467","[71Se]"]
["173012602","[Cu+2].[GeH5-].[GeH5-]"]
["173035134","[GeH5-].[GeH5-].[Pd+2]"]
["1096366","[PH4-]"]
["79249256","S[SeH3]"]
["175408941","[Ag+].[GeH5-]"]
["175111501","[Cd+2].[GeH5-].[GeH5-]"]
["173002515","[Co+2].[GeH5-].[GeH5-]"]
["173451783","[GeH5-].[K+]"]
["173046505","[Fe+2].[GeH5-].[GeH5-]"]
["173829978","[Ca+2].[GeH5-].[GeH5-]"]
["173421679","[Ba+2].[GeH5-].[GeH5-]"]
["168545287","O=c1oc(O)c2c(=S)c(=S)c3c(=O)oc(O)c4c(S)c(S)c1c2c43"]
["170655110","Cc1c(C)c2cc(I)c(O)c(C)c2oc1=O"]
["185815297","CC1c2nc(O)oc(=O)c2SC1C(C)(C)C"]
["MCULE-9891833612","Cc1coc2c(C)c3oc(=O)c(CC(=N)O)c(C)c3cc12"]
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["172332338","CC(=O)c1ccc2oc(C(N)=O)c(C)c2c1O"]
["185246832","N#Cc1c(S)nc([O-])c2c(=O)oc3ccccc3c12"]
["171894641","O=c1oc(O)nc2cccc(C(O)C(O)CCCl)c12"]
["46427694","CCCCOc1c(O)c2c(OCC(O)CO)cccc2oc1=O"]
["102936930","O=c1oc2c(O)cc3c(O)c(=O)oc4c(O)cc(c1O)c2c34"]
["187593789","O=c1oc2cc(O)ccc2cc1P(=O)(O)O"]
["79953057","[54P]"]
["161781103","O=c1c2c1c1c(=O)[c-](C3=C=C3O)c3c4nc(nc5nc6nc7c8c9c(=O)c%10c%11c(=O)c%11c(c(=O)n7c7nc%11nc(n4)c1c%11c2c(=O)c(c1c(=O)c19)c87)c5c6%10)=C=3.[Zn]"]
["188806150","O=c1cc(CN2CCN(Cc3cc(P)ccc3P)CC2)nc2c(O)cc(Cl)cn12"]
["29861692","COC(=O)C(CC(C)C)N=C(O)N1CC(=O)[C@@H](N=C(O)C(CC(C)C)N=C(O)c2cccc3cccnc23)CC[C@H]1C"]
["117171807","CSc1nc(=NC(C)C)nc2n(C(C)C)c(O)c(Cc3ccccc3)c(=O)n12"]
["65235895","CCC1C(O)=NC(C)C(=O)N1C(C)c1ccc(OC)cc1"]
["190447491","COC(=O)c1nc2ccc(Cl)cn2c(=O)c1O.O=C(CCc1ccc(Cl)c(Cl)c1)c1nc2ccc(Cl)cn2c(=O)c1O"]
["168550254","O=c1nc2c(c3nnc(O)n13)=CN=N2"]
["3443108","COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)c1"]
["4737289","CCc1ccccc1N=C(O)CCS(=O)(=O)c1nc2c(=O)n(C)c(=O)n(C)c2n1C"]
["3199942","COCCn1c(SCc2ccc(F)cc2Cl)nc2cc(C(O)=NC(C)C)ccc2c1=O"]
["32139354","O=c1nc(O)c2c1c1c(=O)c3c4[nH]c5ccccc5c4c4c(O)nc(=O)c4c3c(=O)c1c1[nH]c3ccccc3c12"]
["46316905","Cc1nc2n(c(=O)c1O)CCSC2C"]
["167569729","C1#COB(B2OC=CO2)O1"]
["99747733","CN=CCOB1OC=CO1"]
["97699700","C1=C[N-]C=CN=1"]
["172419474","SC1CC=COC1"]
["172811797","CC(C)C1=NOOC=C1"]
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["79062944","B1C=COO1"]
["99652263","C1=C\\OB2O/C=C/C=C\\OB(O/C=C\\C=C\\O2)O/C=C/1"]
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["91441108","C=CNB1OC=CO1"]
["175134681","FC1=C(F)OB(B2OC=CO2)O1"]
["96566351","[C]12C3[C-]4C1C4C23.[Li+]"]
["33583132","[CH2-]C(C)(C)C12C[C](C1)C2.[Li+]"]
["97700193","CC(C)(C)C1C(C(C)(C)C)C1C(C)(C)C"]
["48393479","C12=C3C4C1=C1C2C3C14"]
["97250905","[CH-]1CC2[C]3C(C1)C32.[Li+]"]
["97252624","BrC12C3[CH-]C4[C](C41)C32.[Li+]"]
["21659377","[NH3+][C@@H]1C=C(C(F)(F)F)N=N1"]
["180860465","C[C-]1C2=IC2C2C3C1C23"]
["167326046","CC1[C-](C(C(C)(C)C)C(C)(C)C)C(C)C(C)C1C.[Li+]"]
["167325698","[Li+].c1ccc([C-]2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1"]
["173169221","C[C@H]1C2/C(=N/O)C[C-](N)C21.[Co]"]
["192739594","FC1=C(F)C2CC1C(C(F)(F)F)C2C(F)(F)F"]
["48635714","[Si+][SiH-](=[Si+])O[SiH-](=[Si+])[Si-]"]
["60217270","[Si+]=[Si]([Si-])[Si+][SiH-](=[Si+])[Si-]"]
["65487508","[Si+][SiH-](=[Si+])[SiH-](=[Si+])[Si-]"]
["184837482","[O-]NOI=[Si-]"]
["42306188","[Si+]=[SiH-](Cl)Br"]
["194573193","[Si][SiH-](=[Si+])[Si](Cl)(Cl)Cl"]
["161680690","[Si+]/C=C/[Si-]"]
["78483103","COBI"]
["55832519","[Si+][SiH-](=[Si+])[Si][SiH-](=[Si+])[Si-]"]
["79714879","[Si+]=[SiH-](Cl)Cl"]
["65907016","F[Si-](F)(F)=[Si+]"]
["91679069","[Si+]#[Se][Si][Se]#[Si-]"]
["182995241","CCC1(CC)NOOC(CC)(CC)C1(CC)CC"]
["93222659","CCc1ccc(C(NN)C(C)CC)s1"]
["126268718","CCC1(CC)CC(=O)N(CC(=O)N2CCOCC2)C1=O"]
["64954803","CCC1OOC1(C)C"]
["91480347","CCOC(=O)C1(Cl)OC1(CC)CC"]
["151180299","CC[C@@]1(C)O[C@](C)(CC)C1N"]
["86682613","CCC1(C)CCN(CCC2(CN)CCC2)CC1"]
["180193795","CCC12CC1(C)N2"]
["55967173","CC1(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)CCF)C1(F)F"]
["197299736","CCC1(CC)COCC(CS(=O)(=O)F)O1"]
["175197387","CCN(CCCN(C)C)C1(N)NO1"]
["174749534","CCC1(CN)Cc2ccc(C(F)(F)F)cc2C1"]
["100257121","C1=C[Si](=[O+][Si-]2C=CCC2)CC1"]
["171407829","Cc1ccc([Si]2C=CCCC2)c(C)c1N"]
["180337959","CCSSCC1C=CCC1"]
["172138167","CO[Si-]1CC[Si](=[O+]C)CC1"]
["26272129","CC1(CO)C=CCCC1"]
["171759771","C1CC[Si](=[O+]O[Si-]2CCCCC2)CC1"]
["161789439","FC(F)(F)C1(F)CCC=CC1(F)F"]
["99240153","C1CC[Si](=[O+]O[Si-]2CCCC2)C1"]
["180064208","C1=CC2(CC1)C1CC12"]
["91625474","C1=Cc2sccc2[Te]C1"]
["59732213","C1=CC2(C=CCC2)CCC1"]
["68632607","C[Si]([O+]=[Si-])=[Si]1C=CCC1"]
["179399674","C1[NH2+]CN2CN3CN1CC23"]
["185144010","C1=C2CN3CC(CN1C3)O2"]
["149709525","CC1CSN2CN(C1)C2"]
["187408794","c1ccc2c(c1)C[C@H]1CN1C2"]
["21007554","C[C@H]1C[C@H](C)CN(C2CC[NH2+]CC2)C1"]
["48195606","C1CCC(N2CN(C3CCCCC3)C2)CC1.Cl"]
["56836464","CC1CCC(NCC2CCN(C3CC3)C2)CC1"]
["42858870","CCCNC1CCN(C2CCN(C3CC3)C2)C1=O"]
["65777700","C1N2CN3CN4CN1C2C34"]
["26737913","CC1C2CCN1CC2"]
["162745160","Cl[C@@H]1C[C@H]2CCN1C2"]
["101675558","C1C2C3CN1CC23.Cl"]
["179697274","C[Br+]C[c-]1[cH-][nH]1"]
["178674817","C[Br+]CC1[B]C(C)[CH-][C-](Cl)C1"]
["101759305","CCc1c(OC)cc(=N)[nH]c1C"]
["79663206","CC[SiH](O[SiH](CC)C(C)C)C(C)C"]
["180337931","C[Br+]C[CH-][C-]1CCCCC1"]
["180239302","[CH-]=C(C[Br+]C)C([O-])OCC"]
["96537161","CC(C)SC[C@@H]1CCCN1"]
["195290275","C[Br+]CC(C)(C)CC(C)(C)CS(C)([O-])O"]
["179125532","C[Br+]C[C-]1[C-]=C(N2CCOCC2)CC(C)=C1F"]
["179392707","C[Br+]CC=[C-]C([O-])Cl"]
["97689602","CC(C)[Si](OC[C@@H]1CCCN1)(C(C)C)C(C)C"]
["156301752","CCC(O)(C1CC1)C1C=CCN1"]
["181641980","[N-]=[N+]1OP([O-])O1"]
["185253761","[O-]P1OO[SiH2]O1"]
["26467080","[N-]=[N+]1C23CCC1(CC2)CC3"]
["158385820","[Co].[N-]=[N+]1OS(=O)(=O)O1"]
["110882772","Cc1ccccc1C1(c2ccccc2C)OP([O-])OC(c2ccccc2C)(c2ccccc2C)C2OC(C)(C)OC21"]
["182858620","[N-]=[N+]1OC(=O)C=CC(=O)O1"]
["102994877","CC1(C)COP([O-])OC1SC1OP([O-])OCC1(C)C"]
["75151724","[N-]=[N+]1OC(=O)N=C(O)O1"]
["185472467","CC1CCOP([O-])O1"]
["102999714","[O-]P1OCC2(CCOP([O-])O2)CO1"]
["161925135","[N-]=[N+]1OC(=S)S1"]
["53737126","CC1(C)CCCC(C)(C)[N+]1=[N-]"]
["168623675","B1=BC2=BB=CC2=C1"]
["173728210","C=CC1=B[B]C=C1C=C"]
["78592968","CC1=C(C)BC=B1"]
["175769882","NC1=CB=B1"]
["178856792","Clc1c[nH+]c2c(c1)C=IN2"]
["190078783","BrC1=C[B]1"]
["168623674","B1=CC2=CB=CC2=C1"]
["45795179","B1=Bc2ccccc2C1"]
["168623676","B1=CB=C2B=CB=C12"]
["168474668","[B]1C=c2c3c(c4c(c2=C1)=CB=C4)C=BC=3"]
["174027660","C=CC1=B[B]C=C1C"]
["56388887","CC1=CB=C1"]
["56099800","COS(=O)NCNOS(C)=O"]
["91849930","CC(CCNCc1ccc(OC(F)F)cc1)S(C)=O"]
["101592821","C=C([O])CC(=O)OCC.[CH]=C(O)C=C(O)OCC.[Mg+2]"]
["55388822","C=CCNS(=O)O"]
["167386169","C#CCC(NC)(C(=O)OC)C(F)(F)F"]
["162869152","CCC1CN(S(C)=O)CC1O"]
["79529746","CC(O)COC(C)CO.CS(C)=O"]
["159231518","COC(=O)Cc1cc(N)c(N)c(OC)c1"]
["159656229","C=C(C)C(=O)OC.OCCCCCCCCCO"]
["175199586","COC(=O)C(N)C(O)Cl"]
["171576090","CO[Si](OC)(OC)C(C)S(=O)C(C)[Si](OC)(OC)OC"]
["79605963","COCC(N[C]=O)OC"]
["172031574","CC(C)C[Si-]=[O+][Si]1(CC(C)C)O[Si]2(CC(C)C)O[Si]3(CC(C)C)O[Si-]=[O+][Si]4(CC(C)C)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O1)O4"]
["98698080","C=Cc1cccc(CC[Si](C)(C)O[Si]23O[Si]4(CC(C)C)O[Si]5(CC(C)C)O[Si]6(CC(C)C)O[Si](CC(C)C)(O4)O[Si](CC(C)C)(O[Si](CC(C)C)(O6)O[Si](CC(C)C)(O5)O2)O3)c1"]
["97221616","CC1=C(C)C([Si](C)(C)O[Si]2(CC(C)C)O[Si]3(CC(C)C)O[Si](O)(CC(C)C)O[Si]4(CC(C)C)O[Si](O)(CC(C)C)O[Si](CC(C)C)(O[Si](CC(C)C)(O4)O3)O2)C(C)=C1C"]
["97016600","C=Cc1ccc([Si]23O[Si]4(CC(C)C)O[Si]5(CC(C)C)C[Si]6(CC(C)C)O[Si](CC(C)C)(O4)O[Si](CC(C)C)(O2)[SiH2][Si](CC(C)C)(O6)O[Si](CC(C)C)(O5)O3)cc1"]
["175511607","CC(C)C[Si][O+]=[Si-]CC(C)C"]
["112048987","CC(C)N(C)CCCNC1CC(C)(C)OC1(C)C"]
["110613236","CC(C)C[Si]12O[Si]3(CCCOC[C@@H](O)CO)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1"]
["100276541","CCC[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1"]
["60805636","CC[Si]1(CC)O[Si](CC)(C2CCCCC2)O[Si-]=[O+]1"]
["99781740","CC(C)C[Si]1(CC(C)C)O[Si-]=[O+][Si-]=[O+][Si](CC(C)C)(CC(C)C)O1"]
["101216025","C=CCCCCCC[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1"]
["171884476","COCCCC[O+]=[Si-]CC(C)C"]
["96623667","B1N/C2=C3\\BN\\C3=C3/BN/C3=C3\\BN/C3=C\\12"]
["97453826","c1cc2[nH]c1Cc1ccc([nH]1)-c1ccc([nH]1)Cc1ccc([nH]1)-c1ccc([nH]1)Cc1ccc([nH]1)-c1ccc([nH]1)Cc1ccc-2[nH]1"]
["97122205","c1cc2[nH]c1Cc1ccc([nH]1)-c1ccc([nH]1)Cc1ccc([nH]1)-c1ccc([nH]1)Cc1ccc-2[nH]1"]
["97446028","B1BCNNC1"]
["74040582","ClC1=NC(Cl)NC(Cl)N1"]
["97151227","B1/C2=C3\\B\\C3=C3/B/C3=C3\\B\\C3=C3\\B\\C3=C3/B\\C3=C\\12"]
["169012283","OC1=CC(O)=NBN1"]
["97551454","B1N[C]N1"]
["78939379","N=c1[nH]cc(C(F)(F)F)c(CC(F)(F)F)c1N"]
["185527282","O=C1CNC(S)NC1"]
["170515494","B1C=CC2=C(C=CBN2)N1"]
["79050300","O=C1BNOC1"]
["154683444","OOc1bbc2c(b1)BN2c1bbc(I)bb1"]
["124701061","CCS(=O)(=O)CCn1cc(I)cc(C)c1=O"]
["26264354","COC(=O)c1cc(I)cn1C"]
["156333359","Cc1cc(I)cn(CC2CC2)c1=O"]
["94615491","COc1ccc(-n2cc(I)cc2C(=O)O)cc1OC"]
["91312302","ClC(=Nc1nc(-c2ccccc2)cs1)c1ccccc1"]
["78981774","[O-][NH+]1C=CC(O)=C1"]
["24985833","CC(C)(C)OC(=O)n1cc(I)cc1C(=O)O"]
["99980822","C#CCn1c(=NC(=O)C(CCC)CCC)sc2cc(OC)c(OC)cc21"]
["184666966","COc1cc(I)cn(N)c1=[NH2+]"]
["92798625","CC(C)Cn1cc(I)cc1C(=O)O"]
["190058806","COc1cccc(OC)c1-c1cn(C)nn1"]
["195491466","[B+]CC([B+])CN1[C-]([O-])N(CC([B+])C[B+]C)[C-]([O-])N(CC(C[B+])C([B+])C)[C-]1[O-]"]
["94223607","CNC(COC)C(C)S(C)(=O)=O"]
["178222999","CC(SI)SCCN1CCN(C)CC1"]
["151751422","CC1=N[C@]2(CC[C@@H]3CN(CC(C)C)C[C@H]32)C(=O)N1CC1CC1"]
["180686517","C=C(CC(COC)C(C)C)C(F)(F)F"]
["169314184","CNNC(O)=NC(C)COC"]
["99766859","[B+]CC1=C=C(C[B+]C)[CH-]C(=[B-]2OCCCO2)C1"]
["169314649","COCC(C)N=C(O)NNCc1nccn1C"]
["78337375","CCCOCCC(COCCC)C(C)COCCC"]
["158234493","CC1(C)C[C@H](O)CCN(C[C@@H](O)C(F)(F)F)C1"]
["180753874","[B]CC([B+])CN1C(O)=NC(=O)N(CC(Br)C[B+])[C-]1[O-]"]
["179464239","C[C@H](C#CCSS)N1CC2CC2C1"]
["100880611","C1=C[As]=[As]C=[As]1"]
["97459593","C1=C[As-][As]=[As]1"]
["99590923","C1=C[As]=C[P]1"]
["171027994","C1=C[As]N1"]
["91593934","C1=C[As]=C[As]=C1"]
["174929657","Cc1cn(C(=O)n2cnc(C)c2)cn1"]
["175794790","[Se]=[Ge]1C=CC1"]
["99551828","C1=C[As]OO1"]
["161680743","C=C1C=C[As]=CC1"]
["182932397","[N-]=[N+]=N[As]1C=C[As]=C1"]
["83991581","NC1=CC=[As]C=C1"]
["91323020","C1=CC(CCC2=CC=[As]C=C2)=CC=[As]1"]
["175733153","[3H][SiH2][Si]([3H])([3H])[Si]([3H])([3H])[Si]([3H])([3H])[3H]"]
["198724896","[3H][Si]([3H])([3H])CCNCC"]
["79179646","[3H][Si]([3H])([3H])O[SiH3]"]
["198664934","[3H][Si]([3H])([3H])CCC"]
["161352502","C[SiH](C)[SiH2]C[SiH3]"]
["34225158","[3H][Si]([3H])(CC)CC"]
["172148595","[3H][Si]([3H])([3H])CCCO[Si]([3H])([3H])[3H]"]
["79180165","[3H][SiH]([3H])O[SiH3]"]
["172740516","[SiH3]C(Cl)(Cl)[SiH2]C([SiH3])(Cl)Cl"]
["79893606","[3H][SiH2]O[SiH3]"]
["62132721","[3H][Si]([3H])([3H])O[Si]([3H])([3H])O[Si]([3H])([3H])C"]
["198664933","[3H][Si]([3H])([3H])CCN"]
["101052903","[O+]=C1O[C@@H]2[C@H]3O[B-](O)(O)O[C@H]3O[C@@H]2C1O"]
["64928903","OCC(O)C1OC2N=C(S)OC2C1O"]
["54228517","C[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2[C@H]1OC(=O)[C@H]2O"]
["184525725","O=C1C(=NO)C2OC2OC1(CO)CO"]
["198614506","OC[C@H]1Oc2oc(C(F)(F)F)nc2[C@@H](O)[C@H]1O"]
["162780004","O=C1O[C@H]2[C@H](O)[C@H]3C[C@@H]1[C@@H]2O3"]
["59322923","Cc1c(C)c(C)c2c(c1C)OC(O)C2=O"]
["22059450","O/N=C1C(=N/O)/[C@H](O)[C@H]/1O"]
["80997613","O=C1OC(C(=O)[P+](O)(O)O)C(O)C(O)C1O"]
["66863311","CC1O[C@@H]2[C@H](O)C(=O)O[C@@H]2C1O"]
["150109253","CC1OC2OC2C(C)OC1O"]
["171773355","[3H]O[C@H]1OC(C)CC(=O)C1O"]
["73954667","[O-][N+]1=CC=S(CCC(F)=C(F)F)C=C1"]
["179735774","C/C=C\\S/C(=C/CCC)SCCC(F)=C(F)F"]
["91205890","FC(F)=C(F)CCCCSc1ncc(Cl)s1"]
["24598398","CC(N)C(O)=NCCC(F)=C(F)F.Cl"]
["73940070","FC(F)=C(F)CCSC(S)=Nc1nccs1"]
["181539586","CC1(C(O)=NN)C=[N+]([O-])C=CN1"]
["183883475","NN=C(O)c1ccccc1CCC(F)=C(F)F"]
["26162536","C=CCC(F)=C(F)F"]
["22754419","CCC(SCCC(F)=C(F)F)C(O)=NCC(=O)O"]
["175058822","O=C(S(=O)(=O)CCC(F)=C(F)F)S(=O)(=O)CCC(F)=C(F)F"]
["182804895","O=S(CCC(F)=C(F)F)c1ncc(/C=[N+](\\[O-])c2ccccc2)s1"]
["161522744","O=P(CCC(F)=C(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F"]
["172762188","C1CC[Te][Te][Te]C1"]
["45863410","C1C[Te]CCC[Te]CCC[Te]C1"]
["97874917","O=C1CCCC[Te]1"]
["32411788","C1C[Te]CCC[Te]C1"]
["170677865","FC1(F)CCCC[Te]1"]
["24860021","[O]N1CCC1"]
["64644534","C1CC[Te]CC1"]
["170677854","ClC1(Cl)CCCC[Te]1"]
["58390903","CC(C)(C)S(=O)(=O)N1CCC(C(=O)O)CC1"]
["51523779","C[N+]1(CN)CCCC1"]
["96801549","C1C[P+]2CCC[P+](C1)CCC2"]
["49410355","C1CB2CCCB2C1"]
["173679648","NC[B]NCCN[B]CN"]
["174900094","NCC[B]Cl"]
["162981554","CC(C)C1(NCCN)CC1"]
["181959267","CCSNCCN"]
["179691397","CC(C)(S)CC(C)(C)CNCCN"]
["195883784","N=CNCNCCN"]
["106902999","C/C(=N/NCCN)c1ccccc1"]
["181318806","CC(N)CNNCN"]
["47948274","CCCNC(C)(CN)C(C)C"]
["174843991","CC.CCCNCCNCCNCCN"]
["99016663","C=C(CNO)C(=O)CN"]
["161184847","O=C(O)CCN[C@@H](CO)C(=O)O"]
["178274261","C1=C2C3C1C1C=[N+]4CC4C1C23"]
["169560478","O=C1C(Cl)=C[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1"]
["170394889","N#CC1=CC2C3CC4C2C4C13"]
["195458623","C1=C2C3C2C2C4C56C7C(C8C3C23C8C73)C5C2C3(CC13)C246"]
["179049462","C1=C2C3CC4C2C4C3C1"]
["108922178","CC(C)C1=C[C@@H]2[C@@H]3C[C@@H]4[C@H]([C@H]13)[C@@H]24"]
["179033747","CC1C=C(N)[N+](C)=CC1"]
["178827823","CC1C=C(C(C)[NH3+])C=C(N)C1"]
["185502425","COC1=C2C(CCCN2C)CC(N)=C1"]
["178867813","CC1=CC2CC=[N+]12"]
["173274938","O=C(CCCCC(=O)ON1C(=O)C2C3C=CC(C3)C2C1O)ON1C(=O)C2C3C=C[C@H](C3)C2C1=O"]
["162131222","O=C(O)C1=CC2C3CC4C2C4C13"]
["79245369","[42Si]"]
["175671112","[56V]"]
["60815003","[B+]=[SH2]"]
["175672036","[160Sm]"]
["166770232","SN=C=C/C=N\\I"]
["168637042","S=N/C=C/C=N\\I"]
["174104753","C=CC(=N)/C(C=C)=N\\S.CC"]
["99371122","O=C=NS.[Si]"]
["103003006","CC(C)=C=CC=NC(C)(C)C"]
["173291083","N=CSC=NI"]
["79072179","O=C=CC=C=NO"]
["170867676","C=C/N=C\\C=N/I"]
["153033752","N=N/C=N\\N=N/I"]
["186573711","CN=CC=C=CCNC"]
["78520307","CCC(/C=N\\I)=C/N"]
["173485068","CCC(C=NI)=CN"]
["84194645","C1=PP=PC1"]
["79473862","C1=POCC1"]
["175790629","C1=PCC1.N"]
["185722672","C1=[AsH]=PCC1"]
["84136017","CC1=CCC=P1"]
["172257338","[C]1=PCC=C1.[Sn]"]
["166807646","CP1NCC=P1"]
["178203964","ClC(Cl)(Cl)C1CC=CC1"]
["171805052","Cc1cccc2c1CNC=C2C#N"]
["79721127","B1=[C]P=CC1"]
["194547128","C1=CCOOC1.Cl"]
["79096673","C1=NCC=P1"]
["168463267","[B]1C=PC=P1"]
["66750336","C1=PC=P1"]
["110861803","C[C]1C=C=C(C)C=C1.[Cl-].[Zn]"]
["170452434","CC1=CP=CC1C"]
["170523147","C1=C2CCCCC2=PC1"]
["78548913","C[C]1C=C=C(C)C=C1.Cl.[Zn]"]
["96890160","B1C=PC=P1"]
["161880677","C=C1C=PC=P1"]
["33481026","C1#C/C=C\\C23C4C5C2C2C3C4C52/C=C\\C#C/C=C\\C23C4C5C2C2C3C4C52/C=C\\1"]
["185366522","C1=N[NH2+]C=P1"]
["100322421","C1=NC=P1"]
["96922834","NP=P1=CP=CP=C1"]
["91251982","[CH]1C=CC=[Ge]2SSSSSC12"]
["50538180","NC(Cc1ccc(Br)s1)CC1CCCO1"]
["53923063","CC1SSSSS1"]
["159125028","c1nscc1NC1CCSCC1"]
["103339234","CCc1ccc([C@@H](N)[C@@H]2CCCO2)s1"]
["91251978","[CH]1C=CC=[Ge]2SSSC12"]
["174453755","S=CC1CSSSSSS1"]
["64151129","Cc1ccc(CNCC2COCC2N)s1"]
["68030716","CC1SSSSSS1"]
["86529249","CCc1ccc(CC2CCC2CNC2CC2)s1"]
["91128070","CCC1C2SSSSSC2C(CC)C2C1SSS2=O"]
["120142080","CC1CCC(OCc2ccc(CN)s2)CC1C"]
["63252245","[B]P[B]NS"]
["61927061","S=S=BI"]
["160987266","NN.SNS"]
["181610567","[NH2+]=C(S)NCNC(=[NH2+])S"]
["173289986","[B]=BP[SiH3]"]
["49402969","N[I-]POONS"]
["183587057","N=C(CS)NCC(F)(F)F"]
["79865200","Cl.N=C(N)NS"]
["57276992","CNNS"]
["174966237","CCC.CNS"]
["182604516","SNc1ccc(Cc2ccc(NS)cc2)cc1"]
["174145720","CNS.Cl"]
["78212046","[155As]"]
["145345890","[130CH4]"]
["168500721","C1=C[S+]=NSN=S=C1"]
["110860126","CN(C)C1=N[S+]=NSN=S=N1"]
["59833049","[B+]1C=CC=C1"]
["176409765","C1=CC=CC=S=NC=CN=CC=C1"]
["110860123","c1ccc(C2=N[S+]=NSN=S=N2)cc1"]
["176440989","N1=S=S=N[S+]=NS1.[Cl-]"]
["96771255","Cl[Te]1=N[S+]=NS1"]
["91152590","C1=C[S+]=NC=NS1"]
["198288313","NC1=CC=C(c2nc3cc4sc(C5=CC=C(N)C5)nc4cc3s2)C1"]
["25874108","[N-]=C1C=CC=[N+]=N1"]
["61460761","[O-][n+]1nccs1"]
["96775247","FC(F)(F)/C1=N/[S+]=NSN=S=N1"]
["83495723","C=[SH]1([O])CCCCC1"]
["57268421","C1CCCCC1.C=C.C=C"]
["181581581","O=C([O-])C(C(=O)[O-])(C1CCCCCC1)C1CCCCCC1"]
["174896466","C1CCC1.[AsH3]"]
["67910613","C1CC1.C=C(C)C(=O)[O-].O=S(O)O"]
["84056100","C=C1S(=O)(=O)CS(=O)(=O)CS1(=O)=O"]
["160415319","C1CC1.CC(C)C(=O)[O-].[Li+]"]
["52377671","O=C(O)CC1CCCCC1.Oc1cccc(O)c1"]
["26663439","C=CCC(C)(C(=O)O)C1CCCCC1"]
["42397222","C1CC1.O=P"]
["191374271","C1CCCCCC1.O=C(O)O"]
["170003663","CC(C)[N+]1(O)CCCCCC1"]
["56483316","[O-][C-](Cl)C1O[Cl+]1"]
["165838932","C[Si](C)(C)C1C/C1=C1\\CC1Cl"]
["180002110","CC[Cl+]C(C)O[C-]([O-])Cl"]
["193890342","COCC(=O)Cl.COCC(=O)[O-].[O-]C(Cl)C1O[Cl+]1"]
["178941239","[O-][C-](Cl)CC1CCC(C2CC[I+]2)CC1"]
["191340933","C=CC.CC=[C-]C(=O)Cl.[O-]C(Cl)C1O[Cl+]1"]
["190367709","Cn1cc(C(=O)Cl)cn1.Cn1cc(C(=O)[O-])cn1.[O-]C(Cl)C1O[Cl+]1"]
["173867476","C[I+]O[C-]([O-])CCl"]
["99373955","C[C-](C)Cl.[Zn]"]
["179027360","C1OP2OI1O2"]
["43062705","[B+]=[O+]c1ccc([C-]([O-])Cl)cc1"]
["178799652","CC[Br+]C[C-]([O-])Cl"]
["28736318","NC1C2CNCC12CCCCC(CC12CNCC1C2N)C12CNCC1C2N"]
["180291316","CCN=C=CC(C)CCCCCC[C@H](CC)[C@@H]1CNC12CCN(C)CC2"]
["26412442","C[C@]12CNC[C@H]1[C@@H](N)C2"]
["177248711","NC1CNCC12CCOCC2"]
["95731328","CCCCC1(CC)CNCC1C(=N)O"]
["28480748","CCC(C)OCC1(c2ccc(Cl)c(Cl)c2)C2CNC[C@@H]21.Cl"]
["197358871","CC(CCC1(O)CNC1)C1CC1"]
["MCULE-7390079697","CC1CC2CNCC(CN)(C1)C2(F)F"]
["181547589","CCCCOC(O)=NC1([C@H]2CNC[C@H]2F)CC1"]
["158411680","C[C@@H]1OC[C@]2(CNC[C@@H]2C)[C@H]1C"]
["194300843","Cl.OC[C@@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1"]
["184600501","CCCCCC1(CCC(CC)C2CCC2)C[C@@H]1C1CCCC1"]
["173724601","N#C[B]B(B=C=[N-])[B+]C#N"]
["183547302","N#CON(N=[N+]=[N-])NC(=N)N=O"]
["171947058","CC[S+](CC)CC.N#CB([C]=[N-])C#N"]
["172770912","N#CI(Cl)(Br)=C=[N-]"]
["173853059","CN([B]C#N)B(I)C#N"]
["175038163","N.N#CB(C#N)C#N"]
["168426140","CCC[NH+](CCC)CCC.N#CB=C=[N-]"]
["174600435","N#C[B]I"]
["174369013","N#C[B]CCCCCN"]
["174112852","N#C[B]c1nc(B=C=[N-])nc([B+]C#N)n1"]
["173491132","N#C[B]C#N.P"]
["44433326","CN[B]C#N"]
["33950649","Br[14c]1[14cH][14cH][14c]2[14c]([14cH]1)OCO2"]
["33989783","CCCC1COC(CBr)([14c]2[14cH][14cH][14c](Cl)[14cH][14c]2Cl)O1"]
["133770482","CCc1ccc(C(CC)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1"]
["33920881","O=C(O)C1CC(=O)[14c]2[14cH][14cH][14cH][14cH][14c]2O1"]
["34596847","Cl.N[14c]1[14c](Br)[14cH][14c](Br)[14cH][14c]1Br"]
["34268622","OCCN1[14c]2[14cH][14cH][14cH][14cH][14c]2O[14c]2[14cH][14cH][14cH][14cH][14c]21"]
["32171662","C=CC[14c]1[14cH][14cH][14c]2[14c]([14cH]1)OCO2"]
["32092166","CCC[14c]1[14cH][14cH][14c]2[14c]([14cH]1)OCO2"]
["64602145","O=C(O)C(Br)[N+]1(O)C(=O)CC[14C]1=O"]
["32235593","COC(=O)[14c]1[14cH][14c](Br)[14cH][14cH][14c]1N=C(C)O"]
["65119740","N[14c]1[14c](Br)[14cH][14c](Br)[14cH][14c]1Br"]
["45898076","O[14c]1[14cH][14cH][14cH][14c](Br)[14cH]1"]
["177023997","C.C1=CC2=Cc3ccc([n-]3)C=c3cc/c([n-]3)=C/C3=[NH+]C(=CC=1[N-]2)C=C3.[Mg+2]"]
["175887645","CC(OCCCCF)c1cc2[nH]c1=CC1=C[C-](C(C)OCCCCF)C(=CC3=C=CC(=N3)C=C3C=C=C(C=2)[N-]3)N1.[K+].[K+]"]
["175887599","CC(OCCc1ccc(F)cc1)c1cc2[nH]c1C=C1C=CC(=N1)C=C1C=C=C(C=c3cc(C(C)OCC=C4C=C[C-](F)C=C4)c([nH]3)=C2)[N-]1.[Na+].[Na+]"]
["78979965","CCN1C=CC=CC1=C1C2=NC(=C1c1cccc[n+]1CC)C(c1cccc[n+]1CC)=c1[n-]c(cc1-c1cccc[n+]1CC)=CC1=[NH+]/C(=C\\C3=[NH+]/C(=C\\2)C=C3)C=C1"]
["174133913","CO/C1=C/C/C(OC)=C\\C(C)=C=C1"]
["45896409","CC1=C(c2cnccn2)C2=c3ccccc3=C3C=C[N-]N3C2=C=C1.[Ir]"]
["53589478","CC=c1cc2[nH]c1=C(CC)c1[n-]c(c(CC)c1CC)C(CC)=c1c(=CC)c(CC)c(n1CC)C=c1ccc([n-]1)=C2.[Mg+2]"]
["197102932","CN1C2=CC3=C=CC(=CC4=NC(=C(c5ccc(C(=O)O)cc5)C5=NC(=C[C-]1C=C2)C=C5)C=C4)[N-]3.[Zn]"]
["172975143","C=C1C=C2C=C=C(C=C3C=CC(=N3)Cc3ccc([nH]3)C=[C+]N1)[N-]2.[Zn]"]
["175887714","CC(CCOC(C)c1cc2[nH]c1=CC1=C[C-](C(C)OCCC(C)c3c(F)cccc3F)C(=CC3=C=CC(=N3)C=C3C=C=C(C=2)[N-]3)N1)c1c(F)cccc1F.[K+].[K+]"]
["172995757","CC=c1c(CC)c2[nH]c1=C(CC)c1c(CC)c(=CC)c(n1CC)=Cc1ccc([n-]1)C=c1cc(CC)c([n-]1)=C2CC.[Mg+2]"]
["79789976","CN1C=CC=CC1=C1C2=NC(=C1c1cccc[n+]1C)C(c1cccc[n+]1C)=c1[n-]c(cc1-c1cccc[n+]1C)=CC1=[NH+]/C(=C\\C3=[NH+]/C(=C\\2)C=C3)C=C1"]
["97054246","[N]=C1C=CC(=[I+])C=C1"]
["162331289","C1=CC=Cc2ccc3c(c2=1)=[N+]=CC=C3"]
["172857813","CC1=CC1(O)CO"]
["82521020","CCCn1c(=O)c2c(n(CCC)c1=O)=NC(=C1C=CC(=[I+])C=C1)N=2"]
["96582276","[N]=C1C=C[C+](C#N)C=C1"]
["184316589","NCN1C=CC1=[I+]"]
["68718188","O=C(O)C1=C(Cl)C=CC(Cl)C1=O"]
["97434799","FC1(F)C=C2C=CC2=CC1(F)F"]
["25805342","N#CC1=[C]CC=C1"]
["97187649","[C+]=C1C=C1"]
["97883839","C[O+]=C1C=CC(=[N])C=C1F"]
["181277540","[N-]=[N+]=NC1=C[N-]C(=C2C=CC(=[I+])C=C2)S1"]
["168332418","Pc1ccc2c(c1)-c1cc3nc(cc4[n-]c(cc5[n-]c(cc-2n1)c1ccc(P)cc51)c1ccc(S)cc41)-c1ccc(S)cc1-3.[Zn+2]"]
["155353543","N=c1nc(O)c2nc(-c3cc(S)ccc3F)[nH]c2[nH]1"]
["147660131","CC1(C)c2c(ccc3cc(-c4cccc(-c5cccc(-c6ccccn6)n5)c4)ccc23)-c2c1c1ccccc1c1ccccc21"]
["147812871","Cc1nc2ccccc2c2ccc(C(C)(C)C)cc12"]
["170148651","CC(C)CCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(P)ccc4n3)cc2)cc1"]
["125330886","O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(Cc2ccon2)CC1"]
["194551125","CCCN.COc1cccc(O)c1-c1ccc(S)cc1F"]
["186712401","N#CC1CCC12CCC(c1ccnc3ccc(P)cc13)CC2"]
["170816419","N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C#N)n1"]
["182599527","c1ccc(-c2cc(-c3ccccc3)nc(-c3c[nH]c4ccc5c6ccccc6[nH]c5c34)c2)cc1"]
["173574380","Cc1ccc2c(c1)[n-]c1ccc(C)cc12.[Y]"]
["168332412","Pc1ccc2c(c1)-c1cc3[n-]c(cc4[n-]c(cc5nc(cc-2n1)-c1ccc(S)cc1-5)c1ccc(S)cc41)c1cc(P)ccc31.[Zn+2]"]
["187091323","CC(C)[Si-](=c1ccc(=[Si](C)C)cc1)([C+]1C=CC(=[Si](C)C)C=C1)C(C)C"]
["171762213","C[Si](C)=C1C=C[C+]([Si](C)(C)CC[Si](C)(O[Si](C)(CC[Si-](C)(C)=c2ccc(=[Si](C)C)cc2)c2ccccc2)c2ccccc2)C=C1"]
["113650936","CC(NC1CC1C)c1ccnn1C"]
["91343867","CC(C)c1ccc2c(c1O)=c1c(O)c(C(C)C)ccc1=2"]
["34289567","C[Si](C)=c1ccc(=[Si](C)C)c(=[Si](C)C)c1=[Si](C)C"]
["33982872","CC(Nc1ncnc2c1C1CCCC1S2)c1ccccn1"]
["180593660","CC(I)c1cc(C(=O)O)ccn1"]
["MCULE-2876064880","CC(C)c1nn(-c2c(F)cncc2F)c(N)c1C(F)F"]
["96822803","C[Si](C)(C)[Si](=C1C=C1)[Si](C)(C)C"]
["77497665","CC(C)C([NH3+])c1ccccn1"]
["143237836","CC(Cc1ccc(C(C)C)cc1)N=C(O)N(C)CCc1ccncc1"]
["95667866","CC(NC(C)c1ccc(Cl)cc1Cl)c1ncc[nH]1"]
["171100065","[CH+]=C=C=C=[Si-]C"]
["97305985","[Be].[CH+]=C=[N-]"]
["177494427","CC1[SiH2]O[SiH2]C1C"]
["26277171","CC(O)CO[C]=O"]
["79058755","[C-]#C[C]=C=[CH+]"]
["62477512","C=CC1=CC(=C=C=[Si-]C)[C+](OC[Si](C)(C)C)C(COC[Si](C)(C)C)=C1"]
["172529483","C[Si-]=C=[C+]c1nccs1"]
["171362770","[CH+]=C=CC=[Si-]CCCC"]
["57646140","C[P+](=O)C#N"]
["173891802","C[Si-]=C=C=C1[CH+]C=CC(C)=N1"]
["175808836","C[Si-]C(C)(C)C.[Li+].[Li+]"]
["171050110","C[Si-]=C=C=C1[CH+]C=CC=C1N"]
["70190293","O=CCCCC(O)C(C=O)CCC(O)C(C=O)CCC=C(C=O)CC(C=O)C1CCCC(O)O1"]
["19378339","COCN1[C@@H](C(=[NH2+])O)CS[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O"]
["81779495","CC(C)=CCC[C@H](C)[C@@H]1OC[C@@H](C)O1"]
["165115849","CC(=CC(C)O)C=C(C)C(=O)CC1CC(CC(=N)O)CC(=O)O1"]
["65281574","CC(C)(C)C1CCC(=O)N(CCC=O)CC1"]
["95712489","COCC(C)CN1CCCC(C(=O)O)C1"]
["112042784","OC(CC1CCC1)=NCC(O)C(F)F"]
["184610524","N=C(O)C1CCCCC1CCC=O"]
["90665369","CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC=C(C)C)CCC32C)C1(C)C"]
["104693822","Cc1ccc(CN[C@H]2CCC[C@H](O)C2)s1"]
["181258202","O=CC(CCCCC(=O)O)C1CCCCC1"]
["34560228","CC(CCCC=O)O[Si](C)(C)C"]
["172497154","O=[S-](F)=N[S-](=O)=NS(=O)(=O)N=[S-](=O)F"]
["23170018","NS(=O)(=O)S(=O)(=O)F"]
["174944681","NS(=O)(=O)SCC=CF"]
["185354956","NS(=O)(=O)N=C([O-])[O-]"]
["195582194","NS(=O)(=O)C(Cl)=CCl"]
["169971339","O=S(=O)(N=C(O)F)N=C(O)N=C(O)F"]
["151213538","CC(C)[C@H](C)S(=O)(=O)F"]
["49844899","NS(=O)(=O)OC(F)(F)F"]
["58009494","CC(S(=O)(=O)F)S(=O)(=O)F"]
["197670416","CC(F)S(=O)(=O)F"]
["79255898","[K+].[NH-]S(=O)(=O)F"]
["175848402","O=S(=O)(F)N[N-]NS(=O)(=O)F.[Li+]"]
["186067562","C1=NN=c2nc3c(nc21)=CC[Se]3"]
["108171575","Clc1ccc(C2=CCC3=NN=CC3=C2)cn1"]
["147690598","O=C(O)C1CNC2=C3C=NN=C3C=CCC2C1"]
["163352074","CC1=NN=CC1=C1SNN=C1N"]
["66149145","CC(C)(C)N1CN(C(C)(C)C)C(N)=C2C=NN=C21"]
["185567094","O=C([O-])N1CC=C2C=NN=C2C1"]
["90198128","NC1(c2cccc(C(F)F)n2)CC1"]
["183773075","Fc1cc(F)cc(-c2ccc3c(c2)=NCC=3)c1"]
["93133599","CCC1SCCSC1C(O)Cc1nc(C)cs1"]
["108167612","CC1=C2C=NN=C2C=C[C@H]1Br"]
["101538820","C1=NN=c2ccc3c(c21)ONCC=3"]
["175789306","CC.CC1=CCC=NN=C1C"]
["178624748","CC(C)[N+]1(C)CCC2=C(C1)SC(=NC(O)=NC1=CCC(Cl)C=C1)C2=C(N)O"]
["160416758","CC1CC(C(O)=Nc2cn(C)nc2C(C)C)CCC1=O"]
["25900126","Cc1ccc(CC(O)=Nc2ncc(C(C)C)s2)cc1"]
["146247980","CC(N=C(O)[C@H]1CCCCN1)c1ccc(Cl)s1.Cl"]
["124852345","CC(C)c1nc2n(n1)CC(N=C(O)N(C)C(C)c1ccncc1)CC2"]
["146895647","CC(N)C(C)C(O)=Nc1ccc2nc(C3CC3)sc2c1"]
["75681341","C[C@@H]1[C@@H](N=C(O)[C@@H]2[C@H]([C@H](C)O)[C@H](CO)ON2Cc2ccc(C3(N)CCCCC3)cc2)C[C@H]2C[C@@H]1C2(C)C"]
["17022061","C[C@@H](N=C(O)OC(C)(C)C)C(O)=N[C@@H]1CCS(=O)(=O)c2ccccc21"]
["43034194","Cc1ccc(-c2csc(N=C(O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)OC(C)C)cc1"]
["77485438","CC(C)c1nnc(N=C(O)C2=CC(=O)N=C3C=CC=CC23)s1"]
["77775073","CC(C)C(C)(OS(C)(=O)=O)C(O)=NC(S)=NC1CC2CCC1C2"]
["179457382","CC(CC1C=CC(F)=CC1)N=CS"]
["73766033","[CH]1CN2CCN3CCN1C23"]
["158051370","C=C1CCN([C@H]2CC[C@@H]2CN)CC1"]
["159139483","C=C1CCN([C@H]2CC[C@H]2CN)C1"]
["120415263","OC1C2CC3CN(Cc4ccccc4Br)C1C3C2"]
["61160743","O=S(=O)(c1ccc(O)cc1)N1CCN(C2CC2)CC1"]
["81997117","NCC=CCN1CCN(C2CCCC2)CC1"]
["47713695","C1=C[C@@H]2[C@@H]3C=CC=CN3CCCN2C=C1"]
["MCULE-3649852353","O=C(c1ccc(F)c(F)c1F)N1CCN2CCc3c(Cl)cccc3C2C1"]
["64859186","CC(C)(C)N1CCN2CC=CC2C1"]
["19337912","O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1)N1CCCC1"]
["62974233","CC(C(=O)c1ccc(F)cc1F)N1CCN(C2CC2)CC1"]
["110995446","COCCC(=O)N1C[CH]CCC1"]
["91089971","N1NSN2SN3SN4SNNSN4SN3SN2S1"]
["74320408","[NH]N1CNCS1"]
["172796749","C1=C2SCCN2NOC1"]
["91089957","N1NSN2SNNSN2S1"]
["161809720","C1=CN2NNNC2S1"]
["44216271","[CH]1CSNN1"]
["25984946","ON1[C]=CNS1"]
["74549013","[O-]N1CS[N+](O)=N1"]
["174824875","O=S([O-])N1CCCNC1"]
["186160242","CN1[SiH2]N(C)N(C)S1"]
["161815614","c1cn2sn2[nH]1"]
["171905319","CN1CSC(P(C2SCN(C)CS2)C2SCN(C)CS2)SC1"]
["174370268","C[C@]12C3=C1[C@]1(C)C3C3C4=C(C31)[C@@]1(C)C2C41SN"]
["MCULE-3676561391","CC(O)=NCC1C(c2ccc(N)c(C)c2)C1(F)F"]
["81263069","Cc1c(C)c2n(c1C)C(=O)C1C(O)C(C)C(C)C(C)C1O2"]
["172180349","CC1(C)CC2CC(C)(C)[N-]C2=N1.[Ag+]"]
["91265328","CSCC1=C(C)C(O)CC12SCCCS2"]
["180236583","CC1CC2(C)CC(N)CC2(Br)C1"]
["186532821","Cc1ncc2c(n1)[C@@]1(C)C=C(C#N)C(O)C(C)(C)[C@@H]1CC2"]
["180824793","CCC12CCC(CC1=N)C2(C)CC"]
["180918761","CC(CCN(C)C)Oc1ccc(N)c(SC2=C(C#N)[C@@H]2C)c1"]
["MCULE-9205117611","CC(=O)SCC1C(c2ccc(N)c(N)c2)C1(F)F"]
["173029933","CSC1=C(C)C(C)C(N)=C(N)N1N"]
["159192527","C[C@@H]1C[C@@]1(C)c1n[nH]c(=N)n1N"]
["96897367","Cl[14CH2][14CH]1[14CH2]O1"]
["55311423","C1=NN=CON1"]
["182110762","CCS(=O)(=O)[Si](C)(C)Cl"]
["172694059","CS[P+](C)(Cl)Cl"]
["32861930","C(CCCO[14CH2][14CH]1[14CH2]O1)CCO[14CH2][14CH]1[14CH2]O1"]
["172339692","CN1NN=CO1"]
["161705859","N=C(Cl)S(=O)(=O)Cl"]
["33933199","CCCCCCCCCCCCO[14CH2][14CH]1[14CH2]O1"]
["32608652","O=C(Cl)C[14CH2]Cl"]
["160642211","C[14CH2]Cl"]
["33404591","CO[14C@H]1[14CH2]O[14C@H]2[14C@@H]1O[14CH2][14C@H]2OC"]
["111026353","O[14CH2][14C]1(O)O[14CH2][14C@@H](O)[14C@@H](O)[14C@@H]1O"]
["79404555","C[C+]1CCC[CH-]C(C)CC1"]
["190417003","C.CC1CC[N+]2(CCCCC2)C1"]
["86902736","CC(N[C@H](C)C1CCCCCC1)C1CCCC1"]
["181516746","[C-]#[N+]C1(C)CCCC(C)C1"]
["MCULE-8294689881","Cc1cc(C)c(C2=C(NC(C)C)C(=O)N(C3CCCCC3C)C2=O)c(C)c1"]
["195806611","C[C+]1C#CCC1"]
["173017486","C.CC.CC1CCCC1"]
["179736914","CC1CCC(N)C2C(=O)C3CCCCC3C(=O)C12"]
["150355664","C=C1CCC2CCCC(C)C12"]
["101176250","CC(C)[NH2+]C1CCCCC1C"]
["176317013","C[C@@H]1CC2(CCCCCC2)N1C"]
["82797167","CC(C)OC(=O)n1ccc(=O)cc1.O=C1C2CCCCC12"]
["179007759","F[B-]=IC(I=[B-]F)I=[B-]F"]
["179391211","FI=[B-]=IC(I=[B-]=IF)I=[B-]=IF"]
["191373868","[F-].[O-]C(F)(F)C(F)F"]
["171848778","FC(F)C(C(F)F)(C(F)F)C(F)(F)C(F)(F)F"]
["78690841","F[C](F)CC(F)C(F)(F)C(F)F"]
["176082518","[Na+].[O-]C(F)(F)C(F)F"]
["173058435","F.FC(F)C(F)(F)F"]
["79563169","FC(F)[SiH3]"]
["58251676","C.[O-]CC(F)F.[Rf]"]
["57677838","CCCC(C)(N)C(F)F"]
["174838570","F.FC(F)F.c1ccccc1"]
["177161273","[2H]P([B+])[B-]#[B-]F"]
["167449042","CC(C)(C)B1N(C(C)(C)C)B(C(C)(C)C)[Si](C)(C)[Si](C)(C)N1C(C)(C)C"]
["97609922","CC(C)(C)c1cccc(C(C)(C)C)c1OB1N(C(C)(C)C)B(Oc2c(C(C)(C)C)cccc2C(C)(C)C)N1C(C)(C)C"]
["32368029","CC(C)(C)N1CCN(C(C)(C)C)[Si]1(Cl)Cl"]
["188809381","C[C@H]1CN(C)CCN1C(C)(C)C"]
["60813509","CC(C)(C)B1N(C(C)(C)C)B(C(C)(C)C)N1C(C)(C)C"]
["167407469","CC(C)[Si]1(Br)N(C(C)(C)C)CCN1C(C)(C)C"]
["83169806","CC(C)(C)N1CC(C(F)(F)F)C1"]
["79728660","CB1C2=CC(C)=CC2B(C)N1C(C)(C)C.[Zr-]"]
["55983032","C[C-]1C(CC[N-]C(C)(C)C)C(C)C(C)C1CC[N-]C(C)(C)C.[CH3-].[Zr+4]"]
["50651251","CN(C)C=C1C(=O)CN(C(C)(C)C)CC1=O"]
["101226370","CC(C)(C)[Si]1(C(C)(C)C)[SiH]2[SiH]([SiH]3[SiH]2[Si](C(C)(C)C)(C(C)(C)C)[Si](C)(C)[Si](C)(C)[Si]3(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)[Si](C)(C)[Si]1(C)C"]
["54985064","CCn1cccc1CNC(C)(C)CC"]
["175113547","BrB=BB(Br)B(Br)B(Br)B(Br)B(Br)B(Br)B(Br)B(Br)B(Br)B(Br)Br"]
["173958800","Br[B]B(Br)Br"]
["172144670","CC=C[CH+]c1cccc([O-])c(=O)c1"]
["199371562","N.[N]1[N-]N=NN1"]
["50242540","CC1=NC2NN=NC=C2S1"]
["97345527","N#CC1N=NNC1C#N"]
["195952591","CN1[N-]N=NN1"]
["78521249","O=C1[CH]N=NN1"]
["76138920","[Br-].[CH+]1CN=NN1"]
["173298900","O=S1CN=NN1"]
["67268082","Cl.c1c[nH]c(-c2ncc[nH]2)n1"]
["195666401","C=S=C1NN=NC1=C"]
["75176268","SC=C1N=N[N]N1"]
["75479260","[CH+]1CN=NN1.[I-]"]
["78063962","[Na+].[c]1ncc[n-]1"]
["167257018","ClC1=C[CH+]C(=[C]N[P-]N[C-]=C2C=CC(=[Cl+])C=C2)C=C1.[W].[W]"]
["83432644","[O-][N+]1=c2ccccc2=NNC1=C1C=CC(=[Cl+])C=C1"]
["145509308","CC(C)n1ccn(C(C)C)c1=NN=C1C=CC(=[Cl+])C=C1"]
["101054780","[O-][N+](O)=C1C=CC(=c2c(=C3C=CC(=[Cl+])C=C3)nc3ccc(Cl)nn23)C=C1"]
["186052422","CN=CNc1c(Cl)c(OC)cc(OC)c1Cl"]
["99651087","CN(C)c1ccc(/C=N/N2C=CN(/N=C/c3ccc(N(C)C)cc3)C2=C2C=CC(=[Cl+])C=C2)cc1"]
["200187699","C.CC(F)(F)C1=C(c2ccccc2)C=CC(=C=C=[C-]Nc2cccc([O-])c2)[CH+]1.[V]"]
["99328503","ClC1=C[CH+]C(=[C-]c2ccccc2)C=C1.[Zr+2]"]
["33382692","Clc1ccc(N=C2C=CC(=[Cl+])C=C2)cc1.F[B-](F)(F)F"]
["178451071","PCN(N=C1C=CC(=[Cl+])C=C1)c1ccc(Cl)cc1"]
["20007156","Sc1nnc2n1CN=c1c-2c[nH][n+]1=C1C=CC(=[Cl+])C=C1"]
["162170718","Cl.[N-]=[N+]=C1C=CC(Cl)=CC1=O"]
["180962599","[Cl+]=[SiH]N[SiH+]N[SiH]=[Cl+]"]
["195805283","CN[I-]O[I-]NC"]
["195805284","CN[I-][OH+][I-]NC"]
["183620409","[Cl-].[O-]NN=[Cl+]"]
["79919930","NC(=[Cl+])N[O-].P"]
["184425492","[Cl+]=[SiH]N[SiH2]N[SiH]=[Cl+]"]
["179103786","[Cl+]=[SiH]N[SiH+]N[SiH+]N[SiH]=[Cl+]"]
["79868589","O=[SiH]NN[SiH]=O"]
["101726444","Cl[SiH]=[Cl+]"]
["79440618","F[SiH2]O[SiH2]F"]
["75436314","PCC1C2C(P)[C@H]12"]
["191582163","Br.COCP"]
["179539142","PC1CCC2(CC1)CC2"]
["49833135","[3H]C(C)P"]
["180387037","CC1C[C@H](P)C(C(F)(F)F)C(P)C1F"]
["180341681","C=NC1CC[C@@H](CP)N1"]
["84160754","CP(C)(=S)CCP"]
["68337318","OC[C@@H]1C[C@H]1C1CCCCC1"]
["109024857","CS(=O)(=O)OC[C@H]1C2[C@H]3C4C5[C@@H]3C([C@H]5[C@H]42)[C@@H]1COS(C)(=O)=O"]
["195693784","CCC1C(CP)CCC[C@@H]1N"]
["187780074","PCCC1C(C2CCCC2)C(C2CCCC2)CCC(C2CCCC2)C1C1CCC1"]
["195596161","CCC(N)CCP"]
["101079352","Nn1c[n+](C/C=C/Cn2c[n+](N)cn2)cn1"]
["178491959","CCC(C[n+]1cnn(CC)c1)n1cccn1"]
["152671","Br.Br.[NH-]C(=O)c1cc[n+](C/C=C/CN2C=CC(=CN=O)C(F)=C2)cc1"]
["135180447","C(=CCN1CCOC(Cn2cccn2)C1)CN1CCOC(Cn2cccn2)C1"]
["171538706","CN(C)S(=O)(=O)n1cc[n+](CC=CCl)c1"]
["170627656","CCO[Si](O)(O)CCC[n+]1cnn(CC2=CC=CC2)c1"]
["164298347","N[n+]1cnn(CC#CCn2c[n+](N)cn2)c1.[Br-].[Br-]"]
["170502330","COC(=O)c1ccc(Cn2c[n+](Cc3ccc(C(=O)OC)cc3)cn2)cc1.[Br-]"]
["60181463","CC(C)(C#N)c1cc(Cn2c[n+](N)cn2)cc(C(C)(C)C#N)c1"]
["65521956","CC(C)CNCc1nc(C(C)C)ncc1-n1cc(Br)cn1"]
["1158391","CCCCCCCC[n+]1cnn(CC(O)(Cn2c[n+](CCCCCCCC)cn2)c2ccc(F)cc2F)c1"]
["186990346","CCCCn1c[n+](Cc2cccc(C)c2)cn1.[Cl-]"]
["150758909","S=[SH]12SSC1S2"]
["173011214","C=CCCC(=C)CC1CC1"]
["174841033","S=C1SC(Cl)=CC1Cl"]
["171877383","S=P(SC1CSC1)(SC1CSC1)SC1CSC1"]
["161851574","S=S1C=C(S)C(S)S1"]
["180655210","S=C1[N-][CH+][N-]C=I1"]
["174557921","CCC1C2SSNC12C=O"]
["74030397","CCC1C=CSS1"]
["171400417","NC1SSS1"]
["101467172","NC1SSC1N"]
["174996958","C=CC1SSSS1"]
["75803422","CC1C[SH]1(C)=S"]
["172251378","C[Si](C)=[Si][Si]#[Si][Si]#[Si]Cl"]
["183666151","CCOC(=O)c1ccc2c(c1)C(C)=C(CCl)S2=O"]
["170590150","C[Si](C)[Si](C)(C)[Si](Cl)(Cl)Cl"]
["83059607","C[Si](C)(C)N([Si](Cl)Cl)[Si](C)(C)C"]
["161916780","CCOP(OCCCl)OCCCl"]
["62792384","C[Si](C)[O+]=[Si-]CCl"]
["174776441","C[Si](C)Cl.[HH]"]
["99655381","C[Si](C)[O+]=[Si-].C[Si](CCl)[O+]=[Si-]"]
["174900276","CC(C)[SiH2]Cl.C[Si](C)C"]
["99252066","C[Si](CCl)O[Si](C)(C)C"]
["91106669","CC[Si](C)C=CCl"]
["64957528","CCOP(COCOCCl)OCC"]
["78939277","BOCSOB"]
["79586908","BOCCCC[CH2-].[Na+]"]
["78495481","BOCC1C(=C)C(C)C(C)C1C"]
["171228693","C=COC(CO)=C(CO)CO"]
["51743948","OCCSOOO"]
["171953916","CCOCCOCSOSCOCCOCC"]
["50107486","ClSCOCSCl"]
["68861711","OOOSCC(O)CNC1CCOCC1"]
["78395293","BOC(=O)CCl"]
["149873866","CCOSCOC"]
["26907095","BOCCN"]
["78092585","BOC(CCl)CCl"]
["182160371","[C-]1=CC=C[C+](N2C=COC2)C1"]
["51383895","CC[Si](C)(C)N1C=COCC1"]
["181874927","N#Cc1c(F)cc(N=C(O)N2C=COC2)cc1F"]
["190184643","CC.[C-]1=CC=CC1.[Li+]"]
["91150091","CCC=C1C=CC=[C-]C1.[Na+]"]
["48378524","[C-]1=CC=CC1.[K+]"]
["145200762","O=S(O)N1C=COC1"]
["173169894","CCCC.[C-]1=CC=CC1.[Hf]"]
["171706696","[C-]1=CC=CC1.[Zr]"]
["173181288","C1=CN(C2=CONN2)CO1"]
["79697488","C1=CO[N]CO1"]
["176896340","[B+]=C1C=CC=[C-]C1.[Ho].[Ho]"]
["56150013","[Mg+2].[O-]B([O-])OOOB([O-])[O-]"]
["179623854","CC(=O)OB([O-])[O-]"]
["172829783","[Mg+2].[O-]B([O-])OCCCC(c1ccccc1)(c1ccccc1)c1ccccc1"]
["175533651","CC(=O)C(=O)OB([O-])OC(=O)C(C)=O.[K+]"]
["78198143","[O-]B([O-])O.[Tl+].[Tl+]"]
["185769856","[O-]B([O-])OC(=C(c1ccccc1)c1ccccc1)c1ccccc1"]
["79457844","[Gd+3].[O-]B([O-])[O-].[Zn]"]
["99304886","N.[O-]B(O)OB(O)[OH2+]"]
["192930003","[Ag].[O-]B([O-])Cl"]
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["141896609","CCN(CC)S(=O)(=O)NCC1CCCCC1C"]
["121274132","CCCN(C)S(=O)(=O)NCC(=O)OC"]
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["99539327","C/C(=C\\c1c[cH-][cH-][cH-][cH-]1)C(=O)[c-]1cccc1.CC(=O)[c-]1cccc1.[Fe]"]
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["200178891","[B+]C1([B+])N=C(C2=CO[c-]3[cH-][cH-][cH-]cc3O2)NC1([B+])[B+]"]
["196366732","[B+]C1([B+])N(c2[n-][c-]([O-])n3c4c(c(-c5cc(Cl)c(F)cc5F)c(C(F)(F)F)[cH-]c2-4)SCC2(COC2)C3)C([B+])([B+])C([B+])([B+])N([C-]([O-])[CH-][CH2-])C1([B+])[B+]"]
["174356239","O=C(C#Cc1ccccc1)c1cc[cH-]c1.O=C(CCCCc1c[cH-][cH-][cH-][cH-]1)[c-]1cccc1.[Fe]"]
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["199589813","COC(=O)C1=C(Nc2ccc(C)c(O)c2Cl)C(=O)N(CCO)C1"]
["85629963","CCCCCOc1cc(C)c(N)c(C(=O)OC)c1"]
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["136916744","COC(=O)c1ccc(CN(C)C(=O)c2sccc2C#N)cc1"]
["144679282","Cc1c(C)c(C2(C(=O)O)CCCC2)c(C)c(Cl)c1O"]
["11189158","COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c1C"]
["178052026","PN([SH](Cl)Cl)S(Cl)(Cl)Cl"]
["90154622","CC(C)C(C(F)(F)F)S(=O)(=O)Cl"]
["60008463","CC(N(C)P)C(C)(F)F"]
["99001770","C=N.O=S(=O)(Cl)Cl"]
["85363846","CN(CCS(C)(=O)=O)S(=O)(=O)Cl"]
["176767074","CC(O)CCN(C)P"]
["175370004","CN(C)P.O=P(O)(O)O"]
["91416661","[O]S(Cl)(Cl)Cl"]
["193976647","O.O=S(=O)(Cl)Cl"]
["24616504","CC(C)CN(CC(C)C)S(=O)(=O)Cl"]
["48110118","CC(=O)N(C(C)C)S(=O)(=O)Cl"]
["79922896","O=S(=O)(Cl)P(O)O"]
["171984136","OSN=B[B]P"]
["57521888","O[B]P.P.[Y]"]
["182738221","[N-]=[N+]=NN(Cl)SO"]
["78230747","CC(C)(O)C(O)=NSO"]
["52539232","CN[B]P"]
["179993018","C/C=C(\\C)SN=NC"]
["99734333","C=CN=NSC(=C)C"]
["182867333","[N]=NN=BSO"]
["69593457","[B]=P([B]P)=BP"]
["78342881","O=S(=O)(B=NSO)C(F)(F)F"]
["149812037","OSN=CS"]
["174071131","C=CC(O)=NSO"]
["170660804","[2H]c1n2cc[n+]1CCC[n+]1ccn(c1)CCC2.[I-].[I-]"]
["136740142","Cc1ccc(OC2CCN(C(=O)c3ccn(-c4c(F)cccc4F)n3)CC2)cc1"]
["95375661","NC1(C(=O)N2CCCN(CC(=O)O)CC2)CCOCC1"]
["18926550","Cc1ccc([C@@H]2c3cccn3CCCN2Cc2c(F)cccc2F)cc1"]
["104728984","CCCN1CCCn2cccc2[C@@H]1c1cc(C)ccc1C"]
["183514107","C[n+]1ccn(C23C=CC(CC2)C3)c1"]
["161745300","CC(O)[n+]1ccn(O)c1.[Br-]"]
["191038304","CC[n+]1ccn(C2CCCC2)c1.[Br-]"]
["48844505","c1cc2[nH]c1C[n+]1ccn(c1)Cn1cc[n+](c1)Cn1cc[n+](c1)C2"]
["120428819","NC1CCCc2c1ccn2-c1cc(I)ccc1Br"]
["1134717","O=S1(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc(cc2)C[n+]2ccn(c2)Cc2ccc1cc2.[Br-].[Br-]"]
["74712143","[Br-].[Br-].c1c[n+](C[n+]2ccn(C3CCCCC3)c2)cn1C1CCCCC1"]
["170119699","Cc1c2cccc1c1cccc(oc3cccc4c5cccc(o2)c5[pH][n+]34)[n+]1C"]
["67996092","Cc1c(C(=O)OCC(=O)c2cc(C)n(C)c2C)oc2ccccc12"]
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["MCULE-3234588789","Cc1c(C(=O)N2CC(Cl)C2)oc2ccccc12"]
["175514490","CC.Cc1nc(CCc2nc3c4cccnc4ccc3n2C)nc2cccnc12"]
["15428145","Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)oc2ccccc12"]
["3658547","Cc1c(-c2ccc(O)cc2)n2c3c(cccc13)O[C@H](CCN1CCN(c3cccc[nH+]3)CC1)C2"]
["77389616","COC(=O)C=Cc1c(C)c2ccccc2n1S(=O)(=O)c1ccccc1"]
["53944143","Cc1cc2oc(=O)cc(C[n+]3cccc(C)c3C)c2cc1C(C)C"]
["80345862","CCOC(=O)c1c(CN2CC[C@H](O)C2)oc2ccccc12"]
["16935810","COc1ccccc1/C=C/C(O)=NN=C(O)c1oc2ccccc2c1C"]
["99057826","CCNC(=O)c1oc2ccccc2c(=O)c1C"]
["99440700","[Se]=C1C=C2C(=[O+]c3c(c(=[Se])c(=[Se])c(=[Se])c3=[Se])C2[Se-])C(=[Se])C1=[Se]"]
["99404256","[Se]=C1C=[O+]C([Se-])C(=[Se])C1=[Se]"]
["99639776","N#CC1=[N+](N)CC2=CC(=[Se])C(=[Se])C(=[Se])C2=C1[Se-]"]
["187333503","Cn1c2c(c3ccccc31)C1Cc3c(c4ccccc4n3C)C1C2"]
["99403838","[Se]=C1C=CC=[O+]C1[Se-]"]
["187333504","Cn1c2c(c3ccccc31)[C@@H]1Cc3c(c4ccccc4n3C)[C@@H]1C2"]
["170660474","CC1=[O+]C=CC(=[Se])C1=[Se]"]
["174423480","CC1=CC(=[Se])C(=[Se])C(CS)=C1"]
["99373982","[Se]=c1c2c(c(=[Se])c(=[Se])c1=[Se])C(c1ccccc1)c1c(c(=[Se])c(=[Se])c(=[Se])c1=[Se])O2"]
["97048472","Cn1c2c(c3ccccc31)[C@H]1Cc3c(c4ccccc4n3C)[C@H]1C2"]
["161801153","Clc1ccc(C2c3c(c(=[Se])c(=[Se])c(=[Se])c3=[Se])Oc3c2c(=[Se])c(=[Se])c(=[Se])c3=[Se])cc1"]
["161801147","Fc1ccc(C2c3c(c(=[Se])c(=[Se])c(=[Se])c3=[Se])Oc3c2c(=[Se])c(=[Se])c(=[Se])c3=[Se])cc1"]
["174066578","C1=CC2C3C4C5C6C7C8C9C%10C%11CC%12C%13C%14C%15C%16C%17C%18CC%19C%20C%21C%22C%23C%24C%25C%26C%27C%28CC=C%29C=C%30C=C%31C=C%32C%33C%34C=C1C21C%342C%33%34C%32%33C%31%32C%30%31C%29%28C%27%28C%26%27C%25%26C%24%25C%23%24C%22%23C%21%22C%20%21C%18%19C%17%18C%16%17C%15%16C%14%15C%13%14C%12%11C%10%11C9%10C89C78C67C56C45C31C21C%342C%333C%324C%31%28C%27%12C%26%13C%25%19C%24%20C%23%24C%22%23C%18%21C%17%18C%16%17C%15%16C%14%11C%10%11C9%10C89C78C67C51C21C32C4%12C%133C%194C%205C%246C%18%23C%17%12C%16%11C%10%11C9%10C89C71C23C49C5%10C%126%11"]
["42083716","C1C2C3C4C5C6C7C8C9C%10CC%11C%12C%13C%14C%15C%16C%17C%18CC%19C%20C%21C%22C%23C%24C%25C%26C%27CC%28C1C1%29C%30C2C32C43C54C65C76C87C98C%11%10C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%19C%20%15C%21%16C%22%17C%23%18C%24%19C%25%20C%26%21C%27C%22C%28%23C%24C1C1%25C%24%26C%23%24C%22%21C%20%21C%19%20C%18%19C%17%18C%16%17C%14%15C%13%14C%12%13C%11%12C%10%11C98C78C67C56C45C34C%302C%291C41C%252C%263C%24%21C%204C%199C%18%10C%14%17C%13%14C%12%13C%118C78C67C51C21C34C92C%14%10C%138C712"]
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["81593323","CC12C34CC5CC6C7C8CC9C%10C%11C%12C%13CC%14C%15C%16CC%17CC1%18C%17%16C%151C%14%13C%12%13C%11%12C%10%11C89C7(C563)C4%11C2%12C%181%13"]
["174075964","C1C2C3C4C5CC6C7C8CC9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22CC%23C%24C1C21C2C%25C%26C3%27C3C%28C%29C4%30C4C%31C%32C5%33C6C75C89C%106C%117C%128C%31(C%327C%3356)C45C%138C%144C%156C%167C%178C%189C%19%10C%20%11C%21%12C%23%22C%241C2%12C%25%11C%26%10C%279C38C%287C%296C%3054"]
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["190828235","CC(N=Nc1cccc[n+]1C)=NN=c1ccccn1C.CC(N=Nc1cccc[n+]1CCO)=NN=c1ccccn1CCO.OCCn1ccccc1=NN=CN=Nc1cccc[n+]1CCO"]
["199370301","CN(C)C=Nc1cccc[n+]1Cc1ccccc1"]
["171625765","CCCCCCc1cccc[n+]1CCCCCCCCCCO"]
["73981463","O=C(O)CCn1ccc(=NN=C(N=NCC(C(=O)O)[n+]2ccn(C(=O)O)c2)c2ccccc2)cc1"]
["94180811","Cc1ccccc1SCC(=O)n1cccc/c1=N/C(C)C"]
["106028190","C=CCOc1cccc(/C=N\\N=C(O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1"]
["58523825","C/C(=N/NS(=O)(=O)CCCCn1cc[n+](C)c1C)c1ccccc1.O=S(=O)([O-])C(F)(F)F"]
["135825812","Cc1c(C(C)NC(O)=NCC(Nc2ccccc2)C(C)C)cnn1C"]
["9262156","COc1cccc(/C=N/N=C(O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1"]
["97428497","CC[C@H](C)CN1C(=O)C(N=C(C)O)Cc2c1ccc1ccccc21"]
["166152353","CC(C)N=c1ccccn1C(=O)C1=NN(c2ccc(F)cc2)C(C(=N)O)C1"]
["98084406","Cn1cccc2ccc(=[NH+]C(=O)Cc3ccc(CC(=O)Nc4ccc5c(ccc[n+]5C)c4)cc3)cc1-2"]
["192960019","[B+]C(c1cn(CCOCC[N]N=[N-])nn1)C(F)C(F)C(F)c1cn(CCOCCN=[N+]=[N-])nn1.[B]C(C#C)C(F)C(F)C(F)C#C.[N-]=[N+]=NCCOCCN=[N+]=[N-]"]
["55409772","CCCN=C(O)C(C)Sc1nnc(-c2ccc(OC)cc2)n1CCc1ccccc1"]
["92200483","COCCn1cc(C(C)N)nn1"]
["182432077","[N-]=[N+]=NCCn1cc(-c2ccccc2F)nn1"]
["MCULE-4634477338","CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cccc(OC(C)C)c1"]
["115020687","NCc1cn(CCOc2cc(F)c(Cl)cc2Br)nn1"]
["80168817","COCCOCCOCCOCCOCc1cn(CCCCC(N=C(O)NC(CCC(=O)O)C(=O)O)C(=O)O)nn1"]
["57326995","CCc1ccc(OCc2nnc(Sc3ccc4nnnn4n3)n2C(C)c2ccccc2)cc1"]
["133659027","COCC(C)N(C)C(=O)C(=Cc1cccc(OC)c1)n1nnnc1C"]
["181863481","CNCc1cc(F)ccc1OCCN=[N+]=[N-]"]
["47495047","CCOC(OCC)c1cn(Cc2cccc(OC)c2)nn1"]
["198207315","Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1cn(Cc2ccccc2)nn1)c1c(C)[nH]n(-c2ccccc2)c1=O"]
["174072776","[B+]=C1[CH-]C(=[B+])c2c(c3c(n2[C-]2C(=[B+])[CH-]C(=[B+])C(=c4[cH-][cH-][cH-][cH-]c4=[B+])C2=[B+])C(=[B+])[CH-][C-]([C-]2[CH-]C(=[B+])c4c(c5c(n4[C-]4C(=[B+])[CH-]C(=[B+])C(=c6[cH-][cH-][cH-][cH-]c6=[B+])C4=[B+])C(=[B+])[CH-]C(=[B+])C5=[B+])C2=[B+])C3=[B+])C1=[B+]"]
["174070764","[B+]=C1[CH-]C(=[B+])c2c(c3c(=[B+])c(=[B+])c4c5c(n([C-]6[N-][C-](c7ccccc7)[N-][C-](c7ccccc7)[N-]6)c4c3n2-c2cccc(-c3cccc(-c4ccccc4)c3)c2)C(=[B+])[CH-]C(=[B+])C5=[B+])C1=[B+]"]
["174101620","[B+]=C1[C-]=C2[C-](OC3=C(n4c5c(c6c4C(=[B+])CC(=[B+])C6=[B+])C(=[B+])C(=[B+])[CH-]C5=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]23)C(=[B+])C1=C1[N-][C-](C2=[C-]CCC=[C-]2)[N-][C-](c2ccccc2)[N-]1"]
["173695158","[B+]C1C(O)=NC(=O)C([B+])(n2c(=O)[c-]3[c-](N)c(=[B+])c(=[B+])[cH-][c-]3[n-][c-]2C)C1([B+])[B+]"]
["174101125","[B+]=C1[CH-]C(=[B+])c2c(c3c(n2-c2ccc4c(c2)oc2c(-[c-]5nc(-c6ccccc6)[n-][c-](-c6ccccc6)[n-]5)cccc24)C(=[B+])[CH-]C(=[B+])C3=[B+])C1=[B+]"]
["174096644","[B+]=C1[CH-]C(=[B+])c2c(c3c(n2-c2cc(-c4ccccc4)c4oc5cc(-c6n[c-](-c7cccc8c7oc7ccccc78)[n-][c-](-c7ccccc7)[n-]6)ccc5c4c2)C(=[B+])[CH-]C(=[B+])C3=[B+])C1=[B+]"]
["174102708","[B+]=C1[CH-]C(=[B+])c2c(c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3n2-c2cccc3c2oc2cccc([C-]4[N-][C-](c5ccccc5)[N-][C-](c5cccc(-c6ccccc6)c5)[N-]4)c23)C1=[B+]"]
["174101257","[B+]=C1[CH-]C(=[B+])c2c(c3c(=[B+])c(-c4cc(=[B+])c5c(c6c(n5[C-]5[CH-][CH-][CH-][CH-][CH-]5)C(=[B+])[CH-]C(=[B+])C6=[B+])c4=[B+])cc(=[B+])c3n2-c2ccc3c4c(oc3c2)=C[CH-][CH-]C=4)C1=[B+]"]
["174073066","[B+]=C1[CH-][CH-][C-]([c-]2[cH-]c(=[B+])[c-](-n3c4c(c5c(=[B+])c(=c6c(=[B+])c(=[B+])[c-]7[c-](c8[cH-]c(=[B+])[cH-]c(=[B+])c=8n7[C-]7C(=[B+])[CH-]C(=[B+])[CH-]C7=[B+])c6=[B+])c(=[B+])c(=[B+])c53)[CH-]C(=[B+])C(=[B+])C4=[B+])c(=[B+])[cH-]2)[CH-][CH-]1"]
["174152117","[B+]=C1[CH-]C(=[B+])C(=[B+])[C-]([c-]2[cH-][cH-][cH-]c(=[B+])c2=[B+])C1=[B+]"]
["174101087","[B+]=C1[CH-]C(=[B+])c2c(c3c(n2-c2ccc(C4=N[C-](c5ccccc5)[N-]C(c5ccccc5)=N4)cc2C2=N[C-](c4ccccc4)[N-]C(c4ccccc4)=N2)C(=[B+])[CH-]C(=[B+])C3=[B+])C1=[B+]"]
["174100414","[B+]=C1[CH-]C(=[B+])c2c(c3c(=[B+])c(=[B+])c4c5c(n([C-]6[N-][C-](c7ccccc7)[N-][C-](c7cccc(-c8ccccc8)c7)[N-]6)c4c3n2-c2cccc(-c3ccccc3)c2)C(=[B+])[CH-]C(=[B+])C5=[B+])C1=[B+]"]
["149959853","C1CC2C3CCC4C5=C6C7C4CCC4C8CCC9C%10CCC%11C1=C1C2C(C53)C2C6C3C(C47)C8C9C4C%10C%11C1C2C34"]
["109379822","CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@H]3[C@H](C3C(=O)OC(C)(C)OC3=O)[C@@H]6[C@@H]25)C(=O)O1"]
["172929765","CC(C)(C)C1C[C@@H]2[C@H]1[C@@H]1[C@H]2[C@H]2[C@@H]3CC[C@@H]3[C@H]21"]
["186269255","O=C1CC[C@@H]2[C@H]1[C@H]1[C@@H]3CC[C@@H]3[C@@H]21"]
["173670313","CN1CC23C4=C5CCC6C7CCC8C9CCC%10C%11CCC%12=C(C=C4)C2(C2C%12C%11C4C%10C9C9C8C7C7C6C5C3C3C7C9C4C32)C1c1ccc(OCCCN)c(OCCCN)c1OCCCN"]
["179449907","CCC1C2C3CCC3C3C4C(C5CCCC5)C5=C6C(CC5)CC5(N)C6C4C(C23)C15"]
["184598684","C1CC2C3CCC4C5=C(C3C15)C42"]
["42031577","C1CC2C3CCC4C1C1C4C4C3C2C14"]
["185807996","CC1C2=C3C(C1CC2)C1C(C)C3C2C1CC1C3CCC(C3)C12"]
["151536583","COC(=O)[C@]1(Cc2ccccc2)[C@@H]2[C@@H]3CCC4=C5[C@H]6[C@H]([C@@H]43)[C@@H]2[C@@H]2[C@@H]6[C@H]3[C@@H](CC[C@@H]53)[C@H]21"]
["184449152","CCCCCCCCC1(CCCCC2C=CCC3C2C2=C4C5C3C3CCC6C7CCC8C9CCC%10C%11CCC2C2C4C4C%12C5C3C6C3C7C8C5C9C%10C(C%112)C4C5C3%12)c2cc(C)ccc2-c2ccc(C)cc21"]
["178252784","C1CC2C3CC4=C1[C@@H]3C42"]
["182837473","[N-]=N[N+]#SC12CC3CC(SC4CC4)(C1)C(SCC1CC1)(SC1CCC1)C(SC1CCCC1)(C3)C2(SC1CCCCC1)SC12CCC(CC1)C2"]
["100569177","CC(C)(C)BC(N=C(O)OC(C)(C)C)C(=O)N1C[C@]2(CC1C(O)=NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C21CCC1"]
["62262391","CCCC1CC(SC2CCCCC2)(C(=O)O)C1"]
["183377413","CC(C)(C)OC(O)=NC1C(O)CCCC1N=[N+]=[N-]"]
["182954910","[N-]=N[N+]#SC(SCC1CC1(F)F)C1CC1(Cl)Cl"]
["181939563","COc1ccc(CN(SCC2CCCCC2)C(=O)[C@H](C)N=C(O)OC(C)(C)C)cc1"]
["108660295","CCS[C@H]1CC[C@@H](N=C(O)C23CC4CC(CC(C4)C2)C3)C1"]
["181650377","[N-]=N[N+]#SC(SC1CCCCC1)(SC1CCCC1)C1CCCCC1"]
["183681758","CCCCCCSC1(S#[N+]N=[N-])C(SC)C(SCC)(SCCC)C(SC(C)C)(SC2CC2)C(SCCCC)(SC(C)(C)C)C1(SCCCCC)SCC(C)(C)C"]
["183829044","[N-]=N[N+]#Sc1c(SCC2CCCCC2)cc2ccccc2c1Sc1cccc2ccccc12"]
["181916958","[N-]=[N+]=NC(=O)N(N=C(O)C1CCCCC1)C1(N=C(O)C2CCCC2)CC1(N=C(O)C1CCC1)N=C(O)C1CC1"]
["183879024","CCCCCSC(SC1(SC(C)C)CCC(SC)C1(SCC)SCCC)(S#[N+]N=[N-])C(C)(SC1CCC1)C(SC(C)CC)(SC(C)(C)C)C(CC(C)C)(SSCCCC)SC1CC1"]
["172754632","[C-]#[N+]C12NC(O)=NC1(CCOC(=O)CCS)C(=O)N(CCOC(=O)CCS)C(=O)N2CCOC(=O)CCS"]
["MCULE-6893507434","CCCCCC(=O)OCCN1CCN(C)CC1"]
["176179726","CN(C)CC(O)=Nc1cc(N2C(=O)C(C)(C)N=C2O)ccc1OC(F)(F)F"]
["109437582","CCCC[C@@]1(c2ccccc2)N=C(O)N(CC(=O)Nc2ccc(Br)cc2)C1=O"]
["180748562","CC(C)(COC=O)C(=O)OCCN1C(=O)[C@@H]2C3OC34C=CC4[C@@H]2C1=O"]
["MCULE-1373359053","Cc1ccc(NCc2cc(=O)c(OCC(=N)O)cn2CCCn2ccnc2)cc1C"]
["7214288","CC#CCN1C(=O)[C@@](CCc2ccccc2)(C2CCN(C(=O)c3cccc(Cl)c3F)CC2)N=C1O"]
["64398444","CN(CCCC(=O)O)C(=O)CN1C(=O)C(C)(C)N=C1O"]
["82537321","CCCOC(=O)CN1CC(C)C(O)=NC1=O"]
["MCULE-1651781387","CCOC(=O)CCCOc1cn(CCCn2ccnc2)c(CN2CCC3(CC2)OCCO3)cc1=O"]
["52575105","CCC1(c2ccc(F)cc2)N=C(O)N(CC(O)=Nc2ccc(F)c(F)c2F)C1=O"]
["136473738","CCc1nnc(COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)n1C"]
["184561583","CC1(C)C2=c3c(c4c(n3C3=[C-]C=C=CC31)=CC=[N+]=C4)C=C=C2.[Al].[Al]"]
["175301848","Clc1ccc(N2C3=[C-]C=C=CC3Cc3cc(Br)ccc32)cc1.[Er]"]
["173020912","CC1OC2C=C=C[C-]=C2CC2=[C-]C=C=CC2O1.[Y].[Y]"]
["178661490","Cc1cc(=O)n(C2=[C-]C=C=CC2C)cc1-c1cnn(C)c1.[CH3-].[U+2]"]
["79439850","CCCCCCCC1(CCCCCCC)C2=C[C+]=CC=C2C2=[C-]C=C=CC21"]
["194563204","[CH-]=C1NC2=CC=C=CC2C1(C)C.[K+]"]
["178312335","CCN(CC)CCN1C(=O)N2CC3=C(C[C@@]2(C)C1[NH-])[C+]1C=C=C[C-]=C1N3C.[CH3-].[U+2]"]
["145506644","C1=C[C-]=C2C3=CC=[C+]C=C3C3(CC4CCC3C4)C2C=1"]
["159050412","COC(=O)C1C=C=C[C-]=C1I"]
["179008266","CC(C)C(=O)N1CCC[C@@H]1C.[O-]S1(O)N=CC2=[C-]C=C=C[C+]2N1.[U+2]"]
["174865322","CC1=NC2=[C-]C=C=CC2C1(C)C.[CH3-].[Os+2]"]
["172086567","Cn1nnn(-c2cccc(I)c2COC2=[C-]C=C=CC2C(F)F)c1=O.[Y]"]
["178753769","C=NC1CN(C(C)(C)C)C(C(C)(C)CCC(C)(C)N2CC3CNNC3C2C(C)(C)C)C1CC"]
["113826609","CCC1CN(C[C@@H](C)O)C(CC)CN1"]
["157230978","CC[C@H]1CCN([C@H]2CCNC2)C1"]
["174753826","CCN=c1nc(C)c(C(=O)N2CC3CNCC3C2)c(C)[nH]1.[NH2-].[Pr]"]
["171904403","CC1CC2CNNC2C(S(=O)(=O)N(C)CC(O)=Nc2ccn(C(C)C)c(=O)c2)C1"]
["179209179","C=NC1CC([NH3+])CN(C(C)(C)C)C1"]
["146368478","CCC1CCCN(C(C)(C)CN=C(O)CC(C)C2CCNCC2)C1"]
["156955210","C[C@H]1CN(C)[C@@H](C(C)(C)C)CN1"]
["156152982","CCOC(=O)c1ccc([C@H]2CNCCN2C(C)(C)C)cc1"]
["107809404","CCN1C[C@H](C)NC[C@@H]1c1ccc(C(C)(C)C)cc1"]
["150179411","CCC1CN(CC(C)(CO)CO)N=N1"]
["88431615","CC(C)(C)C1CN(C2CCCCCC2)C(C)(C2CC2)CN1"]
["191704381","Cc1nc(C)c2c(C)c(C)c(C)nc2n1.Cc1nc2nc(C)c(C)c(C)c2nc1C.Cc1nc2nnc(C)c(C)c2c(C)c1C"]
["172561086","Cc1ccc2c(ccc3nc(C)nc(C)c32)c1"]
["56085986","Cc1nc(C)c2nn[nH]c2n1"]
["32387323","Cc1nc(O)c2c(-c3ccccc3)cc(-c3ccc(-c4cc(O)ccc4O)cc3)nc2n1"]
["43754800","Cc1nc2c(c(O)nc(=O)n2C)c(C)c1C"]
["174754301","CCCOCc1c(COCCC)c(C)c2nc(C)c(C)nc2c1C"]
["53546026","Cc1nc2c(C)cc(Cl)cc2c(N)c1C"]
["32664329","CCOc1nc(C)nc(C)c1C"]
["CSSS20621675603","Cc1nnc2sc(C(=O)NC3CCC(O)=NC3=O)c(N)c2c1C"]
["90087044","Cc1nc(N)c2snc(C)c2n1"]
["26161970","Cc1nc(C)c2cccnc2n1"]
["62283302","Cc1nc(N)c2nccnc2n1"]
["195545082","C=Ic1c(I)c(F)c(F)c(F)c1[B-](c1c(C)c(F)c([IH+])c(F)c1I)(c1c(F)c(F)c(F)c(I)c1I)c1c(I)c(F)c(I)c(F)c1I"]
["171291913","Cc1ccc(F)c([B-](c2c(F)ccc(C)c2F)(c2c(F)ccc(C)c2F)c2c(F)ccc(C)c2F)c1F.[Na+]"]
["187542247","Cc1nc2c3c(nc(=O)n(I)c3c1F)N1CCN(I)CC1CS2(=O)=O"]
["45946949","COc1c(F)c(F)c(F)c([B-](c2c(F)c(F)c(F)c(OC)c2F)(c2c(F)c(F)c(F)c(OC)c2F)c2c(F)c(F)c(F)c(OC)c2F)c1F"]
["MCULE-8162749250","Cc1nn(-c2ncc(F)c(C)c2F)c(I)c1C"]
["60538407","CC(C)C1(NC2(C(C)C)CCCCC2)CCCCC1.COc1c(F)c(F)c(F)c([B-](c2c(F)c(F)c(F)c(OC)c2F)(c2c(F)c(F)c(F)c(OC)c2F)c2c(F)c(F)c(F)c([OH+]C)c2F)c1F"]
["184504937","C=Ic1c(F)c(F)c(F)c(OCC(C)=O)c1F"]
["MCULE-4002207420","Cc1nn(-c2ccnc(C)c2F)cc1I"]
["MCULE-2376219139","Cc1c(C(F)(F)F)nn(-c2c(F)c(F)c(F)c(F)c2F)c1I"]
["169880557","FC(F)=C(F)c1c(F)c(F)c([B-](c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)(c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c(F)c1F.[Na+]"]
["79454482","C[NH+](C)Cc1ccccc1.Cc1ccc(F)c([B-](c2c(F)ccc(C)c2F)(c2c(F)ccc(C)c2F)c2c(F)ccc(C)c2F)c1F"]
["179025576","Cc1c(F)c(F)c(I)c(F)c1I"]
["66071506","[CH2+]C([CH2+])([CH2+])[N-]C([O-])=C1CCC2=C3C[C-]=C4[C+]=C(C(=O)[O-])CCC4([CH2-])[C]3CCC12[CH2+]"]
["184126635","O=C([O-])NC1CCC(F)(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)CC1"]
["148735601","O=C(c1ccc2c(c1)CC[C@@]1(CCN=C1O)C2)N(O)Cc1ccc(Cl)cc1"]
["185453492","O=C([O-])NC12CC=CCC1Oc1ccccc12"]
["18909854","O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(Cl)cc1F"]
["181042467","CC1(C)CCC(C)(C)c2cc(C(/C=C/c3ccc(C(=O)[O-])cc3)Cc3ccc(Cl)cc3)ccc21"]
["153455448","O=C(O)c1pc(P(Cl)Cl)c2ccc(O)c(N(N3C(=O)[C@@H](Cl)C3(C(=O)c3ccccc3)C(=O)c3ccccc3)[N+](=O)[O-])n12"]
["16558174","O=C1CCCc2cc(NC(=O)[C@H]3CCC[NH2+]3)ccc2N1"]
["194911041","COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C([C@H](C)C(=CC(=O)O)CC3)[C@@H](O)C[C@@H]12"]
["22198242","O=C([O-])c1cc2c(c(S(=O)(=O)Nc3ccc(Cl)cc3F)c1)CCC2"]
["14906123","C[C@@](CC(=O)Nc1ccc2c(c1)CCC(=O)N2)(C(=O)[O-])c1ccccc1"]
["177940488","COC(=O)C(/N=C/c1ccccc1)(C(=O)OC)[C@@H]1CCc2ccc(Br)cc21"]
["179942910","Cc1sc(C(S)=C(O)C(O)=Cc2sc(C3=[S+]C(=C4SC(c5sc(C)c(O)c5O)=C(O)C4=O)C(O)=C3O)c(O)c2O)c(O)c1O"]
["90624862","Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNCC(C)C)C(=O)C(O)=C3C(C)C)C(=CNCC(C)C)C(=O)C(O)=C2C(C)C"]
["100191083","C=CCN1[NH+]=C(C)SC1=CC=C1C(=O)C=CC(O)=C1O"]
["30526961","Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=C1SCCCS1)C(=O)C(O)=C3C(C)C)C(=C1SCCCS1)C(=O)C(O)=C2C(C)C"]
["44261008","C=CCn1c(=O)/c(=C/c2ccccc2)s/c1=C(\\C#N)S(=O)(=O)c1ccc(C)cc1"]
["31196342","CC(=CC1=C(O)C(=O)C(c2ccccc2)=C(O)C1=O)c1ccccc1"]
["22199163","C=CCOC(=O)c1sc2[nH]c(CN(CCOC)C[C@H](O)Cc3ccccc3)[nH+]c(=O)c2c1C"]
["152593992","CC1=NN(c2ccccc2)C(=O)[C@@H]1C=Nc1sc2c(c1C(O)=Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2"]
["77241322","CC1=C(C)C2C(=O)N=C(CC(O)=NNC=C3C=CC(=O)C(O)=C3)N=C2S1"]
["83034717","CCC(N=C1NO[N+](=O)C1=Nc1csc(S(=O)(=O)N(CC)CC)c1O)c1ccc(C)s1"]
["150531521","C=CCc1cc(C)cc(/C=N/NC(=N)S)c1O"]
["69831308","CC1=C(C2=C(C)C(N=Nc3ccccc3)C3=C(C2=O)C(=CNc2ccccc2)C(=O)C(O)=C3C(C)C)C(=O)C2=C(C(C(C)C)=C(O)C(=O)C2=CNc2ccccc2)C1N=Nc1ccccc1"]
["150613151","Fc1cc2c(cc1F)C1=Nc3c4cc(F)c(F)cc4c4n3B(Oc3c(F)c(F)c(F)c(F)c3F)n3c(c5cc(F)c(F)cc5c3=N4)=NC2=N1"]
["MCULE-2779124512","COc1c(F)c(F)cc(C(=O)N=c2c(C)c[nH]cc2-c2ccncc2)c1F"]
["78332713","Cc1ccc2c(c1)C1=NC2=Nc2c3cc(C)ccc3c3n2[Si](O[Si](C)(C)C)(O[Si](C)(C)C)n2c(c4ccc(C)cc4/c2=N/C2=NC(=N3)c3cc(C)ccc32)=N1"]
["169870442","Cn1ncc(Br)c1-c1c(F)c(N2CCC2)cc(OC2CC2)c1C#N"]
["MCULE-3988737616","Cc1nc(F)ccc1-c1cc(F)c(F)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1"]
["172909542","C#Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)CC)c1"]
["8150873","O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccc(F)c(F)c1"]
["32442460","CCCOc1ccc2c(c1)/C1=N/c3c4ccc(OCCC)cc4c4n3B(Cl)n3c(c5ccc(OCCC)cc5/c3=N/C2=N1)=N4"]
["97303899","O=S(=O)(CCCCCCCOc1c(Cl)cc(Cl)cc1Cl)Oc1c(F)c(F)c(F)c(F)c1F"]
["176555717","O=c1ccc2cc(S(=O)Oc3c(F)c(F)c(F)c(F)c3F)ccc2n1-c1cc(F)c(Br)cc1O"]
["MCULE-8721603816","CCn1nccc1-c1cc(F)c(N=C(O)Cc2cc(C)no2)cc1C"]
["MCULE-6641669204","CCn1nccc1-c1cc(F)c(N=C(O)Cn2nc(C)cc2C)cc1C"]
["195306764","CC=C=C=C=C(C=C=CC)C1=C2CCCC=C2C(C)C2=C=CCC=C21"]
["17863186","C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CC=CCC1"]
["57105091","CC(C(=O)OC1=CCCC1)=C(CC(O)O)C1=CCCC1"]
["175567315","CC=C(C)C.CCC1=CCCC[C@H]1C.Cc1ccccc1"]
["170005051","C=C/C=C\\C(=C/C)C1CCC=C(/C(C#CC)=C/C(CC=C)CC/C(=C/C=C)CCC)N1"]
["4965817","C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cccnc1"]
["78145639","Cc1cc2c(cc1F)=NC1=CCCCC=21"]
["176873170","C=CC1=C(C=C)C(C)CCC1.CC.CC"]
["68029833","CCN1CCCC1CN=C(O)c1cc(N(CC#N)S(=O)O)ccc1OC"]
["195990812","CC1C=CC2C(C1)C(C(C#N)C#N)C1CCCC=C1C2C(C#N)C#N"]
["75219661","C=C=C(CC/C1=N/c2[nH]c3ccc(C(C)C)cc3c2CCCC=C=C1)OC1CCCCC1"]
["173794327","C=CNPNC(C)C1=CCCCC2=C1CC=CCC=C2"]
["48815037","CC1(C)Cc2c(sc3c2C2NCNN2c2nnc([S-])n2-3)CO1"]
["171444823","CC1(C)Cc2c(c(N3CCCC3)nc3sc(CC(=N)O)c(N)c23)CO1"]
["7977619","CC1(C)Cc2c(sc(N=C(O)c3ccccc3Cl)c2C(N)=O)CO1"]
["77289944","CC1N=C2N=C(O)C3C4=C(COC(C)(C)C4)SC3N2C1C"]
["51583478","CSc1c2sc3c(nc2c2nnnn12)CCN(C)C3"]
["22809834","CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(=O)n(-c5ccc(Br)cc5)cnc4c23)CO1"]
["83315530","CCC1(C)CC2=C(CO1)SC1=NC(S)=NC(=N)C12"]
["77532366","CC1(C)CC2=C(CO1)SC1=NC(=O)N(CC(=O)O)C(=O)C12"]
["27656607","CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(=NC5CCCO5)[nH]cnc4c23)CO1"]
["7185635","Cc1cccc(N=c2[nH]cnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)c1"]
["199974666","Cc1ccccc1C1=NC2(CC2)c2nnc(C)n2-c2sc3c(c21)C[C@H](C)C3"]
["19110337","C=C(C)CSc1nc2sc3c(c2c(N2CCN(CC(=O)N(CC)CC)CC2)[nH+]1)CC(C)(C)OC3"]
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["82506704","CCC1C2C(CCC3(C)C2C(CC)C(CC)C3(O)CCCO[Si](C)(C)C)C2(C)CCC(O)CC2(O)C1CC"]
["SN0343977-01","CC1(C)C[C@H]2[C@H]1CCC1(C)C[C@@]2(O)CC[C@@H]1O"]
["97285904","C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O"]
["110855809","C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]12COC3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O"]
["84173687","CC1(C)CCC(O)C2(C)OC3(C)CCC132"]
["8600602","C[C@@H]1C[C@]23O[C@H]2C(=O)CC[C@H]3[C@@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]21"]
["179751887","CCOC[C@@]1(O)CCC2C(CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](N)CC)CC[C@@H]32)C1"]
["99269774","CC(C)[C@H]1CC[C@@]2(C)C(=NC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1.CC(C)[Si](=O)C(C)C"]
["154249431","CC1=C(C)[C@@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]45C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O"]
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["101148843","[N-]=NN=C1N([O])C(=NN(O)C2=[N+]([O-])C(=NN=[N-])N=C([N-]N=[N-])[N+]2=O)[N+](=O)C(=NN=[N-])N1[O-]"]
["145701632","O=[N+]([O-])C1=C/C(=C2/C=C([N+](=O)[O-])C=C(c3cc([N+](=O)[O-])cc[n+]3[O-])[N+]2=O)N([O-])C=C1"]
["53208598","CC(=O)N1CCCN(C)C1=NN([O-])O"]
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["103022320","[N-]=NN=C1N([O])C(=NN=N)N([O-])C(=NN=C2N([O-])C(NN=N)=NC(=NN=N)[N+]2=O)[N+]1=O"]
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["115691856","COC(=O)c1cccc(N=C(O)c2cnn(C)c2N(C)S(=O)(=O)c2ccc(C)cc2)c1O"]
["16913625","O=C(O)C1=CC(c2ccc([O-])c(O)c2)=NC2=NN=C(c3ccc(Cl)cc3)[C@H]12"]
["195092756","CC1=CCC(=O)N(C)c2c1cnn2-c1ccc(N([O-])O)cc1"]
["173292630","CCC1(C)C(=CC=CC2=Nc3c(ccc([N+](=O)[O-])[n+]3C)C2(C)C)N=C2C1=CC=C([N+](=O)[O-])N2C"]
["168485976","CC1(C)N=C(c2cc(N(O)O)ccc2[O-])N([O])C1(C)C"]
["195813914","[O-][NH+]1O[NH+]([O-])c2cc(I=c3cc[c-]4c(c3)[NH+]([O-])O[NH+]4[O-])ccc21"]
["195545067","Cc1ccc2c(c1)[NH+]([O-])O[NH+]2[O-]"]
["195969525","O=Nc1cc([NH+]([O-])c2ccc3c(c2)[NH+]([O-])O[NH+]3[O-])ccc1[NH+]([O-])O"]
["75159111","CC(C)(C)Nc1nc(-c2cccc(C(C)(F)F)n2)nc(=Nc2cc(Cl)cc(S(C)(=O)=O)c2)[nH]1"]
["180016737","CCCCNc1ccc(I=c2cc[c-](C(=O)/C(C)=N\\N=C(C)O)cc2)cc1"]
["195538121","[O-][NH+]1O[NH+]([O-])c2cc(O)ccc21"]
["74541582","Cc1cc(F)ccc1-c1nc(=NC(C)(C)CO)[nH]c2c1CNC[NH+]2[O-]"]
["195801758","C[NH+]([O-])O[NH+]([O-])c1ccc2c(c1)[NH+]([O-])O[NH+]2[O-]"]
["25956147","CC(C)(C)Cc1csc(-c2cc3cc(O)ccc3o2)n1"]
["178759189","CCCc1cc(I=c2cc[c-]([N+](C)(C)C)c(N=O)c2)ccn1"]
["195804214","[O-][NH+](OC1COC2C(O[NH+]([O-])c3ccc4c(c3)[NH+]([O-])O[NH+]4[O-])COC12)c1ccc2c(c1)[NH+]([O-])O[NH+]2[O-]"]
["197898211","CC(C)(C)c1csc(CNCc2cnsc2)n1"]
["195597689","I[Cl+]O/N=C1/COC2=[C-]CC[C-]=C21"]
["90147055","Cc1ccc2c(c1)OCC(C)(N)C2"]
["67241849","C[N-]/C(C)=C(/C)c1[c-][n+](C)c(C)[c-](C)c1=O.[Y]"]
["173175604","Fc1cc2c(c(-c3cccc(Cl)c3Cl)c1)OCC2"]
["128444413","CCOCCC1(C(O)=NC2CCOc3c(Cl)cccc32)CCC1"]
["171088480","CC.CC1=Cc2ccc(C)cc2OC1"]
["46087612","CC(=Nc1c(C)cc(Cl)cc1C)C(CCCO[Si](C)(C)C)=Nc1c(C)cc(Cl)cc1C"]
["75068245","CC1=Cc2c(ccc(C)c2Cl)OC1"]
["69751221","Cc1ccc2c(c1)OCC2=NO"]
["98388670","Cc1c(O)ccc2c1OCC2=NOCC=CCl"]
["172685977","FC(F)Oc1cccc2c1OC1(CCSCC1)O2"]
["160541009","COc1ccc(=NC(O)=N[C@@H]2CCOc3c(C)cccc32)[nH]n1"]
["171686595","NC12OS(=O)(=O)OOc3c(O)c4c(c(c3OS(=O)(=O)O1)OS(=O)(=O)O4)[C@H]2O"]
["172351774","O=C1OCCS(=O)(=O)C(=O)CCC(O)=NO1"]
["194488297","CCOP(=O)(C[C@H](C)[C@H]1OCC[C@@H]1O)OCC"]
["171141715","COc1cc(OC)c2c(c1O)C(O)CO2"]
["144704218","O=S1(=O)CCCCC1c1nnc2ccc(O)cn12"]
["177792272","C[C@@H]1OC(N)(C(=O)O)C(O)C1O"]
["96984261","O=C1C[C@H]2OC[C@@H]3C2O[C@]12CC[C@H](O)[C@@H]32"]
["172398925","C=Cc1c2cc(O)c(OC)c1OS(=O)(=O)O2"]
["178856016","NCC(=O)C[C@H]1C([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]1O"]
["181539859","O=C1CCC(=O)OS(=O)(=O)OO1"]
["188623897","Cc1cc(C(=O)C(C)C)c2c(c1O)O[C@H](O)C[C@@H]2C"]
["187108331","O=S1(=O)Oc2c(-c3ccc(O)cc3)n(c3ccccc23)O1"]
["175477675","C1OC1CN(P(CC1CO1)CC1CO1)P(CC1CO1)N=[P+](CC1CO1)CC1CO1"]
["169918955","CCC(C)N(CC1CC1)c1ccc(Cc2ccc(N(CC3CO3)C(C)CC)cc2)cc1"]
["84127133","CC(C)=CCCC(C)CC1OCC(CO)O1"]
["99147774","N#CCCc1c(O)n(CC2CO2)c(=O)n1CC1CO1"]
["151351038","CCOC(COC[C@H]1CO1)OCC"]
["191107969","C=C(N)CC1CO1"]
["100145102","O=C(O)/C=C(\\CC1CO1)C(=O)O"]
["175132263","CCOC(=O)Cc1ccc(-c2cccc(SN(C)C[C@H]3CO3)c2)cc1"]
["47845267","Cc1ccc(N(CC2CO2)CC2CO2)cc1Cl"]
["76220786","C(OCC1CO1)C1CO1.C1CC1"]
["170950610","N#CC(COCC(C#N)CC1CO1)CC1CO1"]
["172682695","CP(CC1CO1)CC1CO1"]
["149699140","CC(C)OC(=O)OC(C)OC(=O)c1cc2oc(CC(C)OC(=O)OCOC(=O)c3cc4oc(CCCOC(=O)OC(OC(=O)c5cc6occc6[nH]5)C(C)C)cc4[nH]3)cc2[nH]1"]
["123308620","CC(C)OC(=O)C(C)CN=C(O)NCC(CO)c1ccccc1"]
["81606084","COCOc1cc(OCC[Si](C)(C)C)cc(C(CCC2OC(C)(C)OC2C(CCC(C)C(C)C)OC(=O)c2ccccc2)[Se]c2ccccc2)c1C(=O)OCC[Si](C)(C)C"]
["MCULE-8021458042","CCCCc1ccc2[nH]c(C(O)=NC(C)c3ccc(CC)cc3)cc(=O)c2c1"]
["99489476","C#Cc1cc(C#Cc2ccc(CC(=O)OCCC[Si](C)C)c(F)c2)cc(C(=O)OC(C)C)c1"]
["63700269","CCCCCOC(=O)O[C@@H](C)CC(N)(Cc1ccc(OC(=O)CC(C)CC)c(OC(=O)CC(C)CC)c1)C(=O)OC"]
["135938746","CC(=O)OCCCc1cccc(NC(=O)c2ccon2)c1"]
["23043766","Cc1nn(CC(=O)OC(C)C)c(=O)c2cc3occc3n12"]
["186621472","CCCCOC(=O)OC(C)O/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C"]
["141356884","CC(C)Oc1ccc(CCCOC(=O)c2cc(O)nc(C3CC3)c2)cc1"]
["173904627","CCCC(=O)OCCCc1c2occc2cc2ccc(=O)oc12"]
["MCULE-4992584045","CC(C)OCCCN1C(=O)C(Nc2cccc(C(=O)OC(C)C)c2)=C(c2ccccc2)C1=O"]
["63310079","OC1(c2cc(COP)c3ccccc3c2COP)S[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1"]
["141422700","CN1CCCC1CNC(O)=NCc1cccc2ccccc12"]
["134578312","CC(C(C)S(C)(=O)=O)N(C)Cc1cccc(OCc2ccccc2)c1"]
["MCULE-4996042061","Cc1ccc(CNC(O)=NCCN=C(O)C=Cc2ccc(OCc3ccccc3)cc2)cc1"]
["139165590","Cc1c(COC(C)C)cccc1NCC(O)=NC(O)=NCc1ccccc1"]
["124247356","OC(=Nc1ccc(F)cc1Cl)N1CCC(COCc2ccccc2)C1"]
["61603958","O=C1SC(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1"]
["197612830","OC(=Nc1cccc2c1C1OC2C(O)C1O)OCc1ccccc1"]
["167402444","O=[N+]([O-])C[C@@H](N=C(O)OCc1ccccc1)c1cccs1"]
["116501759","CN=C(NCc1ccnc(N(C)C)c1)NCC(C)COCc1ccccc1"]
["8125981","CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)N2C(/C=C(\\[O-])NCc3ccccc3)=CSC2=N1"]
["179587598","CC(C)(C)OC(O)=NN=C(O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(OCc2ccccc2)c1"]
["91307581","OC1CC[Ge-]C(O)CC[Ge+]1"]
["74433566","CN[C@H]1CC[C@@H](O)CC1.Cl"]
["189297524","O[C@H]1CC[C@@H](NS)CC1"]
["184389613","OC1CCC2C=CNN2CC1"]
["154956975","C[C@@]1(C(=O)O)CCCN(C(=O)C2CCCC2)C1"]
["107470827","N#C[C@@H]1CC[C@@H](O)C1"]
["104886506","CC(=O)C1=NO[C@@H]2OCC[C@H]2C1"]
["27239205","CN(C)C[C@H]1CC[C@@H](CN(C)C)C1=O"]
["171952847","CC(C)=CCC1(O)CC2CCC(C1)N2"]
["169897473","C[C@@H]1[C@@H](O)[C@@H](C)CC[C@H]1C"]
["104897716","N[C@@H]1CCO[C@@H]1O"]
["162259661","O=C1CC2c3ccccc3C(C1)C2O"]
["181511340","CCC[S+](CCC([S+](C)C)[S+](CC)CC)C(S(CCN)=N[N+]#N)C(N)([S+](CCC#N)CCC#N)[S+](CC[N+](=O)[O-])CC[N+](=O)[O-]"]
["175106453","CCOC(=O)C(C(O)=Nc1ccccc1F)C(C[N+](=O)[O-])(c1ccccc1)C(F)(F)F"]
["114459383","CCC[C@H](N=C(O)N(CCC#N)CC(C)C)C(=O)O"]
["106312720","CCC[C@@H](N=C(O)N(CCC#N)CCOC)C(=O)O"]
["67911889","CCC(CC#N)N=C(O)c1cc(Cl)ccc1[N+](=O)[O-]"]
["67333050","CCC(CC)(CN)N=C(O)c1csc([N+](=O)[O-])c1"]
["91503070","CCCCC(CC)COC(=O)C(C#N)=NOCC#N"]
["27917899","CCCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)/C=C/C#N)c([N+](=O)[O-])c1"]
["11618785","CCc1cc2c(=O)n(C[C@H](C#N)CCC#N)cnc2s1"]
["182060947","CCN(C(=O)O)C(N)(NC)N(N=[N+]=[N-])C(S)(C#N)[N+](=O)[O-]"]
["47445297","CCCC(CCN)CCC(=O)N(C)C(C)CC#N"]
["MCULE-8981664039","CCCCC(C)N(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)c(C)c1"]
["47863221","N=c1[nH]c2[nH]cnc2c(=O)n1C12N=CN=C1C(=O)N=CN2"]
["187220624","Clc1ccccc1N=c1[nH]c(=Nc2cnc3ccccc3c2)c2nc[nH]c2[nH]1"]
["91801508","Cc1ccc(C(C)C)cc1Oc1nc(=N)[nH]c2[nH]cnc12"]
["102634925","O=C1C[C@@H](N=C(O)[C@H]2CCc3nc[nH]c3C2)CN1C1CC1"]
["85753628","Cc1cnc2c(c1)[nH]c(=N)n2Cc1cscc1C"]
["175959107","N=c1nc[nH]c(=N)[nH]1.[Na+]"]
["162299707","N=c1ccn(C2=NC=NC(=O)C2N)[nH]1"]
["62202951","FC(F)(F)c1nc(N2CCCC2)c2nc[nH]c2n1"]
["81151118","CC(C)=C=CN1C(=O)C(=Cc2[nH]cnc2C)c2cc(F)ccc21"]
["180968435","N=c1[nH]cnc2c1NCC2[C@]1(I)[I+][C@H](C[O-])[C@@H]([O-])[C@H]1O"]
["557670","COC1OC(COc2nc(=N)[nH]c3[nH]cnc23)C2OC(C)(C)OC12"]
["99718355","[B+]=C1C=CC2=C(C1)N(c1nc(=N)[n-]c3[nH]cnc13)CC21CCN(C)C1"]
["179690358","OC(O)C1=c2c#cccc2=NC2C=CC#CC12"]
["111817663","Cc1cccc(C(=O)C(O)C(C)(C)C)c1C"]
["184219531","c1cccc(C(c2ccccc2)C2C=CC=CC2)c#1"]
["159983192","OC(=NC1CCOC2(CCOC2)C1)N=c1ccc(C2CC2)n[nH]1"]
["162134443","N#CCC(N)c1ccc(I)cc1O"]
["119983116","COc1c(C(O)c2ccnnc2)ccc(C)c1C"]
["150409773","CC1C#CC=CC1C"]
["156629242","Cc1ccncc1[C@@H](O)C(=N)O"]
["162758233","Cc1ccc(C(O)C2CCCC2)nn1"]
["94835245","Cc1ccc(C(O)C2CCCCCN2)cn1"]
["60527708","CO[C@]1(CO)O[C@@H](N2C=CC(N)N=C2O)[C@H](O)[C@@H]1O"]
["162545780","Cc1ccc([C@H]2CCCN2)c(O)n1"]
["183802292","N#[N+][N-][N+](NC1=CCC(=S(=O)=O)C=C1)=C1C=C(S(=O)[O-])C=CC1=S(=O)=O"]
["173901427","N=C(N)N=C(O)C1=CCC(=S(=O)=O)C=C1"]
["63058277","O=C1C=CC(=CNc2ccc(S(=O)(=O)NN3CC=CCC3)cc2)C=C1"]
["60098844","O=C1C=CC(=CNN2C(=O)C3C4C=CC(C4)C3C2=O)C=C1[N+](=O)[O-]"]
["26247784","[NH]C1=CCC(=S(=O)=O)C=C1"]
["78122289","C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C/[N+](=O)[O-])CC[C@@H]12"]
["26327369","NC1=C(C(=O)O)CC(=S(=O)=O)C=C1"]
["66188003","O=S([O-])c1ccc(OC2=CCCC=C2)nc1"]
["191178498","[C-]#[N+]c1cc(Cl)cc2c1C[C@H](N1CCCCC1)[C@H]2Oc1ccc(S(=O)(=O)NC2CCN(CCOCC[N-][N+]#N)CC2)cc1"]
["184249818","CN1C=CC(NC=C(C=[NH2+])c2ccc3c(c2)N(C)C(=O)C3(C)C)=CC1"]
["73813775","CC(Cl)C1=CCC(=S(=O)=O)C=C1"]
["172824550","O=S(=O)=C1C=Cc2cc(Nc3ccccc3)ccc2C1"]
["180719543","Ic1cc2cc3c(cc2[nH]1)I=IN3"]
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["MCULE-8605021129","FC(F)c1sc(Cl)c(Cl)c1Cl"]
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["94746138","CC1Cc2c(sc(Cl)c2N)C(C)O1"]
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["162395624","Ic1nnc(C(C2CCC2)C2CCC2)s1"]
["195514890","FC(F)(F)[C@H]1CC1c1cnc(I)c(Cl)c1"]
["162844370","Clc1c(I)sc2cccc(CBr)c12"]
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["99422035","[N-]=N[N+]#[Si]CCC[CH-]CC[Si]#[N+]N=N.[Na+]"]
["179364859","[CH-]=CCCCC[CH-]CCC.[Cl-].[Rh+3]"]
["185176113","CCCC[CH-]CCCC"]
["182313381","CC[C@H]1CCCC[C@@H]1N=[N+]=[N-]"]
["99008035","CC.[N-]=[N+]=NC[C@@H](O)C[C@@H]1CCCCC[C@H]1N=[N+]=[N-]"]
["173366324","CCCC[CH-]CCCCCCC.[CH2-]C(CC)CCCC.[Mg+2]"]
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["172227400","CC(C)(C)[Si]#[N+]N=[N-]"]
["182307471","CCCCC(CC)(CCCC)C(CC)(CCCC)N=[N+]=[N-]"]
["181051586","[N-]=N[N+]#S(Cl)(Br)I"]
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["91322044","N=C(S)NC1CC2CC1C1CC=CC21"]
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["170401412","CCOC1CC23[C@H]4O[C@]2(C)CC[C@@]3(CC4=O)O1"]
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["183442546","COOOCCOOCCOOCCCOOOC(F)(C(F)C(F)(F)OOC(F)C(F)(F)OOOC)C(F)(F)OOC(F)=C(F)F"]
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["78750419","CCCCCCCCCOOOC"]
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["166745377","COC(=O)Cc1c(OC(F)(F)F)cc(C(F)F)nc1CBr"]
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["173261695","CC(C)(C)OC([O])=[NH+]C[C@H](F)COP[O]"]
["172286626","CC(N)CCCCCCCOOOO"]
["175193826","OB(OOOC(F)CCC(F)(F)F)OOOC(F)CCC(F)(F)F"]
["75787651","CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c2)cc1"]
["98311938","COC(=O)Cc1cccc(Cl)c1OCCCc1cn(-c2ccc(C(F)(F)F)cn2)nc1C(C)C"]
["99687352","CCC(CSSSSCC(CC)C(CC)[Si-]=[O+]C)C(CC)[Si-]=[O+]C.CCC(SSSC(CC)[Si-](OC)OC)[Si](OC)=[O+]C.CCCO[Si](=[O+]CC)C(C)CSSSSCC(C)[Si-](OCC)OCCC"]
["99773609","CCO[Si](=[O+]CC)C(C)SSC(C)[Si-](OCC)OCC"]
["161873472","CO[Si](=[O+]C)C(C)C[Si]1(C)O[Si](C)(CC(C)[Si](OC)=[O+]C)O[Si](C)(CC(C)[Si-](OC)OC)O[Si](C)(CC(C)[Si-](OC)OC)O1"]
["99480273","CCC(C)O[Si](=[O+]C(C)CC)C(CC)CCSSCCC(CC)[Si-](OC(C)CC)OC(C)CC"]
["171406018","CCO[Si](=[O+]CC)C(CCSSCCC(OC)[Si-](OCC)OCC)OC"]
["172619332","CCO[Si](CCCN(C)C([Si-]CCCCCC(C)[Si](OCC)=[O+]CC)N(C)CCC[Si-](OCC)OCC)=[O+]CC"]
["99526012","CO[Si](=[O+]C)C(C)CCN(CCCCCCN)CCC(C)[Si-](OC)OC"]
["99345800","CO[Si](=[O+]C)C(C)CCNCCC(C)[Si-](OC)OC"]
["172750989","CO[Si](=[O+]C)C(C)CCN(CCCN(CCC(C)[Si-](OC)OC)CCC(C)(OC)[Si-]=[O+]CCN(C)C)CCC(C)(OC)[Si-]=[O+]CCN(C)C"]
["99345789","CO[Si](=[O+]C)C(C)CCN(CCC(C)[Si-](OC)OC)C(=N)O"]
["99328991","COC.CO[Si](=[O+]C)C(C[Si-]=[O+]C)[Si-](OC)OC"]
["173987816","CCO[Si](OC(C)=NC(C)CCCCCC(C)O[Si-](OCC)OCC)=[O+]CC"]
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["173976236","[B]=C1C(=[B+])[C-](N([C-]2C(=[B+])C(=[B+])[C-]([C-]3C(=[B+])C(=[B+])C(=[B+])C(=[B+])C3=[B+])C(=[B+])C2=[B+])[c-]2[cH-]c(=[B])[c-]3[c-](c2=[B])C(C)(C)C(C)(C)[C-]2C(=[B+])C(=[B+])C(=[B+])C(=[B])[C-]23)C(=[B+])[C-]2[C-]1[c-]1c(=[B])[c-]3c(=[B])c(=[B+])c(=[B+])c(=[B])[c-]3c(=[B])[c-]1C2(C)C"]
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["110916221","[NH3+]CCOP([O])(=O)O[NH3+]"]
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["100879363","O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](OP(O)(O)=S)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O"]
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["99754173","CCCCOP(=O)(OCCCC)O[C@@H]1C(OCC)[C@H](OP(=O)(OCCCC)OCCCC)[C@@H](OP(=O)(OCCCC)OCCCC)C(OCC)[C@H]1OP(=O)(OCCCC)OCCCC"]
["199350929","[BH2-]([NH+]1[CH+]C=CN1)[NH+]1[CH+]C=CN1.[K+]"]
["74218784","C1=CNC[CH+]C1.[I-]"]
["175541511","N=C1C=CN[NH+]1[S-]"]
["167386313","C#CCN1C=NC2C(=N)N=CNC21"]
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["48640372","[CH]1[CH+]C=CN1"]
["175622645","Cc1c[c-][nH]c(=O)c1.[K+]"]
["170039972","C1=CC2(CCN1)CCNC2"]
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["173495738","[CH2-][C-](C[B+]C)C[B+]C"]
["99786427","C[P+](F)=NP(F)OCC(F)(F)F"]
["88042222","CCC/C(=C\\C(=O)O)C(F)(F)F"]
["199430153","B#[B-]B(C)C[B+]C"]
["171822414","[B]=Cc1ccccc1CNC"]
["120603705","Cc1[nH]c2ccccc2c1CCN(C)C(C)(C)C#N"]
["188875112","CN(C)CCc1c(F)[nH]c2ccccc12"]
["178410607","[CH2-][C-](OC)[C@H](C)[Br+]C"]
["173711498","[B]=CCCC[B]C"]
["173768021","[B]=CC(CC=C)(CNC)NC"]
["173973791","[B+]C[C-]([CH2-])N=C/C([B+])=C(/C)CC"]
["100935884","C1=CC=C(c2cc(-c3cc[c]s3)cc(-c3cc[c-]s3)c2)[S+]=1"]
["75090900","[c]1ccc(Cc2occ3ccccc23)s1"]
["185428381","Clc1cc[c-]s1.[Na+]"]
["96689541","Brc1cc(-c2ccccc2)[c]s1.[Br-].[Zn+]"]
["73952328","[c]1ccc(C2CNCCO2)s1"]
["75513974","FC(F)(F)Oc1cc[c]s1"]
["26812128","[c]1ccc(C2=NCCO2)s1"]
["81515094","Cc1cccc(CC(O)c2ccc(C3=CCCC3CCCc3cc[c-]s3)cc2)c1.[Y]"]
["165330285","[Br-].[Mg+2].[c-]1ccc(C2OCCO2)s1"]
["74000564","O=C(Oc1cc[c]s1)c1ccccc1"]
["75508401","N=C(N)c1cc[c]s1"]
["73796217","Cc1ncc(-c2cc[c]s2)s1"]
["74408602","c1cc[n+](-c2cccc[n+]2-c2cccc[n+]2-[n+]2ccccc2)cc1"]
["167333467","CC(C)(C)N(C(C)(C)C)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1"]
["91431685","C[n+]1ccccc1C=Cc1cccc(C=Cc2cccc[n+]2C)c1.[I-].[I-]"]
["67992864","CCCCCCc1cccc[n+]1-c1cccc[n+]1CCCCCC"]
["66656427","N#C/C(=C/c1ccccc1)Sc1cccc[n+]1[O-]"]
["194610108","N#CCCN1C(=O)C(=C(O)Nc2ccccn2)[n+]2ccccc21"]
["42036988","C(=Cc1c(-c2ccccc2)c(-c2ccccc2)c2ccccn12)C=C1C(c2ccccc2)=C(c2ccccc2)c2cccc[n+]21"]
["104434579","CC1=C(C)c2cccc[n+]2/C1=C\\C=C/C=C1/C(C)=C(C)c2cccc[n+]21"]
["181586562","N#[N+][N-][n+]1ccc(-[n+]2ccccc2)nc1-[n+]1ccccn1"]
["22877830","CC(C)(C)c1cc(-c2ccccc2)cc[n+]1-c1ccccc1.F[B-](F)(F)F"]
["110814528","CS(=O)(=O)NCc1ccc([C@H](O)c2ccccc2)s1"]
["10810746","O=S([O-])c1ccccc1"]
["81007641","ClC1=C(Cl)C2(Cl)CC1(Cl)C1=C2C2C(C1)C1C3C(C2C1(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C3(Cl)C1(Cl)Cl"]
["108994233","C[C@@]12C[C@@H]3[C@H](C[C@@H]1C(=O)N(C1CCCCC1)C2=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl"]
["164892605","O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl)c1cccs1"]
["109390238","O[C@@H]1[C@H](O)[C@@H]2C[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl"]
["100519125","OC1C=C(Cl)C2C1[C@@]1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"]
["109367030","CC(C)(C)OC1[C@H]2C=C[C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C21OCCO1"]
["148726228","O=C(O)[C@@H]1[C@@H](c2ccc(Br)c(Cl)c2)C1(Cl)Cl"]
["102882165","O=C1[C@@H]2[C@H](C(=O)N1CC13CC4CC(CC(C4)C1)C3)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl"]
["109240642","CC(=O)OC1[C@H]2CC[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl"]
["58365414","ClC1=C(Cl)[C@]2(Cl)[C@H]3C[C@@H]4O[C@@H]4C[C@H]3[C@@]1(Cl)C2(Cl)Cl"]
["145702716","O=C1[C@@H]2[C@H]3O[C@@H]([C@H]2C(=O)N1OCc1ccccc1)[C@H]1[C@@H]3[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl"]
["97339945","ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H](Cl)C(Cl)(Cl)C[C@@H]3[C@@]1(Cl)C2(Cl)Cl"]
["168505817","CC(C)[Si]1=[Si-](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si]1(C(C)C)[Si]1(C(C)C)[Si+](C(C)C)[Si](C(C)C)(C(C)C)[Si]1(C(C)C)C(C)C"]
["51929869","CC(C)CC(CC(C)C)(CC(C)C)[O+]=[Si-]"]
["110876924","CC(C)[Si]1(C(C)C)[Si](C(C)C)(C(C)C)[Si@]2(C(C)C)[Si]3(C(C)C)[Si](C(C)C)([Si]4(C(C)C)[Si]3(C(C)C)[Si@@]3(C(C)C)[Si](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si@@]43C(C)C)[Si@]12C(C)C"]
["96672332","CC(C)[Si]1(C(C)C)[Si](C(C)C)(C(C)C)[Si]2(C(C)C)[Si]3(C(C)C)[Si](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si]2(C(C)C)[Si]13C(C)C"]
["91171235","CC(C)[Si]1C[Si-]C[Si+](C(C)C)C1"]
["91291330","CC(C)[Si]1(C(C)C)P(C)[Si](C(C)C)(C(C)C)[Si]1(C(C)C)C(C)C"]
["100976668","CC(C)[Si]1=[Si-](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si@@]1(C(C)C)[Si@]1(C(C)C)[Si](C(C)C)=[Si-](C(C)C)(C(C)C)[Si]1(C(C)C)C(C)C"]
["96095447","CC(C)CN(CC(C)C)CC(C)C1CNC1"]
["100972485","CC(C)[Si]1(C(C)C)[Si](C(C)C)(C(C)C)[Si@]2(C(C)C)[Si@@]1(C(C)C)[Si@]1(C(C)C)[Si@@]2(C(C)C)[Si@@]2(C(C)C)[Si@]3(C(C)C)[Si@@]4(C(C)C)[Si@]5(C(C)C)[Si](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si@]5(C(C)C)[Si@@]4(C(C)C)[Si@]3(C(C)C)[Si@@]12C(C)C"]
["168460155","CC(C)[Si]1=[Si-](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si@]2(C(C)C)[Si+](C(C)C)[Si](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si@@]12C(C)C"]
["172614635","CC(C)[Si]1(C(C)C)[Si](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si](C(C)C)(C(C)C)[Si]1(C(C)C)C(C)C"]
["112811453","CCNC(C)c1nnnn1CCCCCSC"]
["167429323","c1s[s+]c2c1SSC2"]
["99102865","O=C1CSC=NC=N1"]
["162906477","Cl.NCc1nc(C(=O)N2CCCN2)cs1"]
["52755269","Clc1cc(C(Cl)Cl)cs1"]
["99176589","SOc1scc2c1OCCO2"]
["75138288","N#CC(C#N)=C1C=CC2=C1CSS2"]
["99990890","Br.CC(C)c1ccc(C2CC(c3ccc(F)cc3)=NN2c2nc(-c3ccc(Br)cc3)cs2)cc1"]
["93275163","CCc1csc(N2CCCCC2)n1"]
["17000441","Fc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3cccc(Cl)c3)C2)cc1"]
["32332678","CC1=CCSS1"]
["52505839","c1ccc(-c2csc(N=Nc3nc(-c4ccccc4)cs3)n2)cc1"]
["161654823","F[B-](F)(F)F.c1ccc(C2=[S+]CCS2)cc1"]
["178877306","C1=C[NH+]2c3c1cc1c(c3=c3ccc4ccc5ccc6c7c8ccn9c8c(c8ccn(c87)n3c4c5n62)c2ccc3ccc4ccc5c6c7cc[nH+]c7cc7cc[n+](nn2c3c4n59)c76)=CC=[NH+]1"]
["178696297","N=c1[nH]cc2ccc(Br)cc2c1N=Nc1ccc(-c2ncc(-c3cc(Br)cc4c(N=Nc5ccc(-c6cnn(-c7cc(Br)cc8c(N=Nc9ccc(-n%10cnnc%10)cc9)c(=N)[nH]cc78)c6)cc5)c(N)ncc34)cn2)cc1"]
["21057243","COc1ccc(NC(=O)C(=O)NCc2cn3cc(C)ccc3n2)c2ccc[nH+]c12"]
["190001827","CN(C1=CC=CC(C)(c2ccc(N3CCOC[C@@H]3C(F)(F)F)cc2)C1)c1nc2nncn2c2cc(Cl)ccc12"]
["175380900","CCc1[nH]c2nc(Oc3ccc4ccc[nH+]c4c3)nc(Oc3ccc4c(O)cccc4c3)c2c1Br"]
["42339647","COc1cc2nc(CCn3c(=O)n4n(c3=O)C3CC5C(=O)N(c6cc(-c7sc8ccc(Cl)cc8c7C)nn6C)C(=O)C5(C)C(c5cc(Br)c(O)c(OC)c5)C3=CC4)c(=O)n(C)c2cc1OC"]
["CSSS02370622052","Cn1nc(Br)c2ccc(NCc3ccn(CC(F)F)n3)cc21"]
["170780357","OC(=NCc1ncn2ccc(Br)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1"]
["178952335","C[n+]1cccc2cc([N-]C(=O)c3cccc(-c4cccc(C(=O)Nc5ccc6[nH+]cccc6c5)n4)n3)ccc21"]
["190002157","CN(c1cccc(-c2ccc[nH]2)c1)c1nc2nn(-c3cc(-c4cncnc4)cc(N(C)c4nc5nncn5c5ccccc45)c3)c[n+]2c2c1=CC=C=C=2"]
["186023053","COc1cccc(/C=C/c2nc3ccc(N=Cc4ccc5c(c4)CN4CN5Cc5cc(Br)ccc54)cc3s2)c1OC"]
["179509628","Cc1oc2c(C)c(Oc3cc[nH+]c4cc(O)ccc34)ccc2c1C(O)Nc1ccc(N2CCOC2)nc1"]
["70060188","CCONC1=C=C(C(C)=C2N=C(N=C(C)[O-])C([C-](O)OC3C(C)CC(C)CC3C)=C2C)C(C)=C1COOC1C(C)CC(C)CC1C.CCONC1=NC(=C(C)C2=C(C)C(=C(O)OC3C(C)CC(C)CC3C)C(N=C(C)[O-])=N2)C(C)=C1COOC1C(C)CC(C)CC1C.[Zn]"]
["99791960","Cc1ccc(NC(/C=C(\\N)C(C)(C)C)=NC(O)=N[C@H]2CC[C@@H](Oc3ccc4nnc(CN5CCN(C)C(CO)C5)n4c3)c3ccccc32)cc1"]
["148724654","CCOc1cnc(O[C@@H]2C[C@H]3C(O)=NC4(C(O)=NS(=O)(=O)C5(C)CC5)CC4/C=C\\CC[C@@H](C)C[C@@H](C)[C@H](NC(=O)O)C(=O)N3C2)c2ccccc12"]
["22287742","C[C@H]1CCCN(C(O)=Nc2cccc(-c3ccc([O-])nn3)c2)C1"]
["MCULE-9790757800","CC1CCC(OC(=O)c2ccnc(N=C(O)CCN3C(=O)c4ccccc4C3=O)c2)CC1"]
["199954572","CC(O)=Nc1cc(-c2cc(-c3cc(NC(O)=NCCC4(C)CC4)c(F)cc3C)cc(C3CC3)n2)ccn1.Cc1ccc2cc1-c1cc(-c3cnn(C4CCNCC4)c3)nc(c1)N1CCC(C1)C(C)C(C)CCN=C(O)N2"]
["98743482","Cc1cc(O)ccc1N=C1C(COOC2C(C(C)(C)C)CC(C)CC2C(C)(C)C)=C(C#N)c2nc(C(C)(C)C)nn21"]
["199256093","CCOC(=O)/C(F)=C/[C@H](C[C@@H]1CCN=C1O)N=C(O)OC(C)(C)C"]
["62905890","CN=C(O)CN(C)C(=O)CONC1=N[C@@H](c2ccc(F)cc2-c2cccc(OC)n2)Cc2nc(=N)[nH]c(C)c21"]
["195567786","CCc1cccc(C)c1C1=NCC2=C(c3ccc(C)cc31)C(CC)C=C(Nc1ccc(C(=O)O)cc1)C=C2"]
["173353769","C=C/C=C(F)\\C=C(/C)CN(Cc1cc(Oc2c(C)cc(N=C(O)C(=O)OCC)cc2C)ccc1O)CC1CCCCC1"]
["77423200","COCCn1nnnc1CN(Cc1ccc(F)cc1)CC1CC2C(C)CC(C)CC2N=C1O"]
["191254002","C=Cc1ccc(C(C)(C)C([CH2+])c2ccc(C([CH2+])(C)C)cc2)cc1.C=Cc1ccc(C(C)(C)C(c2ccc(C(C)(C)C([CH2+])c3ccc(C([CH2+])(C)C)cc3)cc2)C(c2ccc(C(C)(C)C([CH2+])c3ccc(C([CH2+])(C)C)cc3)cc2)C([CH2+])c2ccc(C([CH2+])(C)C)cc2)cc1"]
["157840196","C=Cc1ccc(C(=O)/C=C/C)cc1"]
["74217265","C=Cc1ccc(N(CC)CCC)cc1"]
["55311424","CCC(C)(C)c1ccc(C(O)C(F)(F)C(F)(F)F)cc1"]
["174574971","C=Cc1ccc(C(C)NC(=C)C(=C)/C=C(\\C)C(C)(C)NCc2cccc(CNC3=C(N)C(=O)C3=C)c2)cc1"]
["23084272","CC(C)(C#N)C(O)c1ccccc1C(O)C(C)(C)C#N"]
["62411341","C=Cc1ccc(C(=O)CC=O)cc1"]
["190522893","C=Cc1ccccc1.C=Cc1ccccc1.I"]
["101313387","C=Cc1ccc(SC)c(OC)c1"]
["175631858","C=N/C=N\\C(OCc1ccc(C(C)(C)C)cc1)=C(/C)OC"]
["149477949","COc1ccc(/C=N\\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1OC"]
["59806446","N#CC(C#N)c1ccc(C(C#N)(C#N)c2c[nH]c3ccccc23)cc1"]
["97470523","C[C@H]([N-]CCC[N-]CCC[N-][C@@H](C)c1c[cH+][cH+][cH+][cH+]1)C1=C[CH+][CH+]C=C1"]
["97349270","N#C[C@@H](CC1=C[CH+][CH+]C=C1)[N-]Cc1ccccc1"]
["84907594","CCC(C)N1CCN(c2nc(C(C)C)c(CN)s2)CC1"]
["123707010","Cc1nc(-c2ccc(F)cc2)sc1C(C)NCCCCOC(C)C"]
["133107295","COc1ccc(C(C)NCCCCOC(C)C)cc1N=C(C)O"]
["101032343","[Se-][PH2-]1(C2=C[CH+][CH+]C=C2)OCCCO[PH2-]([Se-])(c2ccccc2)[Se+]=[Se+]1"]
["97081043","C[O+]=C1C=CC(C[N-]CC2C=CC=C2)=C[CH+]1"]
["99223501","CCCCCCCCCCCCCCCC([As-])CCC1=C[CH+][CH+]C=C1.[OH-]"]
["97901985","CCP(CC)[C@@H](C)C1=C(C2=C([C@H](C)P(CC)CC)C=CC2)CC=C1"]
["174710182","CC.COC(O)C1=C[CH+][C+](C[N-]C(=[OH+])C(C[As-])C[As-])C=C1"]
["170743459","COCc1nc(C(C)C)c2sc(SC)nc2n1"]
["185228220","COC1(C)C=CC(C(C)C)=CC1"]
["192655093","[SiH3]O[Si]1(CCC2CCC3OC3C2)O[Si]2(CCC3CCC4OC4C3)O[Si]3(CCC4CCC5OC5C4)O[SiH](CCC4CCC5OC5C4)O[Si]4(CCC5CCC6OC6C5)O[Si](CCC5CCC6OC6C5)(O1)O[Si](CCC1CCC5OC5C1)(O2)O[Si](CCC1CCC2OC2C1)(O3)O4"]
["68763671","C=C(C)COOCC1CCC2OC2C1"]
["74408420","CC(CCC1OC1C)COC(=O)CC(C)(C)CC(C)COC(=O)C1CCC2OC2C1"]
["173117266","C1CCC(C2CCCC(C3CCC4OC4C3)CC2)CC1"]
["73869320","C=C[CH]C1CCC2OC2C1"]
["195292953","CCCC(O)C(CC)CO.O=C(OCCOCCOC(=O)C1CCC2OC2C1)C1CCC2OC2C1"]
["174910495","C=C(C)C(=O)OCCCC[SiH](OC)OC.CO[Si](CCC1CCC2OC2C1)(OC)OC.O=[SiH2]"]
["179292437","C=CC(=O)OCCCCCC(=O)OC1CCC(CC[Si](OC)(OC)O[Si](CCC2CCC(OC(=O)/C=C/c3ccc(C4CCCCC4)cc3)C(O)C2)(OC)O[Si](C)(CCC2CCC3OC3C2)OC)CC1O"]
["75286988","CCCC(CC(C)O)C(=O)OCC1CCC2OC2C1"]
["60633542","CC(COC(=O)C1CCC2OC2C1)OCC(C)OCC(C)OC(=O)C1CCC2OC2C1"]
["185565611","CCCC=C(C)C(=O)OC1CCC2OC2C1"]
["75205082","COCC1COC(C2CCC3OC3C2)O1"]
["194445562","CC1N2C=CN1C1C3C4C5C6C7C8C9C5C2C9[C@@H]2C5[C@H]9[C@@H]2[C@@H]8C7C2C(C64)[N+]4(C=C[N+]3(C4C)[C@H]51)[C@H]29.CC1[N+]23C=C[N+]14C1C5C6C7C8C9C%10C6C6C1[C@@H]4[C@H]1C4[C@@H](C9C8N8C=CN(C(C2C75)[C@@H]43)C8C=NCCN)[C@H]1[C@@H]%106.CC1[N+]23C=C[N+]14C1C5C6C7C8C9C%10C6C6C1[C@@H]4[C@H]1C4[C@@H](C9C8N8C=CN(C(C2C75)[C@@H]43)C8C=O)[C@H]1[C@@H]%106"]
["60392328","Cc1nsc2c1CC1CC(=NCCN)C(F)=C3OC4=C(CCC(=O)C4=O)N2C31"]
["175265458","FCCCS.NCCN=CC1=C(N)C(C2(c3ccc(Cl)cc3)CCC2)NCC1"]
["99565034","CC(C)(C)OC(=O)N1CC/C(=C/N)C(=NCCN)C1C1(c2ccc(Cl)cc2)CCC1"]
["163229371","CN1C(=O)Cc2c1nc(=NCCN)[nH]c2Cl"]
["147586928","CC1CCN(c2nccc(=NCCN)[nH]2)CC1"]
["19963597","Cc1ccc(/C=C(/C#N)C(O)=NCCCN2C[C@H](C)O[C@@H](C)C2)cc1"]
["193401364","C.C=C1CCC2C3CCC4=C[C@@H](C=NOCCN)CC[C@]4(C)C3CC[C@]12C"]
["185005232","CN=C(C=C(N)C(F)(F)F)C(=O)N1CCOC[C@@H]1CNC(C=O)C1=CC=C(C(N)=NC(=O)C(F)(F)F)CC1"]
["66993253","CC1(C)C(=O)CC[C@](C)([C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]2(C)C=NCCN)[C@H]1C=O"]
["171821327","N#CCNC(C(O)=NCc1ccccc1C=O)=C1CCC1"]
["174540834","C=c1[nH]c2c(/c1=C/C(C)=C\\C)CCN(C=O)C2C1C=CC(OC)=CCC1.CC.CN(N)CCCl"]
["45768115","[CH+]=C1CC(O)=C(C23CC4(C5=CC(O)=C=C[C]5O)CC(c5cc([O-])c(C67CC8(C9=CC(O)=C=C[C+]9O)CC(C9=CC(O)=C=CC9O)(C6)CC(c6cc(O)ccc6O)(C8)C7)cc5[O-])(C2)CC(c2cc(O)ccc2O)(C4)C3)C=C1O"]
["9718934","C#C[C@@]1(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@H]2[C@@H]3CCc4cc([O-])ccc4[C@H]3CC[C@@]21C"]
["178307628","C[C@]12CCC3C(=C(O)Cc4cc(O)ccc43)C1CC[C@@H]2O"]
["154228688","CC1(C)C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@@H](O)C1"]
["97066810","CO/N=C1\\C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O"]
["63406631","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O)C2=O"]
["80042600","CO[N+]1(CC2CC2)CCC23CC(=O)CCC2C1Cc1ccc(O)cc13"]
["197541327","CC1(C)CC1(N)c1cc(O)ccc1O"]
["63751441","CC12CCC3c4ccc(O)cc4CCC3C1CC(O[C@H]1OC(C(=O)O)[C@H](O)C(O)C1O)C2=O"]
["96824050","CC1(C)C[C@H]2[C@H]1CC[C@]1(C)CCC[C@@]2(c2ccc(O)cc2O)C1"]
["171455754","O=C(C1(c2cc(O)ccc2O)CCCCC1)C1(c2cc(O)ccc2O)CCCCC1"]
["153349297","CC1(C)C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H](O)C1"]
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["163670597","C1CCOC1.CCO.[HH]"]
["175412375","C1CCOC1.C[SiH](Cl)Cl"]
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["93069335","CC(C)n1ncc(Cl)c1C(=O)C1CCCCO1"]
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["79039958","B.C1CCOC1.CSC"]
["79811833","Clc1ccccc1C[SiH]1CCCCO1"]
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["184568251","CN1C#CCC=S=C1"]
["184246386","Cn1ccc(C(=O)CC(=O)C2=CN=CCC#C2)c1"]
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["MCULE-6379810927","CN1C2CCC(C#N)CC1CC2"]
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["100858936","[O-]C=C/C=C/CC/C=C/CCCC[N+]1=CC=C[C@]2(CC/C=C\\CCCCCCNC2)C1"]
["1104509","CCCCCC=CC=CCCC=CCC=CCCCC(=O)O"]
["163961416","C=CC1(OC)C/C=C/CCCCC1"]
["94448532","Cc1nccc(=NCC2(C)CCCNC2)[nH]1"]
["185043071","CCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCCC)C=CC=[N+](CCCCCCCCCCCCCCC)C1"]
["33812328","O=S(=O)(/C1=C/N(Cc2ccccc2)CCCCCCC/C=C/C1)c1ccc(Cl)cc1"]
["106190823","C[C@@]1(C(O)=NCCCOC2CCCCC2)CCNC1"]
["79018288","OC1CCCCCCCCCC/C=C\\CCCCCCCCCCC1"]
["84105677","CC1(CCCC=O)C=CCCC1"]
["175816445","CCCCC/C=C\\CC/C=C/C=C/CCCOC(=O)CCC/C=C/CCCCCCCCC"]
["193368561","CCCCC/C=C\\CC/C=C/C=C\\C/C=C\\CCCC(=O)O.CO"]
["27672239","C1CCNCC1.CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O"]
["183557303","O=[N+]([O-])C1=CC([N+](=O)[O-])=C(c2c(-c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])C1"]
["87032398","Cn1c(C(=O)O)ccc1-c1cc([N+](=O)[O-])ccc1Br"]
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["84730986","O=C(O)C1C=CC(Nc2cc(F)c(I)cc2[N+](=O)[O-])C1"]
["26192299","[CH2]Sc1cccc([N+](=O)[O-])c1"]
["153867773","O=[N+]([O-])c1cccc(/C=N/c2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1"]
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["128430741","CCSc1ccc([N+](=O)[O-])cc1C(O)=NC1CC(C)(C)NC(C)(C)C1"]
["187920205","O=[N+]([O-])c1ccccc1N1CC2(CN(c3ccc(Cl)cc3F)C2)C1"]
["100003553","COCC(C)(O)CN=C(O)/C=C/c1ccc([N+](=O)[O-])cc1"]
["13599035","C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C1"]
["14496423","CSc1ncccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2"]
["174075346","[B+]=C1C(=[B+])C(=C2C(=[B+])C(=c3c(=[B+])c(=[B+])c(=[B+])c(=c4c(=[B+])c([S-])c5c6c4[c-](C)[c-](C)c4c-6[c-]([c-](C)c5=[B+])[c-](C)[c-](C)[c-]4C)c3=[B+])[C-]([S-])C([c-]3[cH-]c4c([c-](C)[c-]3C)C(=[B+])[C-]([S-])C(=[B+])C4=[B+])C2C)C(=[B+])C(c2c(=[B+])c(=[B+])c3c4c2c(=[B+])[c-](C)[c-]2c-4c(c(=[B+])c(=[B+])c2=[B+])[c-](C)[c-]3C)C1=[B+]"]
["170929437","COc1ncc(-c2ccnc(N3CCc4c(sc5c4CCCC5)C3=O)c2[C@H](C)O)cc1Nc1ccc(N2CCN(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(O)=NC4=O)C5=O)[C@@H](C)C3)C[C@@H]2C)cn1"]
["170929482","COc1ncc(-c2ccnc(N3CCc4c(sc5c4CCCC5)C3=O)c2[C@H](C)O)cc1Nc1ccc(N2CCN(C3CCN(c4ccc5c(c4)C(=O)N([C@H]4CCC(O)=NC4=O)C5=O)[C@@H](C)C3)C[C@@H]2C)cn1"]
["170929604","[2H]C([2H])([2H])Oc1ncc(-c2ccnc(N3CCc4c(sc5c4CCCC5)C3=O)c2[C@@H](C)O)cc1Nc1ccc(N2CCN(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(O)=NC4=O)C5=O)[C@H](C)C3)C[C@@H]2C)cn1"]
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["174080586","[B+]=C1c2c(oc3c2C(C2CC2)=C(CCC)C(c2c(C)c(C)c(=[B+])c(=[B+])c2[O-])C3c2c3c(c(=c4c(=[B+])c(C)c(C5CC5)c(=[B+])c4=[B+])[c-]4c2c(C2CC2)[c-](C)[c-](C)[c-]4C)=C(C)C(C)[C-](C)C3=[B+])C(C)=C(C)[C-]1O"]
["174147441","[B+]=C1C(=[B+])C(=[B+])C(C)C(=c2c(=[B+])c(=[B+])c(=[B+])c3c2c2c(n3[C-]3C=c4c(c5ccccc5c5ccccc45)=CC3=[C-][N-][C-]([N-][C-]([NH-])C3=[C-]CCC=[C-]3)c3ccccc3)C(=[B+])C([C-]=C)C(=[B+])C2=[B+])C1=[B+]"]
["174119484","[B+]C([B+])([O-])[c-]1[n-]c2c[cH-][cH-]cc-2n1C1=c2c(cc(=[B+])c(=[B+])c2=[B+])C(c2cc3c[cH-][cH-]cc3c3c[cH-][cH-]cc23)=C2C(=[B+])C(=[B+])C(=[B+])C(=[B+])C21"]
["170929166","COc1ncc(-c2ccnc(N3CCc4c(sc5c4CCCC5)C3=O)c2[C@@H](C)O)cc1Nc1ccc(N2CCN(C3CCN(c4ccc5c(c4)C(=O)N([C@H]4CCC(O)=NC4=O)C5=O)[C@@H](C)C3)C[C@@H]2C)cn1"]
["174206616","COc1ncc(-c2ccnc(N3CCc4c(sc5c4CCCC5)C3=O)c2C(C)O)cc1Nc1ccc(N2CCN(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(O)=NC4=O)C5=O)[C@@H](C)C3)C[C@@H]2C)cn1"]
["170929663","[2H]C([2H])([2H])Oc1ncc(-c2ccnc(N3CCc4c(sc5c4CCCC5)C3=O)c2[C@H](C)O)cc1Nc1ccc(N2CCN(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(O)=NC4=O)C5=O)[C@H](C)C3)C[C@@H]2C)cn1"]
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["178344826","Cc1c2c(c(N)c3c1SC(CCO)(CCO)S3)SC(CCO)(CCO)S2"]
["92624571","Cc1nn(CC(=O)N2CCSC(C)(C)C2)c(C)c1N"]
["53964301","Cc1cc(=Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)[nH]o1"]
["174086684","[B]C12C=C(C=c3c(N)c(C(=O)OC)sc3=C1)N2"]
["162761459","Cc1scc(CN=c2[nH]c(Br)cs2)c1C"]
["120277623","Cc1c(N)nc(C(C)C)[nH]c1=NCC1(C)CCC1"]
["26903656","Cc1c(N)ccc2c1NC(C)(C)CC2"]
["174443134","Cc1cc(C2(N)C=CC(N)=CC2)c(C)c(C)c1C"]
["183781099","CCCSc1c(N)cc(C)c(C)c1N"]
["174474278","Cc1c(C)c2c(c(C)c1O)C(N)CC1(CCC1)S2"]
["181335562","[N-]=[N+]=Nc1ccc(N)c(N)c1S"]
["173819203","[B]C1([B+])C([B+])([B+])N2C([B+])([B+])C([B+])([B+])C1([B])[C@]([B+])(OC(O)=NC(C)(C)[c-]1[cH-]s[c-]([C-]3[CH-][CH-][C-](F)[CH-][CH-]3)[n-]1)C2([B+])[B+]"]
["137848460","COCCC1(C(O)=NC(C)CC(C)(C)OC)CC1"]
["193471106","CC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1.CC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1"]
["MCULE-9261718867","COc1ccc2c(c1)C(c1ccccc1)N(C(=O)C(C)(C)N=C(O)c1c(Cl)ccc(Cl)c1Cl)CC2"]
["172091402","C[C@H](N=C(O)OC(C)(C)C)c1nc2cccc(CCCN3CCCC3)c2c(=O)n1-c1cc(F)cc(F)c1"]
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["170852396","COCc1cc2cc(CO)cc(-c3cccc(CN=C(O)OC(C)(C)C)c3F)c2o1"]
["171841338","C[C@H](O)c1ccc(C2(OC(O)=NC(C)(C)C)CC2)cc1Cl"]
["166675147","CC(C)(C)OC(Cc1ccc2c(c1)OC(F)(F)O2)(C(=O)O)C(=O)O"]
["173400483","CC[C@@]1(OC(=O)CCN=C(O)OC(C)(C)C)C(=O)OCC2=C([O])N3CC4=C([Si](C)(C)C)c5cc(N=C(O)OC(C)(C)C)ccc5[N-]C4=C3C=C21"]
["175632390","[B]C1(C([B+])([B+])C2=C=C(F)[C-](Cl)[N-]C2)[C-]([O-])N(c2cc(-[c-]3cc[n-][cH-][cH-]3)[nH]n2)C([B+])([B+])C([B+])([B+])C1([B+])[B+]"]
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["110881652","[BH-]1=CCCC[BH2-]CC1"]
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["110920542","CC(C)(C)C1([N])C=C2CCCCC2=C1"]
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["100914346","[BH-]1=CCC[BH2-][CH+]CC1"]
["33234572","CC1(C)CC2=CCCC3=CSC(C1)C32"]
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["110881654","[BH-]1=CCC[BH2-]CCC1"]
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["100178015","C1=COC2(CC1)CCCC2"]
["76179628","[CH]1CCCSSS1"]
["192256767","N=C(O)CC1=C(C2=CCCC2)CCC1.O=C(Cl)CC1=C(C2=CCCC2)CCC1"]
["179187784","C1#CC([I+]C2[C-]=[C-]CC2)CC1"]
["79229655","CCC1C#CCCC1"]
["179901991","C1#C[C@H]2CC3=C2C[N+]32COC2CC1"]
["184589212","CO[C@H]1C#CCCC1"]
["177680872","CCCC(=O)CCC1C2CCC#CCCC21"]
["112237406","Clc1cc(CNCCC2CCOC2)cc2c1OCCO2"]
["181553662","[N-]=[N+]=NS(=O)(=O)C1C#CCCC1"]
["79097128","CCC(C)C1C#CCC1"]
["179642149","COC1CC=C1C(C)C1C#CCC1"]
["97098428","CO[C@H]1[C]=[O+]CC[C@@H]1OC"]
["173050287","C1#CCC2CCCC[C@@H]2CC1"]
["179524681","CC1CCC#C[C@H]1I"]
["196657529","Fc1ccc(O/C(=C2/N=C(C3CCCCC3)C(Cl)=C2Cl)c2cc(Cl)c(C3CCCCC3)[n-]2)c(F)c1.Fc1ccc(O/C(=C2\\C=C(Cl)C(C3CCCCC3)=N2)c2[n-]c(C3CCCCC3)c(Cl)c2Cl)c(F)c1.[Co+2]"]
["27494042","O=C(CCO)N1CNc2ccc(Cn3ccc(OCc4ccc(F)cc4F)c(Cl)c3=O)cc21"]
["143360296","O=C(NCCOc1ccc(F)cc1F)c1ccn(-c2cccc(F)c2)n1"]
["MCULE-9083341144","CCOc1ccc(-c2c(C3CCCC3)nn3c(=N)[nH]cnc23)cc1F"]
["123472809","N#Cc1cc(S(=O)(=O)NCC(O)C2CCCCC2)ccc1F"]
["MCULE-1460521282","CCOC(=O)c1c(C2CCCC2)nn2c(N)cc(-c3ccc(Cl)c(CC)c3)nc12"]
["90937140","Fc1ccc(C2(C3(n4cncn4)CC3)CO2)c(F)c1"]
["MCULE-8343084868","CCOc1cccc(-c2ccc3nc(N=C(O)c4ccc(F)cc4F)sc3c2)c1F"]
["MCULE-4244917403","COc1ccc(C(C2CC2)n2nc(C3CCC3)c(CO)c2Cl)cc1F"]
["158037253","N#CCC1(Br)N=C2C(c3ccc(F)cc3Cl)=CC(F)=CN2N1"]
["119444266","CC(C)Sc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1"]
["60413340","O=C(O)c1ccc(F)cc1-n1nnnc1C1CCCCC1"]
["53144236","[C-]1=C[N-]CC=C1.[Ca+2]"]
["182877431","C1=CC[N-]C=C1.[Mo]"]
["73496069","O=CC1=C(Cl)CC=CC1"]
["73616693","[CH2+]C1=[C-]C=CCC1=O"]
["101099803","C1=CCP2CC=CCP2C1"]
["79952183","C1=CC[TeH2]C1"]
["184104008","ClC1=C=NC=CC1"]
["191204023","C1=CNCNC1.[Cl-]"]
["46702334","C1=C[N-]C=CC1.C1=C[N-]C=CC1.[Mg+2]"]
["78269150","[C-]1=C[CH-]CC=C1.[Li+].[Li+]"]
["55194914","OCC1=NCC=C1"]
["173108652","[C-]1=NCCC=C1.[Co]"]
["192843600","C[C-]1[C-]2C(=NN1C)NN(C(C)(C)C)C(I(I)I)(I(I)[I]I)C2(I(I)I(I)I)I(I)I(I)[I]I"]
["192791259","C[c-]1[c-]2[c-]([c-](C)n1C)C(I(I)I(I)I)(I(I)I(I)[I+]I)C(I(I)I)(I(I)[I+]I)N(C(C)C)N2"]
["197394784","CC1(C)C(N)C1c1nnn(C(C)(C)C)n1"]
["178992576","CI=P(C)=C1N[C-](C(C)(C)C)[C-](C)N(C)C1=P(C)=IC"]
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["CSSS20621713809","CC(C)(c1ccc(Cl)cc1)c1cn(C[C@H]2C[C@H]2CN)nn1"]
["192843598","C[c-]1[n-][c-]2[c-](n1C)C(I(I)I(I)I)(I(I)I(I)[I+]I)C(I(I)I)(I(I)[I+]I)NN2C(C)(C)C"]
["178266030","CC(C)(I)C1=NCNN1"]
["174982027","CC.[B+]=C1C(C)=NN(C)[C-]1C"]
["172541016","COc1ccccc1C1N=CSN1c1ccccc1OC"]
["89348932","CC(C)(C)c1n[nH]c2c1CNC2"]
["32104233","Cc1ccc2c(c1)N(C(C)(C)Cl)NC(C(F)(F)F)=N2"]
["178837137","O=S1(=O)C=C=IC=CN1"]
["58526245","NC1=CS(=O)(=O)Nc2cccc(C(O)C(=O)O)c21"]
["66773251","O=S1(=O)C=CNC=C1"]
["157902657","C[C@H]1CN(CC2CNC2)S(=O)(=O)C1"]
["175736542","C1=COCO1.O=S1(=O)C=CNC1"]
["102080923","CC1(C)NS(=O)(=O)C=C1N"]
["27101134","O=S1(=O)C=CNN1"]
["44928101","Cl.NS(=O)(=O)C1=CC=CNS1(=O)=O.O"]
["120573054","O=S1(=O)CC2(CC2)CNc2ccccc21"]
["171977114","Cc1ccc(/C=N/OC2=CS(=O)(=O)NC=C2)cc1"]
["148813195","CC(C)c1nccc2c1C=CNS2(=O)=O"]
["74762604","O=S1(=O)NC=CO1"]
["62209086","C=Nc1ccc(C2(c3ccc(N=C)cc3)[B]C2(c2ccc(N=C)cc2)c2ccc(N=C)cc2)cc1"]
["197458076","CC(O)=Nc1ccc(C2(C)CC(F)(F)C2(F)F)cc1"]
["181594901","[N-]=[N+]=Nc1ccc2c(c1)CCC(CC(=O)O)CC2"]
["21853302","OC(=Nc1ccc(N2CCCC2)[nH+]c1)C1(c2ccc(F)cc2)CCOCC1"]
["MCULE-7321459996","CC(O)=NCC1C(c2ccc(N=C(C)O)cc2)C1(F)F"]
["195845539","C=NC(C)(C)C(O)=Nc1cc(N=C(O)C(C)(C)C)cc(N=C(O)C(C)(C)C)c1"]
["175737486","C=Nc1nc(-c2ccc(C3(CO)CC3)cc2)c(Cl)cc1NCO"]
["55815767","C=CCC1(c2ccc(C3(CC=C)CC=CC3)cc2)CC=CC1"]
["182364381","COC(=O)C1(c2ccc(N=[N+]=[N-])cc2)CCCC1"]
["131375712","Cc1ccc(N=C(O)C2C(C)(C)C2(C)C)cc1C(=N)O"]
["53554929","C=Nc1ccccc1/C(O)=C\\CC(=O)O"]
["108168084","CC=Nc1ccc2c(c1)N=NC2"]
["91314715","C1=[S+]C=c2ccc3c4c(ccc=1c24)=CSC=3"]
["114048691","CC(C)(C)CC(Cl)CNCc1ccc(Cl)s1"]
["97388469","C1=C=c2[cH-][cH-]c3ccc=1c2=3"]
["173246223","Nc1ccc2c(c1)=C[N-]C=C=2.[Np]"]
["49574498","C1=CSC=c2ccccc2=C1"]
["64410207","C1=c2ccc3c4c(ccc(c24)=CN1)=CNC=3"]
["198023668","Cc1ccc(-n2c(C)c(C)c3c(N=C(O)c4cnsc4C)ncnc32)cc1"]
["79032475","C1=CC=Cc2c/c(=c3\\ccc4c(c3)C=CC=C=4)ccc2=1"]
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["112140207","COCC(O)CCNCc1c(Cl)ccc(Cl)c1Cl"]
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["81891897","CCOCCOCC(O)COCCOCCOC"]
["108909297","OC[C@H](O)COCCC(F)(F)C(F)(F)Br"]
["113881520","CNCc1cc(Br)ccc1OCC(O)COCCOC"]
["79072801","C1[C+]2CC3CC1CC(C3)C2C1[C-]2CC3CC(C2)CC1C3"]
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["97121203","C=[Si-]([CH2-])(C1[C+]=Cc2ccccc21)C1[C-]=Cc2ccccc21.[Li+].[Li+]"]
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["29616424","Fc1ccc(CN2CCC3(CC2)OC(c2ccccn2)c2ccccc23)nc1"]
["195305562","CC(=N)c1ccccc1C1CC1(F)F"]
["69800896","O=C1CC2CC(=NO)CC(C1)c1ccccc12"]
["24151209","N#CC1(Cl)CC2c3ccccc3C1c1ccccc12"]
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["76098649","C1=CC(=C2C=CC#S2)C=S=1"]
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["74061049","C1=CC(=C2C=C=NC=C2)C=CN=1"]
["165800352","NCCC1=CNS/C1=C1/C=CN=C1"]
["179014042","CC(C)=C(C)C1=C[N-]C#S1.[Re]"]
["25883495","CNC1=CCN(NC)C=C1"]
["81834584","FC1=C2C=C=S=C2S#C1"]
["101142934","NC#CC#CC#CC=C=C=C=C=C=[C+]N"]
["164329219","C#CC#CC=C=CCCCO"]
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["78125926","NC#CC#CN"]
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["100950202","C#CC#CC=C=CCCCCO"]
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["164298675","CC1=C(Br)C(=[Br+])C(=[OH+])C(N=[N-])=C1Br"]
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["95416681","C=CCCN=C(O)/C=C/c1ccc(C)cc1Br"]
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["150400088","CNC(=NN)c1cc(C)c(Br)c(C)c1"]
["182026601","Cc1nc(Br)cc(Br)c1N=[N+]=[N-]"]
["182608426","Cn1nc(N=[N+]=[N-])cc1Br"]
["174482076","CC.CC/C=C\\C=C1\\C=NN=CC1=NC"]
["182168670","Cc1nccc(N=[N+]=[N-])c1Br"]
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["181847172","CC(C)(C)Oc1cc(CN=[N+]=[N-])ccc1OCCOS(C)(=O)=O"]
["183153457","[N-]=[N+]=NCc1ccn2ncc(CO)c2c1"]
["74682412","[N-]=[N+]=NCc1ccc2ncsc2c1"]
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["192665513","[B]CC(=O)N(CC[NH2+]C)CC([O-])[NH2+]CC[N+](C)(C[C+]([O-])[N-]CC[N+](C)(CC(C)=O)C([O-])C[B+])C(=O)C[B+]"]
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["MCULE-1941032773","OC(=N[C@@H]1C=C[C@H](C(O)=NCCCCl)C1)OCC1c2ccccc2-c2ccccc21"]
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["167400290","Brc1ccc(-c2c[se]c(N/N=C\\c3ccccc3)n2)cc1"]
["181119844","[N-]=[N+]=Nc1cccc(-c2ccc3cccc(OOCc4ccccc4)c3n2)c1[N+](=O)[O-]"]
["165283495","FC(F)(F)c1nc(-c2ccccc2)ccc1S"]
["176645722","COCCc1c(N=C(O)OCc2ccccc2)cnn1CC(F)F"]
["22793672","CC1=CC2=NC(=N)c3ccccc3CN2C=C1"]
["180979498","NCc1ccccc1-c1nc(N=c2cc[nH]cc2)c2ccccc2n1"]
["97966397","OC1=Nc2cc(Cl)c(-c3ccc(-c4ccccc4O)cc3)nc2C1"]
["99184639","CN1CCCC1CCOC(O)=Nc1ccccc1-c1ccccc1O"]
["181090310","[N-]=[N+]=NC=c1oc(=C2CCO2)c(=c2[nH]c(=C3CC3)c(=C3CCC3)c2=C2CCCC2)c1=C1NNC(=C2CCCCC2)C1=C1CCN1"]
["51766720","CCOC(=O)C1=C(N)NC(=C2CCCCC2)C1=O"]
["182617917","[N-]=[N+]=NC1CCNC2=C1OCC2"]
["181631892","ClNNC1=CC=CNC1=C1CCCCC1"]
["163947709","C1=C2OC2C2=C(C1)NCC2"]
["183862841","CC1(C)COC2(CCC(=CN=[N+]=[N-])CC2)OC1"]
["181772781","[N-]=[N+]=Nc1ccnc2c1NCCO2"]
["182064139","[N-]=[N+]=Nc1cc2c(s1)CCN2"]
["183185681","COc1c(N=[N+]=[N-])cc2c(c1OC)C1=C(CCC2)CC(C2=NCCN2)C1=NN"]
["181184103","[N-]=[N+]=NC12CC3CC(CC(C3)C1=C1CCCCC1)C2"]
["75907216","[N-]=[N+]=C1C2=C(CCc3ccccc32)CCC1C(=O)c1cc(Cl)cc(Cl)c1"]
["176309772","N#CCC1=CC=CNC1=C1CCCCC1"]
["32941404","[2H]OC(=NC([2H])([2H])[2H])c1c([2H])c([2H])c([2H])c([2H])c1Sc1c([2H])c([2H])c2c(/C([2H])=C(\\[2H])c3nc([2H])c([2H])c([2H])c3[2H])n([2H])nc2c1[2H]"]
["166382930","COc1ccc(N=C(O)c2ccccc2Sc2ccc3c(/C=C/c4ccccn4)[nH]nc3c2)cc1Cl"]
["166379780","OC[C@H](N=C(O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)c1ccccc1"]
["63830634","CCc1c(C(O)=Nc2nc3ccc(N=C(C)O)cc3s2)cnn1-c1ccccn1"]
["33118821","[2H]OC(=NCCCN1CCC(C([3H])([3H])[3H])CC1)c1c(O[2H])c2c([2H])c([2H])c(F)c([2H])c2n(C([2H])([2H])C([2H])([2H])[2H])c1=O"]
["174452846","CC.CN=C(O)c1ccccc1Sc1ccc2c(C)[nH]nc2c1"]
["79238658","[2H]c1c([2H])c([2H])c(C([2H])(N=C(O)c2c([2H])c(C(F)(F)F)nc3c([2H])c([2H])c([2H])c([2H])c23)C(N(C)C)(C([2H])([2H])[2H])C([2H])([2H])O[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C(C)(C)C([2H])([2H])[2H])c([2H])c1[2H]"]
["175976098","[2H]C([2H])([2H])N=C(O)c1c[nH]ccc1=Nc1cccc2c1N(C)C(F)(F)c1cn(C([2H])([2H])[2H])nc1-2"]
["166386889","COc1ccccc1CCN=C(O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1"]
["166382269","C[C@H](N=C(O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)c1ccc2ccccc2c1"]
["MCULE-8284261179","Cc1n[nH]c(C)c1-c1cnc(C(O)=NOC2CCCCO2)cn1"]
["169614624","CC(C)c1nc(C(C)CCC(C)c2nc(C(C)C)c3c[nH]nc3n2)c2n[nH]cc2n1"]
["42285877","[3H]C#CC1=CC(=[N+]([O-])[O-])C(C#CSC[3H])=CC1=N.[Ac]"]
["159259711","N#Cc1c(I)ccc(OC(F)F)c1[N+](=O)[O-]"]
["169026863","C#Cc1cc(C2N=C(S)N=C(O)C2C#N)cc(F)c1OC"]
["19459907","CC(C)Oc1ccc([C@H]2[C@@H]3CN(C)CC=C3[C@H](C#[NH+])C(=N)C2(C#N)C#[NH+])cc1"]
["176299182","[B+]=C1C=C(C=C)C(C=C)=CC1=[N+]([O-])[O-]"]
["159261424","Cc1c(OC(F)F)cc(CC#N)cc1[N+](=O)[O-]"]
["192670162","C#CC1=CC(C)=C(c2ccccc2)N(OC(F)F)C1=C"]
["58673423","[3H]CSC#CCCC"]
["175960617","[B+]=C1C=C(O)C(=[N+]([O-])[O-])C=C1C"]
["159238444","CCOc1cc([N+](=O)[O-])c(C#N)cc1C(=O)Cl"]
["182121801","CCOC1=CC(=[N+]([O-])[O-])SC1=C=[P+]=O"]
["77241667","CC(Oc1ccc(C#N)cc1)C(O)=NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1"]
["97848232","CC1(C)[N-][C+]([O-])N(C2=C([O-])C=CC(=[N+]3[C+]([O-])[N-]C(C)(C)C3(C)C)[CH+]2)C1(C)C"]
["32583854","COc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2O)cc1OC"]
["184244298","CC12C3=CC1C#CC2C3"]
["97652043","CCN1C=CC(=C2N([O-])C(C)(C)C(C)(C)[N+]2=O)C=C1"]
["198011548","Cn1cc(C(=O)OCCC2=CC[C@H]3C[C@@H]2C3(C)C)c2c(c1=O)CCCC2"]
["167269935","CC1(C)N([O-])C(c2cc3cc(C4=[N+]([O-])C(C)(C)C(C)(C)[N+]4=O)sc3s2)=[N+]([O-])C1(C)C"]
["96568461","Cc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O-])cc1"]
["97268038","CC1=[N+]([O-])C(C)(C)C(C)(C)N1[O-]"]
["167270085","CC1(C)N([O-])C(CCC2=[N+]([O-])C(C)(C)C(C)(C)[N+]2=O)=[N+]([O-])C1(C)C"]
["96934186","CC1(C)N([O-])C(=C2C=CC(=[OH+])C(N([O-])O)=C2)[N+](=O)C1(C)C"]
["97703019","CC1(C)N([O-])C(c2ccccc2-c2ccccc2C2=[N+]([O-])C(C)(C)C(C)(C)N2[O-])=[N+]([O-])C1(C)C"]
["174149704","[B+]=C1[N-][C+]([O-])N(C)C(O)[N-]1"]
["169927293","NC1OC(N)C2CC(C(O)OOC(O)C3CC4CC(C(O)O)NC5C(N)OC(N)C(N3)C45)CC3CC(C(O)O)CC1C32"]
["178230265","C=CC(O)OC1C(C)C(O)C2CC3CC1C32"]
["75818953","NC1CCC(C2CC[C@@H]3CC(OCC(O)CF)=CC[C@@H]3N2)=CN1"]
["178657244","C=C(C)C(=O)OCC1CC2CC1C1C3CCC(C3COC(=O)C(=C)C)C21"]
["164423204","NC1OC(COC(C(=O)O)C(=O)O)CC1F"]
["90932295","CC(C)OC1CC2CC1C1CCC(C=O)C21"]
["150118115","CCOc1nc(=N)[nH]c2c1ncn2C1OC(CO[P+](=O)NC(C)C(=O)OC(C)C)CC1C"]
["195445099","OC1OC2CC3CC1C2N3"]
["75443640","C=CCOC1(C(=O)O)CC(O)C(N)C([C@@H](O)[C@H](O)CN=C(O)Cc2ccc(-c3ccccc3)cc2)O1"]
["79997818","COc1nc(=N)[nH]c2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@]12CCO2"]
["26785818","O=C(OCC1CC(C(O)O)C1)c1ccccc1"]
["64836633","CC1C(C)C2CC1C(C(O)O)C2C(O)OC(C)(C)C"]
["176375743","C=C[SiH](C=C)S[Si](C=C)(C=C)O[Si](C=C)(C=C)O[Si](C=C)(C=C)O[Si](O)(C=C)C=C"]
["175229748","C=C[Si](C=C)(O[Si](C=C)(C=C)O[Si](C=C)(C=C)C1CCCCC1)O[Si](O[Si](O[SiH](c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1"]
["174437246","C=C[SiH3].C[Si](C)(C)O"]
["158807304","C=C[Si](C=C)(O[SiH3])O[Si](C=C)(C=C)O[SiH3].[Pt]"]
["43144524","C=C[Si](C)(C)O[Si](C)(C)[Si](C)(C)C=C"]
["78931521","C=C[Si](O)(O)O[SiH3]"]
["45390636","C=CC(=O)OC1C2OS(=O)(=O)C3CC1(CO)CC23CO"]
["171705148","C=C[O+]([Si](C)(C)C)[Si](O)(C=C)O[Si](C)(C)[O+]=[Si-]C"]
["189971540","C=C[Si](OC)(OC)O[Si](C=C)(OC)OC(O)[Si]"]
["54960146","C=C[Si](C=C)(O[Si](CC)(CC)CC)O[Si](C=C)(C=C)O[Si](C=C)(C=C)O[Si](CC)(CC)CC"]
["172411950","C=COC(O)(OC=C)C(OC=C)(OC=C)C(OC=C)(OC=C)C(OC=C)(OC=C)C(OC=C)(OC=C)C(OC=C)(OC=C)C(OC=C)(OC=C)C(OC=C)(OC=C)OC=C"]
["175078332","C=C[Si](C=C)(C=C)O[Si](C=C)(C=C)O[Si](C)(C)O[Si](C)(C)O[SiH2]C"]
["179910366","CC(C)(O)C#CC1CCCC(C2C=CC(C(C3=CC=C(Br)CC3)(C3=CC=C(C4CCC=C(C(C)(C)O)C4)CC3)C3CCC(C#CC4CCCC(C(C)(C)O)C4)CC3)CC2)C1"]
["7613706","C[C@@H](N=C(O)CN(CCC1=CCCCC1)CC(O)=[NH+][C@H](C)C1CC1)C1CC1"]
["131972085","CC(C)C(C)(O)CN1CCC(OCC2CCCCO2)CC1"]
["75754741","CSc1ccc(C2CC3CC(=O)C4=C(C3(C)CO2)C(O)(C(F)(F)C(F)(F)F)CCC2CCC=C42)cc1"]
["170039720","CC(C)(C)C1C=CC(N(C2=CC(N3C4CC=C(C5CCCCC5)CC4C4(CCCCC4)C3(C)C)CC(N(C3C=CC(C(C)(C)C)CC3)C3CCC(C(C)(C)C)CC3)C2)C2CCCC3=C2OC2C=CCCC32)CC1"]
["130346641","Cc1cc(C)c(N=C(O)CCC2CCCCO2)cc1Br"]
["28270047","CNN1C(O)=NC(C2=CC=C(C(F)(F)F)CC2)C1C(C)C1=CCC(F)CC1F"]
["179242100","C/C(CCC(O)P)=C(/O)C1C=CC(CI(C)C2[B]C=C(C3C=CCC(Cl)C3)C2)=CC1"]
["82445179","COC=CC1=C(C2CC3CC=CC4C5=C(CCCC5)C(C2)C34)CCC(Cl)C1"]
["179521830","CN1C=CC([C@H]2CC[NH2+]C[C@]23C(O)C3N(CC2=CC(CCCO)CC(Br)C2)C2=CC2)CC1O"]
["198357163","Cc1[nH]nc2c1C(c1cc(C#CC3CC(C(C)(C)O)C3)cc(C(C)(C)O)c1)(C(C)C)C(C#N)=C(N)O2"]
["28046276","CC(O)=NC(C(=O)O)(C(C#CC1CC1)CCc1ccncc1)N1CCCCC1=O"]
["42867808","CC[O+]=C1C(C)=c2[o+]c3c(C)c4[o+]c5c(C)c(CC)c(CC)[o+]c5c(C)c4[o+]c3c(C)c2=[O+]/C1=C(\\C)CC"]
["199299084","C=c1occ(C)/c1=C(\\C)CC"]
["175568637","C=C1C(=C)N(C(C)=O)C/C1=C(/C)CC.CCC"]
["97459332","CCOC(=O)C1=C(C)N=C(O)NC1C=C(C)C"]
["21305678","CCC1=C(C)[C@@H](C(=O)O)N[C@@H]1CC1=NC(C)=C(C(C)=O)[C@@H]1C"]
["58626832","CCc1c(C)nc2sc(N(C)C)nn2c1=O"]
["61009792","CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(C(C)(C)C)cc1"]
["109642943","CCc1[nH]c(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c(C)c1C(=O)OC"]
["169811242","CC/C(C)=C1/SC([C@H](C)[C@@H](C)N)=C(C)C1=N"]
["168602961","CCc1c(C)[nH]c2c1C(=NO)CCC2"]
["51673187","CCC(C)=C1CC(C)(C)N=C1C"]
["151830681","CCOC(=O)C1=C(C)C(C(=O)CN2CCN(CC)CC2)=N[C@@H]1C"]
["179759474","CCC[N-]CN[C@H]([NH-])C[C@@H](C)N(C)C[C@@H]([I+]CC)[C@@H](C)C[IH+]"]
["177958227","CCC(CCC(C)NCCN(C)C)NC(C)C"]
["62915533","CCCC(C)N(C)CC(C)C(NCC)c1ccccc1"]
["62842428","CCCNC(CO)CCN(CC(C)C)C(C)C"]
["96190171","CCCC(CBr)CN(C)C(CC)CSC"]
["52401046","CCCC(C)CN(C)CC(C)Cl"]
["89488034","CCNC(C)Cc1cc2c(s1)CCCC2OC"]
["9831005","CCN(CC)[C@@H](C)C[NH2+]S(=O)(=O)N(C)[C@@H](C)C1CC1"]
["67238868","CCNCCC(C)N(C)C"]
["105674052","CCCNCc1ccoc1CN(C)[C@@H](C)CC(C)C"]
["81948519","CC(C)C(CNS(=O)(=O)C1=CC(Cl)C(=O)N=C1)N(C)C"]
["106061221","C[C@@H](CN[C@@H]1CCCSC1)N(C)C"]
["61144535","C1=C2Cc3cc4cc5c6c7c4c4c3C2=C2C3c8c9c%10c%11c%12c(cc%13cc(c-6c(c%13%11)C%10C7C46OC296)C5)CC2(OC2C13)c8%12"]
["167302035","c1c2c3c4c5c6c(cc7cc8c9c%10c(cc%11cc%12c%13c(c1C%12)c3c1c4c3c6c7c9c3c3c%10c%11c%13c13)C8)CC51OCCOC21"]
["171403269","CCC1(CC)c2cc(F)ccc2-c2c1c1c(c3cc(F)ccc23)OC(c2ccc(N3CCOCC3)cc2)(c2ccc3c(c2)C(C)(C)c2cc4ccccc4cc2-3)C=C1"]
["191807632","COC(O)CCCC1(c2ccccc2)C23c4c5c6c7c8c4C4C9=C8C=CC7C7C=C8Cc%10cc%11cc%12c%13c%14c(cc%15c(c%14c%14c2c-5c2c(c8c%10c5c%11c%13c%14c25)C67)C13C4C%15C=C9)C%12"]
["184495669","C1=C2Cc3cc4c5c6c3c2c2c3c7c8c9c(cc(c-5c9c36)CC4)CC8=CC34OC35C13OC23C745"]
["192803636","C=C(CC)CC.C=C1CC2c3cc4c5c6c(cc7cc8c9c%10c(cc%11cc%12c%13c(c%14c3c5c3c%14c5c%13c%11c%10c5c5c9c7c6c35)C2(C1)C%12)C8)C4"]
["180618223","c1c2c3c4c5c1Cc1cc6c7c(c1-5)C15OC41c1c-3c(cc3c1-c1c(c4c(c-7c15)C41OC61)C3)CC2"]
["96856231","COc1cccc2cc3c(c(O)c12)C(=O)[C@H]1C[C@@](O[Si](C)(C)C)([C@H](C)OC)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1C3"]
["51059543","C1=C2Cc3cc4cc5c6c7c(cc8cc9c%10c%11c%12c%13c%14c(c2c3c2c4c6c(c%142)c2c7c8c%10c%132)C%12C1C=C%11C9)C5"]
["75681775","CCCCOC(=O)CCCC1(c2ccccc2)C2C3C=C4Cc5cc6cc7c8c9c%10c%11c%12c%13c%14c(c%15c%12c%12c(c4c5c4c6c8c%11c%124)C%153)C21CC%14=CC(C=C9C7)C%13%10"]
["150005195","C1=CC2C3=C4C5=C(CC3)C3C6CC(c7ccccc76)C36Cc3ccc7c8c3-c3c6c5c5c6c9c%10c(c-8c36)C3=C6C(=CCC37)Cc3cc1c1c(c3C6%10)C9C(=C12)C45"]
["167289522","C1=C2CC3=Cc4cc5c6c7c4C48c9c%10c%11c%12c(c1cc1c%12c%12c(cc%13cc(c6c6c%13c%12c%11c6c97)C5)C1)C%101[C@@H]5O[C@@]6(c7ccccc75)c5nc7ccccc7nc5[C@@]5(O[C@H]4c4ccccc45)C38C216"]
["180590235","C[Cl+][C@@H]([Cl+]C1(C)C2=CC(F)=C(C(F)(F)F)C(F)C2=C2C=C(C)C=[C-]N2C1(C)C)C1(C)N2[C-]=CC(C)=CC2=C2C(=CC(F)=C(C(F)(F)F)C2F)C1(C)C"]
["20166795","CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccc(-c3ccccc3C(F)(F)F)o2)[C@H]1C#N"]
["105435819","CN(CC(O)=NCC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1"]
["103768447","CC[C@H](C)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl"]
["73892787","Cc1cc(F)ccc1C1CN(C(C)C(=N)O)CCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl"]
["123978482","CC(C)(C(O)=Nc1cc(C(F)(F)F)cnc1O)c1cccc(Cl)c1F"]
["26484201","O=C(O)CC1Sc2ccccc2N(Cc2ccc(Cl)c(C(F)(F)F)c2)C1=O"]
["190758523","C=C1C(C(F)(F)F)=CC(C)=[C-]N1CC(F)F.[Y]"]
["166485291","CN(Cc1nnc2n1CC(C(F)(F)F)CC2)C(=O)[C@H]1CC1(C)C"]
["MCULE-8350324585","Cn1nc(C(F)(F)F)cc1-c1cc(F)c(C(=O)N2CCC(F)C2)c(F)c1"]
["MCULE-5834804517","CSc1ncc(-c2ccccc2OC(F)(F)F)c(C(=O)N2CCC(F)C2)n1"]
["83030427","CC(C)CC1=NC2(CCC(C(C)(C)C)CC2)N(C(CCC(C)(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)C1=O"]
["177212573","CC[C@@H]1CCCP1/C=C\\P1[C@H](CC)CC(C2C[C@@H](CC)P(CCP3[C@H](CC)CC[C@H]3CC)[C@@H]2CC)[C@H]1CC"]
["167236498","C[C@H]1C[C@H](C)P1CCP1[C@@H](C)C[C@@H]1C.[B].[B]"]
["68756755","CC[C@@H]1CC[C@@H](CC)P1C"]
["112643181","CCC1CCCC(NCC2(CC)CCC2)C1"]
["MCULE-5842369442","CCN(CC)c1cc(N2CCN(C(=O)C3CCCCC3)CC2)nc(C)n1"]
["176406567","C/C=C\\C(N)=C(/CC)SNCC1CCOCC1"]
["180948140","CCCCCP1CCC[C@H]1[C@@H]1CCC[P@]1CCCCC"]
["154987761","CCC1CCC(N=C(O)C2[C@H]3CCC[C@H]23)(C(=O)O)CC1"]
["178795890","CCC1C2CC[C@H]1C2CO"]
["95514115","CCC1CCCC(C(O)C2SCCSC2CC)C1"]
["114378110","CC1CCCC(N(CCO)CC(F)F)C1"]
["97604992","CC[C@H]1C2CCCCN3CC[C@@H]([C@H]4[C@@H]1OC(=O)[C@@H]4C)[C@H]23"]
["180329973","Fc1ccc2c(CC(C3C4C=CC(C3CI)N(CCCc3c[nH]c5ccccc35)C4)N3CC4CC(CI)C3C=C4C(Cc3cc4ccccc4[nH]3)N3CC4C=CC3C(CI)C4)c[nH]c2c1"]
["142554382","CCCN=C(O)N1CCC(c2c[nH]c3ccccc23)CC1"]
["102896807","COC(=O)C(Cc1c[nH]c2ccccc12)N(CCC#N)C(=O)/C(CC(C)C)=N\\OCc1ccccc1"]
["178981561","O=C(NCC[C-]1[N-][C+](c2c[nH]c3ccccc23)[N-]O1)c1ccc(C2C[I+]C2)cc1"]
["18292135","CN1C(=O)[C@H]2[C@H](NC(=[NH+]CCc3c[nH]c4ccccc34)N2Cc2ccc(F)cc2)N(C)C1=O"]
["MCULE-5638922573","O=C(NCC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1"]
["32992979","CC(C)CC(CC(O)=NO)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=NCC(O)=NCC(O)=N[C@@H](CCCCN=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)C(=N)O"]
["62587955","CC(C)[N-]CC(O)Cc1cc2ccccc2[nH]1.[Ac]"]
["MCULE-6769424286","COc1ccc(Cl)cc1N=C(O)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1"]
["25985462","CCCCCC(N=C(O)[C@@H](Cc1c[nH]c2ccccc12)N=C(O)N1CCC2(C=Cc3ccccc32)CC1)C(=O)O"]
["187586619","N=c1[nH]ccc2cc(CN=C(O)C(Cc3cccc4ccccc34)N=C(O)CCCCCN3CCCCC3)ccc12"]
["170962252","CCOc1cccc(F)c1CN1CCN(C(=O)[C@H](N=C(O)OCc2ccccc2)C2CCN(CCc3c[nH]c4ccccc34)CC2)CC1"]
["184195587","O=S1c2ccccc2[S+](c2ccccc2)c2cc(-c3ccc4c(c3)[S+](c3ccccc3)c3ccccc3S4(=O)=O)ccc21"]
["MCULE-2725012912","COc1cc(-c2ccccc2C(O)=NC2CCS(=O)(=O)CC2)ccc1C"]
["19864854","Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3[NH3+])nc2n1"]
["51873345","O=Cc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccc(-c3ccccc3)cc12"]
["29628610","CN(C1(C(=O)O)CC1c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1"]
["MCULE-5726349227","O=C(O)CN=C(O)c1ccccc1-c1ccc(NC(=O)C2CCS(=O)(=O)CC2)cc1"]
["74498481","CC(C)(C)Sc1cc(-c2ccccc2)ccc1C=O"]
["117506172","O=C(c1ccc2nc[nH]c2c1)N1CCS(=O)c2ccccc21"]
["9099560","O=C(C1=NN(Cc2cccc(F)c2)c2ccccc2S1(=O)=O)N1CCCCCC1"]
["133559423","CCC(N=C(O)CN=C1NS(=O)(=O)c2ccccc21)c1ccc(F)cc1F"]
["MCULE-1598154222","N=C(O)C1CCN(C(=O)C2CCCCN2C2=NS(=O)(=O)c3ccccc32)CC1"]
["179264379","N=C1c2ccccc2S(=N)c2cc3ccccc3cc21"]
["195744562","[C-]1=CC2=ICC3=C(SC4C3=ICC=C3C=CS[C-]34)C2S1"]
["178866341","CCSC1=ICI=NC(=NC=C2C=[C-]C(C(C)CI)C=C2)S1"]
["165755807","CC1=N/C(=C2\\NN=C(C3CC3)O2)C(C)=C1S(=O)(=O)Nc1ccccc1C"]
["173681922","[B+]=[O+]C1=[C-]CC=C2C=CS[C-]12"]
["179712869","O=C([CH-]C1CCC(C2=CCC3=C(Br)CI=IN3C(NCc3cccnc3)=C2)CC1)C1CC1"]
["180408510","Cc1oc2c(c1C)I=C1C=[C-]SC12"]
["108427028","CC1=NC(=C2NN=C(C3CC3)O2)C(C)=C1S(=O)(=O)Nc1ccccc1C"]
["74493212","C=C1C(=O)/C(=C\\C2=CC3C4=CCCC=C4NC3C=C2)O/C1=C\\C"]
["175786605","C#CCCC1=CCC=CC1=C"]
["180177179","CC(=O)C1=CCI=C2CC=C=C[C-]2S1"]
["83025910","O=C(C=CNc1ccccc1Cl)C1C=CSC1"]
["163525801","C=C1C=C[C@]23CCN(Cc4cscc42)[C@H]3C1"]
["80551342","COC12C3=C4C5=C6C7(OOC(C)(C)C)c8c9c%10c%11c(c%12c%13c%14c(c1c1c%15c2c2c%16c%17c(c7c7c8c8c%10c%10c%18c%11c%13c%11c%13c%14c1c1c%14c%15c%16c%15c%16c%17c7c7c8c%10c8c(c%11%18)c(c%131)c(c%14%15)c8c7%16)C2(OOC(C)(C)C)C36OOC(C)(C)C)C4%12Br)C59OOC(C)(C)C"]
["164587896","CC(C)(C)OOC1(c2ccccc2)C(O)=Nc2ccccc21"]
["32742490","CC(C)(C)OOC1(c2ccccc2)c2ccccc2-c2ccccc21"]
["52865861","C/C=C/C12c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c(c1c1c3c3c5c5c%19c6c9c6c9c%10c%13c%10c%13c%14c%17c%14c%17c%18c1c1c3c5c3c(c1%17)c(c%14%13)c(c9%10)c3c%196)[C@@]%16(/C=C/C)C1=C(C(=C(C12)[C@@]47/C=C/C)[C@@]8%11/C=C/C)[C@]%15%12/C=C/C"]
["106029101","C[C@@H]1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1"]
["70581066","CC(C)(C)OOC12c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c(c1c1c3c3c5c5c%19c6c9c6c9c%10c%13c%10c%13c%14c%17c%14c%17c%18c1c1c3c5c3c(c6%19)c(c9%10)c(c%13%14)c3c1%17)C%16(OOC(C)(C)C)C13OC1(C(=C(C74O)C23OOC(C)(C)C)C8%11O)C%12%15O"]
["171365291","CC(C)(C)OOC1(c2nnnc(C3(OOC(C)(C)C)CCCCC3)c2C2(OOC(C)(C)C)CCCCC2)CCCCC1"]
["175030532","CC1C#CC(C)(OOC(C)(C)C)CC1"]
["34711682","CC(C)(C)OOC12C3=C4OC5(O[Si](C)(C)c6ccccc6)c6c1c1c7c2c2c8c9c%10c%11c%12c%13c%14c%15c%16c%17c(c5c5c6c6c1c1c%18c7c8c7c8c9c%12c9c%12c%13c%16c%13c%16c%17c5c5c6c1c1c(c%187)c(c98)c(c%12%13)c1c5%16)C%15(Cl)C4(O[Si](C)(C)c1ccccc1)C(=C3C%102OOC(C)(C)C)OC%11%14O[Si](C)(C)c1ccccc1"]
["76142421","CC(C)(C)OOC1(OOC(C)(C)C)CCCCCCCCCCC1.CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1"]
["129975664","COC(O)=NC(C)(C)C(=O)N=c1[nH][nH]c2c(Cl)cccc12"]
["34702279","CC(C)(C)OOC12c3c4c5c6c7c8c9c%10c(c1c1c%11c%12c2c2c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c1c1c%10c%11c%11c%12c%12c2c2c3c5c3c5c2c%12c2c%11c%11c%10c%10c(c%141)c1c9c7c7c6c6c%13c3c3c5c2c%11c2c%10c1c7c6c32)C48OOC(C)(C)C"]
["179421254","O=C1c2c(cc3c4c2C=CC4C=CO3)C(O)=C2C1C=C1OC=CC3=C1C2C=C3"]
["155575547","C[C@@]1(c2ncc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1"]
["163521242","CC1=CC(c2c(O)cc(O)c(C(=O)/C=C/C3=CCCC=C3)c2N=O)C(C(C)(C)O)CC1"]
["83558050","CCOC(=O)C1=CN=C2c3cc(C(=O)OCC)cnc3C=CC2C1=O"]
["165759916","N#C/C(C(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)=C1\\N=C(O)C2C=CC=CC2=N1"]
["155535608","CN(C)CCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1"]
["MCULE-4284509381","Cc1cc(C)c(-c2c[nH]ccc2=NC(=O)C2CCC(=O)O2)c(C)c1"]
["155536352","C[C@@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1"]
["196679838","CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=C[C@@H]21.CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2"]
["69737611","O=C1C=CC2=CC(c3ccccc3O)C=CC2=N1"]
["155607907","Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC1=O)O2"]
["51665316","C[C@]12CCc3c(ccc4cc(O[Si](C)(C)C)ccc34)[C@H]1CCC2=O"]
["46773710","O=C(CC(SOOO)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F"]
["183347820","[N-]=[N+]=NN=C(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)F"]
["91200861","CC(CC(=O)O)C(=O)OCC(F)(F)F"]
["197066188","CC(CN=C(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC(C)(C)CCN=C(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F"]
["MCULE-3576624517","Cc1nc(SCc2cc(=O)c(OCC(=O)OCC(C)C)cn2CCN(C)C)c(C#N)c(C)c1C"]
["42876494","CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F"]
["25688031","CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F"]
["34239171","O=C(O)c1cc(OCC(F)(F)C(F)F)c(C(=O)O)cc1OCC(F)(F)C(F)F"]
["171130661","CCCCCCCC(SOSC(CCCCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["26788984","OCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["170976275","C/C(=C\\C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["194751880","CCOC(=O)c1ccc(C(=O)OCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(C)(I)C(=O)OC)cc1"]
["168927584","C1=C=C(NC2CCCC#CCC(C3CC=C=CC(N/C4=C/CC#C/C=C\\C4)C3)C2)CC#CCC=1"]
["91021715","CC(=O)O.OC1C#CC=CC#CCCC1"]
["103320436","COc1cc(N[C@@H]2CCC[C@@H](C)C2)cc(OC)c1"]
["157011498","C[C@H]1CCC[C@H](Nc2cncnc2)C1"]
["50904895","COc1ccc(NC2CCCC(C)C2)cc1Br"]
["87033581","CCC1CC(Nc2c(C)cc(C)cc2Br)CCO1"]
["187197081","C=CC(C[C@H]1CCCN(S(=O)(=O)C2CC2)C1)Nc1cc(Cl)c(Oc2ccc(OC)c(C(C)C)c2)c(Cl)c1"]
["52889335","CC1CCCC(Nc2c(Cl)ccc3scnc23)C1"]
["92220167","CC1CCC(Nc2ccc(Br)c3ccccc23)C1"]
["52586043","CCOc1cccc(NC2CCC(C)C2)c1"]
["64201817","CC1CCCC(Nc2ccc(Nc3ccccc3)cc2)C1"]
["91771467","CC1CCC(Nc2cccnc2N)C1"]
["175300091","ClPN=NON=NPCl"]
["171914193","[2H][I-]PCl"]
["181462362","NN=C(S)N=NON=NC(S)=NN"]
["183679393","CC(C)NCOPCl"]
["181925692","N#COPCl"]
["179456184","NCCC=NPCl"]
["172334551","O=[C-]O/N=N\\O[C-]=O.[Ba+2]"]
["168420236","FC(F)(F)C(F)(F)CO[P+](=NPCl)OCC(F)(F)C(F)(F)F"]
["173380403","C=CN=NON=C"]
["56836842","C[Si](C)(C)O[Si](C)(C(Cl)Cl)C(Cl)Cl"]
["78671766","FC(F)(F)C(F)(F)CO[PH](=NPCl)OCC(F)(F)C(F)(F)F"]
["174611728","ClPCl.O=NO"]
["79507773","O/C=C(\\O)C(O)(O)[SiH3]"]
["78650275","NC(N)([SiH3])[SiH3]"]
["157210520","CC(C)(C)O.O=C([O-])O.[Cs+]"]
["175566428","C=CC(C=C)(CC)C(C)([SiH3])C#N"]
["78483256","CC(C)/C(=N\\O)C(C)(C)[SiH3]"]
["100252815","C[N+](C(O)O)(C(O)O)C(O)(O)O"]
["175917935","CCC/C=C(/O)C(F)(F)F"]
["172230737","O=C[C@@](O)(C(=O)O)[C@H](O)C(=O)O"]
["183047287","CNC(C)CC(O)(O)O"]
["173239587","CC1OC(C(=O)O)C(O)C(C)C1C"]
["78678099","O=C(O)/C(Br)=C/O"]
["79594661","O=C(O)/C=C/C(/C=C/C(=O)O)(/C=C/C(=O)O)/C=C/C(=O)O"]
["26750876","O=C(O)C12OOC1(C(=O)O)C13OOC1(C(=O)OOOOC3=O)c1ooc12"]
["179820555","O=C(O)[C@]12CC3CC1C(OC2=O)C3O"]
["61989111","O=C(O)C1CC2CCC1C(=O)C2"]
["172245871","O=C([O-])Op1oc(=O)o1.[K+]"]
["183427708","CC1=C(C(=O)O)CC(Cc2ccc(CBr)cc2)(C(=O)O)C=C1"]
["162710055","C[C@@]1(C(=O)O)C(=O)O[C@H]2CCCC[C@@H]21"]
["82050463","CC(C)(C)C1(C(=O)O)CCC(O)CC1(Cc1ccccc1)C(=O)O"]
["758370","C[C@]1(C(=O)O)[C@@H]2CC[C@H](O2)[C@@]1(C)C(=O)O"]
["23425678","CC1(C(=O)O)CC(c2ccc(Cl)cc2)=NO1"]
["155805774","O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccco1)C(=O)O"]
["162686398","CC1(C)C2(C(=O)O)CC[C@@]1(C)C(=O)O2"]
["169867827","CCOC(=O)C1(Cc2ccccc2)OC(=O)C(Br)(Cc2ccccc2)O1"]
["179407740","FC(F)(F)C1=NC(C2=CC(=C3C=c4cncnc4=C=N3)N=C=C2)=[N+]=[O+]1"]
["75840514","[CH2]Cc1ccc(C(F)(F)F)nc1"]
["60439096","Ic1cncnc1N1CCC2CCCCC2C1"]
["186953912","CC(C)c1ncncc1N=C(O)Cn1ccc(C(F)(F)F)n1"]
["154873686","O=c1cc(C(F)(F)F)ncn1CC1CCN(CCn2cccnc2=O)CC1"]
["196581508","Nc1ncc(-c2cc3n(n2)CCC32CN(C(O)=NCc3cncnc3)C2)cc1C(F)(F)F"]
["MCULE-5874983993","COc1cc(-n2nc(CO)c(I)c2C(F)(F)F)c(C)cn1"]
["MCULE-2854010002","OC(Cc1ccsc1)=Nc1ncncc1-c1ccccc1C(F)(F)F"]
["183096093","CC(C)(C)C1C=C(CCc2ncncn2)C=CC1(O)C(C)(C)C"]
["174373721","CC(C1=NC(N)C(=S)C(C(F)(F)F)=N1)c1cc2c(Br)c[nH]c2cn1"]
["184250543","CSC1=CC2=C(C=C=N2)CC1"]
["172217813","O=Cc1cnccc1-c1cnc(C(F)(F)F)nc1"]
["178469555","Cc1cc(Cl)c(C)c2nn(-n3cnc4c(C)c5n[n+](-n6cc7c(C)c8[nH][n+](C)nc8c(C)c7n6)nc5c(C)c4c3)nc12"]
["14986100","Cc1cc[n+](C2=C([O-])N(C(C)C)C(=O)C2=C2C(=O)N(c3cccc(Cl)c3)N=C2C(C)C)cc1C"]
["MCULE-4756651919","CCN(CC)c1cc(C)c2[nH]cc(C(O)=Nc3ncc(C(F)(F)F)cc3Cl)c(=O)c2c1"]
["166566383","Cc1nnc2ccc(C(O)=NC3CN(c4ncccc4Cl)C3)cc2c1C"]
["175431457","C=CCCn1cnc2c(C)cc(Cl)cc2c1=O"]
["75252037","Cc1ncn(-c2n[nH]c3[nH]c(=N)sc23)c1-c1ccccc1Cl"]
["196795813","Cc1cc2c(c(OC(C)C)c1)Oc1cc(c(O)cc1Cl)C/C=C(/Cl)Cc1cc(C)c(c(OC(C)C)c1)Oc1cc(c(C)cc1Cl)C/C=C\\C2"]
["63923793","Cc1ccc(N2NC(c3cccc(Cl)c3)=C3CCCCN=C32)cc1Cl"]
["198538885","Cc1nn(-c2cc(Cl)c(=O)n(C)c2)c2ccccc12"]
["21863990","CCCc1nc2ccc(C)cn2c1C(O)=Nc1cc(OC)c(Cl)cc1OC"]
["155188957","Cc1ccc(-n2cnnc2SCc2nc3ccc(Cl)c(C)c3[nH]2)cc1Cl"]
["188568004","Cc1cnccc1-c1cc2c(cc1Cl)nc(O)n1nc(CN=C(O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nc21"]
["180790698","CC1=IC2(C)C1(C)C1(C)[I]C(C)(C)[I]2(C)[C-](C)[C-](C)C1(C)C"]
["110698425","CC1=[N+](O)[C@@H](O)C(C)(C)[N+](O)=C1C"]
["162259290","CC1=CC2C(O)CC2C1(C)C"]
["56185153","CC1=[N+](O)C(O)C(C)(C)[N+](O)=C1C"]
["168909108","Cc1ccccc1N1CC2(CC1(C)C)C1CC3CC(C1)CC2C3"]
["162762958","CC1=C[C@H]2[C@@H](C)[C@@H](O)C[C@H]2C1(C)C"]
["112548131","Cc1cc2c(cc1F)nc(S)n2CC1(C)CCCCC1"]
["32890008","CC1=C(/C=C/C(=O)C(C)C)C(C)(C)CCC1"]
["87739574","Cc1cc(C)c2c(c1C)NCC(C)(C)CO2"]
["91435051","Cc1nc(-c2ccc(N)c(N)c2)sc1C"]
["178289851","CC1(C)CC(C)(I)c2c(N)cccc21"]
["109816799","COC(=O)[C@H](C)[C@@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2C1=O"]
["161896833","Cc1ccc2c(n1)=[Se](C)C1=C3N=C[N]N3C=NC=21"]
["154796434","Cc1ccnc(NCC2CC2C2CCN(C(C)C)CC2)n1"]
["25732759","Cc1ccc2scnc2n1"]
["86647689","Cc1ccc(-n2c(CCl)nc3ccc(C)nc32)c(C)c1"]
["94117357","CNC(c1ccc(C)nc1)c1nc(C(C)(C)C)cs1"]
["172899911","Cc1ccnc(N2CCC(N=c3ccnc(N(C)C)[nH]3)CC2)n1"]
["141552851","Cc1ccc(CN2CC3C(C2)C3(C)C)c(C)n1"]
["53264343","Cc1csc(C(C)NC(C)c2ccncc2)n1"]
["85604998","Cc1ccc(N=C(O)c2ccc(NN)nc2)c(C)n1"]
["186286922","CCc1ccc(C)nc1N=CS"]
["174949710","Cc1ccc(N2CCC(C3CCN(c4ncc(Br)s4)CC3)CC2)nc1"]
["98454519","CC1=C(c2csc(C)n2)N(Cl)CC=C1"]
["193901400","CC(C)(C)P(C)(=BCl)C[P+]([B+]Cl)(C(C)(C)C)C(C)(C)C.Cl.[B+]=P(C)(CP(=[B+])(C(C)(C)C)C(C)(C)C)C(C)(C)C"]
["68033785","CC(C)(C=Cc1ccccc2cccc1-2)N=O"]
["184850295","C=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.[Cl-].[Pd+2]"]
["101089385","CCOP(=O)(OCC)[C@@H](Cl)C(=O)C(C)(C)C"]
["93497395","COCc1nc(Cl)cc(N(C)C(C)C(C)(C)C)n1"]
["129264391","CCC(CC)CN=C(O)C(C)(Cl)Cl"]
["139027949","COCCC(C)(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1"]
["113803351","CCCNCc1ccc(NC(=O)C(C)(C)CC)cc1"]
["129024225","CC(Cl)(Cl)C(O)=NN=C(O)Cc1nc(-c2ccccc2)cs1"]
["81603812","[B+]=P(C)(CP(=[B+])(C(C)(C)C)C(C)(C)C)C1CC(C)CCC1C(C)C"]
["111822835","CCC(C)(C)CNCc1nnc(-c2ccccc2)o1"]
["88818963","COC[C@H](N)c1nnc(-c2cccc(Cl)c2)o1"]
["83171426","CC(C)(c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)C3=CC=C=C[CH]3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(C(C)(C)c4ccc(S([O])=O)cc4CCl)c(CCl)c3)cc2)cc1.[Co]"]
["63606717","CC(C)=CC[C@@H]([C@H](O)CF)S(=O)c1ccc(C)cc1"]
["8454160","Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2cccc(Cl)c2)cc1"]
["46312124","CCCCOC(=O)C(C)(Cl)CS(=O)(=O)c1ccc(C)cc1"]
["MCULE-5849563393","CCCN(C(CC)C(O)=Nc1cc(OC)cc(OC)c1)S(=O)(=O)c1cc(C)ccc1C"]
["171123871","Cc1ccc(S(=O)(=O)OC2C(Br)C(O)OC(CBr)C2OC(=O)c2ccccc2)cc1"]
["1595612","CS(=O)(=O)c1ccc(CC(O)=Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1"]
["53384136","Cc1ccc(S(=O)(=O)N2CCN(CC(O)=N[NH2+]C=C3C=CC(=O)C(O)=C3)CC2)cc1"]
["143969700","CN(CCO)CC(C)(O)c1ccc(S(C)(=O)=O)cc1"]
["200394889","Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)cc1"]
["91494845","CS(=O)(=O)c1ccc(NC(O)=Nc2cc(Cl)c([N+](=O)[O-])cc2O)cc1"]
["32290047","CO[C@H]1OC[C@@H]2SC(=O)O[C@@H]2[C@H]1OS(=O)(=O)c1ccc(C)cc1"]
["175880353","Cc1cc2ncn(C(C)c3cc4ncn(CC(C)c5cc6nc[nH+]cc6o5)cc-4[s+]3)cc-2n1"]
["49581339","Cc1ccc(C(CN)n2cnc(C)c2C)o1"]
["159745683","CC(C)CN1CCOC(CN=C(O)Nc2ccc3nc(C4CC4)oc3c2)C1"]
["MCULE-5134984450","Cc1ccc(-c2c(C)ccnc2N=C(O)c2cn(C)nc2C(F)F)o1"]
["200221064","Cc1c(F)c(C(C)CN)c2n[nH]cc2c1-c1cn2cc(N=CO)nc2cn1"]
["19076836","Cc1cc(N(C)Cc2nccn2CC(F)(F)F)nc(-c2ccccn2)n1"]
["163822285","CC(C)c1cc(C(O)=NC(C(=O)N2CCOCC2)C(C)C)c2ccccc2n1"]
["150293586","CC1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1C"]
["23670297","COc1cc(CNCCCn2ccnc2)ccc1OCC(O)CN1CCOCC1"]
["21972626","CCN(Cc1[nH+]nnn1C1CC1)[C@H](C)c1cc2ccccc2o1"]
["181949409","CCOCc1ncccc1-c1cc(NCc2ncn(C)n2)c2c(cnn2[C@H](C)CC)n1"]
["151514151","Cc1cn(C)c([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1"]
["78570604","C=C=PNC(=N)NPCl"]
["162927242","CNC(=N)NC1CSC(C)C1"]
["91624052","C=CCNC(=N)SC(SC(=N)NCC=C)(C(=O)O)C(=O)O"]
["157835315","C#CCNC(=N)N[C@@H](C)CC"]
["186549890","CNC(=N)N/C(C)=C/C(C)C(C)C"]
["50546513","C=C=C([CH2+])C[CH2-]"]
["175096994","N=C([O-])NCl.[Sn+2]"]
["195548747","N=C(Cl)/C(F)=C(/Cl)NN"]
["158380739","N=C(O)NN(Cl)C(=N)O"]
["145183985","C=C=PNC[C@@H](C)N"]
["382296","COc1cc(OC)c(/C=N/NC(=N)NO)cc1Br"]
["79378411","C=C=N.O=PO"]
["161693119","Br[As+]1(Br)CC[As-]CC1"]
["58067740","BrNC1CC1"]
["52081817","C[As+]1(Br)CCCCC1.[Br-]"]
["171642835","O=C(Cl)C1(Cl)CC1(Br)Br"]
["53916186","O=C(O)C1NCNC1C(=O)O"]
["52490866","C[As+]1(Cl)CCCCC1"]
["176440239","C[As+]12CC[As+](C)(CC1)c1ccccc12.[Br-].[Br-]"]
["47954654","C[As+]1(C)CCCCC1"]
["162438211","CC(C)(Br)C(=O)N=S1(=O)CCCC1"]
["64629780","C[As+]1(Br)CCCCC1"]
["150186809","BrN1C=CCO1"]
["79417433","[O]SC(=O)S"]
["195821653","II=[n+]1c2c([c-]3[c-]1C=CCC3)CCC=C2"]
["98342451","CC1C(C)C(C)(C)C2=C(C=CCC2)C1(C)C"]
["174538488","C1=Cc2ccccc2CC1.[H-].[Na+]"]
["175554397","Cn1nc(C(=O)O)c2c1C=CCC2"]
["180721349","CC1=C(S(=O)O)CCC=C1"]
["195767929","O=C1N=C(O)CC2=C1CCC=C2"]
["180650377","CC1(C)C=c2c3c([nH]c2=CCC1)C=CCC3"]
["179413316","[CH-]=C1CCC(=II)C(C)N1C"]
["74494502","OC1CC2=C(CCC=C2)C1"]
["182022642","O=C1C2=CCCC=C2C2=C1CCC=C2"]
["197638427","NC1(c2ccc[nH]2)CCC(F)(F)CC1"]
["178937463","O=COCC1C2=C(C=CCC2)C2=C1CCC=C2"]
["79747967","ClN(Cl)[CH-]CN(Cl)Cl.[K+]"]
["171919691","[CH2-]CC[CH-]CN(C[CH2-])C(C)(C)C.[V]"]
["79061058","[CH2-]N(C[CH-]Cl)CCCl.[Ca+2]"]
["162608505","O=S(=O)(CCl)N(Cl)Cl"]
["78237277","C=CCN(Cl)CC=C.O"]
["198245399","CCN(Cl)N(C)C"]
["172647729","CCN(Cl)C(=N)N"]
["183182332","CC(C)CN([S-])CC(C)C.[Sn+]"]
["196599544","CN(C)CC1(C[O-])CC1.[K+]"]
["79144132","CBCN(Cl)[Si](Cl)(Cl)Cl"]
["174534863","S=PN(Cl)NCl"]
["167225905","CCN(C)C(Cl)=C(Cl)Cl"]
["174147949","[B+]C([B+])(C)C(C)([c-]1[cH-][cH-][cH-]c(C(C)(C([B+])(C)C)C(C)(C)C)c1C(C)(C)C)C([B+])(C)C"]
["75080592","CC(C)(C)C1=C=CC=C=N1"]
["171800442","[B+]=C1C(=[B+])C(=[B+])[C-](O[c-]2cc(C)[cH-][cH-][cH-]2)C(=[B+])C1=[B+]"]
["174091311","[B+]C([B+])(C)C1=C=CC[N-][C-]1N(CCC)CCC"]
["175245773","[B+]C(C)(CC)C1[C-]=C(C(F)(F)F)[C-]=C(C(F)(F)F)C1"]
["49934133","C=S1N=C(C(C)(C)C)C(C(C)(C)C)=C1C"]
["178853542","CC(C)(C)C1=CC2C=CC=[N+](O)C2N1"]
["173758601","[B+]C([B+])(C1=C(C(C)(C)C)C(=[B+])[C-](C(F)(F)F)[CH-][CH-]1)C(C)(C)CC"]
["192018127","CC.CC(C)(C)[C@@H]1SCC2N=C(O)NC21"]
["99344780","CC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)[c-]1C(C)=O.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1"]
["170581322","CC1=CC=C(C)C1[C@@H]([C@H](C1C(C)=CC=C1C)C(C)(C)C)C(C)(C)C"]
["172239179","CC(C)(C)c1csc(COSc2ccccc2)n1"]
["168588587","CCC(C)([Si](C)OC(C)(C)[Si](C)(C)C)C(C)(C)O[Si](C)(CC[Si](C)(C1SCCCS1)C1SCCCS1)C(C)(CC)C(C)(C)O[Si](C)(C)C(C)(C)OC"]
["78040626","C=CCC(CC1(CC)SCCCS1)O[Si](C)(C)C(C)(C)C"]
["184484713","COC(C)(C)[Si](C)(C)OC(C)(C)C(C)(C)[Si](C)(CCCOc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1)OC(C)(C)[Si](C)(C)C"]
["34533494","CC(C)(C)[Si](C)(C)OC[C@H]1SCC(O)[C@@H]1[N+](=O)[O-]"]
["54542967","CCC(C)(C)C(=O)OC1CCCC(CCO[Si](C)(C)O[Si](C)(C)C)C1O"]
["174192160","COc1c(C)c2c(c(OCC[Si](C)(C)C)c1CC=[N+]=O)C(O)OC2"]
["136569541","CC(C)(O)CNC(O)=NCC1CCCS1"]
["148825876","CCC(CC)(O[Si](C)(N)OC)[Si](C)(C)OC(C)(CC)[Si](C)(N)OC"]
["186418510","CCC(Oc1ccccc1C)c1nnc(C2SCCCS2)o1"]
["93634224","CCCOCC(C)(N)c1noc(CCC2CCCCC2)n1"]
["157872685","CC[C@@](C)(OC)[C@@H]1NCCS1"]
["49859910","COCCC(C)(N)Cc1ccn(C2CCCC2)n1"]
["91642800","b1bnnbn1"]
["195658367","b1nnbnn1"]
["79962878","CN=C(S)S[Si](C)(C)C"]
["168441258","b1[b+]n1"]
["68413216","b1nbnbn1"]
["172809488","b1ncon1"]
["49101098","b1ccbnn1"]
["79962877","CN=C(S[Si](C)(C)C)S[Si](C)(C)C"]
["91661038","b1nbnbnbnbnbnbnbnbn1"]
["161671297","b1ccc[nH]nbnn1"]
["91019044","B1=NC=C1"]
["79245762","[O]c1nnc(O)nn1"]
["91090592","[Si]1#SSSSSS1"]
["177153217","CCCS1(OCC)(OCC)(OCC)[Si]#SSSSS1"]
["177153199","CCOS1(CC)(OCC)(OCC)[Si]#SSSSS1"]
["100853537","S1SS[SH-]SS1"]
["177153208","CCOS1(CC)(OCC)(OCC)[Si]#SSSS1"]
["177153209","CCCS1(OC)(OC)(OC)[Si]#SSSSS1"]
["91090591","[Si]1#SSSSS1"]
["178196183","Cn1c2c(n(O)c1=O)CCSC2"]
["177153214","CCS1(OC)(OC)(OC)[Si]#SSSSS1"]
["172828514","CCC=CO[SiH2][SiH2][SiH3]"]
["91024579","[Si]1#SSSS1"]
["91090588","[Si]1#SS1"]
["45830541","O[C+]1N=[Si-]C[N-]1"]
["191530166","O=c1[cH-][n-][c+](O)[n-]1.[Na+].[Na+]"]
["185564722","CC1=C[C@@H]2CN(C(O)=N2)[C@@H]1C(O)=NC1CC[NH2+]CC1"]
["25019581","O=c1n[c-][nH][c+](O)[nH]1"]
["26536568","O=C1N=[C-]C[C+](O)[N-]1"]
["50090285","OC1=C(O)C2N=COC2=C1"]
["43498217","CC1CC=NC1C(=O)O"]
["25451656","O[C+]1C=CCN=C1"]
["65494170","Oc1nnc2nccc(C3CC3)n12"]
["79557861","O=C(N[C]=S)C(Cl)Cl"]
["75505688","O[C+]1[N-]SCC1O"]
["97749937","OC1=[Si-](F)(F)[C+](O)[Si]1(F)F"]
["156258541","C[SH](=O)(F)NSF"]
["172314036","CCNSF"]
["78525585","CCN[SH](=O)(P)N(C)C"]
["183104367","CSNNC(=O)[O-]"]
["58265848","CCC(O)CC(=O)SC"]
["170383766","CC(F)(F)NCO"]
["188750522","C[SH](C)(=O)CC(Cl)Cl"]
["56449320","CCNS(=O)(=O)CC1CC1"]
["75956305","C[SH](C)(=O)c1ccccc1"]
["156546224","C[C@H]1CC[C@H](NS(=O)(=O)C(F)F)C1"]
["190055401","CCC(CNSF)CN(C)C"]
["88589093","CC(C)OC(=O)CSC(=N)NC(=N)N"]
["184154053","c1ccc([S+]=C2[SH+]c3cc(=c4ccc5cc6cc(=[Si](c7ccccc7)c7ccccc7)ccc6cc5c4)ccc3=C2[SH+]c2ccccc2)cc1"]
["13201934","Cc1cccc2cc(CN(c3ccccc3)S(C)(=O)=O)c(O)nc12"]
["CSSS14790103837","CC(C)(C)CC(=O)N(CC(=N)O)Cc1ccccc1N=C(O)C(F)Cl"]
["173838681","Cc1ccccc1-c1ccccc1[Si](c1ccccc1)=c1ccc(=[Si](c2ccccc2)c2ccccc2-c2ccccc2C)cc1"]
["100706787","N#CC1(NS(=O)(=O)c2ccc(-c3sc(C(=O)N4CC5(CCS(O)(O)CC5)C4)nc3CC3CCCCC3)c3ccccc23)CC1"]
["174937438","CC(C)C(=O)O.CC(C)C(O)C(C)(C)C(O)c1ccccc1"]
["75371657","CCC(c1nc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccccc1)(N(C)C)S(=O)(=O)O"]
["186015200","O=Cc1ccc2cc3cc(Br)ccc3cc2c1"]
["62466572","CC(C)(C)c1ccc(-c2cncc(F)n2)c(O[Si](c2ccccc2)c2ccccc2)c1"]
["179243110","[B]1OC(c2ccccc2)CC(c2ccc3cc4ccccc4cc3c2)O1"]
["185264565","Cc1cc([SH+]c2ccccc2)c(C)c(C)c1C"]
["181722456","C(=CC(=Cc1ccccc1)c1ccccc1)=Cc1ccccc1"]
["168168531","N=c1[nH]onc1-c1[nH]o[n+](=O)c1-c1no[nH]c1=N"]
["156311359","CC(C)(C)C(C)(C)c1nc(=N)[nH]o1"]
["184403315","CCN=CC(=C[NH3+])N=c1[nH]c([NH3+])c(C(=N)S(C)=O)c(=N)[nH]1"]
["174794959","CC.CCC.Cc1[nH]o[n+](=O)c1-c1ccccc1"]
["168256440","[NH3+]C(=NO)c1no[nH]c1=NCn1nnc2ccccc21"]
["66613925","N=c1[nH]onc1-c1ccc(N[C@@H]2[C@@H]3CC[C@H]2NC3)cc1"]
["97988663","CC(CCNS(C)(=O)=O)N=c1[nH]onc1C(=N)Cl"]
["7672318","N=c1[nH]onc1C([NH3+])=N/N=C/c1c(O)ccc2ccccc12"]
["174563111","N=C(O)c1[nH]c(=N)nc(C(=O)O)c1Cl"]
["184849817","CC(=O)c1cnc(O)[nH]c1=N.N=c1ccnc(O)[nH]1"]
["164270452","COCC(C)(C)CC(C)(C)N=C(N)c1no[nH]c1=N"]
["102896245","O=[N+]([O-])c1cnc2c(c1)[nH]o[n+]2=O"]
["149001238","n1nc2nc3nn4[nH][nH][nH]c-4nc-3nn2[nH]1"]
["83947278","COc1ccc(-c2nc3nn[nH]n3n2)cc1"]
["33155329","CCOC(=O)c1nn2[15nH]nnc2nc1=N"]
["107632716","Cc1nc2nn[nH]n2c1C(=O)CO"]
["MCULE-3477671794","Cc1cc(C(=O)N=c2nn[nH]n2C)nn1C(C)(C)C"]
["147755765","Cc1cn2[nH]nnc2n1"]
["46191569","CC(C)N(C)CCCCN=c1nn[nH]n1C"]
["51932873","C=C(C)Nn1[nH]nnc1=N"]
["170774756","FC(F)c1cc([C@@H]2CC[C@@H]3CC[C@H]2N3)n2ncnc2n1"]
["156939920","C[C@@H]1CCC[C@@H](C)N1n1[nH]nnc1=N"]
["34079130","c1ccc2c3nn4[15nH]nnc4nc-3nc2c1"]
["34632616","Cc1nn2c(CSc3nc4nn[nH]n4n3)nnc2sc1=O"]
["167255011","Cl[GeH](Cl)CC[Ge](Cl)(Cl)Cl"]
["174475030","CN(C)CC[GeH](Cl)Cl"]
["78629493","CCCC[GeH](CCCC)CCCC.[Cl-]"]
["79181586","CCCCC[Ge](Cl)(Cl)Cl"]
["175307179","CCCC[GeH](CCCC)CCCC.[H-]"]
["68733925","CCOP(=O)(CC[Ge](Cl)(Cl)Cl)OCC"]
["83235269","CCCC[GeH](CCCC)[Ge](CCCC)(CCCC)CCCC"]
["196437928","CC(C)(C)[Ge](Cl)(c1ccccc1)C(C)(C)C"]
["180982896","Cl[GeH](Cl)Cc1ccccc1"]
["50668656","Cl[Si](Cl)(Cl)C[Ge](Cl)(Cl)Cl"]
["170567804","CC[As+](CC)CC.CC[As+](CC)CC.Cl[Ge](Cl)(Cl)Cl"]
["58086339","N=C(O)CC[Ge](Cl)(Cl)Cl"]
["180869775","[CH2-]N=I1(C)C(C)C1[OH2+]"]
["68210453","C[C@@H]1C[C@H]1C(=N)N"]
["25844908","CC1C(C)(C)C1(C)C"]
["73500292","CC1CC1N=S"]
["150042276","CC1C(C)S1(C)C"]
["150237453","CC1C(C)N1S"]
["183233469","Cl.[CH2-]N=C(C)[O-].[Cu+2]"]
["180603582","CC1C=C2C(C1)C1CC(C)C21"]
["162769106","CC1CSCC1N=C1N=CN=C(O)C1I"]
["179716499","CC1C=CC2C=CC12"]
["180667482","[CH2-]C(=O)[C@@H]1CCCC[C@@H]1C.[CH3-].[U+2]"]
["49411078","C[C@@H]1CP(CP2C[C@@H](C)[C@H](C)C2)C[C@H]1C"]
["190356669","[SiH3]N1CN([SiH3])[SiH2]N([SiH3])[SiH2]1"]
["191288091","CCN1CN(CC)[SiH2]N(CC)[SiH2]N(CC)[SiH2]1"]
["177771612","CN1CCCC2CCN(C)CN2C1"]
["19705301","[O-]c1nc2nnc(S)n2c2c1CCCC2"]
["192188514","CN1CN(C)N(C)[SiH2]1"]
["181372757","CN1CN(Cl)C=N1"]
["79322433","CN1[SiH2]N(C)N(C)[SiH2]N1C"]
["193845327","C1CCCC1.CC[SiH3]"]
["182229433","C1CCC(N2[SiH2]N(C3CCCCC3)[SiH2]N(C3CCCCC3)[SiH2]2)CC1"]
["100374072","CCNCN1CN(CC)[SiH2][SiH]1[SiH3]"]
["182963624","CN1CCN(C)[SiH2]N([SiH3])[SiH2]1"]
["175019658","NCN1CN(N)C=N1"]
["97529888","[O]B=C1C(B=O)=C(B=O)C(B=O)C1B=O"]
["97518886","O=C1[CH+][CH+]C2C(=O)C12"]
["91452900","O=BC1=[C+]C1(B=O)B=O"]
["97553973","O=BC1=C(B=O)C(=[B-]=O)C1=[B-]=O"]
["66959850","O=NN1CCN(C2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1=O"]
["91452803","O=Bc1c(B=O)c(B=O)c(B=O)c(B=O)c1B=O"]
["66463194","CC1=C(C)C(C)C([B]C2=C(C)C(C)=C(C)C2C)=C1C"]
["161831662","O=BC1CCCCC1"]
["187367875","O=BC1CCCC1"]
["73533773","CC1Sc2ccc(CI)cc2C1=O"]
["62093027","C=C1NS(=O)(=O)NC1C"]
["33193709","COC1=C(C)C(=O)C(C)S1"]
["174286958","CC.[B+]=C1[CH-]C2c3c(c(=[B+])c(=[B+])c(=[B+])c3=[B+])[C-]3[CH-][CH-][CH-]C(=C1C)C32"]
["154162188","COc1c(O)c(OC)c(OC)c([C@H]2Oc3c(OC)c(OC)c(OC)c(OC)c3C(C)=C2C)c1OC"]
["170594445","[B+]=C1[CH-]C(N)=C(F)C(C)=C1Cl"]
["173079858","[B+]=C1C=c2cc(C)c(=[B+])cc2[CH-][C-](C)C1"]
["184732919","CC.[B+]=C1C=Nc2c(Cl)c(C)[n-][n+]2[CH-]1"]
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["191557653","CC(C)COc1cc(F)cc(-c2ccc(C(=O)CS(=O)(=O)N3CC4C[C@H]3CO4)c(N3C[C@@H](C)CC3(C)C)n2)c1"]
["149055943","CCC1CN(CCNC2C=C(C)C=C(N=c3ncn(-c4cc(F)cc(F)c4)[nH]3)C2F)CCO1"]
["149139582","CCCOc1ccc(C2C(c3cccc(C)c3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1OC"]
["MCULE-5031826641","Cc1cc(F)cc(-c2cc([N+](=O)[O-])ccc2C(=O)N2CCN(C(C)(C)C)CC2)c1"]
["MCULE-5000565230","COc1cc(N=C(O)C2COc3ccccc3O2)ccc1-c1cc(C)cc(F)c1"]
["MCULE-9336099763","CCCOC1CCCN(C(=O)c2cccc(C)c2-c2cc(C)cc(F)c2)C1"]
["MCULE-5457704682","Cc1cc(F)cc(-c2cc(N=C(O)C3CN(Cc4ccccc4)CCO3)cnc2C)c1"]
["MCULE-1600997621","COC1CN(C(=O)c2ccc(C)c(-c3cc(C)cc(F)c3)c2)C1"]
["32611913","Cc1cccc(-c2cc(F)cc3c2OC(CN)C3)c1"]
["MCULE-3497750512","Cc1cc(F)cc(-c2c[nH]ccc2=NC(=O)c2ccc(F)c(C)c2)c1"]
["MCULE-7614373613","Cc1cc(F)cc(-c2cnc3c(c2)CCN3C(=O)c2cccc(F)c2F)c1"]
["200317361","C1=C2[b-]3c4[c-](oc5c3c(c3o[c-]6c([b-]7c8[c-](oc5c73)N=CC(n3cccn3)=C=8)=C=C(n3cccn3)C=C6)OC2=[N+]=CC=1n1cccn1)C=CC(n1cccn1)=C=4.[Pt+2].[Pt+2]"]
["175234414","c1cnc(-c2nccc[n+]2-c2ccnc(-n3cccn3)c2)nc1"]
["169080452","CCOC1=C(C#N)C(c2cc(C)cc(C)c2-n2cccn2)C(C#N)=C(N)O1"]
["86391258","CCN(CC)CCOc1nc(=NC)nc(-n2cccn2)[nH]1"]
["193376103","c1cnn(-c2ccc3c(c2)B2c4cc(-n5cccn5)cnc4Oc4c5c6c(c(c42)O3)Oc2ncc(-n3cccn3)cc2B6c2cc(-n3cccn3)ccc2O5)c1"]
["174896207","C1=NCOc2c1cccc2Cc1ccc(-n2cccn2)cc1"]
["63308292","CC1CCCCC1N(C)c1nc(Cl)nc(-n2cccn2)n1"]
["92451907","ClCc1cnc(-n2cccn2)nc1"]
["62229014","Cc1cccc2c1=NC1=C(c3ccccc3-n3cccn3)NC3=CC=C(F)C=2N31"]
["177013182","Cc1ccc(N2CC(N(C)S(=O)(=O)c3ccc(-n4cccn4)cc3)C2)nn1"]
["125281677","CC(NS(=O)(=O)c1ccc(F)cc1F)c1cccc(-n2cccn2)c1"]
["93268755","FC(F)CN=c1nc(Cl)nc(-n2cccn2)[nH]1"]
["175928430","CC.CC1/C=C(/c2nnc(C3=NC(C4=NC=CCC=C4)=C=CC=C3)o2)C=C=CC/C2=C(/C=C=C(c3nnc(-c4cccc(C5=C=CC=CC=N5)n4)o3)C=CC2)C1(C)C"]
["179688568","CCC12CCC(CN=C(O)[C@]3(O)C4N(C)c5cc(OC)c([C@@]6(C(=O)OC)CC7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)cc5C45CCN4CC=C[C@](CC)(C45)[C@H]3O)(CC1)CC2"]
["175921213","C1=CC=CC=C(C2=C=CC=CC(C3=C=Cc4c5c(n(C6=C=CC=C(C7(C8=CC=C(n9c%10c(c%11cc(-c%12cccc(C%13=CCCC=C=C%13)n%12)ccc%119)C=C=CC=C%10)C=C=C8)CCCCC7)C=C6)c4C=C=C3)C=CC=C=C5)=N2)C=1"]
["29887787","c1ccc(-c2cccc(-c3nnc(-c4cccc(-c5nnc(-c6cccc(-c7ccccn7)n6)o5)c4)o3)n2)nc1"]
["81679075","CC(C)(C)C(=O)[C-]=C(O)C(C)(C)C.Cc1ccc(-c2nnc(C3=C=CC(C)C=C3)o2)cc1.[Ir]"]
["150401361","CC1CCC(Oc2cccc(C(=O)O)c2)CC(CCC(=O)c2ccccc2C2CN=CC=NC2C)C1"]
["94556347","Cc1cccc(-c2nnc(I)o2)n1"]
["151797731","CC[C@]1(O)C[C@H]2CN(CCC3=c4ccccc4=N[C@@H]3[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C2)C1"]
["177306040","Cc1c(CN=C(O)[C@H]2CC[C@@H](O)[C@H](N=c3cc[nH]c(=N)[nH]3)C2)oc2ccccc12"]
["78367725","C1=CC=CC=NC=1C1=CC(c2ccc3c4ccccc4c4ccccc4c3c2)=CC(c2ccc3c(c2)Sc2ccccc2S3)C1"]
["168245012","CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)C3=NC(=O)C(Cc4ccc(-c5cccc(N)n5)s4)O/N=C(\\CO[C@@H]([C@@H]3C)[C@]1(C)O)CO2"]
["175204418","C=C/C=C(\\C=C(/C=C)c1nnc(-c2cccc(C3=NCCC=C3)n2)o1)c1nnc(-c2cccc(-c3ccccn3)n2)o1.CC"]
["172433943","C[O+]=[Si+]CCCSN(SC)C([O-])=S=S=S=S=C([O-])N(SC)SCCC[Si-]=[O+]C"]
["25542132","CCCCSN(C)C(=O)Nc1cc(C(C)(C)C)no1"]
["45431155","C=COC(=O)C[Si-]=[O+]C"]
["171049661","CCN(CC)CCCCCCN=CO[Si-]=[O+]C"]
["65660252","C#COC(=O)CCNCCNCC[Si-]=[O+]C"]
["182130115","C[O+]=[Si-]CCCOc1cccc(C(=O)c2ccccc2)c1O"]
["99551881","CCC(OC(C)OC)[O+]=[Si-]CCCSSCCC[Si-]=[O+]C(CC)OC(C)OC"]
["46235744","C[O+]=[Si-]CCCN=C(C)CC(C)C"]
["46529412","COCOC[O+]=[Si-]CCCSSCCCOCO"]
["26588426","CCCCc1nn(C(SC)C(=O)N(SC)SC)cc1Br"]
["172364975","CCO[Si](CCCSN(SC)C(=O)SSSSC(=O)N(SC)SCCC[Si](OCC)(OCC)OCC)(OCC)OCC"]
["99460182","C[O+]=[Si-]CCCCCC1CO1"]
["79075713","Nc1cc(C23CC4CC(C2)CC(C25CC6CC(CC(C6)C2)C5)(C4)C3)c(Oc2ccc(C34CC5CC(C3)CC(C36CC7CC(CC(c8ccc(Oc9cc(O)c(N)cc9C9%10CC%11CC(C9)CC(C9%12CC%13CC(CC(C%13)C9)C%12)(C%11)C%10)cc8)(C7)C3)C6)(C5)C4)cc2)cc1O"]
["68174237","COc1ccc(N2C(=O)CSC2c2ccccc2N=C(O)C23CC4CC(CC(C4)C2)C3)c(OC)c1"]
["176727640","CC1CCC(c2ccc(-c3ccc(Oc4ccc(N)cc4N)cc3)cc2)CC1"]
["MCULE-9771275354","COc1ccc(-c2cc(F)c(C(O)=NC34CC5CC(CC(C5)C3)C4)c(F)c2)c(OC)c1"]
["62226523","O=C(O/N=C\\c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccccc1"]
["24150035","COc1ccc(NC(=S)C23CC4CC(CC(C4)C2)C3)cc1"]
["151037220","CCOc1cc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)ccc1OCc1ccccc1"]
["175337275","CC1(C)Cc2ccc(N)cc2C1(C)c1ccc(N)cc1"]
["MCULE-5007889037","COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C13CC4CC(CC(C4)C1)C3)CCO2"]
["49430257","Nc1ccc(OC2C3CC4CC(Oc5ccc(N)c(O)c5)(C3)CC2(C#Cc2ccccc2)C4)cc1O"]
["85798096","CCOc1cccc(C2(N)CC(C)CC(C)(C)C2)c1"]
["51219935","O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1"]
["177173424","OC1CCCCC1C1=[NH+]C2CCCCC2S1.[O-]C1CCCCC1C1=NC2CCCCC2S1.[Sr+2]"]
["156618690","COc1ccc(Br)cc1N=C(O)N1CC(O)=N[C@H]2CCCC[C@@H]21"]
["47142638","N=C(S)C1CCCCC1O"]
["143613104","Cc1ccc(N=C(O)N(C)CC2CCCCC2O)cc1Br"]
["141571328","Cc1nc(Br)ccc1N=C(O)N(C)CC1CCCCC1O"]
["106159825","O=[N+]([O-])c1ccc([C@H]2CCCCC[C@@H]2O)cc1"]
["56765800","OC1CCCCCC1c1ncc[nH]1"]
["53933195","Nc1cccnc1SC1CCCC1O"]
["95879628","CN(c1ccnc(NN)n1)C1CCCCC1O"]
["184517449","C1=C(c2ccccn2)SC2CCCCC12"]
["192359015","CC(=O)O[C@@H]1CCC[C@H]1c1ccccc1.O[C@H]1CCC[C@@H]1c1ccccc1.O[C@H]1CCC[C@@H]1c1ccccc1"]
["180712804","NC1N=C(c2ccccc2)C2CCCCCC2N=C1O"]
["173994962","[B+][C@@H]1O[C@H](COOC2C(C(C)(C)CS[P-][O-])[C@H]([B+])O[C@@H]2C(C)(C)C)C(N(C)C)C1N(C)C"]
["190999573","CC(C)(C)C1OC(C(C)(C)C)C(C(C)(C)C)C1C(C)(C)C.CC(C)(C)N1/C=C\\N(C(C)(C)C)CCN(C(C)(C)C)CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CCN(C(C)(C)C)CCN(C(C)(C)C)CC1"]
["92755453","CCSc1cccc(N(C)CCC(N)C(C)C)c1C#N"]
["97312211","CCCC[C@@H]1C=C[C@@H](OC)O[C@@H]1COO[Si](C)(C)C(C)(C)C"]
["96858989","CO[C@@H]1[C@H](OC)[C@@H](Sc2ccccc2)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC"]
["70472102","COCOC1CC(=O)OC(C)C1N(C)C"]
["173836667","[B+][C@@H]1O[C@H](COC)[C@H](OP([O])[O-])C1OCCC[NH3+]"]
["26067467","Cc1cn([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@]2(O)CCON(C)C)c(=O)nc1O"]
["110970637","CCC1OC(C(C)(C)C)C(OC)C(OC2OCC(C)C(O)C2O)C1O"]
["25527304","COC[C@H]1O[C@@H](C)[C@H](C)C1C(C)(C)P(C)(=O)N(C)C(C)(C)C1O[C@@H](C)[C@H](C)C1OC"]
["90772494","COC1C(COC2CC(O)C(N(C)C(=O)OC(C)(C)C)CO2)OC(O)C(O)C1O"]
["MCULE-9679809930","CC(C)(C)C1CCN(C(=O)CSCc2ccco2)CC1.Cl"]
["161367095","C[N+](C)(c1ccc(C2(F)C=CC(F)C(F)(F)C2(F)F)c(C2(F)C=CC(F)C(F)(F)C2(F)F)c1C1(F)C=CC(F)C(F)(F)C1(F)F)C1(F)C=CC(F)C(F)(F)C1(F)F"]
["155979058","CC[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21"]
["156007770","CC[C@@]1(c2ccsc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21"]
["MCULE-5795367692","COc1nccc(-n2nc(CBr)c3c2CCC3C)c1F"]
["155851587","C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(CBr)cc2)N1"]
["144855058","CC1Cc2ccc(C3(N)CCC3)cc2C1"]
["155908726","C/C(=C\\[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C"]
["155894118","Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F"]
["156003207","C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cccc(O)c32)N1"]
["155852923","C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CBr)C3(C)C)N1"]
["182693035","[B+]C1(F)C(F)(C2=CC=[B-]=C2c2cc3ccccc3[nH]2)C=CC(F)C1(F)F"]
["155977828","C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(Cc2ccccc2)N1"]
["70007555","C1=C[NH+]2[CH-]c3cccc(c3)C[NH+]3C=CN(Cc4cccc(c4)CN1[CH-]2)C3"]
["145702977","C1=CC2=[Si-]Cc3cccc(c3)C[Si](c3ccccc3)(c3ccccc3)C(=C2)[CH+]1"]
["17165522","CC[C@H]1CCCCN1C(O)=N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1"]
["103063640","O=[N+]([O-])c1c2cccc1CSCc1cccc(c1)CSC2"]
["165851616","N=C(O)[C@H]1Cc2ccccc2CN1c1cc(Cl)[nH]c(=N)n1"]
["54341055","O=C1CCc2cncn2Cc2cccc(c2)Oc2cccc(c2)C2CCCN1C2"]
["MCULE-3984923415","COc1cc(C=CC(O)=NCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc(Br)c1OC"]
["151998269","Cc1cc(NC[C@](O)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ccc1CN=C(O)C1CC1"]
["4076030","COc1cccc([NH+]=C(O)CN(C)C(=O)CN2C[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c1"]
["MCULE-8067340501","O=c1cc(-c2c(F)cccc2I)[nH]c2c(I)cnn12"]
["165206623","N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCCOc2ccc(-c3cccnc3)cc2Cc2cccc(c2)C1"]
["117001258","Cc1ccncc1N=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccn1)CCOCCO2"]
["91001762","CC1=C(C)SC2=C(S1)SC(=C1Sc3[s+]c(C)c(C)[s+]c3S1)S2"]
["69608224","C=CC=c1sc(=C)c2c1SC(=C1SC(C)=C(C)S1)S2"]
["26410100","C=C1[N]N=C(C)S1"]
["33181905","CC1(C)O[C@H]2CSC3=C(SC[C@@H]2O1)SC(=C1SC2=C(SC[C@@H]4OC(C)(C)O[C@H]4CS2)S1)S3"]
["26582326","CC1=C(C)N2C=C=N[C]2S1"]
["84068339","CC1=C(C)SC(=C2Sc3ccccc3C2=O)S1"]
["180653753","CC1=IN=C(c2ccc(C)s2)O1"]
["97209594","CC1=C(C)SC(=C2SC(C)=C(c3cncnc3)S2)S1"]
["167182397","CC(C)=C1SC(C)=C(C)S1"]
["100852991","CC1=C(C)SC(c2sc3c(F)c4sc(C5SC(C)=C(C)S5)[s+]c4c(F)c3[s+]2)S1"]
["68530965","Br.Br.Cc1ccccc1C"]
["183598222","Cc1ccccc1-c1ncsc1C(=N)O"]
["189886919","CN1[CH-][CH-][N+](=[B-]2[N-]B(OB3[N-][B-](=[N+]4[C-]=CN(C)C4)N[B+]N3)N[B+]N2)[CH-]1.[Pt+4]"]
["107679477","CN1CC[C@H](CN)[C@@H]1C1=CN2CCN=C2N1"]
["174738529","CC[O+]=[Si]=[N+]1[C-]=CN(C)C1.[Cl-]"]
["180088849","CN1CCC[C@H]1COC1CC(N=C=S)=CC=C1Cl"]
["168497900","CN1C=[C-][N+](=[B-]NC(C)(C)C)C1"]
["58897219","CN1C=[C-][N+](=Bn2cc[n+](C)c2)C1"]
["196578097","CC1(OC(F)F)Cc2c([nH]c3cccc(-c4ncccc4OC4CCN(CCCF)C4)c23)CN1CC(F)(F)F"]
["187163435","CN1C=[C-][N+](=c2ccc3ccccc3[n-]2)C1.CN1C=[C-][N+](=c2ccc3ccccc3[n-]2)C1.[Au+3]"]
["199173820","C[Si](=[O+]C1=C([O-])CCC1=c1ccc2c(c1)CCCC(=C1C=CC(Cl)=C[C]1Cl)C=2c1ccc(O[C@H]2CCN(CCCF)C2)cc1)C(C)(C)C"]
["171930437","CB1N(C)[B-](C)=[N+](C)[CH-]N1c1n[n-]cc1C.[Pt+2]"]
["102976810","CC1CN(CCN)CCNC=C2C=C(Cl)C=C(C=NCCN(CCN)C(C)CN(CCN)CCNC=C3C=C(Cl)C=C(C=NCCN1CCN)C3=O)C2=O"]
["47966839","CC1C(=[N+]2[C-]=CN(C)C2)C2=C=CC=C=C2N1C.[Ir]"]
["168907501","CC1(C)Oc2ccccc2C(C)(c2ccc3c(c2)c2cc[cH+]c4/c2=c2\\c(cc[cH-]c2c2ccccc23)c2ccccc2c2ccccc42)Oc2ccccc21"]
["200306588","[2H]C([2H])([2H])C1(c2ccccc2)Oc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2-c2ccccc21"]
["169920195","CC[C@@]1(CCCCc2ccc3c(c2)[C@@H](C)CC(C)(C)O3)CC(=O)N([C@@H]2CC(F)(F)c3ccc(C(=N)O)cc32)C(=N)N1"]
["170004619","c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cccc4c3sc3ccccc34)c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4ccccc34)cc21"]
["145496132","CC1(C)c2ccccc2-c2c1c1cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1"]
["169604226","CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cc5ccccc5c5ccccc45)cc3)cccc21"]
["61996199","O=C(CSc1cc(F)ccc1F)c1coc2ccccc12"]
["199767008","CC1(C)c2ccccc2-c2cc3ccc4cc(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)ccc4c3cc21"]
["91666788","Cc1ccc2c(c1)C(C)(c1ccccc1)OC(=O)O2"]
["103076149","CC1=CC[C@@]2(C=O)c3ccccc3O[C@H]2C1"]
["26646299","CC.CC1(C)CC(C)(C)c2ccccc2O1"]
["44486396","CN1c2ccc3ccccc3c2C(C)(C)C12C=Nc1c(ccc3ccccc13)O2"]
["174066749","[B+]=C1C(=[B+])C(=[B+])C([C-]2[N-][C-](C3=C(O)C(=[B+])C(=[B+])C(=[B+])C3[O-])[N-]C([c-]3c(=[B+])c(=[B+])[c-]4[c-](c3=[B+])[c-]3c(=[B+])c(=[B+])[c-]([O-])c(=[B+])[c-]3[c-]3c(=[B+])c(=[B+])c(=[B+])[c-]([O-])[c-]34)[N-]2)C(=[B+])C1=[B+]"]
["173746638","[B]=C1C(Cl)C(=[B+])C(=[B])C(C([B+])([B+])[B+])C1[c-]1c(=[B+])[n-][c-](C([O-])=NC(=[B+])C(=O)O)[c-]([O-])c1=[B]"]
["176179678","[B+]=C1C(=[B+])C([O-])C(=[B+])C(O)=C1N1[C-]=C(C(F)(F)F)C=C(O)C1[O-]"]
["174036335","[B+]=C1C(=[B+])C([O-])C(=[B+])C(C([O-])OCCCC[O-])=C1O"]
["176381586","[B]=C1C(=[B+])C(=[B+])C(F)C(=[B+])C1[c-]1c(=[B+])[n-][c-](C([O-])=NC([B+])C(=O)O)[c-]([O-])c1=[B+]"]
["176381482","[B]=C1C(=[B+])C(=[B+])C(Cl)C(=[B+])C1[c-]1c(=[B+])[n-][c-](C([O-])=NC([B+])C(=O)O)[c-]([O-])c1=[B+]"]
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["174764823","CC1(C)C=CN=N1.Cl"]
["150684727","CC1(C)/C=C\\N=C/C(C)(C)/C=C\\1"]
["82365847","C1=COCC=NN=CN=NC=COC1"]
["198318857","CC(C)C1(C)C=NON1"]
["173374821","CC1(C)/C=C\\C=C=CN=N1"]
["170730748","CC(C)C1=NC(C)(C)C=NO1"]
["179556661","CC[C@@]1(C)N=CC1(C)N"]
["175108447","CC.Cc1ccc(C)c2c1C=CC(C)(C)C=N2"]
["162002199","CC1c2cc3c(o2)C1(C)N=C3O"]
["173927386","CC1(C)C=NN=C(O)O1"]
["161825918","CC1C=NC(C)(C)N1C"]
["170465940","C1CN=P2(N=P3(NCCCO3)NP3(=N2)OCC2(COP4(=NP5(=NP6(=N4)NCCCO6)NCCCO5)OC2)CO3)OC1"]
["97229461","CN1CCCNP12=NP1(=NP3(=N2)OCC(F)(F)C(F)(F)C(F)(F)CO3)OCC(F)(F)C(F)(F)C(F)(F)CO1"]
["724578","CCCSP1(=S)NCCCO1"]
["81029466","O=C1N=C(O)C(F)CN1C1CC(O)C(C(O)P2(=O)NCCCO2)O1"]
["172804009","O=P1(c2ccc(Cl)cc2)NCCCO1"]
["199378697","FC1(F)COP2(=NP3(Cl)=NP(Cl)(=N2)OCC2(CO3)COP3(Cl)=N[P+]4(NP(Cl)(=N3)OC2)OCC(F)(F)C(F)(F)CO4)OCC1(F)F"]
["101037384","C1=CC(CN2CCCCN(CC3C=CC=C3)P23=NP2(=NP4(=N3)NCCCO4)NCCCO2)C=C1"]
["91554327","N=c1nc(N=C(O)CCP2(=O)OCC3(CO2)COP(=O)(CCC(O)=Nc2nc(=N)[nH]c(=N)[nH]2)OC3)[nH]c(=N)[nH]1"]
["46323314","S=P1(Cl)NCCCO1"]
["54207018","O=C(CBr)C1=CC=NC1(CCBr)P1(=O)NCCCO1"]
["52310311","CSP1(=O)NCCCO1"]
["161009178","CCCC1(NC(O)=NC2CCCCNC2)CCOC1"]
["23068094","C1=Cc2[o+]c1ccc1[o+]c(c3ccc(ccc4ccc2o4)o3)C=C1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]"]
["173907365","CCOc1c(CCC(O)=NO)c(=O)oc2ccc(C)cc12"]
["170790295","CC.CC.Cc1ccc2oc3ccc(F)cc3c2c1"]
["101047246","c1cc2cc(c1)oc1ccc(cc1)n1ccc(cc1)c1cc[n+](cc1)c1ccc(cc1)[o+]c1cccc(c1)[o+]c1ccc(cc1)[n+]1ccc(cc1)c1ccn(cc1)c1ccc(cc1)o2"]
["120717331","CN(CC1(CO)CC1)c1ccc2nc(O)oc2c1"]
["89097139","Cc1ccc2oc(CC(=O)Cl)c(C)c2c1"]
["94994388","Cc1ccc2oc(C(N)CSC3CCCC3)cc2c1"]
["66581818","Cc1ccc(CC(Cl)c2ccc(C)o2)nc1"]
["74879084","Cc1ccc2oc(C3CN3)cc2c1"]
["101739051","O=c1oc2ccc(-c3ccc4oc(=O)oc4c3)cc2o1"]
["61549137","CC(C)(C)C1=CC(=CC=Cc2cc(C(C)(C)C)[o+]c(C(C)(C)C)c2)C=C(C(C)(C)C)O1.[O-][Cl+3]([O-])([O-])[O-]"]
["128059712","C=CC1CCN(Cn2c(=S)oc3ccc(S(=O)(=O)CC)cc32)CC1"]
["169738853","Cn1cc2cc(-c3ccc4nc(C5=CC6(CC6)NCC5)ccc4n3)c(O)cc2n1.Cn1cc2ccc(O)cc2n1"]
["75166209","CC(C)c1cc(-c2nnc(S)n2-c2ccc3c(c2)CCN3CCN)c(O)cc1O"]
["155546822","CN1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1"]
["104796065","N#C[C@@]1(N2CCCNCC2)COc2cc(O)ccc21"]
["91289490","O=C1c2ccccc2C(=O)C1(O)c1c(O)ccc2ccc(O)cc12"]
["MCULE-3551301206","COCc1ccccc1-c1cn(C)nc1C(=O)N1CCC(N2CCCCC2)CC1"]
["MCULE-5024898063","Cc1ccc(-c2nc3ccc(C(O)=Nc4cccc5c4CN(C4CCC(O)=NC4=O)C5=O)cc3o2)cc1"]
["134960173","CN1CCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)C2(CCCCC2)C1"]
["200112831","Brc1ccc2nn(C3CCNC3)cc2c1"]
["88987091","COc1cc2c(cn1)C(=O)CCN2"]
["MCULE-4829190841","COC(=O)c1ccc(OC)nc1-c1ccc2cn(C)nc2c1"]
["152015817","C[C@@H](Cc1ccsc1)n1cnc2cn(C)nc2c1=O"]
["184758573","N[Cl+]C12CC([N-][C-]3N=CC=CN3)(C1)C2"]
["156317613","NCCN1CCC(c2cnc[nH]2)CC1"]
["182840321","NC1(N2CC3CCC(C2)O3)N=CC=CN1"]
["175955040","CC1(C)CC=NC(N)C1"]
["195929118","C=C(N)c1ccnc2c1=CCNN=2"]
["108990922","C1=CN[C@@H]2C[C@H]2N/C=C\\C=N[C@@H]2C[C@@H]2N=C1"]
["173312861","C1=CC2CC23NC=NC3=C1"]
["190717031","N[Cl+]C12CC(C[C-]([O-])COC3CC(OC(F)(F)F)C3)(C1)C2"]
["42876515","COC(=O)C1(Cl)N=CC=CN1"]
["106826623","C1=CN[C@@H]2C[C@@H]2N/C=C\\C=N[C@@H]2C[C@@H]2N=C1"]
["95553776","CN=c1nc2c(c[nH]1)C(C)(C)CC(C)(C)C2"]
["101148626","C1=C\\NCC/N=C/C=C\\NCC/N=C/1"]
["26972813","C1=C(OC2=CO2)O1"]
["197369862","Cc1cc(C(C)ON)on1"]
["173343596","COC1=C(OC)C(O)CC=C1"]
["48016953","COCc1coc2ncccc12"]
["26745479","O=C1N=COC1=O"]
["25417661","CC1=COC=C(C)C1"]
["98196070","FC1=COC=C(Cl)O1"]
["91221011","C1=CC=CC=Cc2cocc2C=CC=C1"]
["78960548","[CH2]Oc1ncco1"]
["99502183","CC=C1C=CC(C2=CC(CCO[Si](C)(C)C)=CC2)=C1"]
["178640790","C=C1C=C(C)OC=C1OC"]
["175016380","SC1=COOC1"]
["181279014","[N-]=[N+]=NC1(Cl)NC(Cl)(Cl)C2(Cl)NC(Cl)(Cl)NC2(Cl)N1"]
["182103253","Cc1ccsc1C(O)=NC1(N=[N+]=[N-])C=CC=NC1"]
["182521799","N#CC1(N=[N+]=[N-])CCS(=O)(=O)CC1"]
["185846652","[N-]=[N+]=NCCC(F)(F)C(F)(F)Cl"]
["183139426","[N-]=[N+]=NC1(C2CCCCC2)CCCCC1(C1CCCCC1)C1CCCC1"]
["181063849","CC1CCCCC(C)C1(C)N=[N+]=[N-]"]
["182447558","COC(=O)SSC1=CC(Cl)(N=[N+]=[N-])C(F)C=C1"]
["181442057","CCOC1(N=[N+]=[N-])C=CC=CN1"]
["182167989","CCC1(C2CC2(N=[N+]=[N-])C(F)F)CC1"]
["183134674","CC1(C)NC1CC[C@@]1(C)O[C@H]1N=[N+]=[N-]"]
["181105115","CC1=CC(N(C)C)=CC(C)C1(CCN)N=[N+]=[N-]"]
["181234002","CC(C)(C)C1CCC1(CO)N=[N+]=[N-]"]
["191482481","CC(=C1C(=O)C(C(C)=C2N(C)c3c(C)c(C)c(C)c(C)c3C2(C)C)=C1[O-])C1=[N+](C)c2c(C)c(C)c(C)c(C)c2C1(C)C.CC1=C(C)C(=[N+](C)C)C(C)=C(C)C1=C1C(=O)C(c2c(C)c(C)c(N(C)C)c(C)c2C)=C1[O-].Cc1c(C)c2c(c(C)c1C1=C([O-])C(=c3c(C)c(C)c4c(c3C)C(C)(C)C(C)[N+]=4C)C1=O)C(C)(C)C(C)N2C"]
["186009590","[C-]#[N+]C(C#[NH+])=C1C(=c2c3c4c(c5c2=C(N)CC=C=5)N(C)CN(C)C4=C[CH-]C=3N)C(=O)C1=c1c2c(N)cccc2c2c3c(ccc(N)c13)N(C)C[N+]=2C"]
["60947421","CC1N(C)c2cc(N(C)C)c(C3C(=O)C(=c4cc5c(cc4N(C)C)=[N+](C)C(C)C5(C)C)C3O)cc2C1(C)C"]
["52916177","Cc1c(C)c(C)c2c(c1C)N(C)/C(=C/CC=CC1=Nc3c(c(C)c(C)c(C)[n+]3C)C1(C)C)C2(C)C"]
["194319204","CC(=C1C(O)=Nc2c(C)c(C)c(C)c(C)c21)c1c(C)c(C)c(C)n1C.CC(=O)N1C(=O)C(=C(C)c2c(C)c(C)c(C)n2C)c2c(C)c(C)c(C)c(C)c21.[V]"]
["196496344","CC1=C(C)[N+](CCN(C)N2CCCC2)=C(C)C1=C1C(=O)C(C2C(C)=C(C)[N+](CCN(C)N3CCCC3)=C2C)=C1[O-]"]
["169986906","CC(=C1C(=O)C(C(C)=C2N(C)c3c(C)c(C)c(C)c(C)c3C2(C)C)=C1[O-])C1=[N+](C)c2c(C)c(C)c(C)c(C)c2C1(C)C"]
["91708520","CC(=O)C1=C(O)C(C(C)C)[C@@]2(C)[C@H](O)[C@]3(C)C(=C(O)[C@@]2(O)C1=O)C(=O)c1c(O)cccc1/C3=C\\c1c(C)c(C)c(C)c(C)c1C"]
["191158175","C.Cc1c(C)c(C)c2c(c1C)N(C)C(=CC=CC1=[N+](C)c3c(C)c(C)c(C)c(C)c3C1(C)C)C2(C)C"]
["199202452","CCCNC[C@]1(O)[C@H](C)OC(O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)S(=O)(=O)c4nccn4C)[C@H]3Oc3c(C)cccc3F)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC"]
["190516859","CC(=O)N(C)c1cc2c(cc1C1C(=O)C(=c3cc4c(cc3N(C)C(C)=O)=[N+](C)C(C)C4(C)C)C1O)C(C)(C)C(C)N2C.O.[OH-]"]
["196476547","CN1B(c2ccccc2)N(C)c2c(C3=C([O-])C(=c4ccc5cccc6c5c4=[N+](C)B(c4ccccc4)N6C)C3=O)ccc3cccc1c23"]
["174766762","[B+]=C1C=C=C([N-]C2=CC(N3CCCC3)=NC[NH2+]2)C=C1.[HH]"]
["73533227","C1=C[N]C=C(N2CCCC2)N=1"]
["20644623","COc1ccc(-c2n[nH]c(N=C([O-])c3ccc(N4CCCC4)nn3)n2)cc1"]
["MCULE-2956846866","CCN(C)C(=O)c1cnc(N2CCCC2)nc1"]
["145894838","CN(CCC(=O)O)C(=O)COc1cccc(N2CCCC2=O)c1"]
["111720642","Nc1cc(N2CCN3C(O)=NCC3C2)sn1"]
["17733651","C[C@H](CCN(C)C)[NH2+]C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1"]
["77931848","O=C1C=CN=C2N=C(N3CCCC3)C(F)=CC12"]
["59268223","Clc1cccc(CNc2cccnc2N2CCCC2)c1"]
["62001942","CC1=CC2=NCC(CNCc3cccnc3N3CCCCC3)CN2N1"]
["175227041","[B+]=C1C=C=C2C(=[B+])[C-]3C=CC4=CC[CH-][CH-]C4=C3C(=[B+])C2=C1"]
["180729871","[B+]=C1C=CC(=S(=O)([O-])N2CCCCC2)C=C1"]
["195820472","N=NC1CCC(I=NC2CCC(I)CC2)CC1"]
["179772877","CC[I-]C(CC)C1CCC(I)CC1"]
["166554992","B[C@@H]1O[C@@H]2[C@H](I)[C@@H](CC)C[C@]2(I)[C@H]1F"]
["182549377","CNC1CC(N=[N+]=[N-])CCC1N"]
["23555597","CC(=CC(O)=NCCCN1CCN(Cc2ccccc2)CC1)C1CC1"]
["170192168","I[C@H]1CC[C@@H](OC2=CC(c3ccccc3)=CC3NCCCCCCCC23)CC1"]
["184189487","CC1CC(I)CCC1F"]
["179135268","OCCCC1CCC(I)CC1"]
["175049546","N=C=NC1CCC(Cl)CC1"]
["184609260","CS(=O)C1CCC(I)CC1"]
["112423787","OCC[C@@H]1CCC[C@H]1F"]
["196003287","CN1CCNC2[I-][C@@H]2CC1"]
["178519749","[C-]1=C2CCC[C-]2CC2[I+]SNC12"]
["87925727","C1CN=C2SNN=C2C1"]
["100188729","C=C1CCC2SNNC2C1"]
["180141564","C1CC2=I[C-]2C1"]
["113488913","N#Cc1sc(=NCC2CCCCS2)[nH]c1Cl"]
["184208152","CCCC1I=S=C2CCCC[C-]21"]
["131313764","CN(CC1CCC1)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl"]
["181853595","CC1=C=C2CCCC[C-]2C1.[Ti]"]
["184228494","COC1=C=C2CCC[C-]2C[C-]1C[I+]C"]
["94660455","CC1(NC2=NCCCS2)CC1"]
["163111588","CC1NSC2CC(C=O)N=C(O)C12"]
["88693824","CC1CCSC(=NCC2CCCCS2)N1"]
["179710160","C1=C2CC3=C4C5c6cc7ccc6-c6ccc(c[n+]65)CCCCCCc5c2c1c(c[n+]53)CCCCCCc1ccc2c(c1)C4[n+]1cc(c3ccccc3c1-2)CCCCCC7"]
["178954874","c1ccc2c(c1)-c1cccc[n+]1C1CC[n+]3ccccc3-c3cc4c(cc3CC21)-c1cccc[n+]1CC1C(CC4)c2ccccc2-c2cccc[n+]21"]
["161911703","N=C(N)Nc1ccc(-c2ccc3cc2CCCCC3)cc1"]
["10119169","CN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc2c(c1)COC2"]
["12413502","COc1ccccc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2"]
["28011500","Cc1cc(C)cc(-n2c3c(c4cccnc42)CCNC3c2ccccc2F)c1"]
["192014459","Cc1c(C)[n+]2c(c3ccccc13)-c1c(ccc3c1-c1cccc[n+]1CC3)CC2.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]
["MCULE-3464475365","COCc1ccc(-c2ccc(C(=O)N3CCc4cccnc43)c3ccccc23)cc1"]
["194833282","O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@H]1C(CNc2ccc[nH]2)=Cc2[nH]ccc2[C@@H]1C[C@@H]1C=Cc2c(O)cccc2CC1"]
["177044488","CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccccc1-[n+]1ccn(-c2c(C(C)C)cccc2C(C)C)c1C1=CC2=C(C=CCC2)C1"]
["155715926","COC(=O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3"]
["196490958","Cc1c2c(c(C)c3ccccc13)N(C)c1cc(C3CCCCC3)cc3cc[n+](C)c-2c13"]
["81444935","[CH2-]CC[CH+]C1C[Xe-2]CC1[CH2-].[Yb+3]"]
["48677834","[Br-].[CH2-]CCC1OCCO1.[Mg+2]"]
["25498399","[CH2-]CC(C)C[CH+]C(C)C"]
["51330141","[CH2-]CCC1[CH-]NCC1.[Y]"]
["43838930","[CH2-]CC1CNCC1[CH2-].[Y]"]
["65264936","[CH2-]CCC1[CH-]CCNC1.[Y]"]
["79061954","[CH2-]CC[CH+]NC"]
["24961268","[CH2-]CCCCC[CH+]C1CCCCC1"]
["51303129","[CH2-]CCC1[CH-]CCCN1.[Y]"]
["178310490","[CH2-]CCC[CH+]C1CCCCCC1.[H].[Tl]"]
["177953373","[CH2-]CC[CH+]NC(CC)CCC"]
["46212677","[CH2-]CCC1[CH-]CNCC1.[Y]"]
["103010906","COC(=O)[C+]=C(C(=O)OC)/C(C(=O)OC)=C(/C=C/C(C(=O)OC)=C(\\C(=O)OC)C(=C=C(O)OC)C(=O)OC)C(=O)OC"]
["32761125","COC(=O)C([N+]#N)=C([O-])OC(C)(C)C#CBr"]
["185394088","COC(=O)C=CCC=CCC=CC(=O)O"]
["91045866","COC(=O)C(C(=O)O)=C1c2ccccc2Oc2ccccc21"]
["78660671","COC(=O)C(CC(=O)OC=S)SP(=S)(OC)OC"]
["111613982","CCC(C)CC(C)NC/C=C(/C)C(=O)OC"]
["168716540","COC(=O)C([N+]#N)=C([O-])NCC(=O)c1ccccc1"]
["171733038","COC(=O)C(=S)Cl"]
["90821373","C=C(C(C(=O)OC)=C(OC)OC)C(C)O[Si](C)(C)C(C)(C)C"]
["42074678","COC(=O)/C(=C/c1ccc(C)c(OC)c1)C(=O)C(C)=C(C)C"]
["SN0467396-02","CCCCCC(=O)C(Br)/C=C(/Br)C(=O)OC"]
["169927025","COC(=O)/C(C)=C\\C=C\\N1CCOCC1"]
["173025150","[C-]1=C2CNCCOC[I+]OCCOCCNC[C-](C1)N2"]
["192645084","C1COCCN1.CC(=N)O"]
["68637591","C1COCCN1.CC(C)N=C(O)NS(=O)(=O)c1ccc(Cl)cc1"]
["161675633","C1COCCN1.S=PS"]
["92659812","Oc1nc(C2CCOCC2)nc2c1CCNC2"]
["174793332","C1COCCN1.[Cd]"]
["78799886","C1=C2CNCCN(C2)C(N2CCOCC2)=C1"]
["97440916","Oc1c2cc(Cl)cc1CNCCOCCNCc1cc(Cl)cc(c1O)CNCCOCCNC2"]
["120585882","Fc1cc(F)c(F)c(C2CNCCO2)c1"]
["150650162","Cc1ccc2c(c1)CNCCOCCCC2(C)C"]
["62551581","C1COCCN1.OC1CCCCC1"]
["159106968","CON=C(O)[C@@H]1CNCCOC1"]
["140627257","CCc1noc(C(C)SCc2nc(CCC(C)C)no2)n1"]
["124063551","CCC(CC)N(CCOC)C(O)=NCCc1nc(C)no1"]
["69049911","CC1CCN(C(=O)CSCc2noc(C(C)C)n2)CC1"]
["146402915","CC(C)c1noc(CN(C)C(C)CN)n1"]
["52848102","Cc1nccn1CCCC(C)C.I"]
["100809935","CC[C]1C(C)=C=NN1CCCC(C)C"]
["117883396","CCCCCNC(=NC)NCc1nc(C)no1.I"]
["159683465","CCC(C)[C@H](N=C(O)N1CCCC1)C(=O)N1CCN(Cc2nc(C)no2)CC1"]
["111173914","CCCNC(c1cn(C)nc1CC)c1cccc(Cl)c1Cl"]
["10660668","CC(C)c1nc(CS(=O)(=O)Cc2noc(-c3ccccc3Cl)n2)no1"]
["165751715","CC(C)(C)c1noc(CCC(=O)N2CC3CC4CC(C3)CC2C4)n1"]
["125814713","CCOc1ccc(CCC(O)=NC(CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1"]
["99862401","O=C(CN1CC(=NO)N=C(NO)C1)CN1CC(=NO)N=C(NO)C1"]
["118842904","CN=C(NCCn1cc(C)cn1)N1CCN(CC(=O)N2CC(C)CC(C)C2)CC1.I"]
["86169486","CCCN=c1cc(C)nc(CN2CC(=O)N=C(O)C2)[nH]1"]
["148198453","CC1CCN(C(=O)Cn2ccc(O)nc2=O)C(CN)C1"]
["55290921","CC(C)(C)NC(=O)C(=O)NCC1CCN(Cc2ccccn2)CC1"]
["98924620","CC(=O)CNN=C1CCOC1"]
["175564308","O=C(NO)c1ccc2c(n1)CCN(S)C2"]
["19923666","CC[C@H](C)[C@@H](N=C(O)CN1CCc2cc(OC)c(OC)cc2C1)C(=O)OC"]
["10874000","CN(C(=O)CN1C(=O)C2(CCCCCCC2)N=C1O)[C@H]1CC[C@H](C)CC1"]
["120034166","CN=C(O)C(C)NCc1ccc(C(=O)O)c(F)c1"]
["92473308","CCOC1CC(N)(C(=O)N2CC(=O)N=C(O)C2)C1(C)C"]
["33074833","C=C(CC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C"]
["177388191","C1=Cc2[s+]c1ccc1ccc(s1)c1ccc(s1)c1ccc(ccc3ccc(s3)c3[s+]c2C=C3)s1.[Br-].[Br-]"]
["177089352","CCOC(=O)c1cc(CC)c2cc1sc1ccc(cc1)sc1cc(sc3ccc(cc3)s2)c(CC)cc1C(=O)OCC"]
["178069236","Cc1ccc2sc(N3CCC(O)CC3)nc2c1C"]
["13038589","Cc1ccc2sc(N3CCN(CC[NH+]=C(O)C(C)C)CC3)nc2c1C"]
["58019954","Fc1cc2ccc1s2"]
["199129977","Cc1ccc2sc(N3CCC(NS(C)(=O)=O)CC3)nc2c1C"]
["47322566","CCc1nc2c(C)c(C)ccc2s1"]
["74136016","c1cc2ccc1sc1ccc2cc1"]
["199736025","Cc1ccc2sc(N3CC(S)CC3=O)nc2c1C"]
["58965386","C1=Cc2[s+]c1ccc1ccc(s1)c1ccc(s1)c1ccc(ccc3ccc(s3)c3[s+]c2C=C3)s1.O=S(=O)([O-])[O-]"]
["15519204","N=c1ccc2sc(=N)[nH]c2[nH]1"]
["176659280","C=Cc1sc2ccc(-c3ccc4c(c3)-c3cc5c(cc3C4(C)C)Sc3ccccc3S5)cc2c1C=C"]
["195305964","Cc1c(I)c(C)c2c(I)c3c(c(I)c2c1I)-c1c(C)c(N)c2c4c(c(N)c(I)c-3c14)-c1c-2c(I(C)C)c2c(I)c(I)c(I)c(I)c2c1C"]
["163142964","COC(=O)c1cc(I)cc2c(N)csc12"]
["197462266","Cc1c(N)c(C)c(CS)c(C)c1I"]
["197460661","Cc1c(N)c(C)c(C=O)c(C)c1I"]
["55769522","Cc1c(I)c(N)c(I)c(C(=O)O)c1I"]
["47752715","Cc1c(Br)c(N)c(Br)c(C)c1I"]
["79161557","O=C(O)c1c(I)c(I)c(I)c2c(I)c3c(I)c(I)c(I)c(I)c3c(I)c12"]
["74588273","Cc1c(N)c(C)c(I)c(C)c1N"]
["161990527","Cc1c(I)c(I)c2c(C)c(I)c(O)c(C)c2c1I"]
["59724448","CC(=O)c1c(C)c(N)c(C)c(-c2c(C)c(N)c(C)c(C(C)=O)c2C)c1C"]
["33918826","Cc1c(I)c(C)c(-c2c(C)c(I)c(C)c(I)c2C)c(C)c1I"]
["91648071","Cc1c(I)c(N)nc(I)c1I.[Sb]"]
["42440810","[B]PCC1=[C-]C(CP[B+])=[C-]C(C[B+]P)C1"]
["151492779","COCC(=O)N1CCC[C@H]1c1nc(C)cc(-c2cncc(C(=O)O)c2)n1"]
["174654931","[B]CC1=[C-]C2C(=CC1=[B+])C(C)(C)CCC2(C)C"]
["180242439","CC1=CCCC(SCN)CC(S)=C1"]
["163657800","CCC1=[C-]C(CC)CC(CC)=C1.[Br-].[Mg+2]"]
["127755294","CC1CCCN1Cc1cc(Br)c2c(c1)OCCO2"]
["153042718","CCc1cc(-c2ncsc2CN2CCCC2C)cs1"]
["173264448","[B+]=C1[C-]=C(C(CC)c2ccc(Cl)c(Cl)c2)[CH-][CH-]C1=[B+].[Y]"]
["179794403","O=C(O)C1=C(Cl)CC(Cl)C(F)=C1"]
["53884711","COC1CCN(c2nc(C(C)(C)C)c(C(=O)O)s2)CC1"]
["3448088","CC1=C[C@@H](C)[C@H](C[NH2+]CCN2CC[NH2+]CC2)[C@H](C)C1"]
["114403634","COCc1nc(N2CCC(OC)CC2)sc1CO"]
["76239948","[1CH3][1O][1c]1[1cH][1c]([1O][1CH3])[1cH][1c](-[1c]2[1cH][1c]3[1cH][1n][1c]([1NH][1CH2][1CH2][1CH2][1N]4[1CH2][1CH2][1N]([1CH3])[1CH2][1CH2]4)[1cH][1c]3[1n][1c]2[1NH2])[1cH]1"]
["76239663","[1CH2]=[1CH][1CH2][1C]1=[1C]([1C](=[1O])[1O][1CH2][1CH3])[1C](=[1O])[1c]2[1cH][1c]([1O][1CH3])[1cH][1c]([1O][1CH3])[1c]2[1C]1=[1O]"]
["76239847","[1CH3][1CH2][1O][1C](=[1O])[1C]1=[1C]([1CH2][1C]([1CH3])=[1O])[1C](=[1O])[1c]2[1cH][1c]([1O][1CH3])[1cH][1c]([1O][1CH3])[1c]2[1C]1=[1O]"]
["170559148","C=CC[N+]1=P(NCC(C)C)(NCC(C)C)NP(NCC(C)C)(NCC(C)C)=[N+]=P1(NCC(C)C)NCC(C)C.[Br-]"]
["44171885","COc1ccc(CNCC(C)C)cn1"]
["79850614","C.CC(C)CNCC(C)C"]
["105674610","CC(C)CNCC[C@@H](C)n1cnc2ccccc21"]
["142969936","C=CCC(CO)N=C(O)CS(=O)(=O)CC(C)C"]
["93285460","C=CCCNCCCNCCC"]
["23591427","CC(C)CNN.Cl"]
["117933333","C=CCN=C(NCc1nnc(C)n1C)NCC(C)C"]
["173734234","[B]C(=C/C=C)/C(CNCC(C)C)=C(\\C=C)C(C)(C)CCCCCC"]
["111588680","C=CCN(C(C)C)C(CNCC(C)C)COC"]
["93959540","CC(C)CNCc1nc(=N)n(C)[nH]1"]
["200162666","C=C/C=C(B(O)O)\\C(=C/C=C)CNCC(C)C.CC"]
["168425105","N#[N+]N=C1c2ccc([nH]2)CC2CCC(CC3CCC(CC4CCC1N4)N3)[N-]2"]
["66054317","NS(=O)(=O)c1ccccc1NC1CC2CCC(C1)N2"]
["146225353","Cl.OC(CC1CC2CCC(C1)N2)=NCCSCc1ccccc1F"]
["28790678","Fc1cccc(-c2ccccc2)c1COC1CC2CCC(C1)N2"]
["31077062","OC(=N[C@@H]1CCCN(C2CC3CCC(C2)N3)C1)c1ccccc1"]
["43448125","CN(C(=O)Cc1ccc(O)cc1)C1CC2CCC(C1)N2"]
["146184218","COc1ccc(CCC(=O)N2CCC3CCC(C2)N3)c(OC)c1OC.Cl"]
["185480747","CC#CC1(C(O)=N[C@@H]2C[C@H]3CC[C@@H]2N3)Cc2cnccc2O1"]
["29133686","Cl.Cn1c2c(c3c(S(=O)(=O)c4cc5ccccc5[nH]4)cccc31)C1CCC(C2)N1"]
["199103529","Cc1cccc(F)c1NC1CC2CCC(C1)N2"]
["49048156","Fc1ccccc1OCC1C[C@H]2CC[C@@H](C1)N2"]
["146464469","Cc1cccc(C)c1N=C(O)CN(C)C1CC2CCC(C1)N2.Cl"]
["177246347","CCC(CC)c1c(F)c(F)c(-c2c(F)c(F)c(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C(CC)CC)C5=O)c(F)c2F)c(F)c1F"]
["133495967","CCC(C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)N(C)C"]
["51203488","CCC(CC)NN1C(=O)C(=C2Nc3ccccc3S(O)(O)N2)C(=O)c2sccc21"]
["96732842","CCCCCCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(c1ccc(C2C=CC=C2)cc1)C3=O"]
["29392509","CCOC[C@H](CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21"]
["171200911","CC[C@@H](N)c1ccc(F)c(Br)c1.Cl"]
["MCULE-4293907475","Cc1c(Cl)cccc1N1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(F)cc2F)C1=O"]
["166105842","COc1ccc(C(C)N=C(O)Cn2cc(C(F)(F)F)ccc2=O)cc1OC"]
["152258616","CCSc1nc2ccc(N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)cc2s1"]
["MCULE-4179245650","CCC(C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)C1c1cc(Cl)c(O)c(OC)c1"]
["172145464","CC(C)N1C(=O)c2ccoc2N(C)S1(=O)=O"]
["134407078","CCC(c1ccc(F)cc1F)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1"]
["195425820","C1=CC2c3cnccc3N(c3ccc(-c4ccc(-n5c6ccncc6c6ccncc65)cc4)cc3)[C@@H]2C=N1"]
["180243258","CC(C)[Si](C)=c1cccc2c1=[O+]c1c-2cccc1-n1c2ccncc2c2cc3c(cc21)C(C)(C)c1ccccc1-3"]
["30110063","O[C@H]1CCC[C@@H]1n1c2cnccc2c2cnc(N=c3ccc(N4CCNCC4)n[nH]3)nc21"]
["78673755","c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2cnccc2n3-c2ccc3oc4ccccc4c3c2)c1"]
["99906987","Cc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1cccc(C(=O)O)c1"]
["195953222","C1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)CC=C1Nc1ccccc1"]
["172356193","Cc1cnccc1CN1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1C"]
["MCULE-2112731616","COC(=O)c1c(C(F)(F)F)nn(-c2ccncc2C2CC2)c1Br"]
["174606143","CCCC(CCC)N(Cc1cnccc1C)C1=CCC(CC)C=C1"]
["175802418","Cc1ccc(-c2ccc(-n3c4ccccc4c4cccnc43)cc2)cc1"]
["198211306","CC(C)(C)N=C(O)C1CCCN(c2ccncc2Br)C1"]
["2887075","COc1ccc(-c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)c3cnccc23)cc1C"]
["150284381","CNCCN(CC(O)CC(C)(C)N)OC(CC(C)(C)N)C(NCCO)C(C(O)CC(C)(C)N)N(CCO)CCOC(CO)N(CCO)CC(O)CC1(N)CCCCC1"]
["52949454","COCC(O)CN(CCO)C1CCCCC1"]
["151504563","CNCCOc1cccc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)c1"]
["138470968","CC(C)N(CCO)CC(O)COC1CCOCC1"]
["67200069","CNCCN(C)C(=O)C1(N)CCCC1"]
["183542060","CC(O)CC1(O)CC1(NCCF)N(N=[N+]=[N-])C(N)(NCCO)NCC(F)F"]
["146522834","CN=C(NCC1(C)CCCS1)NCC1(C)CCCCC1O.I"]
["51436469","CCC(CC)N(CCO)CCOc1cccc(N)c1"]
["50469113","NC1(CNCc2cscn2)CCCCC1"]
["87747139","CC(C)CN(C)C1(C(=O)O)CCCCCC1"]
["58617808","COCC(O)CN(C)C(=O)C1(N)CCCC1"]
["82961958","CCN=C(O)C(OCn1cnc2c(N)nc(C#CC3(O)CCCCN=C3O)nc21)C(O)CO"]
["67358707","[CH-]=C1C#C[C+]=C(C)C(=O)C(=C)C(=O)C(=C)C(=[O+]C(=C)[O-])C([CH2+])=C([O+]=C)C#COC2([CH2-])OC3=C(C2=O)C2=C(C(=O)C3=C)C(=O)C(=[C]C23OCC(=O)O3)N=C1[O-]"]
["96991352","C=C(C)[C@H](CC(=O)OC)C1=C[C@@H]2C(=O)O[C@@H]3C[C@](C)(O)[C@@H]([C@H]23)[C@]12OC(=O)CC2O"]
["168295361","C=[O+]C1=C(OC(=N)[O-])C(=C)[CH+]C(=C)/C(OC)=C(/[O+]=C)CC(=C)C(=[O+]C)C2=[C+]C(=O)C=C(N=C(O)C(=C)C#C[CH+]1)C2=O"]
["70518558","C=C(C)C(CC(=O)OC)C1=CC2C(=O)OC3CC(C)(O)C(C32)C12OC(=O)CC2O"]
["166575699","C=C(N)C1=C(C)CC2CC3(C)CC4=C(C5=CC(C)=C(C)CC5)CCC(N)=C4C(=C)C3=C(C)C2C1=NC"]
["96908972","COC(=O)[C@H]1C(C)=NO[C@@H]1[C@H](OC(C)=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C"]
["179367028","CC1CC#CC2(C1)OCC(=O)O2"]
["194989769","C=C1C(C2(C)C(OC(C)=O)CC(=O)OC(C)(COC(C)=O)C2CC(=O)OC)C(C(=O)O)C(OC(=O)C(O)C(C)CC)C2(C)C(c3ccoc3)CC(=O)C12O"]
["21427248","C=C1N=C(C)[C@H](C(O)=Nc2cc(C)ccc2C)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(O)=Nc1cc(C)ccc1C"]
["194961135","C=C1[C@@H]([C@@]2(C)C=CC(=O)O[C@](C)(COC(C)=O)[C@@H]2CC(=O)OC)[C@@H](OC=O)[C@H](OC(=O)[C@H](O)[C@@H](C)CC)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132"]
["150406013","CC1(C)CC(CN=c2cc(CC3(C)CC(CN=c4ccnc(-c5cc(NCOCC6CCCNC6)ncc5Cl)[nH]4)CCO3)nc(-c3cc(N=C(O)C4CCNC4)ncc3Cl)[nH]2)CCO1"]
["184551110","CC(C)[C@]12O[C@H]1[C@@H]1[C@@H]3C[C@@H]4C3C13C1(O[C@H]1[C@@H]1O[C@@]15C1=C(CC[C@]435)C(=O)OC1)[C@@H]2O"]
["67733094","C#CC#CC#Cc1cc(Br)sc1-c1cc(C#CC#CC#C)c(-c2nc(C#CC#CC#C)c(-c3ccc(-c4ccc(-c5sc(-c6sc(-c7sc(Br)cc7C)cc6C)nc5C)[se]4)[se]3)s2)s1"]
["198754449","C#CC#CC#CC#CC.Cc1cc(O)ccc1N=[N+]=[N-]"]
["MCULE-2369331405","Cc1ccc(C)c(C2=C(Nc3cccc4c(O)cccc34)C(=O)N(c3cccc4cccnc34)C2=O)c1"]
["42658550","Cc1cc(Br)ccc1Oc1ncccc1C(N)=S"]
["MCULE-3340067972","CNC1CC1c1cc(Br)ccc1C"]
["45795457","Cc1csc(C2(N=C(O)Cc3cccc(Br)c3)CCCC2)n1"]
["9019413","Cc1ccccc1-n1nnnc1SCc1csc(-c2ccccc2Cl)n1"]
["140577273","COc1ccc(-c2nc(C)c(C(=O)N3CCS(=O)CC3)s2)cc1OC"]
["76488518","Cc1cc(C)c2nc(N3C(=O)C4=C(C(=O)C5CC(Cl)CCC5O4)C34C(=O)N(Cc3ccccc3C)c3ccccc34)sc2c1"]
["2878797","Cc1nc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cs1"]
["93072999","CCNC(c1csc(Br)c1)c1cc(F)ccc1C"]
["113920073","Cc1nc(CN(C)C(=O)c2cc(S)cs2)cs1"]
["59272430","C=C1[N-]C(=CC2=NC(=CC3=NC(=C(C#N)C4=NCCC4)CC3(C)C)CC2(C)C)CC1(C)C.[Pt+2]"]
["90532839","COC(=O)C1=C(SC)C(C#N)C(=C(C#N)C#N)N=C1C"]
["161657649","O=C1C=CC(C=C2C=CC(C=C3C=CC(C=C4CCC(=O)N4)=N3)=N2)=N1"]
["44752490","CC1(O)C=C(C(C#N)=C[Si](C)(C)C)CC(C)(C)C1"]
["77280334","COc1cc2c(cc1OC)C(C(C#N)=CC(C)=Cc1ccccc1)=NCC2.CS(=O)(=O)O"]
["28492267","COc1ccc(C2(C#N)CCCC(=CC(C)CO)C2)cc1OC1CCCC1"]
["62284315","Cc1sc(C(C#N)=Cc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1"]
["124405010","CN(CC#N)CC(=O)N1c2ccccc2N=C(O)C12CCCC2"]
["77388370","CN(C)S(=O)(=O)c1ccc(-c2csc(C(C#N)=C3SCC(=O)N3c3ccccc3)n2)cc1"]
["67075599","CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1"]
["120171064","N#Cc1ccc(NC2CCCCN=C2O)c(Cl)c1"]
["106183360","N#Cc1ccc(N[C@@H]2CCCN=C2O)c(Cl)c1"]
["79261589","CO[C]1[C-]=C(OC)C(OC)=C=C1OC.[Li+]"]
["101691839","Cc1cccc(B([O-])O)n1.[Li+]"]
["78848903","COC1=[C]CCC1"]
["74908221","COC1=C=CC=C(c2ccccc2)C1=C1C=C[C](F)C=C1"]
["200523154","COC1(c2c(Cl)cccc2Cl)CC1"]
["177611512","COc1c(O)cc(C(O)=NN)cc1O"]
["159050287","COC(=O)C1C=C=C(OC)[C-]=C1"]
["180670760","COC1=C=CC(OC)=[C-][CH-]1.[U+2]"]
["166702930","COc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(C(F)(F)F)c1"]
["99704982","[B+]=C1C[C-](OC)C(OC)=C=C1C"]
["74508356","COC1=C=C(OC)[C](c2cccc(O)c2)C=C1"]
["26463261","CCCSc1c(Cl)ccnc1OC"]
["61991363","F[Se](F)(F)(F)(F)O[As](O[Se](F)(F)(F)(F)F)O[Se](F)(F)(F)(F)F"]
["171836575","[B+]O[C-]=[N-]"]
["74228699","FC(F)(F)ON1[CH]SC=C1"]
["61939448","F[Se](F)(F)(F)(F)Cl"]
["182809720","CON1CC(F)C(F)(F)C1=O"]
["176745812","O=C1CNCCC1C(=O)OF"]
["166777250","COC(C)(C)N1C(=O)C(F)CC1C"]
["168471480","F[B-](F)(F)O[Si]#[Si+]"]
["67568341","FO[Se](F)(F)(F)(F)F"]
["182383859","CC1(F)CC(F)C(C)(N=[N+]=[N-])N(F)C1=O"]
["171981526","[2H]P=S([3H])F"]
["181506315","[O-][B]OF"]
["185308791","C1=NC=c2ccc3c(c2O1)ON=CC=3"]
["17119661","COC(=O)c1occc1CSC1=NCCS1"]
["21999351","CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)s1"]
["161266653","C1CCOC1.NS(=O)(=O)c1cccnc1"]
["87931429","CCc1ccc(OCCc2ncc(C(=N)S)s2)cc1"]
["167398695","COC(=O)c1onc2c1C=CC1([N+](=O)[O-])N=NC(C(=O)OC)C21"]
["190970871","C.CC(C)(C)c1ccnn1CCN(C(C)(C)C)S(C)(=O)=O"]
["185822934","O=C1OSOc2ccccc21"]
["74657609","O=CC1=CC=CN=CO1"]
["87602096","O=C=NS(=O)(=O)c1ccc(Br)s1"]
["139415950","Cc1ccc(CN(C)S(=O)(=O)c2cn(C)c(C)n2)s1"]
["177623606","CCN(CC)C1=c2ccc3c(c2Cc2ccccc21)ON=CC=3"]
["168324827","[NH-][OH+]C=B[O-]"]
["24559850","O=B[O-].O=B[O-].[Ca+2]"]
["185733322","C#CO[B][O-]"]
["78642810","CC(C)[N+](C)(C)C.O=B[O-]"]
["176685366","C/C([NH-])=C/[O-].[Mn+2]"]
["175465701","N[B]S(=O)[O-]"]
["64034983","O=B[O-].[Ag+]"]
["50207660","O=B[O-].[Al+]"]
["163670417","C=CO[B][O-]"]
["23367737","O=B[O-].O=B[O-].[Ni+2]"]
["185143665","C=C[B][O-]"]
["190968574","[Ca+2].[O-][B]O.[OH-]"]
["195785719","C1C2[I]CC23C[C-]2[I][C-]2[C@H]13"]
["179940310","CC(C)CC12CC3CC1CC3C2"]
["76781453","ClC12CC[C+](C3CC31)C1CC12"]
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["91232443","ClC12CC3CC1C2C3"]
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["99651635","SCC=C1C/C(=C/CS)C(=CCS)/C(=C/CS)C1"]
["91561879","CC(=O)O.CC1CCCC(=CCO)C1"]
["91259345","CCCC=C1CC(=O)N(CC)C1=O"]
["78623057","C=CCS.[SiH4]"]
["79861340","C/C(=C\\CS)Cc1ccc(O)cc1"]
["170069032","C/C=C1/NC(=C/CS)/C(=C\\CC)S1"]
["184441374","CC1C=CC/C1=C/CC=C1CC1"]
["159126496","FC1(F)C[C@H]1CC=C1CNC1"]
["179323464","N/C=C1\\CC1CO"]
["26702540","CCCC=C1CCC[C@H]1C"]
["91321438","C=CC(C)CC=C1CCCCC1"]
["99428995","CCN=C(C)C1CCC/C1=C\\CN"]
["80936678","NN1C(S)=NN2C1=NN=C1C2C(=O)C(=O)C2=NN=C3N(N)C(S)=NN3C21"]
["169143569","CCC(C)(C)c1ccc(Cc2nnc(S)n(N)c2=O)cc1"]
["23285859","CSCCC1N=C(S)N(Cc2ccc(CS(C)(=O)=O)cc2)C1=O"]
["176450387","CC(C)(C)C1NN=C(O)N(N)C1=O"]
["27247325","O=C1c2c(Br)sc(Br)c2[C@H]2OC(S)=N[C@@H]12"]
["149118734","Cc1ccc(COc2ccccc2C2=NN=C3C4CCN(CC4)C23)cc1"]
["52212185","NN1C(=O)C(C2CCCCC2)NN=C1S"]
["61422491","NS(=O)(=O)c1ccc(CCN2C(=O)CN=C2S)cc1"]
["47966580","CC1C(=O)N(/N=C/c2ccccc2)N=C1c1ccccc1"]
["123593223","CC1N=C(S)N(C2CCCOc3ccccc32)C1=O"]
["90581129","SC1=NN=C2c3sccc3CSC12"]
["5841525","CSCC[C@H]1N=C(S)N(CCNS(=O)(=O)c2ccc(C)cc2)C1=O"]
["192449448","[B+][B-](=[B+])B(B([B-]([B+])=[B+])[B-](=[B+])[B-]#[BH-])[B-](=[B+])[BH]"]
["172114769","[B][B-](=[B])C(B([B-]#B)[B-]([B+])=[B+])[B-]([B+])=[B+]"]
["181705356","O=C(Cl)C(=O)C(=O)C(=O)C(=O)C(=O)Cl"]
["199754076","[B][B-](=[B])B([B-]([B+])=[B+])C(B([B-]([B+])=[B+])[B-]([B+])=[B+])[B-](=[B])[B-]([B])=[B]"]
["172114744","[B][B-](=[B])B([B-]([B])=[B])C(B([B-]([B])=[B])[B-]([B+])=[B+])B([B-]([B+])=[B+])[B-]([B+])=[B+]"]
["191733057","B#[B-][B+][B-](=[B+])[B-](=[B+])[B-](=[B+])C(C)=O.B#[B-][B+][B-](=[B+])[B-](=[B+])[B-](=[B+])[C-]=O.[Y]"]
["172114722","[B][B-](=[B])B([B-]([B])=[B])C(B([B-]([B+])=[B+])[B-]([B+])=[B+])B([B-]([B+])=[B+])[B-](=[B+])[B-]#B"]
["56675947","[B+][B-](=[B+])B([B-](=[B+])C)[B-](=[B-]=[B-]([B-]([B+])=[B+])[B-](=[B+])[B+]C)B(B(C)C)B(C)C.[V]"]
["171938670","[B+]=[B-](N)C=O"]
["196477536","[2H][B-](B(B([B-]([B+])=[B+])[B-]([B+])=[B+])B([B-]([B+])=[B+])[B-](=[B+])B(C)O)=[B-](B(B(C)C)B(C)C)B(B(C)C)[B-](=[B])C"]
["172114671","[B]C([B-]#B)[B-]([B+])=[B+]"]
["172942496","[B]=[B-]([B+])B(B(I)[B-](=[B+])[B-]#B)[B-]([B+])=[B+]"]
["195868464","C[b-]1bc2c(C)c(C)c(C)c3c2c2c(c(C)c(C)c(C)c12)[I]B=B3"]
["189885958","Cc1nc2c(C)c3[se]c4c(C)c5nc(C)[se]c5c(C)c4c3c(C)c2[se]1"]
["51811449","CC1=Nc2c(C)c(C)c(C)c(C)c2[B]1"]
["195746422","CC1=C2C(=O)[N+](C)([O-])c3cc(C#N)ccc3C2c2c(OCC3(C#N)CC3)ncc(C)c2N1"]
["184223343","B#[B-]c1c(C)c(C)c(C)c2c1-c1c(C)c(C)c(C)c(C)c1[I]B=B2"]
["30392596","Cc1c(N2CCCC2)c(C#N)c2c(c1C)c(=O)c(OC(=O)O)cn2C1CC1"]
["27325552","Cc1c(C)c(C)c2c(ncn2On2cnc3c(C)c(C)c(C)c(C)c32)c1C"]
["45340823","Cc1c(C)c(C)c2c(C)[nH]c(C)c2c1C"]
["73893645","Cc1c(NCc2c(C)c(C)c(C)c(C)c2C)[nH]c(=N)c(C)c1C"]
["200447691","Cc1c(C)c(C)c2c(c1C)[B]c1c(C)c3c(c(C)c1-2)CNC3.Cc1c(C)c(C)c2c(c1C)[B]c1c3c(c(C)c(C)c1-2)CNC3"]
["170114020","Cc1c(F)cc(C(SCl)C(C)C)cc1F"]
["179881597","CC1=C(C)[C-](C)C2=[B-]=IB=Ic3c(C)c(C)c(C)c4c3=C2C1=BI=[B-]=4"]
["193530140","CCC(=O)N(C)C(=O)N(C)CC.CCCCOCN(COCC)C(=O)N(COCN(COCN(O)C(=O)N(COCC)COCC)C(=O)N(CN(C(=O)CN(C(=O)CCCC)C(=O)N(CC)COCC)C(=O)N(C)C(=O)CCCC)C(=O)CCCC)C(=O)CCCC"]
["194315865","CCCCOCc1ccc(CCS(=O)O)cc1"]
["135841129","CCN(CC(=O)N(C)CC1CCN(C)CC1)C1CC1"]
["MCULE-3088683272","CCCCOCCCNC(=O)c1nonc1OCC(=O)N1c2ccccc2Sc2ccccc21"]
["26085760","CCCCC(=O)N(C(=O)CCCC)c1c(C#N)cnn1-c1ccc(Cl)c(Cl)c1Cl"]
["116580743","CCN=C(NCCCC(=O)OCC)N(C)CCOCC1CC1"]
["130160076","CCCCOCCNS(=O)(=O)N(C)CC"]
["MCULE-4466920439","C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(OC)c(F)c2)cn1CCCOCCCC"]
["94417386","CCOCc1ccccc1CN=C(O)C(N)C(=O)OCC"]
["2595968","COCCCCC(=O)N(C)c1ccccc1S(=O)(=O)N(C)C"]
["MCULE-6683517574","CCCCOCCCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CNc1ccccc1C(C)C"]
["123314965","CCOCCC(=O)N(CC(F)F)C1CC1"]
["99340883","[B]=BC=P1(C)OC(C)(C)[C@@]2(C)OC(C)(C)C(C)(C)C2(C)O1"]
["69847247","CCC=CCP1(=O)OC(C)(C)C(C)(C)O1"]
["180061380","CC1(C)C(C)(C)C(C)(C)C2(C)OC2(C)C1(C)C"]
["59655033","CC1(C)OC1(C)CB(CC1(C)OC1(C)C)CC1(C)OC1(C)C"]
["167565239","CC(C)P1(=O)OC(C)(C)C(C)(C)O1"]
["178109193","C[I-]C1(O)CC2(C)O[C@](C)(C1)C(O)C2O"]
["178843020","CC1C(O)C(C)(O)C(C)(C)OC1(C)C"]
["169653958","CC1(C)OP(=O)(F)OC(C)(C)C1(C)C"]
["68222807","CC1(C)OP([O-])(=S)OC1(C)C"]
["32811283","C=C[C@@]12C[C@]1(C)CCOS(=O)(=O)N2"]
["77285435","CC1(C)OP(=O)(C=C(CCCC#N)P2(=O)OC(C)(C)C(C)(C)O2)OC1(C)C"]
["163944389","[2H]C([2H])([2H])C1(C([2H])([2H])[2H])OC(C)(OC)OC1(C)C"]
["173319918","Fc1ccccc1NC1CC2C3NC(NC4C5C(Nc6ccccc6F)C(Nc6ccccc6F)C(Nc6ccccc6F)C(Nc6ccccc6F)C5C(NC5NC(NC6NC(N3)C3C(F)C(F)C(F)C(F)C63)C3C(F)C(F)C(F)C(F)C53)N4Nc3ccccc3F)C2C(Nc2ccccc2F)C1Nc1ccccc1F"]
["165697903","COC1CCC(Nc2cc(C)nc3c(F)cccc23)C1"]
["132660956","OC(=NNc1cccc2c1CCCC2)c1c[nH]nc1-c1ccccc1F"]
["MCULE-4301874564","OC(=Nc1ncc(-c2c(F)cccc2F)cn1)C1Cc2ccccc2C1"]
["90621372","COC(=O)C(=CNc1ccccc1F)C(=O)c1cc(Cl)sc1Cl"]
["170958534","FC(F)(F)C=Nc1ccccc1NC1c2ccccc2OCC1N1CCCC1"]
["156204517","C[C@@H]1CC(O)=N[C@@H]2C[C@@H](N=C(O)c3ccccc3F)CC[C@@H]12"]
["114340722","CC(C)C1CCCC(Nc2cc(Cl)ccc2F)C1"]
["MCULE-9942968182","O=C1C(Nc2ccccc2F)=C(c2ccccc2Cl)C(=O)N1c1cc(Cl)cc(Cl)c1"]
["MCULE-5417129693","COc1cccc(C#N)c1-c1cccc(F)c1C(=O)NC1CN2CCC1CC2"]
["181914463","O=C(O)c1cc(-c2ncccn2)nn1NNc1ccccc1F"]
["111596122","O=C(O)C1CCC1Nc1ccccc1Cl"]
["188518052","Oc1cc2c(O)cc([OH2+])cc2[o+]c1-c1cc(O)c(O)c(O)c1.[O-]c1c(O)cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1O"]
["110839814","O=Cc1cc(O)c(O)c2ncc(-c3ccccc3)cc12"]
["97749359","C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]
["42576995","CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc23)C(O)[C@@H](O)[C@@H]1O"]
["75256503","COc1cc(-c2[o+]c3cc([OH2+])cc(O)c3cc2O)cc(OC)c1O.[O-]c1cc2c(O)cc(O)cc2[o+]c1-c1ccc(O)c(O)c1"]
["192035257","COc1cc2c(O)cc(O)cc2[o+]c1-c1cc(O)c(O)c(O)c1.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O"]
["75841790","O=CCc1cc2c(O)cc(O)cc2o1"]
["192227659","CCOC(=O)c1c(C)cc(O)cc1O.CCOC(=O)c1c(C)cc(OC)cc1O"]
["192035256","COc1cc2c(O)cc(O)cc2[o+]c1-c1cc(O)c(O)c(O)c1.N[C@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O"]
["183879993","COc1cc(C(=O)c2cc(O)c(O)c(O)c2)cc(O)c1OC"]
["96704236","COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](OC(=O)CC(=O)O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O"]
["74392077","Oc1cc(O)c2cc(OC3O[C@H](C[OH2+])[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)[o+]c2c1.[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O"]
["78510661","CPC(P)PC(PC(P)PC)PC(P)PC(PC(P)PC(PC(P)PC)PC(P)PC)C(PC(P)PC(PC(P)PC)PC(P)PC)PC(P)PC(PC(P)PC)PC(P)PC"]
["195468195","CPOPN(C)N.I"]
["149656910","C=CC(C)PC"]
["150726579","CBC(BNC)PC(BNC)PC"]
["99754444","CP[P+](=O)P"]
["172517152","C=C([O-])N(C)Cl.[Li+]"]
["169838518","CCC1(CC)CC(C(C)PC)C1"]
["100904966","CC(C)N(C)[P+](N(C)C(C)C)(N(C)C(C)C)N(C)C(C)C"]
["162310967","CS[P+](C)(C)P"]
["121845800","CCC(SC)C(O)=NCC(=O)N(C)CC"]
["142223644","CCS(=O)(=O)CC(C)N(C)C(=O)CN(C)C(C)C"]
["172753789","CC(C)PC(C)C.[Li+]"]
["81372933","C=C1C(=O)C2=NC(=O)C(=O)N=C2N=C1Br"]
["82696264","C=C1C(=O)c2cc(Br)cc([N+](=O)[O-])c2N=C1C(=O)O"]
["162147270","CC1=C2C(=O)C(=O)C=C(O)C2=NC(=O)C1"]
["77437247","C=c1cccc2c1=NC(=O)C(CNC(C)(C)C)=C2"]
["77008973","C=C1C=NC(CS(=O)(=O)C(C)C)=NC1=O"]
["91379691","C=C1C=NC(=O)N=C1F"]
["93568920","CCC(CN)C(=O)c1c(Br)cnn1C"]
["80464876","C=CCSC1=NC(=O)C2=C(c3cc(C)ccc3C)CC(O)=NC2=N1"]
["82792753","C=C1C(=O)C(C)=C(S)N=C1C(C)=O"]
["175847341","C=C1C(=O)Oc2nc3c(nc21)OC(=O)C3=C.CC.CC"]
["83432090","C=C1C(=O)N=C(SCC(=O)c2ccc(Br)cc2)N=C1C"]
["83583100","C=c1ccc2c(c1)C=C(C[NH2+]C(C)C)C(=O)N=2"]
["175359207","Nc1ccc(ON2P=NP(Oc3ccc(Br)cc3)(Oc3ccc(Br)cc3)(Oc3ccc(Br)cc3)N(Oc3ccc(N)cc3)P2Oc2ccc(N)cc2)cc1"]
["30504305","CCCCOc1nc(C(CCCC)c2ccc(Br)cc2)c(C(=O)OCC)cc1C(=O)OCC"]
["93476483","Nc1ccc(CCc2nc3cc(Br)cnc3[nH]2)cc1"]
["155215356","CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(F)c(Br)c2[nH]1"]
["149189835","CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)C2c2ccc(Br)cc2)cc1"]
["7903569","Cc1nc(Oc2ccc(Br)cc2F)c2cnn(C)c2n1"]
["88630085","C[C@H](N)c1ccc(Oc2ccc(Br)cc2Br)cn1"]
["MCULE-7042735419","Cc1cc(C)cc(OCCNC(=O)c2cc(CCc3ccccc3)n(-c3ccc(Br)cc3)n2)c1"]
["155857693","C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(Br)cc3)cc2)N1"]
["122909488","Cc1cnc(C(N=C(O)C(C)Oc2ccc(Br)cc2)C2CC2)s1"]
["93825655","CCN(CCCCl)CCOc1ccc(Br)cc1"]
["9971498","O[C@H]1[C@H](Oc2ccc(Br)cc2)OC[C@H](O)[C@H]1O"]
["97210942","B1=C=[B-]=C=[B-]=[C]B=[C+]B=[C+]1"]
["65866705","B1=[B-]C=C=B1.[CH3-].[Co+2]"]
["172590004","C=C(C)C=CC1=C(O)C(O)(C=CC(=C)C)C(C=CC(=C)C)(C=CC(=C)C)C(C=CC(=C)C)(C=CC(=C)C)C1(C=CC(=C)C)C=CC(=C)C"]
["75361067","C=C(C)c1cc(C(=C)C)c(CF)cc1N"]
["187310442","C=C(C)c1cc(NC)cc(C(F)F)c1"]
["169622517","C=C(C)/C=C(C(=C(/C)C(F)(F)F)\\C(F)(F)F)/C(F)(F)F"]
["171920848","C=C(C)C=CC1CCC=C(C)C1"]
["99680306","C=C(C)/C=C/C1(C)CN(Cc2ccccc2)C1=O"]
["104075197","CC(=O)/C=C\\C1=C(C)CC[C@@H](C)C1(C)C"]
["175227282","C=C(C)/C=C\\C(=C/C)c1csc(C)n1"]
["176160798","C=C(C)/C=C\\C(=C)c1ccc(C)cc1.O=CO"]
["172712668","C=C(C)C=CCc1ccccc1O"]
["74525142","CC(C=C[C@@]1(O)C(C)=CC(=O)C[C@@]1(C)CF)=CC(=O)O"]
["149850414","C=C(C)C=CC(C(=C)C)=C(C=CC)OC1CCC(C(C)C)CC1"]
["174004122","B#[B-]c1cc(B=[B+])c2c3c(B=[B+])cc([B-]#B)c4c([B+])cc([B-]#B)c(c5c(B=[B+])cc([B-]#B)c1c25)c43"]
["54485780","B#[B-]c1cc(C)cc(-c2cc([B+])cc(C)c2)c1"]
["22344264","CCOc1ccc([C@H](C)N[C@H](C)C(O)=Nc2c(F)cccc2F)cc1OCC"]
["19161028","COc1ccc([C@@H](C)N[C@H](C)C(O)=Nc2c(F)cccc2F)cc1F"]
["173635691","[B]=Bc1[nH]c(B=[B+])c(B=BC)c1[B-]#B"]
["173665021","[B]=Bc1c([B-]#B)ccc(C(C)(C)C)c1[B+]S"]
["105201286","CN=C(O)[C@H](C)N[C@H](C)c1ccc(C)c(C)c1"]
["173981762","[B]=BCc1cc(CB=[B+])cc(C[B-]#B)c1"]
["43338124","[2H]C([2H])([2H])C([2H])([2H])c1nc(Cl)cc(Cl)n1"]
["195946779","CCC1C#CC(c2cccc(C(O)C(O)=NC3=CCC4C(=N)NC=CC4=C3)c2)=CC1"]
["173635688","[B]=Bc1c([B-]#B)c(B=BC)c(B=[B+])n1C"]
["82812446","CN=C(O)C(C)NC(C)c1ccc(F)c(C)c1"]
["183846065","CC1=C(C)N(C2=C(C(C)(N3C=COC=C3)C(C)(C)C(C)(C)N3C=COC=C3)OC(N3C=COC=C3)=C(N3C=COC=C3)N2N=[N+]=[N-])C(C)=C(C)O1"]
["183302100","CC(C)(C)NC(c1ccc(Nc2nn(N=[N+]=[N-])c3ccnc(O)c23)cc1)C(F)(F)F"]
["183591127","Cc1ccc(C(F)(F)F)n1N=[N+]=[N-]"]
["182173867","Cc1c(C)c(C)p(-c2c(CC(C)(C)p3cccc3)c(-p3cccc3)p(N=[N+]=[N-])c2C(C)(p2cccc2)C(p2cccc2)(p2cccc2)C(C)(C)C)c1C"]
["74114938","Cc1nc2nn(-c3cc(C(=O)O)cc(C(=O)O)c3)cc2c(/C=N/OC(C)(C)C)c1O"]
["181310505","Cc1cc(N=[N+]=[N-])ccc1-c1cccc(OCCOC(C)(C)C)n1"]
["180987234","Cc1nc(-c2ccnc3ccnn23)ccc1N=[N+]=[N-]"]
["183438651","Cc1c(CC(c2ncnc(Cl)n2)[Si](C)(C)C)cccc1N=[N+]=[N-]"]
["148556999","COC(C)(C)C.Cc1ccc(N=[N+]=[N-])cc1"]
["181234269","[N-]=[N+]=NN1C=CCC1c1ccccn1"]
["182842886","COC1Oc2ccccc2N(N=[N+]=[N-])C1=O"]
["134571555","CCCn1c(SCC(=O)c2cc(C)no2)nnc1-c1cccc(C)c1"]
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["78295197","C/C=C/CCCc1nnc(N2C(=O)N(CCCCCC)CC2OC(=O)c2cnccc2CCC)s1"]
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["84142495","COP1(=O)C=CC(Br)C1"]
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["98328814","CCCCOP1(=O)OC(Cl)C(Cl)(Cl)O1"]
["185259377","O=P1(OC(F)(F)F)OCCO1"]
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["79241027","O[Si](O)(O)F.[Co].[Ni]"]
["172753343","F[SiH](F)C(Cl)Cl"]
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["168413408","[CH2][Si](O)(O)F"]
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["127189363","OCC1CC(O)CN1CC(O)=NCC(F)(F)F"]
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["95073254","CCCC(COC)NC(C)COCC"]
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["171568187","C=C(C)C(=O)OC(C)(CC(C)C)C(C)(C)CCCC"]
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["150203626","C=CCOCC(COCC)OC(C)(C)CC"]
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["99054085","CCCC(C)(C)OCCC(C)(C)C(C)(CC)OC(C)CC(C)(C)C(C)CC"]
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["159350782","C[C@@]12CC[C@H](O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]1CC[C@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO"]
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["194853062","CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(OC(=O)C(C)(O)CC)CC(OC(C)=O)C3(C)C5CC(O)C4C21O"]
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["195487068","CCc1coc2cnc(C(=O)NC3CN4CC(OC(=O)/C=C/C(=O)O)C3C4)cc12"]
["27391863","CC12CCC3(CC1(O)[C@@H]1C[C@@H]1C1C2CCC2(C)C1C1C[C@@H]1C21CC(C(=O)O)C(=O)O1)OCCO3"]
["42044150","CO[C@](C(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]5[C@H](C[C@H]4[C@@H]3C[C@H]3O[C@]132)O[C@@]1(OC(=O)[C@H](C)[C@H]1C)[C@@H](O)[C@]5(C)O)(c1ccccc1)C(F)(F)F"]
["188637032","CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]5C(C[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O)O[C@@]1(OC(=O)[C@H](C)[C@H]1C)[C@@H](O)[C@]5(C)O"]
["50301725","C[C@]12CCC(=O)C=C1C[C@@H](C(=O)O)[C@H]1[C@@H]3CC[C@@](O)(CCC(=O)O)[C@@]3(C)C[C@H]3O[C@@]132"]
["23644334","C[C@H]1[C@H](C)[C@H]2C=C(C(=O)O)[C@H]3C[C@@H]4[C@H]([C@@H]3[C@H]2[C@@H]1O)[C@H]1C(=O)O[C@@H]2CCC[C@@]4(C)O[C@]1(O)[C@@H]2C"]
["173319802","O=C(O)C1CC2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C(O)C1C(=O)O)C1CCCCC61)C1CCCCC51)C1CCCCC41"]
["98809571","C1=C2CC3CC4=CCC5CC6CCC7CC8CC9CCC%10CCC(C1)C1C%10=C%10C%11=C%12C%13=C(C5C4C4=C%13C%11=C1C2C43)C6C7C%12C8=C%109"]
["170246886","Fc1n[nH]c2ccc([C@@H]3Nc4ccc5n[nH]cc5c4[C@H]4C5CC[C@@H](C5)[C@@H]34)cc12"]
["69279198","CCOC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2"]
["77396827","CC(C)(C)OC(=O)CC1C=C(c2ccccc2)C2C3CCC(C3)C12"]
["80934112","O=C1C(c2ccccc2)=C(c2ccco2)C2C3CCC(C3)C12"]
["98688439","CC1=C(C)C2C3CCC(C3)C2C(C)C1C"]
["149672762","CC1C=CC=C2C3CCC(C3)C21"]
["152640291","O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2)N(Cc1ccccc1)Cc1ccccc1"]
["100257939","C1=C2CC3CCCC3CC2CCC1"]
["110570824","C=CCN=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2"]
["152678122","CC(C)(C)SCCN=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2"]
["162971961","O=C1OC(O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]12"]
["164596164","F[B-]1(F)n2cc(C#CC3=C4C=CC=[N+]4[B-](F)(F)[N+]4=C[CH+]C=C34)cc2C=C2C=CC=[N+]21"]
["173842328","CCCCCC#Cc1cc2n(c1)B(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C"]
["180327381","Cc1cc(/C=C/c2cccc(N3CCCCC3)c2[N+](=O)[O-])n2c1C(CCN)=C1C=CC=[N+]1[B-]2(F)F"]
["32189971","Cc1cc(C)c(C2=C3C=CC=[N+]3[B-](F)(F)n3cc(C=O)cc32)c(C)c1"]
["195535287","COc1cc(Br)cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3CCN)c1OC"]
["175717790","COc1cc(F)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3CCN)cc1OC"]
["172871909","O=C(O)CCCCCCC/C=C\\C/C=C\\CCCCc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2"]
["101134057","Cc1cc(C)n2c1C(CC(C)CC(C)(C)C)=C1C=CC=[N+]1[B-]2(F)[F+]"]
["96794748","F[B-]1(F)[N+]2=CC=CC2=CC2=[N+]1C=CC2"]
["179391591","COc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3CCN)c1"]
["78589759","FB1n2cccc2C=C2C=CC=[N+]12"]
["164488548","F[B-]1([F+])n2cc(C3=Cc4c(ccc5ccccc45)OC3(c3ccccc3)c3ccccc3)cc2C=C2C=CC=[N+]21"]
["149582741","C#CC1OP(C)(=O)CCC1(C)CC#CC1CP(C)(=O)OCC1(C)C"]
["159391900","CC(C)(C)OC(=O)CCN=C(O)[C@@H]1OP(=O)(OCOC(=O)C(C)(C)C)OCC1(C)C"]
["169668148","C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@@H]1OP(=O)(O)OCC1(C)C"]
["74223691","C#CC1CSS(=O)SC1(C)C"]
["169668324","COC(=O)C(=O)CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@@H]1OP(=O)(O)OCC1(C)C"]
["176547405","CCCC(=O)OCOP1(=O)C[C@@H](C(O)=NCCC=O)C(C)(C)CO1"]
["197609517","C#CC1N(C(=O)C(F)(F)F)CC1(C)C"]
["156319516","C#CCNC1(C)CCOC1=O"]
["99196064","[2H]C1([2H])C[C@]2(CO2)[C@@H](C2(C)O[C@@H]2CC=C2CC2)[C@H](OC)C1=O"]
["22919361","CC1(C)COP(=O)(O)O[C@@H]1c1ccccc1"]
["75084616","C#CC1(C)OP(=O)(OC)OC1C"]
["120759772","CC1(C)COC2C(CCC2(C)C)N1"]
["195949919","NC1=C(N)C2=C3PC4=c5c(N)c(N)c(N)c(N)c5=C(I)C4PC3=C(N)C2C(N)=C1N"]
["182346769","NC1=C(I)C(C(=O)O)C(O)(I)CC1(O)I"]
["195829845","CC1=C2C(=C(N)C(N)=C(N)C2N)C(N)=C1N"]
["174023783","O=C1C=CN(c2cnn(C3CC3)c2)C1"]
["162238697","Nc1c(C(F)F)cc(C(=O)O)nc1I"]
["195346727","CC1C(N)C(N)=C(N)C(N)=C(N)C2NC21N"]
["44082424","Cc1cc(Oc2c(N)cc(C#N)cc2I)n2ncnc2n1"]
["195972167","CC1=C2C(=C3C(N)=C(N)C(N)=C(N)C3c3c(N)c(N)c(N)c(N)c32)C=C1"]
["195317390","NC1=CC(N)=C(N)C2C(I)=C(N)C(N)=C12"]
["195820954","C=Nc1c(N)c(N)c(I)c(I)c1N"]
["198451019","Nc1c(Br)cnc(OC2CC2)c1I"]
["195674094","NC1=C(N)[C@@H](N)c2c(N)c(P)c(N)c(N)c21"]
["180682567","CC1C=CC2=C(C=CC3=NN=C[N+]32C)C1C"]
["179251093","Cc1ccccc1-c1c2c(nc[n+]1C)C(C)C(C)C=C2"]
["133106778","CC1C(C)S(=O)(=O)CCN1C(=O)c1cccc2c1oc(=O)n2C"]
["97305230","CC1=CC([Si](C)(C)Nc2c(C)cccc2C)C=C1"]
["658012","CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\\[C@H]1C"]
["97909560","C[C@@H]1C[C@H](C)[C@H](O)[C@@H](C)C(=O)O[C@H]([C@@H](C)O)[C@H](C)/C=C/C1=O"]
["50139102","CC1C=CC(F)=CC1N"]
["51092321","CC1Cc2ncc1[nH]2"]
["180308026","CC1C=CC(CN(C)C)=CC1C"]
["69687115","NC1C=CC2=NN=C(O)C2=C1"]
["175775228","CC1C=CC(Br)=CC1C(F)F"]
["67140357","C[C@@H]1C=CC(O)=N1"]
["97636281","C[Si](C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si]12OS(=O)S[Si](C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(S1)S2"]
["96278599","Cc1csc(C(O)CC=O)n1"]
["84460540","CC(C)(C)c1csc(CNCc2cc(Br)cs2)n1"]
["122015418","Cc1csc(N(CC(F)(F)F)C(=O)CCc2nc(C(C)(C)C)no2)n1"]
["136728331","CCOC(=O)c1csc(N(C)C(=O)C(C)Oc2cccc(C)c2)n1"]
["24234640","CCN(C(C)=O)c1nc(CSc2nc(C)c(C)o2)cs1"]
["97330007","CC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)[Si](I)(I)[Si]1(I)[Si](I)(I)[Si]2(I)[Si](I)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](I)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si]2(I)[Si]1(I)I"]
["178678784","CC(C)(C)Nc1nc(C(C)(C)I)co1"]
["MCULE-2050537754","CC(C)Oc1cc(F)cc(-c2csc(N(C)C(=O)OC(C)(C)C)n2)c1"]
["140850936","CCC(C(=O)N(C)Cc1nccs1)N(C)C"]
["91047478","C[Si](C)(C)C(=CCCC(P)=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["172416330","CC(C)Cc1ncn(-c2nc(C(F)(F)F)ccc2C(=O)O)n1"]
["173705717","CC1=CC(/C=C2/N=C(C3N=CC=C3C)C=C2C)=NC1=Cc1cc(C)c[nH]1"]
["81550114","Cc1ccnc(NC2=CC3=CC=NC(=O)C3C(=NC3CCC(O)CC3)N2)c1"]
["181122532","Cc1ccc(Cc2cc[nH]c2CC2C(C=C(Cl)Cl)C2(C)C)cc1"]
["177540573","Bc1c[nH]c2ncc(C)cc12"]
["70526476","CC1=NC2=CC=NC2C(O)=N1"]
["174394426","Cc1ccc(C)c(-c2n[nH]cc2/C=C2\\SC(O)=NC2O)c1"]
["186535452","C=C1/C=C(C)/N=C(C2CC2)/C=C(\\C)N(C)CCN=C(O)CCc2ccc(C)cc2C(=C)N2CCCCC12"]
["1683840","CC1=C(C)[C@@H]2N=CN=C2C=C1N"]
["21951313","CCOC(=O)C1=NN2c3ccc(C)cc3[NH+]=C(O)[C@@H]2N1"]
["104235566","Cc1ccc(-c2cc([C@@H]3CCN(C4CCSCC4)C3)n[nH]2)cc1"]
["162462840","CC1=CC(C)=NC1=CNNC1CC1"]
["176180062","Cc1ccc(=N)[nH]c1.N=C(CC(C(=O)O)C1CCCC1)NN"]
["43748610","COC(OC)[Si+]=C1[C+]=CC(C(C2=C[CH+]C(=[Si+]C(OC)OC)C=C2)([C-]2C=CC(=[Si-]C(OC)OC)C=C2)C2C=CC(=[Si-]C(OC)OC)C=C2)C=[C-]1"]
["MCULE-9810389408","COc1ccc(C(C)n2ccc(C(F)F)n2)cc1C"]
["176057156","CC[O+]=[Si+]CCCN=C(O)N(C)CCCN1c2cccc(OC)c2C2c3c(OC)cccc3N(CCCN(C)C(O)=NCCC[Si-])c3cccc1c32"]
["180987099","COC(OC)[Si-]=C1C=C[CH+]C(NCCN)=C1"]
["173582833","CC(C)NC(C)C.[B+]=C1[C-]=CC(C(F)(F)F)C=C1"]
["MCULE-6977921416","COCc1nnc2n1N(C(=O)C(F)(F)F)C(c1ccc(C)cc1C)CS2"]
["150256755","[B+]=C1[C-]=CC(C(C)(c2noc(-c3cnn(CC(=O)N(C)C)c3)n2)C2CC2)C=C1"]
["171409625","CC(C)=C[Si-]=C1C=C[C-](CSCC2C=[C+]C(=[Si]=C[C+](C)C)C=C2)C=C1"]
["MCULE-6337483009","COc1cc(C)c(Cl)c(C)c1C1CSc2nnc(C)n2N1C(=O)C(F)(F)F"]
["166610361","CON1c2ccccc2[N+](O)=C2C(O)=C(Br)C=CC21"]
["61619456","CC(C)(C)C1C=[C+]C(=[Si-])C=C1"]
["MCULE-1228896224","COc1ccccc1CCc1nnc2n1N(C(=O)C(F)(F)F)C(c1ccc(Cl)c(Cl)c1)CS2"]
["183727321","CCON1CN(OCC)N(OCC)N1C[Si](OCC)(OCC)OCC"]
["79590844","CCO[Si](C/C=C/CN)(OCC)OCC"]
["153192108","CCOC[C@H]1CN(c2ccccc2)N=C1O"]
["161331020","CCCCCCCCCCCCCCCCC[Si](OC)(OC)OC.CCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC"]
["66179625","CCO[P+]1(CC)OCC(Br)O1"]
["171486055","CCCC[Si](CCBr)(OCC)OCC"]
["184830562","CCCOCOCn1c(=O)n(CCC[Si](OCC)(OCC)OCC)c(=O)n(COCOCCC)c1=O"]
["74478419","CCOP(=S)(OCC)Oc1cc(C=P(OCC)(OCC)Oc2cc(C)nc(C(C)C)n2)nc(C(C)C)n1"]
["167135002","CCCC(F)N=C(O)OCCC[Si](OCC)(OCC)OCC"]
["174919142","CCON1CC(C)NCC1C"]
["67749684","C=C[Si](C)(C)O[Si](CCCCCC)(OCC)O[Si](C)(C)C=C"]
["26499659","CCO[Si](OCC)(OCC)C1=C(C2=CCCCCC2)CCCCC1"]
["176060615","[O-]c1cccc2c1=IN(O)c1cccc(O)c1[N+]=2[O-]"]
["83821695","CC(C(O)=[NH+]C(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2O)CC1"]
["170474408","N#CCC#Cc1cccc(O)c1Cl"]
["171185868","[O-][n+]1c2ccccc2nn1-c1cc(-c2ccccc2)ccc1O"]
["15652789","O=C(Cc1c(Cl)cccc1Cl)N1CC(O)=Nc2ccccc21"]
["155118098","O=C(O)[C@@H](O)[C@H](O)c1nc2cccc(O)c2[nH]1"]
["126619706","COC(=O)C(C)Oc1ccc(CN2CCN(c3ccccc3O)CC2)cc1"]
["47179512","CC(=C=CC[C@@H](O)c1ccccc1O)C[C@@H](O)c1ccccc1"]
["182837246","Oc1cccc(OC(=CC(F)(F)F)C(F)(F)F)c1O"]
["65472123","O=S(O)c1cccn1-c1ccc([O-])c(O)c1"]
["MCULE-2883382313","COc1cccc(O)c1C(C)n1nccc1C"]
["194369985","[O-]c1cc(O)c(O)c2ccccc12"]
["73629747","N#CCCSC1=C(SCCC#N)SC(=C=C2SC(CS)=C(CS)S2)S1"]
["60046426","Cc1cc(S(=O)(=O)NCCCC#N)ccc1Br"]
["106138823","N#C[C@@H](N)CCSc1nccs1"]
["163339534","CCc1ncnc(O)c1CCC#N"]
["18255288","C=CCn1c(SCCC#N)nnc1-c1ccoc1C"]
["14273997","N#CCCSc1ccccc1NC(=O)C(=O)NCCCc1cccc(F)c1"]
["44842042","N#CCCCNc1ccc(F)c(C#N)c1"]
["128942771","CC(c1ccccc1)N(C)C(=O)C(=O)Nc1ccccc1SCCC#N"]
["91627757","N#CCCCCSc1nc2cc(Cl)ccc2s1"]
["143069477","CC(C(O)=Nc1ccccc1SCCC#N)N1CCc2ccccc21"]
["87528449","N#CCCSc1nc(O)cc(C(F)(F)F)n1"]
["176156431","CC(C)=C1CCC(C)C(SCCC#N)C1"]
["56284628","O=S(O)NC1=NN=C2N=NN=C21"]
["24888247","CCCNC(=O)c1nnc(S(C)=O)s1"]
["58492252","CCCCNC(C)=C1C(=O)CSC1=O"]
["44156666","O=S(O)Nc1cccc2c1OCCN2"]
["73962136","N=C(O)N1N=NC(=O)C1=S(=O)=O"]
["137010708","CCC1CCC(CNC(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1"]
["166574513","CCc1csc([C@H](Cc2ccc(NS(=O)O)cc2)N=C(O)CN2CCN(CC)C(=O)C2=O)n1"]
["168431771","CCC(C=O)=C1N=CC=N1"]
["96066653","CCS(=O)CCN=C(O)NCc1ccc(C(=O)O)nc1"]
["116843581","CCc1cnccc1C(=O)NCC(CO)Cc1ccccn1"]
["43507640","CCc1ccc(-c2ccccc2-c2ccc(C(=O)O)c(O)c2NS(=O)O)cc1"]
["162961422","Cn1ncc(N)c1NS(C)=O"]
["51694119","Brc1cn2b[n+]3[cH-]c(Br)cn3[b+][n+]2c1"]
["147312659","CCN(C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1)C(C)C"]
["116681308","CCN=C(NCCS(=O)(=O)N(CC)CC)N(C)Cc1cc(Br)cn1C.I"]
["129149031","CC(C(C)S(C)(=O)=O)N(C)C(=O)c1ccc(Br)cn1"]
["147316805","Cn1cc([C@H]2CNC[C@@H]2C(O)=NC(C)(C)c2ccc(Br)cc2)cn1"]
["89001801","CCNCCc1cn2cc(Br)ccc2n1"]
["111224389","CCn1cc(Br)cc1C(=O)N(CCCO)C1CCC1"]
["158591414","CC(C)S(=O)(=O)NC(=O)c1nn(C)cc1Br"]
["85445958","Cc1cc(S(=O)(=O)N(C)Cc2cnn(C)c2)sc1Br"]
["93565431","CCCNC(c1cc(F)c(Br)cc1F)C(C)S(C)(=O)=O"]
["174601968","Brc1ccc(-c2cn3nc2-3)cc1"]
["64654052","O=C1CC(N(C2CCCC2)S(=O)(=O)c2cccs2)C(=O)N1c1ccc(Br)cc1"]
["198138186","Cc1cc2cc3cc4cc(C5=CC=CC5)[se]c4cc3cc2[te]1"]
["173855487","Cc1cccc(-c2cc(C3=CC=CC=CC3)ccc2N(C)C2=CCC/C=C/C=C2)c1"]
["172903089","c1ccc2cc3cc(-c4cc5cc6sc7c8cc9[se]c(-c%10cc%11cc%12ccccc%12cc%11cn%10)cc9cc8sc7c6cc5[se]4)ncc3cc2c1"]
["163536975","Cc1cc2c3c(c1)C1C=CC4CC=CC=C4N1[C@H](C2)C3"]
["99244074","CO/N=C/c1ccccc1C1=CC=CC1"]
["180564801","Cc1ccc(OC2=CC=CCC2C)c(C)c1"]
["97738065","CC(C)[Si](OCCC1=CC=CC1)(C(C)C)C(C)C"]
["172982778","Cc1ccc(C2=CC=CC2)c(-c2ccccc2)c1-c1ccccc1"]
["184829598","CCCCCCCCCCc1cc2cc3cc4cc5cc(-c6ccccc6)[se]c5cc4cc3cc2s1"]
["181373803","CCC1=CC2=CC=CCC(c3c4ccccc4c(OC)c4ccccc34)C2=C1"]
["181503674","SCCON1CC=C2CC=CC=C21"]
["195347440","CC1=CC=CC[C@@H]1C(=O)O"]
["184337487","CNC(=[C-]SC)C1C[CH-][I]C(F)[I]C1C"]
["75756085","CCN1C(C)CCC1CSC"]
["180895518","C=I1(CCF)CC(C)C1"]
["157997886","CC1CC(N[C@H]2CC[C@H](F)C2)C1"]
["194332809","C[C@@H]1O[C@]2(F)CO[P@](C)O[C@H]2[C@H]1F.[W]"]
["173988382","[B]C1([B])CN(SC)CC([B])([B])C1C"]
["174169945","C=C(NC)N1CCC(C)C1"]
["180640260","CC(F)NCC1CC(C(=N)O)[C@@H](F)[C@H]1C"]
["135688019","Cc1cc(O)cc(=O)n1CC(=O)N1C(C)CCC1C"]
["141756947","COc1c(F)cc(NC(=O)C(=O)NC2CCCC(SC)C2)cc1F"]
["92024310","COc1ccc(CC(=O)CNC2CC2)cc1F"]
["151083594","C[C@@H]1[C@H]2C[C@H](C[C@H]1C(=O)O)C2(C)C"]
["184544058","IC1C2C3C45C6C7CC89CC%10C%11C%12%13C%14CC%12C%12CCC%12%10CC8C8C%11%10C%13C%11C%12C(CCC%12%14)CC1%11[C@@H]1CC2%11CC2%12CC%13%14CC%15%16CC%17C%18C%19%20C%21C%22C%23C%24CC%25CCC%23C%23C%19C%19C%26(CC%27CCC%26C%21C%23%21C%25CC%27%21)CC%17%19CC%15C%15C%18%17C%20C%18C%22(C%24)CC%18%19CC%18%20CC%21%22CC7(CC9C4C38C1%10)C%21C1C6(C(C%132)C12C(C%16%14)C%15(C%17C%19%18)C2C%22%20)C5C%11%12"]
["200301399","CN(CCN(C)C(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@@H](c4ccc(CC56CC(N)(C5)C6)cc4)O[C@]32C(=O)CO)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@H]21)C(=O)OCc1ccc(NC(=O)[C@H](CCC(=O)O)N=C(O)CN=C(O)Cc2ccc(-c3nncnn3)cc2)cc1"]
["195078385","CCNC1CCCCC1CC1C=CC2CC([NH3+])NC3C#CCC4CC(O)C(OC)CC4C4OC5C(CCC6C7C(CC(O)CC7OC)CC7(CCC(C7)C1C23)C65)C4COC(C)=O"]
["CNP0487636.1","C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3[C@@H]4C=CC[C@]56C[C@@]7(CC[C@H]([C@H]8C=Cc9ccccc9[C@@H]8c8ccc9cc%10ccccc%10cc9c8)C7)[C@H](O)C[C@@H]5[C@@H](O)C[C@@H]([C@@H]3CC[C@@H]1[C@]2(C)O)[C@H]46"]
["189096680","CCC(=O)[C@@]12OC(C3CC4(Cc5cccc(N)c5)CCC34)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C"]
["200301554","CN(CCN(C)C(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@@H](c4ccc(CC56CC(N)(C5)C6)cc4)O[C@]32C(=O)CO)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@H]21)C(=O)OCc1ccc(NC(=O)[C@H](CCC(=O)O)N=C(O)CN=C(O)CCC(=O)N2Cc3ccccc3-c3nn[nH]c3-c3ccccc32)cc1"]
["179782195","CCCC1CC2CC(C2)C(C)C2C3C4CCC(CCC1C1CCC(CC2C2(CCC)CCC1CC1CC2C1)[C@@]1(C)CCC3C1)C1CC(C1)C4"]
["189096981","C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1CN(Cc3ccc(CC45CC(N)(C4)C5)cc3)C[C@]12C(=O)CO"]
["74197079","CCC1C(C2CCC2C)C2C1C1CCC3C4C(C5C4[C@@]4(C6CCC7C8C(C76)[C@H]6C7CC9CC[C@H]9C7C86)CC[C@@H]54)C3(N=O)C12"]
["195085703","CC1(O)C2CCC3C4CC(O)C5CC(O)CCC56CC=CC(C3C2CN2CC3CCC(CCc5ccccc5)c5ccccc5CSSCC(C3)C21)C46"]
["180091252","O=[N+](CC12CCCC1CC2)C1C2CC3CCC(C4CCC5CCC4C5)C4CCC34CCC3C4CCC5CC43C5CCC34CCCC(C1C1CCC12)C3CC4"]
["200301458","CC(C)SC1CC(=O)N(CCC(O)=NCC(O)=N[C@@H](CCC(=O)O)C(=O)Nc2ccc(COC(=O)N(C)CCN(C)C(=O)O[C@H]3C[C@@]4(C)[C@@H](C[C@H]5O[C@@H](c6ccc(CC78CC(N)(C7)C8)cc6)O[C@]54C(=O)CO)[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]43)cc2)C1=O"]
["53440460","CC=[C+]C=[C-][C@@H](C)[C+]=CC[C@@H](C)[CH-]CC[C@@H](C)[CH+]C=CC([CH-]C)CC"]
["57597749","C[CH-]CCCC(C)CC(C)CC.[CH3-].[Y]"]
["161793681","CC[C@H](C)CC=CC(C)(C)n1cc[n+](C)c1.F[B-](F)(F)F"]
["193177103","CCC(C)(C)CCCC(C)CC=CC(C)=CCCl"]
["98677118","CC=CC(C)C=CCC(CCC)CC(C)CC"]
["100245275","CC=[C-]CCC(C)CC/C=C/CCC[C-]=CCC"]
["75503680","CCC(C)CC(C)COCC1C2CC12"]
["70297886","C[CH-]C([CH]C=CC(C)[CH+]CCC(C)[C-]=C[CH+]C(C)CC=[C-]C(C)CC=[C+]C(C)[C-]=C[CH+]C(C)CC)CC"]
["48356864","CC[C@H](C)[C-]=C[CH+]C(C)C"]
["67650604","C[CH-]CCC(C)CC.[V]"]
["65731957","CCCCC(C)[CH+]C[CH-]C(C)CC"]
["175947783","C=CC.C=[C-]/C(F)=C(/F)C(=C)C(C)CCC(C)CC.[Rb+]"]
["25006371","CCCC[SiH]1[SiH2][Si]2(CCCC)[SiH2][SiH2][Si]1(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si]2(CCCC)CCCC"]
["79389406","CCCC[SiH]1CCCCC1(C)ON"]
["184301119","C=C1CC[C@H]2C3CC(CCCC)C2C3C(=C)C(=C)C(=C)C(=C)C(=C)C1=C"]
["171474860","CCCCP(CCCC)(CCCC)(Cc1ccccc1)O[Cl+3]([O-])([O-])[O-]"]
["147760901","Br.CCCCc1cccnn1"]
["171211366","CCCC[C@@H](N)c1ccccc1OC(F)F.Cl"]
["59225493","CCCCC1(CCCC)NSc2ccc(N(C)C)cc2C(c2cccc([N+](=O)[O-])c2)C1O"]
["185429814","CCCCc1cccc(OC)n1"]
["43635493","CCCCC(=Cc1ccc(C(C)=O)cc1)C(=O)O"]
["52685087","CCCCCc1o[nH]c(=N)c1CC"]
["99212004","CCCC[Si]1(C2CCC3C=CC=CC32)CCC1"]
["78424844","CCCC/C(=C/c1ccc(C=O)cc1)C(=O)O"]
["79425401","C[C]1C=C(C2=CC(C)=C=C3C=C(C)C=C32)C=C(C)[CH-]1.[Li+]"]
["175006154","CC1=C=C(C)[N-]C(C#N)=C1.[Co]"]
["172694658","CC1=CC2=CC(C)(C)CC2=C1"]
["172863267","CC1=CC2=CC(C=[Si](C)C)OC2=C1.Cl.Cl"]
["70251711","[CH2-][N+](=C(C)C1=C=C(C)C=C(C(C)=[N+](C)c2c(C)cccc2C)N1)c1c(C)cccc1C"]
["79756185","CCC=C1[CH]C(C)=CC(C)=C1"]
["25474861","CC1=C=C(C)C=C(N)[CH]1"]
["171270684","CC1=C=C2[CH-]c3ccccc3C2C(C)=C1C.[Li+]"]
["63906243","CC1=Cc2ccc3c4c2C(=C=CC4C=C=C3)[CH-]1.[Y]"]
["75838515","CCC1=C=C(C)C=C(Cl)[CH]1"]
["74925885","CC1=C=C(C)C=C(CC=O)[CH]1"]
["173292824","CC/C=C\\C1=C=C(C)C=C(C)C1"]
["99393992","[Fe].c1ccc(P(=Nc2ccc[cH-]2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P-]([N-]c2ccc[cH-]2)(=c2cccc[cH-]2)=c2cccc[cH-]2)cc1"]
["179939547","CC/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=C(\\C)C(=O)O"]
["168718405","CC(=O)[c-]1[cH-][cH-][cH-][cH-]1.COC(/C=C/c1ccccc1)c1ccc[cH-]1.[Fe]"]
["159778091","CC([O-])=C1C=CC=C1.COC(C=Cc1ccccc1)c1ccc[cH-]1.[Fe+2]"]
["170537905","COC(=O)C([I+]c1ccccc1C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1"]
["76801234","C=CCC(C(C)=NN=C(C(=O)c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1"]
["83864583","Cc1cc(-c2ccccc2)nc(SC(C)C(O)=Nc2cc(F)ccc2F)n1"]
["43308869","[Co].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(C(c2ccccc2)c2ccc[cH-]2)cc1"]
["163933598","Cc1ccc(P(=O)(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccccc2)c(O)c1"]
["3447677","C[C@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)C(O)=N[C@@H](C)c1ccccc1"]
["48643613","CC(O)=NCc1ccc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)s1"]
["45540352","CC(=O)O.CC(O)P(=O)(c1ccccc1)c1ccccc1"]
["175665146","C1=[Si]=[si]2[si]#[si][si]3c4c(ccc(c42)=C1)=[Si]=[Si]=[Si]=3"]
["113681620","COc1cc(CN2C(=O)C(C)(C)S2(=O)=O)ccc1C#N"]
["148554405","O=C1C=c2ccccc2=C/C1=C(\\C=C\\c1ccccn1)NO"]
["46688406","NNC1=CC=c2ccc3c(c2N1)NC=CC=3"]
["50876374","CCCNC(Cc1csc2ccccc12)c1ccccn1"]
["54834049","C1=[Si]=c2ccccc2=C1"]
["85400021","CC1(C)C(=O)N(Cc2ccnc(C(N)=S)c2)S1(=O)=O"]
["161714277","C1=[Si]=CC=c2ccccc2=C1"]
["76744048","O=C1C2=CC(N(O)O)=CC(C(=O)O)C2=Nc2ccncc21"]
["173291641","[2H]C1=NC(=N)c2cc(=CO)ccc2=C1"]
["67497744","C1=CNc2c3c(ccc2=C1)=CCCN3"]
["60740881","C1=Cc2c(ccc3c2=NCC=3)NO1"]
["149982892","C1=CN2CN3N=CN=NC3=C2C=[NH+]1"]
["42048620","C1=NN(c2ccccc2)CN1c1ccccc1"]
["173038576","C1=CN2C(=CCc3ccccc32)C=[NH+]1"]
["43404212","CN1N=CCC1(c1ccccc1)c1ccccc1"]
["195404290","CC(C)(C)N1C=C2N=NC=CN2C1"]
["43939082","COC1(c2ccccc2)N=C(O)C(C)(C)CC1(C)C"]
["49980373","N/C(NC1CC1)=C1\\N=CN=N1"]
["57344142","C1=CN2CN=NC2=CN=C1"]
["173184322","COC1=CC=CC2=C3C=[NH+]C=CN3C(=O)C12"]
["112555929","Cn1ccc(CNC2C3C4CCC(C4)C23)n1"]
["195589577","[NH2+]=C1N=CN=C(Cl)C1=CNC1CCCC1"]
["82836106","O=C1N=CN=NC1=O.c1cnccn1"]
["172102461","[K+].[K+].[O-]C(OCC1[C-]=CCCC1)C1[C-]=CC=[C-]C1"]
["106137760","N#C[C@H](N)CCOC1CCC1"]
["165713367","CCCOC1CCCN(c2nnc(CC)c(CC)n2)CC1"]
["145842463","CC(OCC1CCCO1)C(O)=Nc1ccc(C(=O)O)c(Cl)c1"]
["197290491","CC(C)OC[C@@H]1CCCC[C@H]1O"]
["106376914","COc1ccc([C@@H]([C@H]2CCCN2)N(C)C)cc1C"]
["128691296","CC(CC(O)=Nc1cccnc1Cl)Nc1ccc(COC2CCCC2)cc1"]
["113098179","Clc1ccccc1C(CNC1CC1)OCCC1CC1"]
["182191574","CCOc1cc(C)c(OC(C)C)c(CN2CCCC(C)C2C)c1"]
["133756670","COC1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1"]
["178815785","Nn1c(C2[C-]=CC[I+]2)ccc1[C@@H]1CCCN(C([O-])OCc2ccccc2)C1"]
["29071949","CN1CCCC(COc2c(Cl)cccc2Cl)C1.Cl"]
["78521788","BBB1CC=C2CCCB[C@H]2B1B"]
["58490095","C[P+]1(C)CC=C2CCCCC21"]
["185186715","C=C1C[C@]23COCCOC2CC[C@H]3[C@@H]2CC=C3CCCC[C@@H]3[C@@H]12"]
["166806936","C1=C2CCCNC2NCC1"]
["90827497","CC=C1SC(=O)SC1C1=CCCCC1"]
["182945675","C1=C2CCCC2C2OC2C1"]
["49484677","CC1CCC(C2=CC(Cl)CCC2)CC1C"]
["173724386","O=C(O)CC1CCC2=CCCCC2C1"]
["180789603","CC1=C(C=O)CCCC(I)N=C1"]
["180402607","C1=C(C2CC3CCC3C2)CCC1"]
["175234208","C1=NNC2CC=c3[nH]ncc3=C12"]
["179438358","CSC1C=CC=C2C3=C(CCNC3)NC21"]
["182758769","C[SiH](CCCCCCCCCCCCCC1(Cl)C=CC=CC1)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]Cl"]
["53890495","CCC(C)(C)C1(N(CCO)CCO)C=CC=CC1"]
["185122923","COC(=O)c1sc(C2(C)C=CC=CC2)cc1N=C(C)O"]
["182084776","CCCCCCC1(C(C)N=[N+]=[N-])C=CC=CC1"]
["193400499","CCCC1([SiH2]C2C=CC=C2)C=CC=CC1"]
["107919376","COC[C@@]1(Br)C=CC=CC1"]
["181711527","CCCCCCCC1(C(=O)[O-])C=CC=CC1"]
["185806431","CC(C)NCCCC1(OCCCBr)C=CC=CC1"]
["182502813","CCCC1COC(C2(C#N)C=CC=CC2)OC1"]
["97646874","CCCCCCCCCCCCCCCCC1(OC)/C=N\\CC(C)(C)N=C(O)C(CCCCCCCCCCCCCCCC)(OC)/C=N\\CC(C)(C)N=C1O"]
["55722834","CCOC(=O)C1(CCCCCCCCCCCC2(C(C)=O)C=C2)CC1"]
["175073372","CCC1(N(C)C(=N)NC(=N)N)C=CC=CC1"]
["175504230","OCCC(OCCS(F)(F)(F)(F)F)S(F)(F)(F)(F)F"]
["112083700","COCC(CCO)NCc1ccc(C(C)(C)C)s1"]
["156298451","CC1CCC(C)N(C(C)CO)C1"]
["162721811","CC(CCO)CCN=C(O)C(F)(F)F"]
["32501090","C[C@H](F)CCCCO"]
["162257408","CC(CCO)N1CC2CCC(CC2)C1"]
["182520965","CCCCCOC(I)CCCCON=[N+]=[N-]"]
["46614229","CC(C)[C@@H](C)OCCO"]
["184154009","CC(C)CCCN1CCN(CCCCCOC(C)C)CC1"]
["101374180","O/C=C/OCCO"]
["135831786","CN(C)C(O)=NC(CCO)C(C)(C)C"]
["105050177","Cc1cccc(O[C@H](C)CCO)c1"]
["193814538","CC(C)N1c2c3c(c4c(c2[C@@H](C)[C@H]1C)N(C(C)C)[C@H](C)[C@@H]4C)N1C[C@H]2B([C@@H](C)[C@@H](C)C[C@H]2C)[C@H](C)[C@@H]1C3"]
["158196699","C[C@@H]1SCCN(c2ncnc3c2CCC3)[C@H]1C"]
["52961","Cc1nc2ncnn2c2c1CC(C)N2C(C)C"]
["159138359","C[C@H]([C@H](N)C#N)N1C[C@H]2C[C@H]2C1"]
["159202667","C[C@@H]1CN(c2nc(=N)[nH][nH]2)[C@H]1C"]
["16260657","CCOC(=O)c1sc(N=C(O)[C@H]2CC(=O)N(C(C)C)C2)nc1C"]
["94100220","CC1SCCN(c2ccc([C@H](C)O)nc2)C1C"]
["146725552","Cc1nc(C)c(C(=O)N2CC(C)NCC2C)s1.Cl.Cl"]
["132236732","CC(C)Cn1c(N)c(C(=O)CN2CC(C)C3CCCCC32)c(O)nc1=O"]
["170522800","Cc1nc(C(C)C)c2c(c1C)N(C)[C@H](C)CC2C(C)C"]
["MCULE-2316590096","CC1CC(C)CN(C(=O)C(C)N=C(O)c2cc3ccccc3n2C)C1"]
["MCULE-2569441546","CC(C)N1CC(c2nnc(SCc3nc(O)c4ccccc4n3)n2N=Cc2ccccc2Cl)CC1=O"]
["180084288","Cc1cc(B(O)O)c[n-]c1=IC(C)(C)C"]
["88000892","CCn1cnc2cc(C(C)(C)NC)ccc21"]
["69815149","OB(O)c1cnc(OC(F)(F)F)nc1"]
["64599366","CC(C(=O)O)C(C)(O)c1ccc(F)cc1Cl"]
["162888920","Cc1cc(C)c(O)c([C@](C)(N)C#N)c1"]
["87946335","Cc1ccc(OCc2nc(C(C)(C)C)c(CO)s2)cc1C"]
["179125264","C=C(C)S(=C)(O)=Nc1cc(C)c([O-])c2ccccc12"]
["166231074","Cc1cc(=O)oc2cc([O-])c(S(=O)(=O)O)cc12.[Na+]"]
["94490331","CNCC(C)(O)Cc1cc(F)ccc1C"]
["87150695","Cc1cc(CNCC(C)(C)CO)c(C)s1"]
["96986096","Cc1ccccc1C(=O)CC(C(=O)OC(C)(C)C)C1=CC(=O)OC1C"]
["55880241","[2H]C([2H])([2H])Sc1cccc(B(O)O)c1"]
["179701107","C=CCCc1ccc(Cc2cccc(CC=C)c2Oc2ccc(P3(=O)Oc4ccccc4-c4ccccc43)cc2)c(Oc2ccc(P3(=O)Oc4ccccc4-c4ccccc43)cc2)c1Cc1cccc(CC=C)c1Oc1ccc(P2(=O)Oc3ccccc3-c3ccccc32)cc1"]
["187112452","C=CCOc1ccc(CCC(C(=O)OC(C)(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1"]
["144871477","Cc1cnn(-c2ccccc2CCC=O)n1"]
["180125050","C=CCCc1csc2c1ccc1c3ccc4c(C=C)csc4c3ccc12"]
["62346459","C=CCCc1ccc2cc(C3CCC4CC(C)CCC4C3)c(F)c(F)c2c1F"]
["33440338","C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c[nH]c3c(CC=C(C)C)cccc23)=C(OC)C1=O"]
["76684578","CCOc1ccc(N(C=C2CCOc3ccccc32)C=C2CCOc3ccccc32)cc1"]
["132621567","C=CCCN1C(=O)c2ccccc2CS1(=O)=O"]
["30898833","CCCc1nc(C)n(-c2ccc(OC(C)(C)C)cc2)c(=O)c1Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1"]
["164411873","COc1ccccc1CN=C(O)CCc1cc2c(n1-c1ccc(C)cc1F)-c1ccccc1OC2"]
["104823153","COc1ccc(O)c(CNC[C@@H]2Cc3ccccc3O2)c1"]
["173294784","O=P(O)(c1cc(O)ccc1O)c1ccccc1-c1ccccc1O.O=P1(c2cc(O)ccc2O)Oc2ccccc2-c2ccccc21"]
["184346964","C1=Nc2c(-c3cccc4nc[nH]c34)ccc(=c3cccc4c3=CO[N-]4)c2=I1"]
["194739423","C1=CC2=c3ccc4c(c3=CC2=[Si]=C1)[N]c1ccccc1-4"]
["CSSS06873203710","CC(C)(O)C1(CNCc2ccc3nc[nH]c3c2Cl)CC1"]
["126134242","CC1c2ccccc2OC1C(O)=Nc1cccc2nc[nH]c12"]
["123140597","Cc1cccc(N=C(O)N2CCCC(C(O)=Nc3cccc4nc[nH]c34)C2)c1"]
["MCULE-6573055212","CSc1ncc(-c2cccc3nc(O)oc23)cn1"]
["177330921","CC(O)=NC1CCN(c2nccc3nc[nH]c23)CC1"]
["181250196","CC(=O)c1cccc(-c2cccc3nn[nH]c23)c1O"]
["183957962","[N-]=[N+]=NC(O)=NC1CCC(N=C(O)c2cccc3nc[nH]c23)CC1"]
["MCULE-3962224281","CCCCC=Cc1ccc2nc[nH]c2c1C"]
["143681362","CC1(C)CC(=O)c2cc(C(=O)Nc3cccc4nc[nH]c34)c(O)nc2C1"]
["MCULE-4959455815","O=[N+]([O-])c1ccc(C(O)=Nn2cnnc2)c(-c2cnc3ccccc3c2)c1"]
["194511193","CCC12CCC(C[NH+]=C(O)C34CCC(C(O)=NCC56CCC(CN(C)CC78CCC(CS(=O)(=O)O)(CC7)C8)(CC5)C6)(CC3)C4)(CC1)C2"]
["92335089","CN(CC1(O)CCOCC1)S(=O)(=O)c1cnccc1Cl"]
["2028463","CC(C)C[NH+]=C(O)N1C[C@@H](C)N(CCN(C)C)[C@@H](C)C1"]
["135401809","CN(C)CC1(CNC(O)=NCC2CN(C)CCO2)CCCC1"]
["140030060","COC(=O)CCN(C)S(=O)(=O)NCC1(c2c(F)cccc2F)CCCC1"]
["2061909","CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(O)=NCC2CCCCC2)c1"]
["128426141","COCCN(Cc1ccco1)C(O)=NCC(C)N(C)C1CC1"]
["55605904","COc1cccc(CN(C)CC2(C(=O)O)CCCC2)c1"]
["132750012","COC1(CN=C(O)c2sccc2S(=O)(=O)C(F)F)CCCCC1"]
["132730080","CCCN(C)C(O)=NCC1(c2ccccc2C)CCOCC1"]
["96434357","Cc1ccc(C(O)=NC2(CBr)CCCC2)cc1Br"]
["122728899","CC(C)C1(CN=C(O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1"]
["99865995","CC(C)=CC/C(=C(/C)C(CC=C(C)C)CC=C(C)C)C(CC=C(C)C)(CC=C(C)C)c1c(O)c(CC=C(C)C)c(CC=C(C)C)c(CC=C(C)C)c1CC=C(C)C"]
["186829285","CC(C)=CCc1c(O)c2c(c(C(=O)C(C)C)c1O)OC1(C2)OC(C)=C(C)C1=O"]
["52889593","C=C(c1ccccc1)C(CC=C(C)C)c1ccccc1"]
["153778993","C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H]3C[C@@H](C(C)(C)O)[C@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](C[C@H](O)C(C)(C)O)(C2=O)C3(C)C"]
["167415718","CC(=O)OC(CC=C(C)C)=C1C(C)=CCC1C=C(C)C"]
["183834283","CC(C)=CCc1c(O)cc(C)c(N=[N+]=[N-])c1O"]
["175639358","C=C(C)C(CC=C(C)C)Cc1c(OC)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O.CC"]
["153730489","C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O"]
["186385404","CC(C)=CCC1=C([O-])C(C(=O)CC(C)C)=C([O-])C([O-])(CC=C(C)C)C1[O-].[Pb]"]
["153169120","COc1cc(O)c2c(=O)c3c(oc2c1CC=C(C)C)-c1cc(O)c(O)cc1O[C@H]3C=C(C)C"]
["145283824","COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)C=Cc1cncc(Cl)c1"]
["90490848","COc1cc(C=Cc2ccccc2)c(C(=O)O)c(OC)c1CC=C(C)C"]
["197108483","[18O]=C[C@@H]([18OH])[C@@H]([18OH])[C@H]([18OH])[C@H]([18OH])C[18OH]"]
["197108573","[18O]=C[C@@H]([18OH])[C@H]([18OH])[C@H]([18OH])[C@H]([18OH])C[18OH]"]
["178576202","[CH2-]CC([CH2-])OCCl.[U+2]"]
["78582562","[2H]CN(C)C(C)[13CH]=[18O]"]
["167345334","CCCC/C(C)=C\\C(SCC)SCC"]
["174047863","CCNC(=CC([SiH3])NCC)NCC"]
["101313454","CC[C]1C(C#N)=CC=CC1=CCC(F)F"]
["78582564","CCC(C)C([13CH]=[18O])N(C)C"]
["174979405","CC(C)=CC(O)C=C(C)CCO"]
["197108294","[18O]=C[C@@H]([18OH])[C@H]([18OH])[C@@H]([18OH])[C@H]([18OH])C[18OH]"]
["173363619","CC(C)OCCC(C=O)CCOC(C)C"]
["101138464","C=CC[18OH]"]
["161752794","[CH-]=[N+]=C1[N-][CH+]NC1=[C-]N.[Pt]"]
["161754143","[CH-]=[N+]=C1[N-][CH+]NC1=[C-]N.[Zn]"]
["180153934","C.[CH-]=[N+]=[C-]C1=C=I1.[U+2]"]
["150302277","[C-]#[N+]c1cnc(B(O)O)cn1"]
["70263840","CC=C1N[CH+][N-]C2=C1N=C=N2"]
["175995464","[B+]=C1CCC1=[N+]=[CH-]"]
["109591577","[C-]#[N+]c1cc(N)c[nH]1"]
["65991820","[Si+]=C1[N-][N-][CH+]N1"]
["91674063","[N-]=[N+]=NCCCCC1=CC(=O)CCC1"]
["73869508","[CH-]=[N+]=C1N=C=CCN1"]
["184615428","NC1(C2OCCc3sc#cc32)CC1"]
["173201384","[CH-]=[N+]=C1N[N-]NC1=C=C.[Li+]"]
["172379160","[2H]CC(=O)C(=O)[C@@H](O)[C@](O)(C(=O)C[2H])[C@@](O)(C(=O)C[2H])[C@H](O)C(O)C(=O)C[2H]"]
["42227197","CC(=O)CC(O)(C(C)=O)C(C)O"]
["134479810","CC(O)=Nc1ccc(NC(=O)C(SC(C)C(C)O)C(C)C)cc1"]
["90537646","CC(F)(F)C(C(=O)O)C(O)C(=O)O"]
["172349614","CCOC(=O)C(Cl)(Cl)C(O)(Cl)C(Cl)Cl"]
["167281650","C=C[C@@H](C)[C@@H](O)C(C)=O"]
["79938302","COCC(O)CN(C(=O)CO)N(C(=O)CO)C(C)(O)CO"]
["162064887","CC(C)C(O)C(C)(O)C(=O)O"]
["197304179","CCOC(OCC)C(O)C(=O)OC"]
["162308520","CC(C)C(N)C(O)C(F)(F)F.O=C(O)C(=O)O"]
["84176275","CCN(CC)C(=O)C(F)(F)C(O)O"]
["184460650","CC(=O)C(CC(=O)I)NI"]
["191786365","C.C[n+]1ccn(-[c+]2[n-][c+](N=C3C=CC(=C(O)O)C=C3)[n-][c+]([N-]C3=C=CC(=C(O)O)C=C3)[n-]2)c1.C[n+]1ccn(-c2nc(N=C3C=CC(=C([O-])O)C=C3)nc(N=C3C=CC(=C(O)O)C=C3)n2)c1"]
["65026224","Cc1cc(C)c(Cn2cc[n+](C)c2)c(C)c1Cn1cc[n+](C)c1"]
["56286295","C[C@H](N)C(O)=NCCCCCCn1cc[n+](C)c1"]
["60034999","CCN(CCn1cc[n+](C)c1)c1ccc(Nc2cc(O)c(N)nc2Nc2ccc(N(CC)CCn3cc[n+](C)c3)cc2)cc1"]
["48401472","Cc1c(Cl)cc(N=C(O)Cn2cc[n+](C)c2)c([O-])c1Cl.Cl"]
["174158211","C=CC(=O)[O-].CCCCCCn1cc[n+](C)c1"]
["75678628","Cn1ccnc1CCCNc1cc(NCCCn2cc[n+](C)c2)c(Cl)cc1[N+]([O])=O"]
["193560254","C[n+]1ccn(CCCS(=O)(=O)[O-])c1.O=S(O)O[O-]"]
["51796254","CC(O)=NCc1ccccc1-c1ccc([C@H]2O[C@@H](CSc3nccn3C)[C@@H](C)[C@@H](c3ccc(CO)cc3)O2)cc1"]
["198598916","C/C(=N\\Nc1ncnc2cc(F)ccc12)c1ccc(-n2cc[n+](C)c2)nc1"]
["81225281","CN1C(=O)C2C(=[N+](C)C1=O)N=CN2CCCC(=O)N=C1C=CC(=C(O)N2CCc3ccccc32)C=C1"]
["33546297","C[n+]1ccn(CCCSC(=S)n2ccnc2)c1.F[P-](F)(F)(F)(F)F"]
["195852636","Cc1pppc2c1C1(c3ppppc3-c3ppppc31)c1ppppc1-2"]
["149936131","Cc1cscc1N=S"]
["115008563","CCC1CCC(O)(CNc2cccc(C)c2N)CC1"]
["177845817","Cc1ccppp1"]
["157306378","Cc1cscc1N=C(O)[C@@H]1C[C@@H]1C(=O)O"]
["92230259","Cc1cscc1C(N)C1CC(C)(C)OC1(C)C"]
["181828261","Cc1cccc(Br)c1OC(=O)CO"]
["94799550","Cc1cscc1C(NN)C1CC(C)(C)OC1(C)C"]
["91851765","CNC(c1cscc1C)C1CC(C)(C)OC1(C)C"]
["187157497","CC.Cc1cscc1Cl"]
["94021646","Cc1cscc1NC1CC(C)(C)OC1(C)C"]
["156590905","Cc1cccc(Cl)c1NC(O)=N[C@@H]1CC(C)(C)OC1(C)C"]
["187857802","C=N/N=c1\\sssc2nnc(ssc3nnc(ssc4nnc(ss1)s4)s3)s2"]
["195601182","C=Nc1ncc([N+](=O)[O-])s1"]
["13024822","OC(CN=C(O)C1CC1)=Nc1nnc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1"]
["106002723","C[C@@H](N)c1nnc(N=C(O)C23CC4CC(CC(C4)C2)C3)s1"]
["886576","CC(C)c1nnc(N=C(O)CC23CC4CC(CC(C4)C2)C3)s1"]
["91595073","Sc1nnc(CCc2nnc(S)s2)s1"]
["150489435","C=c1nnc(=C)s1"]
["158001600","Sc1nnc(N2C3CCC2CC3)s1"]
["73979733","C=NNCc1ncc(Cl)s1"]
["2354630","CC(C)c1nnc(N=C(O)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1"]
["159409772","C=Cc1ccc(=NN=C)[nH]n1"]
["187766207","n1nc2sc1SSc1nnc(s1)SSc1nnc(s1)SSc1nnc(s1)SS2"]
["179911449","CCI=C1[C-](C)C(P)=C2C(P)=C(P)C(P)=C(P)C2C1P"]
["194706961","CCI=c1ccc(C(F)(F)F)c[cH-]1"]
["87439875","CCc1nsc(N2CC(CN)CC2C)n1"]
["183466095","CCSC1CC(C)C1=O"]
["189895313","CCC1(Oc2ccc(C(=O)OCC(F)(F)C(=O)[O-])cc2)CC2CCC1C2"]
["179550446","CC(C)(C)N1C(=O)C2CC(CC(F)(F)F)CCC2C1O"]
["179164942","CCI=c1ccc(N)c[c-]1F"]
["MCULE-3008145244","COc1ccc(C2CC2CC#N)cc1Cn1cccn1"]
["180540674","CCC(CC)C(=O)OCCOC(=O)C1=C(C(=O)O)CCC1"]
["157940230","CCc1nsc(N2C[C@@H](Cl)C[C@H]2C)n1"]
["180155302","CCI=c1scc[c-]1CC"]
["197294017","CCC(C)(C)CN1OCC(N)C1=O"]
["180465803","C=I/C=C\\C1=C(C)c2cc3c(cc2=I1)-c1cc(C2=C[N-]C(=C4CN5C=CC=C=C5[N-]4)C=C2)ccc1I=3"]
["184743791","Cc1ccc(F)c2cc(C(=O)N=C3C=CC=c4c3c[nH]/[n+]4=C\\C3CCC([NH3+])CC3)[n-]c12"]
["MCULE-6390562764","CN1CCC(N=C(O)Cc2cc(-c3ccnc(F)c3)ccc2F)CC1"]
["196873442","CCC(CC)C(=O)/C=C(\\O)C(CC)CC.Cc1ccc2c3c4c(cc2c1)=S=C1C=CC=C=C1C=4[N-]C=C3.[Ir]"]
["75069631","Cc1ccc(-c2ccc(C3(c4nnc5n4CCS[C@](C)(CO)C5)CC3)c(F)c2)nn1"]
["180419271","CCC1=C(C=CC([NH-])c2cc(C3=CCCC=C3)ccc2[NH3+])C2I=CCC2CC1"]
["176285956","C=Cc1cccc(C)c1C=C.Cc1ccccc1-c1c(C)ccc2ccc(-c3ccc4cc(C5=CCCC=C5)ccc4c3)cc12"]
["29173945","Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CN(C)CC(O)=N3)sc2ccc(F)cc12.Cl"]
["184145546","C=IS(F)(F)C1=CC2=c3ccccc3=IC3C(c4ccc(-c5cccc(C)c5CCC)cc4-c4cccc[n+]43)N2C=C1"]
["180545623","CNC=C1C(C)=C(c2nc(C)cc3cc[nH]c23)C(C)=NC1=[n+]1c(C)ccc2c1=CC=N2"]
["58124859","Cc1cccc2ccc(CC3=CC=C4C=CC=C=C4[N-]3)nc12.[Y]"]
["186758255","O=C(O)CCc1cc(C2=CCCC=C2)ccc1O"]
["168544976","CCCCC[Si-](C1(C)CCCC[Si+]1CC)C12[Si+](C)CCC[Si+]1C([Si-])(CCCC)[Si-]2C"]
["78237754","CCCCCCCCCCC1([SiH](Cl)Cl)CCCCC1"]
["182966410","CCCCCCCCCCCCCCCCCCCCCCCCC1(N=[N+]=[N-])CCCCC1"]
["91072945","CCCCCC1C=C(O)C2(CCCCC2)O1"]
["25571399","CCCCC1(C)CCC(C)(C2=CC=CC2)C2=C1C=CC2"]
["174857224","CCCCC1(P(CC)CC)CCCCC1"]
["171477161","CCCCC[Si+](CCCCC)N[Si-](CCCCC)CCCCC"]
["190741787","CCCCC[N+]1(CCCC)CCCC(S(=O)(=O)C(F)(F)C(F)(F)F)(S(=O)(=O)C(F)(F)C(F)(F)F)C1(C)C"]
["114648183","CCCCCSC1CCCC(NC)(C(=O)O)C1"]
["78994740","CCCCCC1(C)CCC(C)(C)C1"]
["49583739","C=C(C)N1C(=O)C2(C=C1CCCC)CCCC2"]
["29208202","CCCCn1c2c(cc(C(=O)NC3(C(=O)O)CCCCC3)c1=O)CCCC2"]
["183132887","[N-]=N[N+]#SC(SCC(F)F)(SCC(F)(F)F)C(CCF)(SSC(F)(F)F)C(F)(SCC(F)C(SCF)SC(F)F)SC(F)(F)C(F)(F)F"]
["181464002","CC(F)CSC(SC(F)(F)C(F)(F)F)(S#[N+]N=[N-])C(SCC(F)(F)Cl)(SCC(F)(Cl)Cl)C(Cl)(SCCCF)SCC(Cl)CSCC(F)Cl"]
["182468511","CCCCCSC(CC(OCC(F)(F)F)(SC)C(SCC)(SCCC)C(SCCCC)(SC(C)C)C(SCC(C)C)(SC(C)CC)S#[N+]N=[N-])(SC(C)CCC)SC(C)(C)C"]
["181481306","[N-]=N[N+]#SC(SC(CC(F)(F)F)(SCC(Cl)(Cl)Cl)SC(F)(F)C(F)(F)F)(SC(F)(F)C(F)(F)F)C(Cl)(Cl)Cl"]
["183469474","CCCCCCCCCCSC(CCCCCCCCCCCS#[N+]N=[N-])(SCCCCCCCC)SC(C)(C)CC"]
["181344826","CCCCSC(SCCCC(F)(F)F)(SC(C)C)C(SCC(C)C)(S#[N+]N=[N-])C(SCC)(SCCC)C(SC)(SC(F)F)SC(F)(F)F"]
["181587194","CCCCCCSC(SC(F)(F)F)(S#[N+]N=[N-])C(SCCC)(SCCCC)C(CCCCCCC(SCC(CC)CCCC)(SC1CCCCC1)SC(C)(C)C)(SC)SCC"]
["182031681","CC(CS#[N+]N=[N-])(C(F)(F)F)C(F)(F)F"]
["183682909","[N-]=N[N+]#SC(F)(F)C(F)(F)SC(SC(F)F)(SC(F)Cl)C(F)(F)F"]
["181987957","CCCCCCCCCCCCCCCCSC(SCCCCCCCCCCCC)(S#[N+]N=[N-])C(CC)(SCCCCCCCC)C(SCC)(SCCCC)C(CC)SC"]
["182880315","CCCCS[C@](SC(C)CC)(S#[N+]N=[N-])C(C)(C)CSC(C)C"]
["182261408","CCCCCSC(SC(C)CCC)C(C)(C)C(CCC(C)C)(SSCC(C)CC)S#[N+]N=[N-]"]
["46524312","C=C1OC(F)(F)C2(C(F)(F)O1)C(F)(F)OC(=C(F)F)OC2(F)F"]
["97184989","C=CCC1=C(C)C(=O)C[C@@H](C(=C)C)C1"]
["74473538","C=C1CN(c2ccc3c(c2)OC(F)(F)C(F)(F)O3)C(=NC(C)=O)S1"]
["78807140","C=C1O[C@H]([C@@H](O)OCC)C/C1=C/C(F)=C\\CBr"]
["175477108","C=C(C)C1(F)C(F)=C(F)C(F)(C(=C)C)C(F)=C1F"]
["99843394","[B][C@@H]1O[C@](F)(C(C)O)[C@@H](O)[C@H]1O"]
["58261351","C=CC(=N)N/C=C(\\N)c1cc2c(cc1C)OC(F)(F)O2"]
["173884535","O=C(O)C1=CCNC2(CCCCC2)O1"]
["52178495","CCC1(F)OC(=O)SC1(F)CC"]
["171562139","C[Si](C)(CF)CBr"]
["162078915","CC1(C(F)(F)F)OC(=N)N=C1O"]
["51929541","C=C1C(C)(C)OC(=O)C1(C)C(=O)OC"]
["195962704","N[NH+]([O-])OOOC1=CC(OOO[NH+](N)[O-])C1OOO[NH+](N)[O-]"]
["90762445","COC1C=C(CN)C(O)C1O.Cl"]
["184235679","CC1=CC(C)C(N)C([N+](=O)[O-])=C1"]
["91369789","CC1=CC([N+](=O)[O-])C=NC1=NN"]
["195601343","COOO[NH+]([O-])c1ccccc1"]
["103369756","NC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1"]
["170114992","NCC1=CC2C=NC=CC2S1"]
["178424785","COC1C=CC(CN)=C[C@H]1OC"]
["80664146","COC1=CC=C(Cl)C2=NC=C(C(=O)[O-])C(=O)C12"]
["195301057","C/[N+]([O-])=C1/C=CC2C=C([NH+](C)[O-])C=CC2=C1"]
["188200588","COC1C(=N)C(=O)C1N"]
["173155797","COC1=CC(N)=CC(C(F)(F)P)C1"]
["26050425","C1=NOC(=C2[N]N=C(c3cnon3)O2)N=1"]
["182909132","[N-]=[N+]=NCCNc1cnon1"]
["79576135","C(/C=C/c1ccccn1)=C\\c1cccc(-c2cnon2)c1"]
["64952888","c1nonc1C1=Nc2cncc(CNC3CCNCC3)c2C1C1CC1"]
["26251300","O=[N+]([O-])Cc1cnon1"]
["162557082","CCC1CC1N=C(O)c1cnon1"]
["173120086","O=c1onc(-c2cnon2)n1-c1ccc(F)c(Br)c1"]
["184136603","C[C]1N=C=NO1.[Al].[CH2]"]
["90009923","CC(N=C(O)c1cnon1)C1CC2CCC1C2"]
["76091047","[c]1cc(-c2cnoc2)no1"]
["192902576","Nc1cnon1.O=C(O)C(F)(F)F"]
["115368811","CC(C)(C)N=C(O)c1cnon1"]
["100986487","O[C@@H]1CO[C@H]2[C@@H]1OC[C@]21CN[C@]2(O1)[C@@H]([C@@]1(O)CO[C@@H]3[C@H](O)CO[C@@H]31)O[C@@H]1[C@H](O)CO[C@@H]12"]
["82829994","CC(C)C1OC2C(O)COC2C1O"]
["51453330","CCCC(=O)O[C@@]1(O)CO[C@@H]2[C@H](O)CO[C@@H]21"]
["80967186","CC1=NC(C)=C(C(=O)C2(O)COC3C(O)COC32)C(c2cccc([N+](=O)[O-])c2)C1C(=O)OCCC#N"]
["107822321","CC(C)[C@@H]1CN[C@](C)(c2cc(Cl)ccc2O)CO1"]
["66360072","COCCOCCOC[C@@H](O)[C@@H](O)C1OC(O)(C(=O)O)C[C@H](O)[C@H]1C"]
["161352209","CNC(CCCCNCC1(O)OCC(O)C2OC21)C(=O)OC"]
["188643353","O=C1OC[C@@]2(O)CO[C@@H](O[C@H]3[C@@H](OC[C@@H](O)[C@H]3O)Oc3ccc(O)c1c3)[C@@H]2O"]
["103101175","COc1ccc([C@@H]2OC[C@]3(O)[C@@H]2CO[C@H]3c2ccc(OC)c(OC)c2)cc1OC"]
["161899117","C[C@@H]1O[C@](O)([C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O"]
["56893234","OC1=NC[C@@H](O)[C@H]2O[C@@H]12"]
["187956941","O[C@@H]1CO[C@H]2[C@@H]1OC[C@]2(O)C1CO1"]
["194366311","CN=C/C=C/C=C/C=C\\[OH2+].C[NH+]=CC=CC=CC=CO"]
["173457470","C=C(/C=C\\C=NC)CC[N-]C(=[OH+])[c+]1cccccc1"]
["179173658","CN=CC=CNI"]
["99770614","C/C=C(/C=C\\C=NC)[C@@H]1CO1"]
["58726633","CN=C/C=C\\P(=S)(c1ccccc1)c1ccccc1"]
["179139220","CCCC(/C=C\\CO)=C/C=NC"]
["173136743","C#C/C=C\\C=NC"]
["185970844","C/C=C\\C(=C/C=N\\C)NC"]
["176945655","CCCC/C=C/C=C/C=C/C=N/N"]
["198372473","C=C/C(=C\\C=C(\\C)CC)C(C)CC(N)C1C=CC=C1CC(=CC=CC=NC)C(CC)C(C)CC"]
["174520705","C/C=C\\C(C=C/C=C/O)SC"]
["101582043","C/N=C/C=C\\c1ccc(/C=C\\C=N)c(C)c1C"]
["77030319","[C-]#[N+]c1c(-c2ccc(Br)s2)nc2c(c1=c1cccc3c1=N[O+]=N3)=CNN2"]
["58745146","CCCN=c1[nH]c(-c2ccc(Br)s2)no1"]
["53488932","COc1cccc(C2C=C(c3ccc(Br)s3)N=C3N=NNN32)c1OC"]
["MCULE-5274638911","OC(Cc1ccc(F)cc1F)=Nc1nccc(-c2ccc(Br)s2)n1"]
["155905875","C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(F)cc3)c2)N1"]
["32426305","N=C(O)[C@H]1COC(c2cn(-c3ccccc3)nc2-c2ccc(Br)s2)N1"]
["73808060","[O]c1cccc2c1Cc1sc(SCc3ccccc3)nc1-2"]
["74573464","FC(F)(F)c1cc(-c2ccc(Br)s2)n(-c2cccc(Cl)c2Cl)n1"]
["MCULE-3113805375","CC[C@H](C)[C@H](NC(=O)c1cc(-c2ccc(Br)s2)[nH]n1)C(=O)OC"]
["96478052","Nc1ccc(-c2ccc(Br)s2)cc1N"]
["3387595","Cc1cccc(N=C(O)/C(C#N)=C\\c2ccc(Br)s2)c1C"]
["96531251","CCCCC(C)(C)OC(=O)c1ccc(-c2nc3c(-c4ccc(Br)s4)sc(-c4ccc(Br)s4)c3nc2-c2ccc(C(=O)OC(C)(C)CCCC)cc2)cc1"]
["75133865","[C+]1COC2[C-]COC12"]
["93406509","CC(C)CCCC(CC1CCCCO1)NN"]
["61849360","C1COCC(NC2CCOCC2)C1"]
["75598378","FC(F)(F)C1C[N]CCO1"]
["99809532","O[Si](C1CO1)C1CO1"]
["74926478","O=S(C1OCCOO1)C1OCCOO1"]
["167404490","C=C1C=C(C)CC(c2ccc(Cl)cc2)OC1"]
["73886380","CC(C)CCCC[CH]CC1CO1"]
["104042859","CC1=C2[C@H](C)C[C@@H]3OC(=O)[C@@H](C)[C@H]3[C@H](O)[C@H]2CC1=O"]
["2269613","C(CCC[C@H]1CO1)CC[C@H]1CO1"]
["99748583","[B+]=C1[C-]=CC(C2OCCO2)C=C1"]
["63542525","C1COCC(NC2CCOC2)C1"]
["161791873","C[Si]1(C)C#C[Si](C)(C)C#C[Si](C)(C)C(Br)C(Br)[Si](C)(C)C#C1"]
["97593483","C[Si]1(C)C#Cc2cc(C#Cc3ccccc3)ccc2C#Cc2ccc(C#Cc3ccccc3)cc2C#C1"]
["180586923","CN1C(Br)=CC=CC1Br"]
["161886569","C[Si]1(C)C#C[Si](C)(C)C#C[Si](C)(C)/C=C\\[Si](C)(C)C#C[Si](C)(C)C#C1"]
["162596047","C[Si@@]1(Cl)C=C[C@H](Br)C1"]
["96555865","CC(C)[Si]1(C(C)C)C#C[Si](C)(C)C#C[Si](C(C)C)(C(C)C)C#C[Si](C)(C)C#C[Si](C(C)C)(C(C)C)C#C[Si](C)(C)C#C[Si](C(C)C)(C(C)C)C#C[Si](C)(C)C#C1"]
["161787212","C[Si]1(C)C#C[Si](C)(C)/C=C\\[Si](C)(C)/C=C\\[Si](C)(C)/C=C\\[Si](C)(C)C#C1"]
["161649931","C[Si]1(C)C#C[Si](C)(C)C#C[Ge](C)(C)C#C[Si](C)(C)C#C1"]
["172755542","C[Si]1(Cl)CCC(Br)C1"]
["84059491","C[Si]1(Br)[Si](C)(Br)[Si](C)(Br)[Si](C)(Br)[Si](C)(Br)[Si]1(C)Br"]
["152027868","C[Si]1(C)CC[C@@H](Br)C1"]
["100381683","CN1C(CN)=CC=CC1Br"]
["173048052","O=C(OC([O-])/C1=C/C=C\\C=[C-]/C=C\\[B+]1)/C1=C/C=C\\C=C/C=C\\[B+]1"]
["185630258","O=C([O-])NC1=CC=CC=CN1"]
["97752463","COC(=O)C[C@@H](OC(=O)c1ccccc1C)C(=O)OC"]
["23640649","COc1ccccc1/C=C(/C(=O)OC(C)C#N)c1ccccc1"]
["181816442","Nc1c(C(=O)[O-])cnn1-c1cccc(Cl)c1F"]
["46573342","COc1ccc(Cl)cc1/C=C(\\C(=O)O)c1ccccc1"]
["170747581","O=C1N2CC(N1OC1=C/C=C\\C=C/C=C\\1)C1(CC1)CC2C(O)=NN=CO"]
["29092394","O=C(OC(C(=O)C1=CCCC=C1)C1=CC=CCC1)c1ccc2c(c1)C1=C(C=CCC1)C2=O"]
["184396755","CCC1(OC(=O)C(C)C)Cc2ccccc2C1"]
["164300612","COC(=O)c1ccc(NC2N=C(c3ccccc3Cl)c3cc(Br)ccc3N=C2O)cc1"]
["52220806","CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(C(C)C)cc2)cc1"]
["173333422","[C-]1=CC=CC=CC=C1.[Ni]"]
["195448757","[C-]1=CC2[I+]C3C(=[C-]1)C23"]
["34596071","O[C@@H]1CO[C@@H]2C[C@H]1Nc1c(Cl)cccc12"]
["173268470","CC=C1[C-]=CC(C)C=C1.[W]"]
["183128355","O=C([O-])C1SSC=C1Cl"]
["26619809","Cl[C]1C=CC(=C2C=C=NN2)C=C1"]
["75789140","O=C(O)OC1Cc2cc3c(cc2CC1OC(=O)O)CC1OC(=O)OC(=O)OC1C3"]
["76791798","CC12C=CC(C)(O1)C1C=CCC=C12"]
["178925630","IC1C=[C-]NN=C1.[U]"]
["173204810","CC=C1[C-]=CC(C)C=C1.[U]"]
["165827606","O[C@@H]1CNC[C@H]1Sc1cccc(Cl)c1"]
["189948658","CC=C1C=[C-]C(Cl)C=C1.[Rb+]"]
["195623056","CN1[I+]COC2=C=[C-][CH-]CC21"]
["179853245","C1C2C3[I-]C4CC5C6CC1[I-]41C5C2C3C61"]
["179024331","C[C@@H](I)C1C2[C@H]3[I-]C(C4C[C@H]1C43)[I-]2(C)C"]
["180437229","[OH2+]C1CCC2C(C1)C1CC21"]
["179694219","CC1CC2C1[I-]C1[C@H]2[C@@H]1C"]
["178811255","CC1C2CC3CC2C2CC4CC1[I-]342"]
["75896998","CC1(C)C[C@@H]2[C@@H](C=O)N(C=O)C[C@@H]21"]
["55292336","CC1(C)CC2C(C=O)N(C=O)CC21"]
["76157972","[CH]1CC2CC1C1C2CC2OC21"]
["179424176","CC12[I-]C3C4CC5[C@H](C4C31)[C@@H]52"]
["180066420","CC1CC2C[C@H]3C([I-]1)[C@@H]23"]
["179953072","C[I-]12CC3C4CC1C3C42"]
["180142615","C[C@H]1[I-]C2C3CCCC3C21"]
["96850927","CN(C)P([N]P(=NC(C)(C)C)([N+]#P(N(C)C)N(C)C)[N-]P(N(C)C)N(C)C)N(C)C"]
["162148349","CN(O)C(S)=NC(C)(C)C"]
["52662471","CC(C)(C)N=P(C)(C)C"]
["191263648","C=NP(=NC(C)(C)C)(N(C)C)N(C)C"]
["66140866","CN(C)/C=C/C(O)=NC(C)(C)C"]
["45306685","CC(=O)C(C)(C)CN(C)CCO"]
["23778994","CN(C)C(=NP(N=C(N(C)C)N(C)C)(N=C(N(C)C)N(C)C)=NC(C)(C)C)N(C)C"]
["130955152","CN(C)C(CN=C(O)NCC(C)(C)C(=N)O)c1c(F)cccc1F"]
["170603090","CN(C)[C]1C=CN([B-](=C2C=CC=C2)C(C)(C)C)C=C1"]
["85192914","CN(C)C(C)(C)COc1nccnc1Cl"]
["190141631","CN(C)P(N=Cc1ccc(C=NP(N(C)C)N(C)C)[nH]1)N(C)C"]
["147696544","CN(/C=N/C(C)(C)C)C(C)(C)C"]
["173087276","ClN1C=C(N=c2cc(C3CC3)[nH][nH]2)n2cc[nH+]c2C1"]
["148955338","CC(C)(C)c1cccc(N=c2cc(C3CC3)nc(Cl)[nH]2)c1"]
["178028858","C[C@@H](CF)N=C(O)O[C@@H]1CC[C@H](c2cc(=NC(=O)Cc3cnn(C)c3)[nH][nH]2)C1"]
["196601506","COCc1cc2n(n1)C=CNC2N=c1cc([C@@H]2CC[C@H](OC(O)=NC(C)C)C2)[nH][nH]1"]
["177227786","CN=C(O)c1cn(-c2cc3[nH]c(=NC)cc(C4CCOCC4)c3cc2OC)nn1"]
["19200417","Cn1ccnc1C(O)(c1[nH+]ccn1C)C1CC1"]
["196601171","Oc1cc(N=c2cc(C3CCCC3)[nH][nH]2)ncn1"]
["107638959","c1cn2ncc([C@H]3CCCNC3)c2o1"]
["70048939","CN1CCN(c2nc(N=c3cc(C4CC4)[nH][nH]3)nc(N3CC(O)CC3(C)C(O)=Nc3nccs3)n2)CC1"]
["158869408","C[C@@H]1C[C@@H]1c1cc(=NC(=O)[C@@H]2CCCS2)[nH][nH]1"]
["159930572","CC(C(=O)N=c1cc(C2CC3CCC2C3)[nH][nH]1)C1CCOCC1"]
["2156181","CSc1[nH+]ccn1-c1cccc(C(O)=NC[C@@H]2CCN(C(C)C)C2)c1"]
["65332940","c1ccc2c(c1)N=c1ccccc1=[As+]2O[As]1c2ccccc2[N-]c2ccccc21"]
["122065121","O=C(C=C1CCC1)N1CC(O)=Nc2ccccc21"]
["137556787","O=C(OCc1nnc(-c2ccccc2)o1)C1CC(O)=Nc2ccccc21"]
["90968556","NC(=C1N=c2ccccc2=N1)N(N)c1ccccc1"]
["61159859","CCOC(=O)CC1=CC(SC(CC)C(O)=Nc2ccccc2)=Nc2ccccc2N1"]
["175371348","CCN(C)CCC1C(O)=Nc2ccccc21"]
["99577855","Cc1cc2c(s1)=Nc1ccccc1NC=2NCl"]
["179785164","OC1=Nc2ccccc2[C@H]1I"]
["161880590","S=PS1=C[N-]c2ccccc21"]
["109607872","Cc1ccc([C@H]2CCCC[C@@H]2OC(=O)[C@H]2CC(O)=Nc3ccccc32)cc1"]
["25257889","OC1=Nc2ccccc2N=C(O)C1F"]
["165932263","CSc1ccc(CN(C)C(=O)C2CC(O)=Nc3ccccc32)cc1"]
["79572841","CNBc1cbnc(BNC)c1BNC"]
["149740018","CNc1cnc2oc(C)cn12"]
["199949957","CNCC(CF)c1ccc2occc2c1"]
["75871138","[2H]C1=[N+]=C(C)N=CC1[CH2-]"]
["112991941","CNc1cncc(NC(C)(C)CC(=N)O)c1"]
["138170179","COC(=O)[C@@H](C)N=C(O)c1scnc1C1CCCC1"]
["176355998","CC.CNc1cnc(C)nc1"]
["47152716","CCNCC(O)COc1c(OC)cccc1OC"]
["184251827","CN[C@@H]1CCC2=CCCC=C21"]
["200466999","CNC1=CC1.Cl"]
["178707285","CNc1cccc2cnsc12"]
["180814524","CC(=O)C(C)(I)NC1C(O)=NC2=CSSC21"]
["102985558","C[Ge+](C)[C@@]1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Ge]1=[Ge]1C([Si](C)(C)C)([Si](C)(C)C)CC[C@@]1([Ge-](C)C)[Si](C)(C)C"]
["157763535","CN=c1nc(C(=O)N2CCOCC23CCCC3)cc(C)[nH]1"]
["175238700","C[C@@]12C(=CC(=O)[C@@H]3CC31)C1(CC1)CC1C2[C@@H](F)C[C@@]2(C)C1C1CC1[C@@]21CCC(=O)O1"]
["176096148","C[Si](C)(C)C1(O)CCOC1"]
["100975423","C[Si](C)(C)C1([Si](C)(C)Br)CC[C@]([Si](C)(C)C)([Si](C)(C)Br)[SiH2]1"]
["114161792","CSC1(CN=c2nc(C)cc(C)[nH]2)CC1"]
["64740550","CCC1CCC(N)(c2nc3c(s2)COCC3)CC1"]
["67057997","C[Si](C)(C)C1([Si](C)(C)C)CCCC1"]
["34315290","C[Si](C)(C)P(C(=O)C1(Br)CC1)[Si](C)(C)C"]
["188329834","CC1(C)OB(Sc2c(C3OCCO3)ccnc2Cl)C1(C)C"]
["96959674","C[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Ge]1(Cl)[Ge](Cl)(Cl)Cl"]
["65870643","CSC1(SC)CCN([Si](C)(C)C(C)(C)C)C1=O"]
["64154503","C=C=C=[B-](C#CC)[C+]=C=C"]
["2574617","C=C=C=COCC"]
["173616303","CC#CCCC1CCO1"]
["90944897","[CH+]=[C+]C#CC"]
["174900382","C=C=N.CC"]
["91394490","C=C=[C+]O"]
["175272641","C=C.CC#CC=C(O)Cl"]
["61557519","C=C=C=[Si-](C(C)C)(C(C)C)C(C)C.[Li+]"]
["78547002","C=[C]C.Cl.[Zn]"]
["7885106","C=C=C(OC)[C@H](C)OCC"]
["167394826","C=C=C(C(C)C)C(C)C"]
["97780540","C=CC(=O)[Si](C#CC)(c1ccccc1)c1ccccc1"]
["171828754","CC#CC1C(F)C(F)C(F)C(C#C[SiH](C)C)C1F"]
["75560531","CC#C[C@H]1CN(C(=O)O)CCN1C(=O)O"]
["107869894","CC#C[C@H]1NCCc2c(F)ccc(F)c21"]
["104881288","CC#C[C@@H]1CCCCS1"]
["106927332","CC#C[C@H]1NCCc2c1cc(F)cc2C(F)(F)F"]
["74816899","C[C]1CCC(F)C(F)C1F"]
["186228380","CC#CC1[CH]CCCC1"]
["162974235","CC#CC(=O)N1CC2(CC(F)C2)C1"]
["104881307","CC#C[C@@H]1OCC[C@H](C)O1"]
["183014481","CC#C[SiH](CCC)CCC"]
["53263305","CC#CC1CC(O)C1"]
["34307135","CC#C[C@@H]1CCCC[C@H]1O"]
["172214762","c1ccc([Si](c2ccccc2)(c2ccc3c(c2)N(c2ccccn2)c2c(ccc4c2oc2ccccc24)[Si]3(c2ccccc2)c2ccccc2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1"]
["172775417","N=C(O)c1c(O)cc(CCc2ccccc2)n(-c2ccccn2)c1=O"]
["178055632","c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2oc3ccccc3c2cc1C1N=C(c2cccc3ccccc23)N=C(c2ccc3c(c2)sc2ccccc23)N1"]
["102404829","COc1ccc(S(=O)(=O)N2C[C@@H](C(O)=Nc3ccc4c(c3)oc3ccccc34)Oc3ccc(C(C)(C)C)cc32)cc1"]
["184652750","c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)n5)cc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1"]
["159398107","c1ccc2c(c1)Oc1ccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4cccc5c4oc4ccccc45)c3)cc1O2"]
["155083724","COCCN(Cc1ccc(OCc2nccn2C)cc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21"]
["172109489","CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccc([Si](C)(C)C)cn5)cc5c4oc4ccccc45)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]"]
["199219147","CC(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.[2H]C([2H])([2H])c1ccc(C2=C=CC(C(F)(F)F)[C-]=C2)nc1.[Ir]"]
["170253203","N#Cc1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3ccccc3)c2C#N)ccc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21"]
["198691478","C.O=C1[CH-]CC(n2c3cc(Br)ccc3c3cccnc32)C(=O)C1.[U]"]
["59463542","C(=C/c1nc2ccccc2c2oc3ccccc3c12)\\c1ccccc1"]
["78504005","CCC1CCN(CC)C2=C1C(CC)C1=C(N2CC)N(CC)C2=C(C1CC)C(CC)C1=C(N2CC)N(CC)C2=C(C(CC)C3=C(N(CC)C4=C(C3CC)C(CC)C3(CSc5sc6sc7sc8sc9c(n(CC)c8n(CC)c7n(CC)c6n(CC)c5N3CC)N(CC)CCS9)CN4CC)N2CC)C1CC"]
["43432370","CCN1CCSC1=CC=CC1=[N+](CCC2CCCC2)c2ccc3ccccc3c2C1(C)C"]
["4710348","CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)CC2"]
["84729528","CCC1CNC(C)(CC)CN1CC1CSc2ccccc21"]
["105698664","CCN1CCC[C@H]1CN=C1NC2(CCCCC2)CS1"]
["66296674","CCN1C[C@]2(COC)CC[C@@H](O)C34C5CC6C(O)C5[C@@](O)(C(C(OC)[C@@H]32)C14)C(O)[C@@H]6OC"]
["108315402","CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O"]
["199915482","C/C=C(\\C(=NC)c1cc2c(s1)C(=O)N(CC1CC1)CCS2)C(F)(F)F.CCCC"]
["194517560","CCN1C[C@]2(O)CC[C@H](OC)C34C1C(C[C@@H]32)[C@]1(O)C[C@H](OC)[C@@H]2C(=O)C(=O)[C@H]4[C@@H]21"]
["195038996","C[C@@H]1C2=C3[C@@H](CCN4C(=O)O[C@H]([C@H]2O)[C@H]34)[C@@]2(C=CC3=C2C(=O)CCN3)[C@@H]1C"]
["184144351","CCOC(=O)CN1CCC(CC)C1=O"]
["CSSS20621691943","CCn1nc(C(=O)N2CC(C)(CC)C2)c2c1[C@@H](C)O[C@@H](C)C2"]
["99597496","C[Si](CC(C(=[Si-])[Si](C)([O+]=[Si]=[Si-](C)(C)C)[O+]=[Si+][O+]=[Si]=[Si-](C)(C)C)=[Si-](C)([O+]=[Si]=[O+][Si-]=[Si-](C)(C)C)[O+]=[Si]=[Si-](C)(C)C)([O+]=[Si]=[O+][Si-]=[Si-](C)(C)C)[O+]=[Si]=[Si-](C)(C)C"]
["168568426","CC.C[Si](C)(C)O[Si](C)(CCN1CC(C(=O)O)CC1=O)[O+]=[Si]=[Si-](C)(C)C"]
["102659266","COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)N=C(S)N1CCC(=O)Nc1ccc(C)cc1"]
["99214260","C=C(CCCC[Si-](=[Si]=[O+][Si](C)(C)C)([Si-]=[O+][Si](C)(C)C)[Si-]=[O+][Si](C)(C)C)C(=O)O"]
["99610086","C[CH+]C(=[Si-])[Si-]=[O+][Si](C([O+]=[Si]=[Si-](C)(C)C)[O+]=[Si]=[Si-](C)(C)C)(C([O+]=[Si]=[Si-](C)(C)C)[O+]=[Si]=[Si-](C)(C)C)C([O+]=[Si]=[Si-](C)(C)C)[O+]=[Si]=[Si-](C)(C)C"]
["60760122","C[Si](C)(C)O[Si](C)(O[Si]=[O+][Si](C)(C)C)C(C(=C([O-])OCCC[Si-])[Si](C)(O[Si](C)(C)C)[O+]=[Si]=[O+][Si](C)(C)C)=[Si-](C)(O[Si-]=[O+][Si](C)(C)C)O[Si](C)(C)C"]
["14759405","Cc1ccc2c(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)coc2c1C"]
["102659257","COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)N=C(S)N1CCC(=O)Nc1ccc(C)cc1"]
["102659275","COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)N=C(S)N1CCC(=O)Nc1ccc(C)cc1"]
["63916892","C[Si]([O+]=[Si]=[O+][Si]=[Si-](C)(C)C)([O+]=[Si]=[Si-](C)(C)C)C(C(C[Si-])=[Si-](C)([O+]=[Si]=[O+][Si-]=[Si-](C)(C)C)[O+]=[Si]=[Si-](C)(C)C)=[Si-](C)([O+]=[Si]=[Si-](C)(C)C)[O+]=[Si+][O+]=[Si]=[Si-](C)(C)C"]
["60729836","C[Si]=[O+][Si](C)(C)[Si](C)(C[Si-])O[Si-](C)(C)=[Si-](C)(C)[O+]=[Si+]C"]
["46842640","C[Si](C)(C)O[Si](C)(CCN1CC(C(=O)O)CC1=O)[O+]=[Si]=[Si-](C)(C)C"]
["178259578","CC1=I23O[N+](C)(OC(C)(C)C(C)(C)OC12)C(C)(C)C3(C)C"]
["167387313","C#CC1(C)OC(C(C)C)OC1=O"]
["164337193","CC[C@@]12CC[C@@H](C1)C(C)c1ccc(C)cc12"]
["192907954","CC(C)C1O[C@](C)(C(C)C)CC1C"]
["33943624","C/C1=C\\CC/C(C=O)=C\\[C@H]2[C@@H](CC1)[C@]2(C)CO"]
["165800536","Cc1oc(C(C)C)cc1B1OC(C)(C)C(C)(C)O1"]
["162129567","CC1(C)COC(C2NC3CCC2C3)=N1"]
["97661018","C/C1=C/C[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H]2CC[C@@](C)(O2)[C@H](O)CC1"]
["34184565","C[C@H](O)[C@H](O)[C@@]1(C)O[C@@H]1c1ccccc1"]
["147838074","CC(B1OC(C)(C)C(C)(C)O1)C(O)c1ccc(F)cc1"]
["171191344","CC1(C)OB([C@H](N)c2ccccc2C#N)OC1(C)C"]
["84873191","Cc1ccc(C(C)NC2C(C)(C)C2(C)C)o1"]
["79829624","N#Cn1oc(=O)oss1.[K+].[K+]"]
["52910036","O=C1COCC(=O)N1CI"]
["MCULE-8193880210","N#Cc1ccc(-c2coc3ccccc3c2=O)s1"]
["199522974","N#Cc1cc(F)ccc1N1CC(=O)CC1=O"]
["3441710","Cc1c(C#N)c(=O)oc2ccc(F)cc12"]
["13564580","CC(=O)N1CO[C@@H](C)C1=O"]
["159296263","N#CCc1c(O)cc(F)cc1S"]
["183199942","C=C1SC(=O)OC1C#N"]
["97496146","N#CN1[GeH2]N(C#N)[GeH2]N(C#N)[GeH2]1"]
["105960052","CC(C)[C@H](C(=O)O)n1c(C(C)(C)C)ccc(C#N)c1=O"]
["163150411","N#CC(N)CN1CCOC(=O)C1"]
["168660508","Cc1c(C(=O)c2ccc(Cl)cc2)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N"]
["179615933","C1=C[N-]C2=S=C3C=IC=CC=C3C2=C1"]
["172179986","C1=CC=C2C3=CC=C[N-]C3=S=C2C=1c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1.CCC(CC)C(=O)/C=C(\\O)C(CC)CC.[Ir]"]
["175224398","[B+]=C1[N-]C=CC=C1[C@@H]1CCCN1C"]
["172120249","Cc1cc(C)c(-c2cc(C3=C=C(c4ccccn4)C4=S=C5[N-]C=CC=C5C4=C3)nc(-c3ccccc3O)c2)c(C)c1.[Pt]"]
["180386145","CC1=IC2=CC=C[N-]C2=C1"]
["171407321","C1=CC2=S=C3[N-]C=CC=C3C2=CC=1c1[nH+]c2ccccc2c2c1oc1cc3ccccc3cc12.CC(=O)/C=C(/C)O.[Ir]"]
["172179894","CC(=O)/C=C(/C)O.CC1=C=C(c2cc([Si](C)(C)C)c3c(ccc4ccccc43)n2)C2=S=C3[N-]C=CC=C3C2=C1.[Ir]"]
["57970650","C1=CC2=CC=C[N-]C2=CC=1C1=C=CC=C2[N-]C=CC=C12.[Y]"]
["180101701","CC1=CC=C[N-]C1=CC(C)C.[Re]"]
["172180100","CC(=O)/C=C(/C)O.CC1=C=C(c2ccc3c(ccc4ccccc43)n2)C2=S=C3[N-]C=CC=C3C2=C1.[Ir]"]
["178383391","COC1=CC=CI=C[N-]1"]
["172180093","CC(C)CC1=C=C(c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)C2=S=C3[N-]C=CC=C3C2=C1.CCC(CC)C(=O)/C=C(\\O)C(CC)CC.[Ir]"]
["25075481","OB(OBr)OC1=C=C[C]2C(=C1)c1cc(OB(O)OBr)c(OB(O)OBr)cc1-c1cc#ccc12"]
["26443877","Cc1ccc(OB(O)O)c(CCc2cc(C)ccc2OB(O)O)c1"]
["69750214","COc1cc(OC)c(C2=COC3CC(OC)C(O)CC3C2=O)cc1OC"]
["178795724","COc1cc#ccc1-c1cc(Nc2ccc(F)c([N+](=O)[O-])c2)ncn1"]
["180357612","Oc1cc#ccc1-c1nc2ccccc2s1"]
["73695118","COC1=C=C[C](C)C(c2cc(Br)ccc2Br)=C1"]
["181508540","Nc1cc(F)c(F)cc1OB(O)O"]
["169745874","COc1c(F)cc(OB(O)O)cc1F"]
["79640898","CC1=CC(O[Si-](C)(C)C(C)(C)C)=C=C1.[Li+]"]
["185406555","OB(O)Oc1ccc([S-])c(S)c1[S-]"]
["178608218","CS(=O)(=O)c1cc#ccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1"]
["26308626","CC1=C=CC(C)=C[C]1c1cc(C)ccc1C"]
["192330523","CC(C)(C)SC1=NS(OCCCl)=NC(Cl)=N1.CC(C)=S(C)C1=NS(OCCCl)=NC(SC(C)(C)C)=N1"]
["33737145","CC(=O)C1=C(CCC(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CS(=O)(=O)C1"]
["MCULE-5069436071","CC(C)(C)OC(O)=NC[C@@H](O)c1ccc(NCCCCCCl)cc1"]
["140473924","CC(C)(C)SCC(O)=Nc1ccc(Cl)c(OC(F)F)c1"]
["93933625","CC(C)(C)OCCOc1cccc(Cl)c1C(=N)S"]
["170833268","CC(C)(C)OC(O)=NCC(O)C(O)c1cc(Cl)nc(C(F)(F)F)c1"]
["77263143","CC(=O)N(c1cccc(C)c1)c1nc(CSc2n[nH]c(C=Cc3cccs3)n2)cs1"]
["73815158","COC(=O)c1nc(SC(C)(C)C)sc1C"]
["167458299","CC(C)(C)OC(O)=NNCCc1cnc(Cl)nc1"]
["60076825","CCOc1nc(Cl)nc(NC(CC)(CC)CO)n1"]
["185925347","CCN(C)/C=N/c1cc(C)c(Oc2cc(SC(C)(C)C)nc(C)n2)cc1C"]
["81070988","CCOC(=O)C(SC1=NC(=O)C2=CC(Cl)C=CC2=N1)=C(C)O"]
["97477876","N=c1[nH]cc([C@@H](c2[nH]c(=N)[nH]c2/C=C\\CNC(=O)c2[nH]c(Br)cc2Br)[C@H](O)CNC(=O)c2[nH]c(Br)cc2Br)[nH]1"]
["94826796","N=c1cc(Br)[nH]c(=NCC(O)C2CC2)[nH]1"]
["88564981","CCCn1cc(Cl)cc1C(=O)NC[C@H](C)O"]
["120363006","CCOC(=O)c1cc(=N)[nH]cc1NC1CCSCC1"]
["113824629","Nc1ccc(S(=O)(=O)COCC2CC2)c(Br)c1"]
["77490828","COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)OCc2nc(=N)[nH]c(=N)[nH]2)cc1OC"]
["165178723","CS(=O)(=O)CCCN1CCC(Oc2ccc(-c3c(Cl)cc(N=c4[nH][nH]c(=N)[nH]4)cc3C(F)(P)I)cc2)CC1"]
["132665189","CC(=O)c1c(C)[nH]c(C(=O)NCC(C)(C)Cc2ccccc2)c1C"]
["163984135","CC(C)Cc1cc(C(=O)Nc2ccc3nc(C(C)O)[nH]c3c2)no1"]
["106648617","CC(C)c1ccc([C@@H](O)CNC(=O)c2c(Br)cnn2C)cc1"]
["130711639","Cc1cc(C)c(C(=O)NCC2CCOCC2)[nH]1"]
["91829372","CC(C)CN=c1[nH]c(Br)cc(=N)[nH]1"]
["66138733","[B]=[Si](C)OCC(C)COC(C)OC=C1C(Cl)=CC=C[C-]1Cl.[U+2]"]
["94416114","CCn1nccc1CNCCCOC(C)C"]
["12074098","COc1ccccc1CN(C(S)=Nc1ccccc1OC)[C@H](C)c1ccccc1"]
["96806453","CC(CCCl)Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(C)CCCl)c(Br)c2)cc1Br"]
["MCULE-8496627686","CCC(C)CC(O)=Nc1ccc2c(Cl)n[nH]c2c1"]
["166816456","C=C(C)c1c(C2(C)C=C(C)C(C)C(C(C)CCC)=C2C)c(C2=CC=C(Cl)CC2)n(C)c1C"]
["94019561","COCCn1ncc(Cl)c1CC(C)CN"]
["46084223","CCOC(C)Oc1ccc(S(=O)(=O)N(CC(O)=NO)CC(C)C)cc1"]
["94012543","CCOCC(C)Nc1cnn(CCN(C)C)c(=O)c1Cl"]
["30504484","COC(=O)C=CC(C)OC1(I)C=CC=C(Cl)N1"]
["179510835","CC(O)/C=C(\\ON)C(O)=NN(Cc1ccc(-c2cccc(Cl)c2)cc1F)CC(O)C(=O)OCC(C)C"]
["111645246","CCCC(C)COc1nccnc1Cl"]
["180127543","FC1=C(F)CC(O[I+]C2CCC(C3C=[C-]C(I4CC4)=[C-]C3)CC2)=C1"]
["160720300","CC1(C)C(O)=Nc2cc(C(O)=N[C@@H]3C[C@H]3c3ccc(Cl)c(F)c3)ccc21"]
["174559758","O.O.[B+]=C1[C-]=CC(C2CC2)C=C1"]
["123789965","OC(=Nc1c(Cl)cc(F)cc1Br)C1CC1C1CC1"]
["18355379","COc1ccc(CCN=C(O)[C@H]2C[C@@H]2c2cccc(F)c2)c(OC)c1"]
["126668317","O=C(CCOCC1CCCO1)OCCOc1ccccc1F"]
["178927811","O=C(OCCCCCCOC(=O)ON1C(=O)C2C3CCC(C3)C2C1=O)ON1C(=O)C2C3C=CC(C3)C2C1=O"]
["194650447","CCCC1=CCC(C2=CC(F)=C(C3=CC(F)=C(C(F)(F)OC4C=C(F)C(C(F)(F)F)C(F)C4)C(F)C3)C(F)C2)C(F)C1"]
["176433052","C.O=C([O-])CCOC(=O)COc1cccc2c1CC1CCC(CCC[O-])C1C2.[V+2]"]
["60820843","CC1=CC(=O)C2=C(C1=O)C(c1ccccc1OCCO)C1=CCC3C(O)=NC(=O)C3C1C2"]
["101619985","CCCC1CCC(C2CCC(CCCc3ccc(OC)c(F)c3F)CC2)CC1"]
["186526090","Cl.NC1[C@@H]2CC[C@H]1CN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2"]
["183968269","CC(C)(CCS(=O)CCCS(=O)CCC(C)(C)Cn1c[nH+]nn1)Cn1cnnn1"]
["170456076","Cc1nnc(SCC(C=O)=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cn3cnnn3)[C@H]2S)s1"]
["17583308","CC(C)(C)n1cnnc1SCc1nnsc1Cl"]
["MCULE-1614648962","Cn1cc(-c2cc(C#N)ccc2N=C(O)Cn2cnnn2)cn1"]
["MCULE-6526600441","COc1c(F)cccc1-c1cncnc1N=C(O)Cn1cnnn1"]
["199495440","O=C1CCC[C@H]2[C@H]3CNC[C@H](C3)[C@H](C(O)=NCCn3cnnn3)N12"]
["48450843","CC(C)=CCCCS(=O)CCN"]
["170137538","O=C(Cn1cnnn1)N1CCCN(Cc2ccc3[nH]ccc3c2)CC1"]
["130568485","CC(C)(C)OC(=O)CCNC(O)=NCCCn1ccnn1"]
["104152448","CN1CC[C@]2(CCC1=O)C[C@H](N=C(O)Cn1cnnn1)c1ccccc1O2"]
["MCULE-6746003167","COC(=O)c1cncc(N=C(O)Cn2cnnn2)c1"]
["177427079","OC(Cn1cnnn1)=Nc1nnc(C2CC2)s1"]
["198397804","FC(F)(F)C1C=CC=CC1CCC1Cc2ccc3cc4c(ccc5c(C6Cc7ccc(CCC8Cc9ccc%10cc%11c%12c(ccc%11cc%10c9S8)CC(C8Cc9cc(CCc%10cc%11ccc%13cc%14c%15c(ccc%14cc%13c%11s%10)CCS%15)ccc9O8)S%12)cc7O6)csc54)cc3c2S1"]
["149758685","Cc1cc(C)n(Cc2nc3c4cc(N=c5[nH]c6c7c(ccc6c6nc(Cn8nc(C(F)(F)F)cc8C(F)(F)F)nn56)OC(F)(F)O7)c5c(c4[nH]c(=N)n3n2)OC(F)(F)O5)n1"]
["199754443","c1cc2c(cc1CCc1cc3ccc4c(c3s1)-c1ccc3cc(CCc5ccc6c(c5)OCC6)sc3c1-4)OCC2"]
["101381079","CC(C)[C@@H]1N=C(O)[C@@H](N=C(O)OCc2ccccc2)Cc2ccc3c(c2)[C@@]2(c4cccc(Br)c4NC2O3)c2oc1nc2C(O)=N[C@@H](C)CO"]
["74343387","CC1(c2ccccc2)C(=O)N=C2NC(n3nc(CCC(F)(F)F)c4cc(Cl)sc43)=NC(N)=C21"]
["184232833","Cc1ccc2c(c1)C[C@H](CCc1ccc3cc(Cc4cc5c(cc4C)CC(C)O5)oc3c1)O2"]
["186249179","CCCCCc1ccc(C2Cc3ccc(OC)cc3O2)c(CC)c1"]
["196666048","CN=c1nc2sc(CC(F)(F)F)cc2c(N2CC3(CCC(N)C3)C2)[nH]1.CN=c1nc2sc(CC(F)(F)F)cc2c(N2CC3(CCC(NCc4ccc5c(c4)N=C(O)C5)C3)C2)[nH]1.O=Cc1ccc2c(c1)N=C(O)C2"]
["177693142","N=C(O)N1CC2(C1)OCc1cc(CCC3=NSC(c4cccc(Cl)n4)(C(F)(F)F)C3)ccc12"]
["53796136","BrC1CCCCC(CCc2ccc3c(c2)CCO3)C1"]
["171209088","COCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(C(F)(F)F)c(F)c4)ccc3c2)c(F)c1"]
["181244536","CCCCCCCCCC1CCc2cc(-c3ccc(OCC4OC4CCCC)c(F)n3)nc(F)c2C1"]
["194334859","Cc1nc(-c2nn(C(C)(C)c3c(C)c(C)c(C)c(C)c3F)c(-c3noc(C)c3C)c2C)nc(N(C)C(C)(C)C(O)(N(C)C)C(F)(F)F)c1F"]
["180563576","Cc1nc2cc(-c3cccc(-c4ccc5c(c4)C=IN5C)c3)nn2c(-c2cc(F)c3c(c2C)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O"]
["168365346","COc1cccc2c1NCc1c(C)nc(O)nc1-2"]
["MCULE-6163223301","Cc1noc(C)c1-c1cc(CCC(=O)N2CCN(CC(=O)N(C)C)CC2)ccc1F"]
["184427731","Cc1onc2c3ccc(F)c(c3F)c(=O)n(CC(=O)OC(C)(C)C)c3cccc(c3)c12"]
["176430256","CCC(C)(CN)CNC(=O)c1noc(C)c1C"]
["MCULE-3769346023","Cc1noc(C)c1N=C(O)c1ccc(N2CCOCC2)c(-c2ccnc(F)c2F)c1"]
["26524071","Cc1onc(-c2nnc3c4ccccc4c(Cl)nn23)c1C"]
["143800073","CCN(Cc1c(C)nn(C)c1OCC(F)(F)F)CC(C)(C)O"]
["MCULE-9213575955","Cc1noc(C)c1C(=O)N(C)CCC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1"]
["176558882","OC1=NCCCN1c1ccc(-c2noc(C(F)(F)F)n2)cc1"]
["173754385","Cc1nn(C2=CC(N)=Nc3c(c(-c4ccc(F)cc4F)nn3CC3CC3)CC=N2)c(C)c1C"]
["179508831","C=CC(O)=NC1C[N+]2(CCCCCCCCC[N+]34CCC(CC3)C(N=C(O)C=C)C4)C=CC1CC2"]
["MCULE-2201226658","C=CCN(CC=C)c1cc(N2CCC(N=C(O)OC(C)(C)C)CC2)nc(CC)n1"]
["177528305","COC(O)=N[C@H]1CCC[C@@H]1C(C#N)(c1ccc(O)cc1)c1cccc(F)c1"]
["102874277","OC[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NC(O)=Nc1ccccc1"]
["176140139","C=C/C(=C\\C(=C/C)C(=N)O)C(N)(CCC1CC1)c1ccc(F)c(C)c1"]
["63245540","C=CC[C@@]1(C(O)=NC2CC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1cccc(OC)c1"]
["75616902","C=C/C(CCCC)=C(\\C=C/C)C1CCC=CC1I"]
["53398099","O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(CCc1ccccc1)c1ccccc1.[Br-]"]
["74985436","C=CC(O)=NC1CC(C)(C)N(S(=O)(=O)c2ccc(CN(Cc3ccccc3)C(=O)O)cc2)C1(C)C"]
["99863224","C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[C@H]2CC[N+]1(Cc1ccc3ccc(C[N+]45CC[C@@H](C[C@H]4[C@H](OCC=C)c4ccnc6ccccc46)[C@@H](CC)C5)cc3c1)C[C@H]2CC"]
["146051265","Cc1cccc(OCCCCC(O)=NC2CCCNC2)c1"]
["59564585","O=C(O[C@H]1C[N+]2(CCCSc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)C1CCCC1"]
["171920050","CN1C2=[NH+]C(=[N+](C)C3[NH+]=C(C4C(Br)=C(Cl)C(Br)=C(Br)C43)N(C)C3[NH2+]C(c4c(Br)c(Cl)c(Br)c(Br)c43)N(C)C3=NC1c1c(Br)c(Cl)c(Br)c(Br)c13)c1c(Br)c(Cl)c(Br)c(Br)c12"]
["151894342","C[C@H](SC1=NC(=O)[C@H](C#N)C(c2ccc(Cl)cc2)=N1)C(=O)Nc1ccc(Br)cc1"]
["108469495","C[C@@H](N=C(O)[C@H]1CC(=O)N(C)C1)c1noc(-c2ccc(Cl)cc2)n1"]
["175771812","CC(C)(C)[C@@H]1CN(C(=O)O)CC2C(=C=O)N3CCS(=O)(=O)c4nc5c(F)c(Br)c(Cl)cc5c(c43)N21"]
["151894341","C[C@@H](SC1=NC(=O)[C@@H](C#N)C(c2ccc(Cl)cc2)=N1)C(=O)Nc1ccc(Br)cc1"]
["178600677","ClC1=C(Br)C2C(=C3N=C4N=C(N=C5N=C(N=C6N=C([N-]C2[N-]3)c2c(Br)c(Br)c(Cl)c(Br)c26)c2c(Br)c(Br)c(Cl)c(Br)c25)c2c(Br)c(Br)c(Cl)c(Br)c24)C(Br)=C1Br.[Zn+2]"]
["165391780","COc1cc(N2C(S)=NC(c3ccccn3)C2c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1NS(C)(=O)=O"]
["30215271","Cn1c(C(O)=NCCCNC(=O)O)c(Br)c2c3c(c(-c4ccccc4Cl)cc21)C(O)=NC3=O"]
["108469493","C[C@@H](N=C(O)[C@@H]1CC(=O)N(C)C1)c1noc(-c2ccc(Cl)cc2)n1"]
["53248861","COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc(Br)c1OC"]
["51718749","Cc1c(N=C(O)C2=C(Cl)C3=N[C@@H](c4ccc(Br)cc4)C[C@@H](C(F)(F)F)N3N2)c(=O)n(-c2ccccc2)n1C"]
["69725490","C=CCN1C(=O)C2C(N=C3N(c4ccc(Br)cc4)C(C)=CN32)N(C)C1=O"]
["172012641","COC1=C2SC3C(=[O+]C)C(=[O+]C)C(SC)=C(CCN(C)C)C3=[S+]c3c(OC)c(OC)c(SC)c(CCN(C)C)c3SSC2C(CCN(C)C)=C(SC)C1=[O+]C"]
["162484917","COc1c(C)nc(CN(C)C)nc1S"]
["311417","COc1c(SC)c(CCN(C)C)c2sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3ssc2c1OC"]
["108607959","COc1noc(C(=O)O)c1CCN(C)C"]
["67596195","CSc1cccc2sc(N(CCN(C)C)C(=O)CCCSc3ccc(F)cc3)nc12"]
["721711","COc1cccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1OC"]
["198858490","COc1c(F)cc(-c2nc(CCN(C)C)nn2C2CCSCC2)cc1Br"]
["50314343","COc1cccc(C2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1OC"]
["76279929","COc1ccc(C2CCCC2(OCCN(C)C)c2ccc(OC)c(OC)c2OC)c(OC)c1OC"]
["108676363","COc1c(F)cc(N=C(O)N(C)C[C@@H]2CCCC[C@H]2O)cc1F"]
["185340607","COC1=C(OC)C(=[O+]C)C2Sc3c(OC)c4c(c(OC)c3N(C)C2=C1)SC1=C(CC(OC)=C(OC)C1=[O+]C)N4C"]
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["2495054","O=C1CCCC2=c3cc(C4CCCCC4)ccc3=[NH+][C@H]2C1"]
["146791659","CCN(CC1CCCO1)C(=O)c1ccc2c(c1)CNC2.Cl"]
["129309","O=C(O)COc1cccc2c1CCC(Cc1nc(C(c3ccccc3)c3ccccc3)co1)C2"]
["191823259","CCCSc1cc2c(cc1Nc1ncnc3sc4c(c13)CC[C@H](C(=O)N(C)C)C4)C=NC2"]
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["155709673","O=C1C[C@H](c2ccc(-c3cccc(CO)n3)cc2)Oc2c1ccc1c2CCCC1"]
["184680902","O=C1N=C(O)CCCC1O.OC1=NCc2c1cc(F)cc2C1CCCC1"]
["180747295","O=S(=O)(NCc1nc2c3c(cccc3n1)C(O)=NN2)c1ccc(C2CCC2)cc1"]
["179758498","SCCC1CC2CC(SC3CC4C(C5C6CC(CCSCCC7CC8CC(S)C7C8)C5CC6S)C(CCS)C3C4C3C4CC(S)C(C4)C3CCSCCC3CC4CC(S)C3C4)C1C2"]
["64906299","CC(CSC1CC2C(C1)C1CC2C2C3CC(S)C(C3)C12)C(=O)OCCOC(=O)C(C)CSC1CC2CC1C1C3CC(C4CC(S)CC43)C21"]
["153786271","OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21"]
["186365304","SCCSCCSC1CC2CC1C1C(SCCSCCS)CCC21"]
["54800474","SC1CC2C(C1)C1CC2C2C3CC(SCCCOCCCCSC4CC5C(C4)C4CC5C5C6CC(S)C(C6)C45)C(C3)C12"]
["66453779","CSCCSCCSC(=O)C1CC2CC1C1C3CC(CC3C(C)=O)C21"]
["150794309","S[C@H]1C[C@H]2C[C@H]3C[C@@H](C2)[C@H]1C3"]
["51022324","OC[C@@H](COCCCCCCCCC1CC2C1C1C3C4CCC4C3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21"]
["177215181","CC1CC(S)C(C2CC3CC2C2CC(=O)OC32)C1"]
["162282694","OC1CC2CC(S)C1C2"]
["162021005","CC1CC(SC2CC3CC2C2CC(SC4CC5CC(S)CC(C)C4C5)CC32)C(C2CC(S)CC2C)C1"]
["184604253","CCC1(COCC2CC3CC(SCCC(F)(C(F)(F)F)C(F)(F)F)C2C3)COC1"]
["70485696","CC(C)(C)OCC1(C)C=C2C=C3CC(C)(C)C(=N3)C=C3CC(C)(COC(C)(C)C)C(=CC4=NC(=CC1=N2)C(C)(C)C4)N3"]
["185211889","CCOC(=O)n1ncc2c1C(C)(C)N(C(=O)OC(C)(C)C)C2"]
["181060613","CC(C)(C)OCCOC1(F)C=C(Br)C=C(F)C1"]
["175265782","CC(C)(C)OC(=O)N1CCC[C@H](C(O)=NC2CCC(CCCc3nc(N4CCOCC4)cc(-n4c(C(F)F)nc5ccccc54)n3)CC2)C1"]
["128066931","Cc1cc(C)cc(CCNC(=O)c2cc(COC(C)(C)C)on2)c1"]
["98601002","CC(C)(C)OC(O)=NC1Cc2ncc(CBr)cc2N=C1O"]
["51169904","CCC1=CC[C@H]2C3=CC=C4CC(OCCC(C)(O)CO[Si](C)(C)C(C)(C)C)CC(OCCC(C)(O)CO[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C"]
["28284234","CC1(C)Cc2cccc(N=C3Nc4ccc(C(C)(C)NC(=N)O)cc4CO3)c2O1"]
["139551942","CC(C)(C)OCc1cc(CNC2C3CCOC3C23CCC3)no1"]
["118977254","Cc1cccc(OCC(O)CNC2=NCC3CN(C(=O)OC(C)(C)C)CCN23)c1.I"]
["99646160","CC(C)(C)OC(O)=N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(=O)O)N=C(O)[C@@H]2C[C@@H](N3N=N/C(=C4\\C=CC(=O)C(Cl)=C4)N3)CN2C1=O"]
["63457606","CCC(O)(CC)CCCSC(C)C1=CC[C@H]2C3=CC=C4CC(O)CC(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C"]
["161888551","C#CP1N=PN=[P+]=N1"]
["183194476","C1OC1COP1N=PN=[P+]=N1"]
["185559712","CCN(CC)P1N=PN=[P+]=N1"]
["161874116","C1=CC(=P2=NP=NP=N2)C=C1"]
["183754821","Nc1ccc(SP2N=PN=[P+]=N2)cc1"]
["189874674","[2H]S(=N)C#C"]
["161798360","FC(F)(F)c1cccc(OP2N=PN=[P+]=N2)c1"]
["181688606","COC(=O)c1ccc(OP2N=PN=[P+]=N2)cc1"]
["185170238","C=COCCOP1N=PN=PN=[P+]=N1"]
["171234624","C=C(C)C(=O)OC1C=CC(OC(=O)C(=C)C)(OP2N=PN=[P+]=N2)C(OC(=O)C(=C)C)(OC(=O)C(=C)C)C1(OC(=O)C(=C)C)OC(=O)C(=C)C"]
["185259371","FP1N=PN=[P+]=N1"]
["185188693","Cc1ccc(OP2N=PN=PN=[P+]=N2)cc1"]
["195862671","C[NH+](C[NH2+]SN(S)S)S[NH3+]"]
["122428200","CCN(CC)C(=S)SCC(=O)N1CC(C)CC(C)C1"]
["181469102","CCC[NH+](C)S"]
["46556658","C[C@H](C[NH3+])[NH+](C)C"]
["25246834","CN(C)C(CSC(=N)S)CSC(=N)S"]
["164426960","CC(C)(C)SN(S)S"]
["160679225","CCCN(S)S.Cl"]
["176714844","CCS[NH+](C)CC"]
["195485680","CCSC(S)=NC(C)(C)SCC"]
["66500960","CCSC(CC)=C(CC)[S+](CC)CC"]
["161378666","CC(C)(C)N(S)SCCS"]
["157665114","CCN(S)CC.S"]
["175291336","C=C(C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)OC(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C"]
["26231180","C=C(C)[Si](CC(C)C)(OC)OC"]
["64806338","C=C(C)[Si](C)C"]
["97816133","C=C(C)/C(C=C(c1ccc(C)cc1)c1ccc(C)cc1)=C\\C"]
["166680204","C=C/C(C(=C)C)=C(C)/N=C\\C"]
["171630404","C=C(C)C(=O)OC(=C)C(=O)OC(C)Cn1c(=O)n(CC(C)OC(=O)C(=C)OC(=O)C(=C)C)c(=O)n(CC(C)OC(=O)C(=C)OC(=O)C(=C)C)c1=O"]
["79242784","CO[C](OC)OC(C)=O"]
["149823224","C=C(C)C(=O)OC(F)(F)CC(F)(F)F.C=C(C)C(=O)OC(F)(F)F"]
["174846650","C=C(C)C(=O)OC(C)N(C)C.C=C(CC(=O)O)C(=O)O"]
["187088753","C=C(C)C(=O)O[Si](C(=O)CC(C)C)(C(=O)CC(C)C)C(=O)CC(C)C"]
["104490183","C=C([C@H](C)C(C)=O)[C@H](C)C(C)(C)C"]
["59721751","C=C(C)C(=O)OCC(=O)OCCC"]
["168570339","C[Si-](C)O[Si]12O[Si]3=[O+][Si](=[O+][Si](=[O+][Si-](C)C)O1)[O+]=[Si]1O[Si](O3)O[Si](O[Si-](C)C)(O2)O[Si](O[Si-](C)C)([O+]=[Si-])O1"]
["161786294","COP1([O-])=[Si]([O+]=[Si][O+]=[Si-])O[Si]1(O)O"]
["42346276","C[Si](C)=[O+][Si]1(O[Si-](C)C)O[Si](C)(C)O[Si](C)(C)O1"]
["171962500","CC(C)O[Si]1O[Si]2(OC(C)C)O[Si]3(OC(C)C)O[Si](O)(OC(C)C)O[Si]4(OC(C)C)O[Si](OC(C)C)(O1)O[Si](OC(C)C)(O2)O[Si](OC(C)C)(O3)O4"]
["48124341","C[Si-](O)[O+]=[Si]1O[Si](=[O+][Si-](C)O)O[Si](C)(C)O[Si](C)(C)O1"]
["172049171","C[Si](C)O[Si]12O[SiH]3O[SiH](O[SiH]4O[Si](=[O+][Si-](C)C)O[Si]([O+]=[Si](C)C)(O[SiH](O4)O3)O1)O[Si](O[Si-](C)C)([O+]=[Si-])O2"]
["42638567","C=C(O[Si](C)(C)C)c1cccc([O+]=[Si-])c1"]
["83005749","C[Si-](C)O[Si]12O[Si]3=[O+][Si]4=[O+][Si]5=[O+][Si](=[O+]3)O[Si](O[Si-](C)C)(O1)O[Si](O[Si-](C)C)(O5)O[Si](O[Si-](C)C)(O4)O2"]
["53685891","C[Si](C)=[O+][Si]1=[O+][Si]2(O[Si-](C)C)O[Si]3(O[Si-](C)C)O[Si]([O+]=[Si](C)C)(O1)O[Si]1([O+]=[Si](C)C)O[Si]([O+]=[Si-])([O+]=[Si](C)C)O[Si](O[Si-](C)C)(O2)O[Si-](=[Si](C)[O-])(O3)O1"]
["168574270","C=C[Si](C)(C)O[Si]12O[Si]3O[Si]4(O[Si](C)(C)C=C)O[Si](O[Si](C)(C)C=C)(O1)O[Si]1(O[Si](C)(C)C=C)O[Si](O[Si](C)(C)C=C)(O2)O[Si](O[Si](C)(C)C=C)(O3)O[Si](O[Si](C)(C)C=C)(O4)O1"]
["67004905","C[Si](C)O[Si]12O[Si]3(O[Si-](C)C)O[Si]4(O[Si-](C)C)O[Si](=[O+][Si-](C)C)O[Si]([O+]=[Si](C)C)(O[Si]([O+]=[Si](C)C)(O4)O1)O[Si]1([O+]=[Si](C)C)O[Si](O)(O[Si-](C)C)O[Si](O[Si-](C)C)(O3)O[Si]([O+]=[Si](C)C)(O2)O1"]
["62708371","C[Si]1=[Si](OC[O+]=[Si-])[Si-](=[Si+])([O+]=[Si-])O[Si](C)(C)C1"]
["174947255","IOc1nc(I)nc(SI)n1"]
["183916440","CC1(C)COc2nc3c(Cl)nc(I)nc3n21"]
["166723212","NCc1cc(OC(F)(F)F)nc(C=O)c1I"]
["53300092","COCCc1nc(Cl)c(I)c(COC)n1"]
["175577002","CC#CSc1nc(SC#CC)nc(SC#CC)n1"]
["145583189","Fc1cc(I)c(OC(F)(F)F)c(Br)n1"]
["188584470","CSc1nncc(-c2cnnc(OC(C)CN(C)C)n2)n1"]
["177884468","Cn1nc(I)nc1C(C)(C)C"]
["46110764","CCOCc1nc(Cl)c(I)c(-c2ccccc2)n1"]
["62139093","CSc1ccnc(I)n1"]
["166723156","OCc1nc(OC(F)(F)F)c(C(F)F)cc1I"]
["163195779","NC(=O)c1c(I)cc(F)nc1OC(F)(F)F"]
["163954384","[2H]C(C([2H])C([2H])C([2H])([2H])N([2H])[2H])C([2H])C([2H])([2H])N([2H])[2H]"]
["170611147","[2H]OC(=O)[C@@]([2H])(N([2H])[2H])C([2H])([2H])O[2H].[2H]O[2H]"]
["176095696","[2H]C(CCI)CCCI"]
["97034972","[2H]N([2H])CC(=O)OC"]
["145703271","[2H]C(N)C(C)(C)C"]
["172594695","Cl.[2H]C([2H])(N)C(F)(F)C([2H])([2H])N"]
["99152282","[2H]N([2H])CCc1cnc[nH]1"]
["74102019","[2H]N([2H])C([2H])([2H])c1ccccn1"]
["193943712","[2H][C@H](C)O"]
["194010159","[2H]C(CI)CI"]
["177431786","Cl.[2H]N([2H])C([2H])([2H])C1(C([2H])([2H])C(=O)O)CCCCC1"]
["55192463","[2H]C(C)F"]
["168292471","[NH]N(F)N=[N+]=NN=C=N"]
["79703289","N=C=NCF"]
["181360630","CC(O)=NN(F)N=[N+]=[N-]"]
["181692074","[N-]=[N+]=NN(F)OCl"]
["181472827","[N-]=[N+]=NC(=O)N(O)F"]
["174010623","N=C=NCl.O"]
["183471713","[N-]=[N+]=NN(N=C=S)C(=N)N"]
["183306366","[N-]=[N+]=NN=C=S=N"]
["79811911","N=C=NN=N"]
["79589904","CCC(N=C=N)N(S(C)(=O)=O)S(C)(=O)=O"]
["161676074","N=C=[N+]=[Si-]"]
["68906705","N=C=NS(=O)(=O)F"]
["180775744","C.[C-]#CC=[As-](O)(O)=C[C]=[CH-].[Pt]"]
["97508409","[C-]#C[CH]C.[Na+]"]
["174706202","[C-]#C/C=C\\C=C(C)N(C)[C-]=O.[Y]"]
["176051884","[Bi].[C-]#C[CH]C=C"]
["147823276","[C-]#CC=CC=C=C=[CH+]"]
["32758418","[C-]#C[CH]Cl.[Li+]"]
["171999857","[C-]#CC=[CH-].[Y]"]
["99355835","[C-]#CC=C(F)F.[C-]#CC=C(F)F.[Ca+2]"]
["100752562","[C-]#C[C+]=C(C)C"]
["65189363","[Br-].[C-]#CC=C.[Mg+2]"]
["91391142","N#CC1=C(C#N)C(C#N)=C(C#N)C1=CO"]
["79194851","[C-]#CC#C.[Li+]"]
["110878965","FC(F)(F)p1[te]p(C(F)(F)F)p(C(F)(F)F)[te]1"]
["34606791","C[Si]C(F)(F)F"]
["175934644","N#[N+]C(F)(F)F.S"]
["25204659","FC(F)(F)C=[C]I"]
["174616603","O[CH-]C(F)(F)F.[Ta]"]
["79217086","CC(C)(F)S(=O)C(C)(C)F"]
["25665883","O=S(C(F)(F)F)C(F)(F)F"]
["166636075","CC(F)(F)S(N)=O"]
["153029549","CS(=O)C(C)(F)F"]
["99850613","O=S([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)[O-]"]
["44792105","FC(F)(F)[SiH3]"]
["78214558","[O][PH-](C(F)(F)F)(C(F)(F)F)(C(F)(F)F)C(F)(F)[F+]"]
["66837089","[CH-]=[C-]C#CC(Br)[Br+]Br"]
["172695246","CCC(Br)C#CC=O"]
["171396430","C=CC#C[C@H](C)Br"]
["182108960","CC(Br)C#CS#[N+]N=[N-]"]
["173997098","[CH-]=CC([CH2+])Br.[Cl-].[In+]"]
["195976990","[CH-]=[C-]C(C)C(C)[C@@H](C)[Br+]C"]
["107470894","CCC#C[C@H](C)Br"]
["167236341","CC(=O)OC(C)(C)C#CC#CC(C)Br"]
["25457542","CC(Br)=CC(Br)Br"]
["98585020","FC(F)(F)C(C#CC(C(F)(F)F)C(F)(F)F)C(F)(F)F"]
["167327858","C/C=C/C(Br)B(OC(C)(C)C)OC(C)(C)C"]
["12487833","N#CC(=O)C(Br)Br"]
["97437008","CC(C)(C)[Si](C)(C)[Si]12[Si]3=[Si-]4([Si](C)(C)C(C)(C)C)[Si]3([Si](C)(C)C(C)(C)C)[Si]3([Si](C)(C)C(C)(C)C)[Si]1([Si](C)(C)C(C)(C)C)[Si]2([Si](C)(C)C(C)(C)C)[Si]34[Si](C)(C)C(C)(C)C"]
["159417802","CC(C)(C)[Si](C)(C)OCc1ccc(Cl)c(CBr)c1"]
["167370808","CC(C)(C)[Si](C)(C)OCc1ccc(C(=O)O)c(Cl)c1"]
["98153261","CC(=O)OCc1cccc(CC(=O)O[Si](C)(C)C(C)(C)C)c1"]
["97476128","CC(C)(C)[Si](C)(C)[Si]1([Si](C)(C)C(C)(C)C)CC2CCCCC2[Si]1([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C"]
["110884588","CC(C)(C)[Si](C)(C)C1(Cl)[Si](Cl)([Si](C)(C)C(C)(C)C)C(Cl)([Si](C)(C)C(C)(C)C)[Si]1(Cl)[Si](C)(C)C(C)(C)C"]
["75903100","CCSC1=NN=C(C(C)(C)C)C[N+]1(N)[O-]"]
["176366459","CCOP(=O)(OCC)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1Br"]
["59753211","CC(C)(C)[Si](C)(C)OCc1ccnc(Nc2ncc(Br)s2)c1"]
["59353105","COC(=O)c1cc2c(s1)C(=C1C=c3cc(CO[Si](C)(C)C(C)(C)C)ccc3=N1)NN2"]
["62328422","CN=c1cc(CO[Si](C)(C)C(C)(C)C)cc[nH]1"]
["97529333","C[C@@H]1[C@H](C)[Si]1([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C"]
["100944102","FP123OC=CC1(C=CO2)C=CO3"]
["52579975","CP1(C)(F)CC(C(F)(F)F)(C(F)(F)F)O1"]
["180764903","C[C@@]1(N)C=CC=CO1"]
["56880980","CC1C(C)C(F)(F)OC1(F)F"]
["34052879","C1=CC12CO2"]
["101257974","CP=[PH]1OC=CO1"]
["185084972","C=COC1(OC=C)C=COC=C1"]
["197747800","[O-][N+]1=PC=COO1"]
["183194065","[N-]=[N+]=NC1OC=CC1(Br)I"]
["181741345","FC1OC=CNO1"]
["52146320","CC(C)(C)C1([Si](C)(C)C)C=CC=C1"]
["177178415","FC(F)(F)C1(C(F)(F)F)C=CC(C(F)(F)F)(C(F)(F)F)O1"]
["68125672","C[Si](C)(C)C#CC1=C[N+]2(N)[N-]C(=C3C=CC=[O+]3)N=C2C=N1"]
["193126800","Cn1cc(C#C[Si](C)(C)C)cn1.Cn1cc(I)cn1"]
["74025186","CSC1=NC2=NC(=C3C=CC=[O+]3)[N-][N+]2(C=O)C=N1"]
["149082212","COc1ccc(COCc2cc(C(Br)CCC#C[Si](C)(C)C)ccc2Cl)cc1"]
["33873873","CC(O)CCCC#Cc1ccccc1C#C[Si](C)(C)C"]
["182375696","Cc1cc(CCC(O)(c2cc(Cl)cc(Cl)c2)C(F)(F)F)sc1C#C[Si](C)(C)C"]
["172617980","C[Si](C)(C#Cc1ccccc1)CC#Cc1ccccc1"]
["68527492","C[Si](C)(C)C#Cc1ccc(NC2CC2)cc1"]
["34040698","CC1CCC=C1C#CCC#C[Si](C)(C)C"]
["79191124","C[Si](C)(C)C#Cc1sccc1N=CO"]
["70378807","C#CC(C)C1(O)C=C(C#C[Si](C)(C)C)N(C(=O)Oc2ccccc2)c2ccccc21"]
["191435829","CC(C)(C)c1ccc(N)c(C#C[Si](C)(C)C)c1.CC(C)(C)c1ccc(N)c(I)c1"]
["153004886","COB=BB=BB=BB=BS"]
["171632698","COC[Si](CS)(OC)OC"]
["26360386","[CH2+]C([CH2-])OC"]
["99356442","[CH2-]C(OC)OC.[Zr]"]
["173792914","COC1OC([B]S)C(OC)C1OC"]
["65144627","CO[B]N"]
["91033651","CO[B][O-]"]
["95411568","COC(=O)N(C)CC(F)F"]
["162994568","COC(=O)N(C)C[C@@H](C)O"]
["173817836","C[B]O[B]S"]
["52947855","COB=NC(=O)CO"]
["178726584","C=NCCCC(NC)OC"]
["195985942","CO[N+]12ON3O[N+]4(C)ON5O[N+](C)(O3)O[N+](O)(O[N+](O)(O5)O[N+](O)(O4)O1)O2"]
["48779499","COCC(=O)N1CCN(C(=O)C2COCC2N)CC1"]
["66430056","C[S+](=O)=c1ccn(CCO)cc1.[Br-]"]
["172877667","CO[N+]1(O)C(C)(C)CCCC1(C)C"]
["79025503","C[CH]SC(=O)COC"]
["195840491","CO[N+]1(c2ccccc2)ON1C"]
["195592108","CO[N+]1(C)ON2ON3ON(C)O[N+]4(C)O[N+](C)(O3)O[N+](C)(O2)O[N+](C)(O1)O4"]
["170459492","C=C(C)C[N+]1(/C=C2/CO[C@@](C)(OC)[C@](C)(OC)O2)CCCCC1"]
["185893497","COc1nnnc(C2CN(C)CCO2)c1OC"]
["188753460","C=C/C(=N\\C(N)=C/C)N1CC(OC)C1"]
["52022677","COC(=O)N1CCN(C(=O)C2COCC2N)CC1"]
["88179944","COC[C@H](N)c1nnc(C#CC(=O)O)o1"]
["185173923","[2H]N1CCNS(=S)C1"]
["185289197","[2H]N1C=CC([2H])([2H])N([2H])C1([2H])[2H]"]
["183746747","S=S1CPS1=S"]
["175713619","[2H]N1CCC(C)(C)C1"]
["172501255","Cl.[2H]N1CCNCC1"]
["183736924","[N-]=[N+]=NC1CCNCC1C=O"]
["174484080","[2H]N1CCNC1"]
["175703442","[2H]N1C=CCCN1"]
["172291127","C1CS2(CN1)OO2"]
["78970177","[2H]N1CC([2H])([2H])N([2H])C([2H])([2H])C1([2H])[2H]"]
["175703479","[2H]N1CCC=N1"]
["162649736","CC(C#N)N1CCCCN1"]
["74686371","[O+]#CCCN1[CH]C=CC=C1"]
["26066122","CS([O])([O-])OCC#[O+]"]
["153328313","O=C(SC[C@@H](CN1C=CC=CC=C1)SS[C@@H](CSC(=O)N1CCCC1)CN1C=CC=CC=C1)N1CCCC1"]
["34330903","NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NCCc4ccc(S(N)(=O)=O)cc4)cc3)cc2)cc1"]
["130544173","Cc1cc(S(=O)(=O)Nc2ccn(CCC#N)n2)c(C)cc1Br"]
["25163438","COS([O])([O-])CCCCCCCC#[O+]"]
["161810526","OCN1C=CC=CN1"]
["26581360","O=[C-]CCCCCCCCCCCCC#[O+]"]
["49278405","CCCCCN1C=CC=CC=N1"]
["64794090","CC(C)C(C)N(C)S(=O)(=O)c1cnn(CCN)c1"]
["148682050","Br.C1=CC=NN(c2ccccn2)C=C1"]
["182163627","C1=CCN(CC=CCN2C=CC=CC2)C=C1"]
["76239886","[1CH3][1CH2][1CH2][1CH2][1c]1[1c]([1C]#[1N])[1c](=[1O])[1n]2[1c](=[1NH])[1c]([1C]#[1N])[1cH][1nH][1c]2[1c]1S[1CH3]"]
["76239936","[1CH3][1CH2][1c]1[1c](-[1c]2[1cH][1cH][1c]([1C]#[1N])[1cH][1cH]2)[1c]([1C]#[1N])[1n]2[1cH][1cH][1cH][1cH][1c]12"]
["195718353","CC1=C(C)C2I=I2=C2P=P[P-]P=C12"]
["26659616","CC1=COCC1C"]
["97866553","CC1=C(C)C(CCCCC2C(C)=C(C)C(C)=C2C)C(C)=C1C"]
["185786337","CC1=CC(C)C[NH2+]1"]
["184072970","COC(=O)N1C(C)=C(C)C(C)=C(C)C1C"]
["132515818","CCOC(=O)c1cc(=NC(=O)C2CCOC(CC)C2)[nH][nH]1"]
["170660090","[CH+]=C([O-])C1C(C)=C1C"]
["179995035","CC1=IC2C=C(C(F)(F)F)C=[C-]C2=I2=IC12"]
["182451943","CC1=C(C)C(O)C(N)(Cl)C(N)=C1N"]
["191198967","CC1=C(C)C(C(C)(C)C)[N+](C(C)(C)C)=C1C"]
["179493984","CC1=C[C]2[N-]C(C)=[Si]=C2C=C1"]
["97715326","CC1=CC(C)=C(C)[C@@H]1[Ge](C)(C)[C@H]1C(C)=CC(C)=C1C"]
["62742242","C1#CN[C+][CH+]1"]
["50091312","[C]1N[C+]C[C-]N1"]
["21712349","C1#CNCN1"]
["102963974","C1#CPNN1"]
["139243808","[C+]1=C[CH+]N[C-]=C1"]
["184530388","C1#CC2(CC2)N1"]
["78285601","C1#CNNN1"]
["97767775","C1#CNCNC#CNCN1"]
["168295350","C1#CNC[CH+]C1"]
["79342279","C1#CNC=CN1"]
["100858039","[CH]1CC[CH+]N1"]
["79038199","C1=C[CH+]N[N-]C=1"]
["182827957","F[Si]12C[SiH]3C[SiH](C[SiH](C3)C1)C2"]
["119324380","C[SiH]1C[SiH]2C[SiH](C)C[Si](C)(C1)C2"]
["172715263","CC[SiH]1CCC[Si](Cl)(Cl)C1"]
["84185461","F[Si]1(F)C=C1"]
["147853079","C[Si@]12C[SiH]3C[Si@](C)(C1)C[Si@@](C)(C3)C2"]
["172748567","C[SiH]1C[SiH](Br)C1"]
["56180280","F[Si]1(F)C=CCC1"]
["61874909","C[SiH]1C[SiH](C)C[Si](C)(C)[Si](C)(C)[SiH](C)C1"]
["175447884","ClC1[SiH](Cl)C[SiH]1Br"]
["172776240","CCC[Si]1(Cl)C[SiH](Cl)C1"]
["97469194","C[Si]12CCCC[Si](F)(CCCC1)CCCC2"]
["174567247","F[B]F.[CH-]1CCCCO1.[Li+]"]
["49766953","[O-][N+]12C=CC=C3N=NN4C=CC=C(N=N1)C4=C32"]
["182415815","[N-]=[N+]=NC1(n2cccn2)C=CC=C(CN)C1"]
["183291388","CN1C=CC=C2OC[C@H](n3nccc3Cl)C(=O)C21"]
["MCULE-9067125722","Fc1ccc(C(F)(F)F)nc1-c1cc(Cl)n2nc(C(F)F)cc2n1"]
["73644205","[O][NH+]1C=CC=C1c1ccn[c-][n+]1[O-]"]
["15784992","O=C([O-])[C@@H]1C=CC=C2N=CN=C21"]
["104063560","O=C1N=N[C@H]2NC=CN3C=CC=C1[C@H]23"]
["99480546","[As-]=C1N=C2[CH+]C=CC=C2c2nc[nH]c21"]
["153044157","CC(C)(C)N[N+]1([O-])C=CC=CN1[O-]"]
["30692620","CCC1(C(=N)O)NCC2=NC3=CC=CCC3=C2N1CC(=O)O"]
["183833606","O=C([O-])C1=CC=CN(Br)C1"]
["172366988","C1=CC=c2ccc3nccc4ncnc(c34)n2C=C1"]
["161508040","N#C/C(=C1/C(C(C#N)C2=C(F)C(F)C(C#N)C(F)=C2F)C1C(C#N)C1C(F)C(F)C(C#N)C(F)C1F)C1C(F)C(F)C(C#N)C(F)C1F"]
["131583760","N#CC(=Cc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=C(C#N)C#N"]
["163316485","Cc1c(F)cc(Cl)c(O)c1C(O)C#N"]
["110738178","COC(=O)/C(C#N)=C\\c1ccc(OC)c(OC(F)F)c1"]
["90692439","N#CC(C1=CC(=O)C(F)C=N1)C1CC1"]
["178365855","N#C[C@@H]1C[C@H](F)CN1C(=N)CNC1CC2CCC(C1)N2C=N"]
["169122474","Cc1ccc(/C=C(/C#N)C(=O)OCC(C)C)cc1F"]
["170328330","N#CC1N=C(O)C(C#N)C1C#N"]
["169118255","CC(C)COC(=O)/C(C#N)=C\\c1ccc(F)c(S(=O)(=O)N(C)C)c1"]
["179484965","N#CCC1C(F)=C(F)C(C#N)=C(F)C1F"]
["76305256","Cl.N#CC1CC(F)CN1C(=O)C(N)C(c1ccc(F)cc1)c1ccc(F)cc1"]
["188174730","N#CCC1=C(P)C(C#N)C(C#N)C(F)=C1F"]
["149560393","IC(=[I+])C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)[C-](I)I"]
["183366640","O=C([O-])C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(Cl)(I)I"]
["148818354","I[C](C(I)(I)C(I)(I)I)C(I)(I)C(I)(I)I"]
["79141723","O=C(OI)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)C(I)I"]
["148818258","I[C](C(I)(I)C(I)(I)I)C(I)(I)C(I)(I)C(I)(I)I"]
["195936689","[CH2-]C(C)(C)N=C(O)I.[Re]"]
["172856663","IC(I)=C(I)C(I)(I)C(I)(I)I"]
["26204469","O=C(C(I)(I)I)C(I)(I)C(I)(I)I"]
["175801895","FC(F)(F)C(=S)I"]
["184500175","C=C(I)C(F)(F)I"]
["25113262","CCCC(C)(I)[C](I)CC"]
["172759204","IC(I)=C(C(I)(I)I)C(I)(I)I"]
["76239759","[1O]=P([1c]1[1cH][1cH][1cH][1cH][1cH]1)([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1C]([1C]#[1C][1c]1[1cH][1cH][1cH][1cH][1cH]1)([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1N]1[1CH2][1CH2][1N]([1c]2[1cH][1cH][1cH][1c]([1C]([1F])([1F])[1F])[1cH]2)[1CH2][1CH2]1"]
["69491836","[1CH2]=[1C]([1CH]([1O][1c]1[1cH][1cH][1cH][1c]([1F])[1n]1)[1C]([1CH3])([1CH3])[1c]1[1cH][1cH][1cH][1cH][1cH]1)[1C]([1F])([1F])[1F]"]
["76239715","[1F][1C]([1F])([1F])[1c]1[1cH][1cH][1c]([1O][1CH]2[1CH2][1CH2][1CH2][1CH2][1O]2)[1c](S[1c]2[1cH][1cH][1cH][1cH][1cH]2)[1cH]1"]
["76240014","[1CH3][1CH2][1C@H]([1CH3])/[1CH]=[1CH]/[1C](=[1O])[1C@]([1O][1CH3])([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1C]([1F])([1F])[1F]"]
["76239790","[1N]#[1C]/[1C]([1C](=[1O])[1c]1[1cH][1cH][1cH][1cH][1cH]1)=[1C]1\\S[1CH2][1CH2][1N]1[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239937","[1O]=[1C]1[1CH]=[1C]([1N]2[1CH2][1CH]3[1CH2][1CH]([1CH2]2)[1c]2[1cH][1cH][1cH][1c](=[1O])[1n]2[1CH2]3)[1C](=[1O])[1c]2[1cH][1cH][1cH][1cH][1c]21"]
["76239678","[1CH3][1O][1C](=[1O])[1CH2][1NH][1CH]([1C]#[1C][1c]1[1cH][1cH][1cH][1cH][1cH]1)[1C]([1F])([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["69491910","[1CH2]=[1C](S[1c]1[1cH][1cH][1cH][1cH][1cH]1)[1CH]([1O][1c]1[1cH][1cH][1cH][1c]([1F])[1n]1)[1C]([1CH3])([1CH3])[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["69491965","[1CH2]=[1C]([1C]([1CH3])([1OH])[1C]([1CH3])([1CH3])[1c]1[1cH][1cH][1cH][1cH][1cH]1)S(=[1O])(=[1O])[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["79890377","C1=CNCCC[N+]=1"]
["193624156","C1=CCCC1.C1=CNCC1"]
["78472185","C1=CNCC1.[N]"]
["90149022","Oc1ccc(N2CCCNCC2)cc1"]
["173929940","CSC1=CNCCCC(C=O)=C1"]
["168154002","C1=NCCN=CC2=CNCCCNC=C3C=NCCN=CC(=CNCCCNC=C1C=NCCN=C2)C=NCCN=C3.[Cu+2].[Cu+2]"]
["52160240","O=C1/C=C\\NCCCC1"]
["69890843","CC1=CC2=CNCCCNC=C3C=C(C)C=C(CN4CCN(CC4)CC(=C1)C2=O)C3=O"]
["76139058","[CH]1NCCCC1N1CCCCC1"]
["180473452","C1=CNCCCOCC1"]
["177442334","C1=CNCCC1.C=CCCl"]
["79805741","C1#CNCCCN1"]
["183687882","ON1CC=NC2=C1C1=C(CCC(n3cccc3)=C1)CC2"]
["93015700","c1cc2c(o1)CCc1c-2nc2sccn12"]
["84216390","Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(Cc2ccccc2)CC1"]
["MCULE-7368189676","CCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C(C)=O)cc1"]
["22814495","CCC(Cc1ccccc1)N=C(O)C1CCN(c2nnc(-n3cccc3)s2)CC1"]
["162563229","Cc1cnc(NC2CCC2C)nc1C"]
["6596455","COc1cccc(C(=O)N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1OC"]
["124249438","COC(C)COC(=O)c1cnn(C)c1-n1cccc1"]
["21373184","Cc1ccn2[nH+]cc(C(=O)N3CCN(C4CCCC4)CC3)c2n1"]
["MCULE-7634920679","Cc1cccc(O)c1Cn1nc(C2CCCC2)cc1CBr"]
["4726080","COc1ccc(Br)c(C(=O)N2Cc3nn(-c4ccc(C)cc4)c(-n4cccc4)c3C2)c1"]
["101474148","Fc1cccc(N2CC=NC2=S)c1"]
["194286556","N.N.[O-]P([O-])[SH+]CC[OH2+]"]
["172304741","N.N.O=P(=O)OP(=O)(O)CC[OH2+]"]
["177119729","C[OH+]C(C)[OH+]P([O-])[O-].N.N"]
["103043900","O=C1C([O-])=C(Br)[N+](OCC[OH2+])=C1Br"]
["49140309","CS(=O)(=O)CC[OH2+]"]
["172849699","N.O=[N+]([O-])[O-].OCC(CO)(CO)C[OH2+]"]
["190181354","O=P(=O)[O-].[Cl-].[Cl-]"]
["190575330","CC([OH2+])C[SH+]P([O-])[O-].N.N"]
["99453406","CC[Si](CC)=[O+]P([O-])[O+]=[Si](CC)CC"]
["180525021","CCN(CC)P([O-])NC"]
["175461656","C.O=P(=O)[O-].[Zn+2]"]
["162122739","OCC[OH2+].OP(=S)=S"]
["175888501","CC.CC.[B+]=c1c2c(c(=[B+])c3[nH+]n[n-]c13)NN(C)[N-]2"]
["162371230","CC(=O)c1c[nH]c(-c2cc(Br)c(Br)o2)n1"]
["90141315","Cn1cc(Br)c2cccc(C(C)(C)O)c21"]
["113633640","CC1CC(C(O)=NC(C(=O)O)c2cnn(C)c2)CCN1"]
["87095284","Cn1nnc(=NS(=O)(=O)c2ccc(N)c(Br)c2)[nH]1"]
["MCULE-5200855020","Cn1cc(Br)c(=NC(=O)c2ccc(Cl)nn2)[nH]1"]
["87975482","Cn1ccc(-c2cnoc2N)c1"]
["161000181","CC1CN(C(O)=NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)C(C)CN1"]
["113068608","CCOC(=O)c1cnn(C)c1CNC(C)(CC)CCO"]
["56347814","CC(C)C[C@H](C)N=C(O)C1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1"]
["163801675","Cc1cc(CN=C(O)C2Cn3c(C)nnc3CN2)c2[nH]c(C)c(C)c2c1"]
["2813421","CC1(C)CC(N=C(O)c2cnn3c(-c4ccccc4)cc[nH+]c23)CC(C)(C)N1"]
["185394367","[Se]=C1N=NC([SeH])=N1"]
["65354217","[Se]=C1N=c2ccccc2=N1"]
["195707167","Fc1c(F)c(F)c2c(c1F)N=IN2"]
["18819217","O=C1N=NC(CS)=N1"]
["83347747","C=C1N=NC(O)=NC1=NCC[NH3+]"]
["76826671","[O]C1=NC(=[Se])N=NC1c1ccc(F)cc1"]
["101091006","N1=NC1=C1N=N1"]
["97164107","F[C]1N=C(F)C(F)=C=C1F.[Ag]"]
["161689387","FC1=NC(=C2N=C(F)C(F)=C(F)C(F)=C2F)C(F)=C(F)C(F)=C1F"]
["179244871","[NH3+]C1=IC(CCl)=NC(Cl)=N1"]
["66461145","CC1=NC(=C(C)C)N=N1"]
["51761181","CC1=C(C)S(=O)(=O)SC1=[Se]"]
["181376242","[NH2+]=N[N-]SNN=NO"]
["21087942","N#C/C(=N\\O)C(=N)N[O-]"]
["79841569","O=[C]C(CS)N=NO"]
["26166676","COC(O)=NO"]
["185721675","[NH+]#CN=NO"]
["178603120","C/C=C(\\N=NO)NC"]
["175376944","[NH2+]=Nc1ccccc1NO"]
["66816537","CNC(C#N)=NCl"]
["51815803","ON=NC=CNNO"]
["183025539","[NH+]#CN=C(N=O)NBr"]
["185502711","N#CSNN=N[N+](=O)[O-]"]
["179741998","C=CCC#CC1CC1C(O)=NS(=O)O"]
["177177350","ClP(Cl)CCP(Cl)[ClH+]"]
["65129738","CP(Cl)Br"]
["172253099","ClOCC(C1C=CC=C1)C1C=CC=C1"]
["90935466","O=S(=O)(CCP(Cl)Cl)c1ccccc1"]
["78947204","CP(Cl)CCP(C)Cl"]
["162330295","ClCC#CCOP(Cl)Cl"]
["19010173","ClP(Cl)Cl.SCl"]
["174500208","Cl.ClCOCCl.[Zn]"]
["67591843","[O-]P(Cl)Cl"]
["78666178","CCCCCP(Cl)C(C)(C)C"]
["84016929","CCCCP(Cl)SC(C)C"]
["63148563","CC(C)P(Cl)CCP(Cl)C(C)C"]
["76239827","[1CH3][1O][1C](=[1O])[1c]1[se][1c]([1C](=[1O])[1O][1CH3])[1c]([1C](=[1O])[1O][1CH3])[1c]1[1C](=[1O])[1O][1CH3]"]
["76239649","[1CH3][1O][1C](=[1O])[1c]1[1cH][1cH][1cH][1cH][1c]1/[1C]([1O][1CH3])=[1C]1/[1CH2][1CH]([1C]([1CH3])([1CH3])[1OH])[1O][1C]1=[1O]"]
["76239835","[1CH3][1O][1C](=[1O])[1C]1=[1CH][1CH]=[1C]2[1C@H]([1CH2][1CH2][1CH2][1C]2([1CH3])[1CH3])[1C@H]1[1C](=[1O])[1O][1CH3]"]
["76239871","[1O]=[1C]([1O][1CH2][1CH]([1F])/[1CH]=[1CH]/[1c]1[1cH][1cH][1cH][1cH][1cH]1)[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239767","[1CH3][1O][1C](=[1O])[1c]1[1c]([1C](=[1O])[1O][1CH3])[1c]2[1n]([1c](=[1O])[1c]1[1OH])[1CH2][1CH2][1CH2][1CH2]2"]
["76239647","[1CH]#[1C][1C]1=[1C]([1C](=[1O])[1O][1CH3])[1CH]([1c]2[1cH][1cH][1cH][1c]([1N+](=[1O])[1O-])[1cH]2)[1C]([1C](=[1O])[1O][1CH3])=[1C]([1CH3])[1NH]1"]
["76239824","[1CH3][1O][1C](=[1O])[1c]1[1c]([1C](=[1O])[1O][1CH3])[1c]2[1n]([1c](=[1O])[1c]1[1OH])[1CH2][1CH2][1CH2][1CH2][1CH2]2"]
["76239718","[1CH3][1CH2][1O][1C](=[1O])/[1CH]=[1CH]/[1N]=[1C]1[1N]([1CH2][1CH3])[1C](=[1N]/[1CH]=[1CH]/[1C](=[1O])[1O][1CH2][1CH3])[1N]1[1CH2][1CH3]"]
["76239926","[1CH3][1O][1C](=[1O])[1N]([1CH2][1c]1[1cH][1cH][1c]2[1c]([1c]1I)[1O][1CH2][1O]2)[1C](=[1O])[1O][1CH3]"]
["76239764","[1CH3][1O][1C](=[1O])[1c]1[1c]([1OH])[1c]2[1cH][1cH][1cH][1cH][1c]2[1n](-[1c]2[1cH][1cH][1cH][1cH][1cH]2)[1c]1=[1O]"]
["76239843","[1CH3][1O][1c]1[1cH][1c]([1CH]=[1O])[1cH][1c]([1O][1CH3])[1c]1[1O][1C](=[1O])[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["173579663","S=[S+]SSS(=S)S123=P(S1)(S2)S3"]
["79873987","S=S=S=S=S=S=S(=S)=S"]
["22599654","CS[PH+]1SP(SC)(=S=S)S1"]
["78574154","O=S(=S)=S=S"]
["182280742","OS(=S)SSSSS"]
["99769243","CCCB=S([S-])S(=S)I"]
["24187402","CSP1(=S)SP(=S)(SC)S1"]
["78537270","S=S=S(=S)=[SH](=S)I"]
["78541719","CCCCO[SH](=S)=S(=S)=S(=S)=S=S"]
["78602902","O=S(=S)=S=S=S=S"]
["65048670","S=S=S(Cl)Cl"]
["78530232","O=S(=S)=S(=S)=S(=S)=S=S"]
["99440050","CC=CB1N(C)[B]N(C)B(C=C(C)C=CC)N1C"]
["199271447","C/C=C\\C(=C/C)CC.CCC"]
["169913786","C=NC(/C=C\\C)=C(/C)Cc1ccc(C2CN(C)C2)cc1"]
["175987930","C/C=C\\NC(/C=C/C)=NC"]
["111814957","C/C=C/C(=O)Cc1cc(CC)nn1C"]
["184942622","CC.CC=C=C/C(C)=C(C)\\C=C/C"]
["195441073","C/C=C/C(=O)N1C(=O)OC[C@H]1PC"]
["76809775","C=CC#CC=C(C)C=CC"]
["176755150","C#CC.C/C=C\\C(=C/C)CC"]
["19531470","C/C=C(\\C)CN1CCOCC1"]
["149974464","C/C=C\\C(=O)CCCCCC(=O)CC"]
["174147976","C=C(/C=C\\C)/C(C)=N/N1CCN=C(O)C1"]
["73725641","S1Sc2ssc2-c2ssc21"]
["100205542","O=C1SSC(=O)SS1"]
["179344994","OC1(O)c2ccsc2-c2sccc21"]
["175405165","[PH-]C1([PH-])Oc2ccsc2-c2sccc21"]
["179285705","CSc1ccsc1C1=CC2C=C(c3sccc3SC)SC2S1"]
["48571999","Clc1ccsc1-c1ccco1"]
["44894545","CC1Sc2sccc2C1C"]
["173846836","CC1=C(C)C(C)c2ccsc21"]
["144584360","Cc1ssc1-c1ssc1C"]
["89187979","N=C(N)CC1CCc2sccc21"]
["47525058","O=c1[nH]osc1=O"]
["29230685","c1cc2c(s1)-c1sccc1C21c2ccsc2-c2sccc21"]
["97396189","CN(C)[B+]B([I+])N(C)C"]
["145719346","B[C@@H]1CC[C@@H]1N(C)C"]
["52131935","CCB(CC)NP(N(C(C)C)C(C)C)N(C(C)C)C(C)C"]
["48730639","C[C@@H]1CC[C@H](C)B1OCCN(C)C"]
["43384106","CN(C)C=O.O=S(Cl)Cl"]
["100209614","CN=C(C)N(C)C.CN=C(C)N(C)C"]
["25951518","CN(C)B(Cl)N(C)C"]
["78163490","C=[N+]N(C)C"]
["179161954","CN(C)C(=[NH2+])N(C)CC(=O)O"]
["185471589","CCCCOB(Cl)N(C)C"]
["177777417","CB(C)/C=C\\N(C)C"]
["173980028","CN(C)OB(I)OP(C)(C)(C)C"]
["177875404","C#CCOc1cc2c(CC(N)C#CCOc3ccc4c(c(CC(N)C#CCOc5cc(C#C)c6c(c5)c(CCN)cn6CC#C)cn4CC#C)c3C#C)cn(CC#C)c2cc1C#C"]
["29966086","CC#CCOc1ccc(S(=O)(=O)NC(Cc2cn(Cc3ccccc3F)c3ccc(C(=O)O)cc23)C(=O)O)cc1"]
["MCULE-4171127600","C#CCOc1cn(CCC)c(CN2CCC(O)CC2)cc1=O"]
["MCULE-7762984282","C#CCOc1cn(Cc2ccccc2Cl)c(CNc2cc(OC)cc(OC)c2)cc1=O"]
["144683807","NCCc1cn(C2CCCCC2)c2ccccc12"]
["43850305","C#CCOc1ccc(CCN=C(O)C(Cl)c2ccc(Br)cc2)cc1OC"]
["89275641","CCC(C)OC(=O)Cn1cc(CN)c2cc(F)ccc21"]
["42703451","C#CCOc1ccc(Br)cc1/C=C(\\C#N)C(O)=N[C@@H]1CCCC[C@@H]1C"]
["1087933","C#CCOc1ccc(CON(C)C(=O)c2cccn2C)cc1OC"]
["84865432","C#CCOc1ccccc1CNC1C(C)(C)C1(C)C"]
["MCULE-4312828258","C#CCOc1ccccc1-n1cc(CCC)cn1"]
["MCULE-3549748076","C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(C)c(C)c2)cc1=O"]
["173677625","[B]C[B]C1C([B])(O)[B]C2(C)[B]C23[B]C(C)(C)C([B])([B])C3([B])CC(C)C([B])(C([B])[B])C1([B])C"]
["159184083","C[C@H]1C[C@@]1(C)C(O)=Nc1ncc[nH]1"]
["150394389","CC1C=CC2CC3CC(C2)C(C(C)(C)OC(O)C(CC(C)(C)C)C(C)(C)C)(C1)C3"]
["45130773","C[C@H]1NC(C)(C)COC1(O)c1cccc(Cl)c1"]
["156585001","CCN=C(O)N=C(O)[C@H](C)N[C@@H]1CC(C)(C)OC1(C)C"]
["180410256","CC1CC1(C)C=C=C=[N+]1C2(C)CC12C"]
["34712389","C[C@H]1CCC2[C@]1(O)CC(C)(C)C[C@@H]1C[C@]21C"]
["173214151","CC1(C)C=[N+](O)C(C)(C)N1.O"]
["156585006","CCN=C(O)N=C(O)[C@H](C)N[C@H]1CC(C)(C)OC1(C)C"]
["47206885","C=C(C)C12CC3/C(=N\\O)C(C1)C(C)C(/C3=N/O)C2(C)O"]
["75245353","[3H]OC(C)(C)C12CC([C@H](C)C1)C(C)(C)[C@@]2(C)OC"]
["86815356","CCN(c1ccc(F)cc1)C1(CN)CCC(C)(C)CC1C"]
["197799797","C1=CNC(=[Si+]C23CCC(C2)C(=[Si]=C2N=CC=N2)C3=[Si]=C2N=CCN2)[N-]1"]
["195681216","CC(C)N/N=C(/c1c([B]O)c[nH]c2nccc1-2)C1C2CC3CC1CC(O)(C3)C2"]
["MCULE-2226317498","CC1(c2nn(-c3ccnc(C4CC4)c3)c(Cl)c2C2CC2)CC1"]
["178140289","COC1=CC2C(C=C1)c1c(C3CCCCC3)c3ccc(C(O)=NS(=O)(=O)C(C)C)cc3n1CC1(S(=O)(=O)N3C4CCC3CC(C)(O)C4)CC21"]
["157241840","O[C@@]1(c2cn[nH]c2)[C@@H]2CCCC[C@@H]21"]
["32488937","CSc1nc2c3c(cn([C@@H]4O[C@H](CO)[C@@H](O)[C@@]4(C)O)c3n1)N=CCN2"]
["162455453","CC1(CC(O)c2cn[nH]c2)CCC1"]
["82845837","CC1N=C(O)C(C(=O)N2CCC(O)(c3ccccc3)C3CCCCC32)CN1"]
["172961768","CC(C)N/N=C(\\c1c([B]O)c[nH]c2nccc1-2)C1C2CC3CC1CC(O)(C3)C2"]
["176417630","COc1ccc(CC23CC4CC[C@H]5OC(=O)C(=C[C@H]2C)[C@@]45O3)c(OC)n1"]
["31046708","N#CCOC1CCC(N(c2c(N)c[nH]c3nccc2-3)S(=O)(=O)c2ccccc2)CC1"]
["143905476","CC1(O)CCN(C(O)=NC2CCCCC2n2cccn2)C1"]
["174074209","C[SiH](C)CC(CN1CCN(CN(C[SiH](C)C)C[SiH](C)C)CC1)C[SiH](C)C"]
["933213","CCN1CCN(CC(O)COCc2cc(OC)c(OC)c(OC)c2)CC1"]
["143365980","CC(C)(O)CN1CCN(CC(O)COc2cccc([N+](=O)[O-])c2)CC1"]
["104243882","C[C@H](O)CN(C[C@@H](C)O)CN1CCN(C[C@@H](C)O)CC1"]
["103369190","Cc1ccc(C(=O)N2CCN(C[C@@H](C)C#N)CC2)cc1"]
["29997799","CC(C)Oc1ccccc1CN1CCN(CC(N)c2nc3ccc(F)cc3s2)CC1"]
["47226230","Cc1sc(C(=O)N2CCN(CC(C)C)CC2)cc1N"]
["139494486","CC(C)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1"]
["58473208","CCCNC(CCC)CN1CCN(CC(F)(F)F)CC1"]
["124960951","O=C(c1ccc(F)cc1)N1CCCN(CC(O)c2cccc([N+](=O)[O-])c2)CC1"]
["109137702","COc1cccc(CO[C@H](CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c2ccc(Cl)cc2)c1"]
["190061689","CC(C)CN1CC(CN2CCN(C)CC2)C1"]
["101086452","[b+]1[nH]cc[cH-][cH-][nH]1"]
["79256838","c1c[nH][n+]#[n+]1"]
["79773573","[K+].[K+].c1cc[cH-][cH-]ccc#1"]
["96551249","Cn1[b+][nH]cc1.[Li-]"]
["34093987","c1c[nH][14cH]n1"]
["175844076","[Ga].[Zn].c1cc[nH]c1"]
["110908411","[b+]1cccc[nH]1"]
["79773306","[Na+].[Na+].c1cc[cH-][cH-]ccc#1"]
["79882607","[Ga].c1cn[nH]c1"]
["100918650","[b+]1cc[nH]cc1"]
["100989588","[Li-].[b+]1[nH]cc[nH]1"]
["110851681","[Pt].c1cn[nH]c1"]
["63188841","C[Te]C#C[Te+](C)C.[I-]"]
["185344340","CC1(C)C=CC(C)(C)OOC(C)(C)OO1"]
["79275644","C[Te]n1c(O)nnc1O"]
["172489332","O.[2H]CC#N"]
["32526094","CCCC[Te]C#CCO"]
["47398269","C[Te]C#C[Te+](C)C"]
["172682054","C=C(C#N)[Te]C"]
["52924968","C[Te]C#CC#C[Te]C"]
["91634982","C[Te]C#CC#CC#CC#C[Te]C"]
["49950221","C[Te]C#C[Te]C"]
["91407236","CCCC[Te][Te]C"]
["164560589","C[Te]CC#C[Si](C)(C)C"]
["172237900","SC=COc1cc(OC=CS)c(OC=CS)c(OC=CS)c1"]
["96839762","CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)cc(OC(C)=O)cc2c1"]
["62590590","CCc1cc(OCC=C(Cl)Cl)cc(C)c1OC=CNOC(C)(C)C"]
["149721218","C=CC(=O)OC=COc1ccc(-c2ccc(-c3ccc(OC=COC(=O)C(=C)C)cc3)cc2F)cc1F"]
["149956892","CC(C)C=COc1cc2ccccc2oc1=O"]
["167156112","C=COc1cc(Br)ccc1C(=O)O"]
["33928602","COc1cc(O)c(Br)c(OC)c1"]
["25787133","C=CC=COc1ccccc1"]
["87804335","CCOc1cc(C)c(C2(N)CCCCC2)cc1C"]
["163934993","COc1cc(OC)c(/C([O-])=C/[N+]#N)c(OC)c1"]
["164373841","C=CC(C)(C)C(S)c1cc(OC)c2c(OC)ccc(OC)c2c1OC"]
["44484485","CCOC(=O)C(=O)C=C([O-])c1cccc(OC)c1"]
["173331633","[B+]=C1C=[C-]C(P(C2=CCC(=[B+])C=C2)/C2=C/C[C-]=CC#CC2)C=C1"]
["173989785","[B+]=C1C=[C-]C(OC(F)(P)P)C=C1"]
["184524936","C1#CCc2nccnc2N=C1"]
["176156486","CC.CC.[B+]=C1C=[C-]C(OCc2ccccc2N=C(O)OCC)C=C1"]
["99712438","[B+]=C1C=[C-]C(N=c2nc(-c3ccccc3)nc(-c3ccccc3)[nH]2)C=C1"]
["179094795","[B+]=C1C=CC(=NC)C([NH-])C=C1"]
["196379298","[B+]=C1C=[C-]C(N[C@@H]2CCCN(C)C2)C=C1"]
["195286621","[B+]=C1C=[C-]C(N=C(O)c2c[nH]n3c(NC(C)(C)CC(C)(C)C)c(C(C)(C)C)nc23)C=C1"]
["173226745","CC1=CCC(Cl)=C(C)C=C1"]
["174243019","[B+]=C1[C-]=CC(CSc2nc3c(o2)=CCCC=3)C=C1"]
["99714887","[B+]=C1C=[C-]C(SCOC)C=C1"]
["99733869","[B+]=C1C=[C-]C(N=C(O)c2ccc3c(c2)nc(Nc2c(Cl)cc(F)cc2Cl)n3C)C=C1"]
["99613159","COC(CCCC([Si+])SSSSC([Si-])CCCC(OC)OC)OC"]
["187153506","CC.COC(O)CCC1CCC1"]
["195188618","COC(CCC=CCCCCCCCCCI)OC(CCC=CCCCCCCCCCI)OC"]
["183135045","CCCC(OC)OC(N=[N+]=[N-])C(C)(C)C"]
["26931305","COC(CSCC(OC(C)=O)C(C)=O)OC"]
["181181223","CCOC(CCCCCCCCCCCCCCCON=[N+]=[N-])OC"]
["195188532","CCCOC(CCCCCCCCCCCCCCCC=CC(OC)OC(C=CCCCCCCCCCCCCCCCC(OCCC)OCCC)OC)OCCC"]
["78450876","CNC(CCC(OC)OC)C(=O)O"]
["172610331","CCCOC(=O)C(C)C(=O)OC(CCOC)OC"]
["99127371","COC(CN[SH](=O)=O)OC"]
["93763312","COC(C)CSCCCO"]
["25361122","CO[Si](CC(C)SSSSSSSC(C)C[Si](OC)(OC)OC)(OC)OC"]
["175439978","C[NH2+]/C=C1/C[NH+](C)CCC1=N"]
["21529683","Cc1ccc2c(c1)=C(C1=CC[NH+](C)CC1)C[NH+]=2"]
["195911020","CC([NH3+])=C1CCCCC1=N"]
["25161621","CC(C)C=C1CC1"]
["175223728","CC1CC=C(/C=C2\\CCCNC2=N)C=C1O"]
["188772183","CC(C)=C/C=C(\\C)N1CCCC1=N"]
["68548584","C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1"]
["54015649","COC1=CC=C2C[NH+](C)CC=C2[N-]1"]
["182038314","CCC(O)(CC)N1CNC(=N)S1"]
["178639884","[Be+2].[CH-]=C1[CH-]CCC1.[CH2-]C"]
["113854776","CC1CN(c2nnc(C(C)N)o2)CC(C)S1"]
["32401469","CC12CCCC(C=O)=C1C=CC2=O"]
["98242798","CC1=c2c(C)c(C)c3c4c(c(C)c(C)c3c2Oc2c1c(C)c(C)c1c3c(c(C)c(C)c21)NC(C)(C)CC3)=NC(C)(C)CC4.CC1=c2c(C)c(C)c3c4c5c(c(C)c3c2Oc2c1c(C)c(C)c1c3c6c(c(C)c21)CCC[NH+]6C(C)(C)CC3)CCC[N+]=5C(C)(C)CC4"]
["67350210","CC1=c2c(C)c(C)c3c4c(c(C)c(C)c3c2Oc2c3c5c(c(C)c21)CCCN5CCC3)=CCC4(C)C"]
["60715979","CC1=c2c(C)c(C)c3c4c(c(C)c(C)c3c2Oc2c1c(C)c(C)c1c3c(c(C)c(C)c21)NC(C)(C)C3)=NC(C)C4"]
["44335759","CCOc1c(C)c(C)c2c(c1C)CCC(C)(C)N2.Cl"]
["73931934","CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C)(c3cc4c(cc3C)N(C)C3C45CCN4CC=C[C@](CC)(C45)[C@@H](O)[C@]3(O)C(O)=NCCCO)C2)C1"]
["1129784","Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)NC2=O"]
["81255360","Cc1cc(O)c2c3c(c(O)c4c(c13)OC(C)C4(C)C)NC2=O"]
["57206460","COP(=O)(O)CP(=O)(O)OP(=O)(O)OCCCCCC[NH+]=C(O)CCCCCN=C(O)CSc1c(C)c(C2=c3cc4c(c(S(=O)(=O)O)c3Oc3c2cc2c(c3S(=O)(=O)O)NC(C)(C)CC2C)=NC(C)(C)CC4C)c(C(=O)O)c(Cl)c1Cl"]
["141396066","COc1cc(C2(C(O)=NCc3cc(F)cc4c3OCOC4)CCCC2)ccc1C"]
["67582472","CC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)Oc2c(S(=O)(=O)O)c3c(cc2=C1c1c(Cl)c(SCC(O)=NCCCCCC(O)=NCCc2cnc4c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cc5c(cc2Br)OCO5)C4)c(Cl)c(Cl)c1C(=O)O)C(C)CC(C)(C)N=3"]
["42407077","COP(=O)(O)CP(=O)(O)OP(=O)(O)OCCCCCCN=C(O)CCCCCN=C(O)CSc1c(C)c(C2=c3cc4c(c(S(=O)(=O)O)c3Oc3c2cc2c(c3S(=O)(=O)O)NC(C)(C)CC2C)=NC(C)(C)CC4C)c(C(=O)O)c(Cl)c1Cl"]
["176534089","C=C1C2=CC(C)(C)[C@H](c3cc(C)c(C)o3)NC2=C1Nc1ccc(C)c2c1C(=O)N(c1cc(OC)ccc1C)C2"]
["184211377","[CH2-][I]SC1CCC(C2C[I]2)CC1"]
["44389778","N=C(O)[C@H]1CC2CCC1C2"]
["184631137","CC1CC(SC2CC2)C1"]
["112776248","CSC1CCC(NC2=NCC(C3CC3)S2)CC1"]
["179447912","CC1CCC([C-]=NN=[C-]C2CCC(C3CCC(C)CC3)CC2)CC1.[U+2]"]
["180272869","N#CC(C#N)C(O)C1CC2CCC1C2"]
["157221602","N=C(NN)[C@@H]1C[C@H]2CC[C@H]1C2"]
["111034187","CSC1CCC(NC2CCSC2C)C1"]
["179078899","[CH2-]I=I[C@H]1CCCC[C@H]1I"]
["178837546","C=[NH+]C1CCCCC1NC"]
["180424801","O=[N+]1CCC(C2CC2)C1"]
["78798203","CCSC1CCC(C2CCC(C)CC2)CC1"]
["48771903","[2H][C-](C)[N+](C)=C=NC"]
["84268963","CN=C=CC(=O)N(C)C"]
["172742986","C[N+](C)=NP.[Cl-]"]
["192830306","C.CC.CN=C=O"]
["179485572","CCC(C)C(C)=C=NC"]
["101096428","[2H][CH+]C#[C-]"]
["175697593","CN=NC.[Co].[Cu]"]
["184928533","C=[N+](C)C=NC"]
["150248721","CN=NC(C)Cl"]
["174928028","C=N/C=C(/C)C=NC.CC.CC"]
["190377183","CN=C=O.O=C(O)Cl"]
["178855215","CN=[N-].[C-]#CC.[Ru+2]"]
["196585841","CCC[N+](=C([O-])C[NH3+])c1ccc([S-]([O-])[NH2+]c2ccc(Cl)c3c2[NH2+]C=C3[Cl+]C)cc1"]
["MCULE-3696634088","COc1ccc([N+](=O)[O-])cc1N=C(O)CN=C(O)C(c1ccc(Cl)c(Cl)c1)C(C)C"]
["MCULE-2610247469","CCCc1cc(C(=O)N(CCN)C(C)=O)nn1Cc1ccccc1Cl"]
["111309621","CC(=O)c1ccc(Br)cc1OCc1cc(Cl)ccc1Cl"]
["MCULE-1825925431","CCCC(N=C(O)c1cc([N+](=O)[O-])ccc1Cl)C(O)=NCC(O)=Nc1ccccc1"]
["133051660","Cn1nc(C2CCC2)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12"]
["169385419","CCOC(=O)CN(C(C)=O)c1cc(Cl)ccc1Cl"]
["85602963","CC1(C)CCCC(CO)(Nc2ccc(Cl)c(Br)c2)CC1"]
["MCULE-9890347167","CC1CCCN(C(=O)c2ccc(COc3cc(Cl)ccc3Cl)cc2)C1"]
["MCULE-5776501625","CCC[C@H](C(O)=NCc1cc(Cl)ccc1Cl)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["58197856","CCOC1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1"]
["107609385","Cc1ccc2c(c1C)-c1c(Cl)cccc1[C@@H]2CC(=O)O"]
["101080577","C1=CNP(p2ccpc2)N1"]
["61821637","c1cpccn1"]
["184638478","P[p+]1pccp1[PH3+]"]
["61559190","O=c1cpcc[nH]1"]
["54951771","C[Si](C)(C)OP1NC=CO1"]
["183176776","IC1OC=CNO1"]
["79653625","c1c[nH]pc1"]
["100277114","ClP1NC=CN1"]
["172705620","c1ccc[pH]cccccpcc1"]
["159915078","[B].c1ccpcc1"]
["161787336","c1cpcnn1"]
["101080573","C1=CNP(p2cpcp2)N1"]
["75087697","[C-]1=NCC[S+]=CC1"]
["74734525","NC1COc2cnc(Cl)cc21"]
["73937186","Clc1coc(C2C[N]CCO2)c1"]
["74761912","C1=NC[S+]=C1.[Br-]"]
["119336831","FCc1cc(Cl)ccn1"]
["157613433","CCO[C@@H]1C[C@H](O)C12CCN(c1ncc(Cl)cn1)CC2"]
["56896486","C1=[S+]CCC1"]
["99582837","C1=[S+]CNC1.[I-]"]
["150595422","FC1=CC(Cl)=NCC1"]
["56185963","[Br-].[C-]1=NC=CC1.[Zn+2]"]
["93080884","CC1CC(n2c(S)nc3c(Cl)cccc32)C1"]
["161647755","Clc1nccc(N2CCOc3ccccc32)n1"]
["195870426","CCCI=c1c2c3cc(C)c(=c4ccc5c6c(CC(C)CC)c7c8ccc(-c9cc(C)c%10c%11c(c(C)ccc9%11)-c9c(C)ccc(C)c9-%10)c9cccc(c7c(=ICCC)c6c6cccc4c56)c98)c4cccc(c-2c(C)c2c[cH-][cH-]cc12)c34"]
["171751070","CCCI=C1C=CC2=[S-]c3[b-]4c5c(cccc5[n+](-c5ccc6c7ccccc7c7ccccc7c6c5)c3C2=C1)N(c1ccc2c3ccccc3c3ccccc3c2c1)c1c-4sc2ccc(=ICCC)[cH-]c12"]
["91206186","CCCc1cc2cc(CCC)cc3c4ccc5c6c(CCC)c7c8ccc9c%10ccc%11c%12c(ccc(c%13ccc(c7c(CCC)c6c6ccc(c(c1)c23)c4c65)c8c%139)c%12%10)-c1c-%11c(CCC)c2ccccc2c1CCC"]
["18790496","Cc1ccc(N2CC[C@H](C(O)=NC[C@H](C)Cn3cc[nH+]c3C)C2=O)cc1C"]
["31949145","Cc1nc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc2c1C"]
["78631242","Cc1cc(-c2cc(-c3cccc4ccccc34)c3ccc4c(-c5cc(C)c6c(c5C)C5(C)CCCCC5(C)N6c5ccccc5)cc(-c5cccc6ccccc56)c5ccc2c3c45)c(C)c2c1N(c1ccccc1)C1(C)CCCCC21C"]
["74165958","C=CC1(Oc2cc3c4c(cccc4c2N)CC(N2CCCCC2)=C3)N(C)C/C(=C\\C=C/CC)C1(C)C"]
["195655601","CCc1c2c3cccc4cccc(c2c(CC)c2c5ccc6c7ccc8c9cc(C)c%10c%11c(c(C)cc(c%12ccc(c%13ccc(c12)c5c%136)c7c%128)c%119)=c1c(C)c(C)c(C)c(C)c1=%10)c43"]
["94604506","CCC(C)CC(Cl)Cc1ncccc1C"]
["190284195","CCOC(=O)C[C@H](CC(=O)C(CC(C)C)n1cc(CCN2CC(OC)C2)c(C)cc1=O)c1cc(-c2c(C)cccc2C)cc(C)c1F"]
["190062963","CCC(C)Cc1c(C)cccc1NCCCCCCCCN"]
["178538503","Cc1c2c(c(-c3ccccc3)c3ccccc13)-c1ccc3c4c1c-2ccc4c1cccc2c1c3c1cccc3c4ccc5c6c(ccc(c64)c2c31)-c1c-5c(C)c2ccccc2c1-c1ccccc1"]
["174527093","C=C1/C(=C\\C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@@](C)(C/C=C/C(C)(O)C(F)(F)F)CCCC(C)(C)O)CCC[C@@H]1F"]
["55865728","CC12CCc3c(ccc4c3CC[C@H](O)C4)C1CC[C@@H]2O"]
["28294378","CC(SCCCCC(C)(C)O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C"]
["68598709","C=C1CC[C@H](O)CC1=CC=C1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CCC[C@H](C)CO"]
["149831050","CCC(F)(C(F)(F)F)C1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(S(=O)(=O)N(C)C)cc3)CC21C"]
["174060821","CCCCC(C)([SiH3])CCC(CC)[C@H]1CC[C@H]2C(=O)CCC[C@]12C"]
["185009510","C=CC[C@@H](C)[C@H](C[C@H]1CCO1)S(N)(=O)=O"]
["110406141","CC(C)(O)/C=C/C[C@@](C)(O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]
["98562014","C=C1C(=CC=C2CCCC3(C)C2CCC3[C@H](C)C=C[C@@](C)(O)C(C)C)C[C@@H](O)C[C@@H]1O"]
["156806162","CN(C[C@@H]1CCC[C@@H]1O)C(O)=N[C@@H]1c2ccccc2CCC1(C)C"]
["176417369","CC(C)(O)C1=C[C@H]2CCCC[C@@]2(C)CC1"]
["52129369","C=C1[C@H](C)CC(=C/C=C2\\CCC[C@]3(C)C([C@H](C)CC)CC[C@@H]23)C[C@H]1C"]
["172643933","O=C(O)C(=O)N(N1N2CC3CC(C2)NN1C3)S12CC3CN(C1)NN(C3)N2"]
["87332026","COc1cc(OC)cc(C(=O)C2CN(C)CCCN2C)c1"]
["158611604","N=C(O)[C@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@H]2C3)O1"]
["52033498","O=C(C1CC1F)N1C[C@@H]2C[C@@H](C1)N2"]
["171489957","[2H]O[C@H]1C[C@@H](C(=O)O)N(C)C1"]
["120513456","CN1CCCC(C2(C(=O)O)CC(F)(F)C2)C1"]
["87920705","O=C(O)C1CC(=O)N2CCCC12"]
["174223664","CN(CC=O)C(=O)[C@H]1CCCN(C(=O)O)[C@H]1C(=O)O"]
["76319638","COC1(N(N)C(=O)C2CCCN(C(=O)CCC3CCNCC3)C2)C(=O)C(=O)C1C(=O)O"]
["86637645","O=C(O)[C@H]1CCCN(C(=O)CN2C(=O)CN=C2O)C1"]
["137330071","Cc1nc(-c2ccc(N=C(O)C(=O)N(CCC(C)C)C3CC3)cc2)n[nH]1"]
["33179014","O=C(O)C(F)(F)F.O=C(c1ccco1)N1C[C@@H]2CN[C@@H](C2)C1"]
["74621965","CC1(C)O[C-]=C(C=[N+](CCN(C=C2[CH-]OC(C)(C)C2=S)CC2=COC(C)(C)C2=S)CC2=C=[O+]C(C)(C)C2=S)C1=S"]
["9228704","COc1ccc(N=C(S)N(Cc2cc(OC)c(OC)c(OC)c2)Cc2ccco2)cc1Cl"]
["73982831","COc1ccccc1PCC=[N+]([CH-]CPc1ccccc1OC)c1ccccc1"]
["133977842","C=CCN(CCN1C(=O)CCC1=O)Cc1cccc([N+](=O)[O-])c1"]
["154197254","C/C=C(\\C)C(=O)O[C@@]12CC=C(CO)[C@@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)[C@H]1O[C@]12C"]
["161372026","CCCC/N=C1/O/C(=C/C2(C)C=CC(N(CC)CC)=CC2)C(=O)N1CC"]
["31652111","COCCCN(CCc1ccc(-c2nc(=O)o[nH]2)cc1)c1nc(-c2ccc(Cl)cc2)cs1"]
["131557255","CN(CCN(C)C1CC1)Cc1cccc([N+](=O)[O-])c1"]
["79118510","COC[C@H]1OC(=O)/C(=C\\N(C)Cc2ccccc2)C2=C(O)C(=O)C3=C(C(OC(C)=O)C[C@]4(C)C(=O)CCC34)[C@]21C"]
["150866929","C#CCOc1ccc(OC)cc1/C=N\\N=C(O)Cc1ccc2c(c1)OCO2"]
["138012370","CC1(C)Cc2cc(CN(CCC#N)Cc3ccco3)ccc2O1"]
["174152657","CO[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)[C@H]2O[C@@H]2C=C(C)C)[C@@]1(C)CC3"]
["76857914","[B+]1OC2COc3o[b+]oc3C2O1.[O-]CC1(O)OCC([O-])C(O)C1O"]
["62485885","NCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O"]
["MCULE-6041980384","O=C(N=c1ccc(-c2cc(F)cc(F)c2)n[nH]1)C1COc2ccccc2O1"]
["166072468","CCN(CC)C(=O)CN(C)C(=O)C1COc2ccccc2O1"]
["151825251","O=C(O)CC[C@H](NC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)C(=O)O"]
["196610374","O.O[C@H]1[C@H](O)COC(O)(c2ccccc2)[C@@H]1O"]
["27228363","Cc1ccc(-c2nc3ccccc3c(=O)n2NCC2(O)OCC(O)C(O)C2O)cc1.O=C(O)C(=O)O"]
["61041132","O[C@@H]1[C@H](O)CO[C@](O)(COCCCl)[C@H]1O"]
["75970700","CN[C@@H](CCCCNCC1(O)OCC(O)C(O)C1O)C(C)=O"]
["6834177","C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCC(C)=O)[C@@H]3C[C@H]12"]
["168464802","CC1(C)C2=C=C3[C-](C[C-]2C2O[B+]OC21)C(C)(C)C1O[B+]OC31"]
["104066362","CC(C)[C@H](C(=O)O)N(C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)N=O"]
["175683485","C=C([C-]=C=C=C([CH2+])[CH2+])[C-]=C=[C-][N+]1=CC(=C=C(P(=O)(O)O)P(=O)(O)O)N=N1"]
["74362208","O=P(O)(O)O.Sc1ncc[nH]1"]
["151904303","C=CC[C@@]1(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c2ccccc2Sc2ccc(Cl)cc21"]
["164511177","O=P(O)(O)CN(CP(=O)(O)O)c1nc2ccccc2[nH]1"]
["90719752","NC(C(=O)O)C(Cc1ccccc1)CP(=O)(O)O"]
["55706950","O=P(O)(O)Oc1ncc2ccccc2n1.O=[N+]([O-])c1ccco1"]
["32816957","O=P(O)(O)C(O)(C[n+]1cccc(Cl)c1)P(=O)(O)O"]
["79208676","CC([O])=C=O.[Fe].[c]1ccc[nH]1"]
["59909632","N#Cc1ccc(Cl)cc1NC(=O)c1c(Cl)cccc1Cl"]
["185503511","N#Cc1cccc(P(=O)(O)O)c1N"]
["MCULE-6691632147","Cc1cc(C(=O)N=c2nc(C)[nH]cc2C#N)cc(-c2cccc(CN3CCOCC3)c2)c1"]
["45360327","C=C(NNC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(Br)cc1"]
["166525770","C=C(P1[C@H](C)CC[C@H]1C)P1[C@H](C)CC(C2C[C@@H](C)P(B(N(C)C)P3[C@H](C)CC[C@H]3C)[C@@H]2C)[C@H]1C"]
["180113186","C=C(C)c1[nH]cc(C2O[C@H](CO)C[C@@H]2C)c1C"]
["84691976","C=C(C)CC(O)C1CCC(C)C1"]
["92392964","CC1CCCC(N(C)S(=O)(=O)c2ccc(C(N)=S)nc2)C1"]
["46772081","CC1CCC(NC(=O)c2ccc(C#CCN)cn2)CC1C"]
["137796122","CN(C(O)=Nc1cnn(-c2ncccn2)c1)C(C1CC1)C1CC1"]
["61107303","CC1CCC(C)N(C(C(O)=NN)C(C)C)C1"]
["59821614","C=CC(=O)N(C)C1CC2CCC1(C)C2(C)C"]
["107968376","C[C@H]1CC[C@H](C)N1[C@@H](C)C(O)=Nc1cnc(N(C)C)nc1"]
["60958300","CC(=O)N(C1CC1)C1(C(=O)O)CCC(C)C(C)C1"]
["CSSS06369010696","C=C(C)CCn1cc(S(=O)(=O)C2CC2)cn1"]
["108040638","CN(C[C@H]1CCCN1)c1nccc(Cl)n1"]
["144583755","C[Si](C)(Cl)O[Si]1(C)CCC([Si](C)(C)O[Si]2(C)C[Si](C)(O[Si](C)(C)C3[Si](C)(O[Si](C)(C)Cl)C[Si](C)(O[Si](C)(C)Cl)C[Si]3(C)O[Si](C)(C)Cl)C[Si](C)(O[Si](C)(C)C3[Si](C)(O[Si](C)(C)Cl)C[Si](C)(O[Si](C)(C)Cl)C[Si]3(C)O[Si](C)(C)Cl)C2)[Si](C)(O[Si](C)(C)Cl)C1"]
["142499814","Cc1nc(C)c(S(=O)(=O)NC2CCOC2c2ccc(Cl)cc2)s1"]
["145203292","NC(=O)c1cc(/C(N)=C2\\C(=O)N=CC=C2NC2CCOCC2)cs1"]
["197978499","O=C(c1ccc(-c2ccccc2)nn1)N1CCC(Oc2ccc(Cl)cc2)CC1"]
["9008582","O=C(OC1CCCCC1)c1nnsc1[S@](=O)c1ccc(Cl)cc1"]
["18599095","CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc(COc2cncc(Cl)c2)on1"]
["94348988","COc1c(O)ncnc1NC1C(N)C2CCCOC21"]
["126797515","Cn1cc(CC(=O)OCCC2CCCC2)cn1"]
["151837082","CC1=C2C(=O)C[C@H](c3ccc(Cl)cc3)CC2=N[C@@H]1C(=O)OC1CCCCCCC1"]
["174898359","CO[Si]1(OC)CCC(C)O[Si]1(OC)OC"]
["143371303","Cn1cc(CC(=O)OCC2CCCCO2)cn1"]
["157609308","CS(=O)(=O)N1CCC[C@@H](N=c2[nH]ccn3cnnc23)C1"]
["96959997","C[Si](C)(C)C(C1=C=C(C([Si](C)(C)C)[Si](C)(C)C)C=C(C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[CH]1)[Si](C)(C)C.C[Si](C)(C)C(C1=C[C+](C([Si](C)(C)C)[Si](C)(C)C)C(=[N-])C(C([Si](C)(C)C)[Si](C)(C)C)=C1)[Si](C)(C)C.[Sb]"]
["101224163","CC1=C[C+](C)C(=[P-])C(C)=C1.C[Si](C)(C)C([C]1C=C=CC(C([Si](C)(C)C)[Si](C)(C)C)=C1)[Si](C)(C)C.[Al]"]
["MCULE-9631973566","CCC(C)N=C(O)C1=C(N)Oc2c(c(C)nn2CC)C1c1cc(Cl)c(O)c(OC)c1"]
["97641272","Cc1cc(C)c([Si](O)(S)c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C)c1"]
["101078040","C[Si](C)(C)C(c1cc(C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c1[Te][Te]c1c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)cc1C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["MCULE-8886938758","Cc1ccc(CN2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)C3c3sccc3C)CC2)cc1"]
["MCULE-5523729231","COc1ccccc1C1C(C(=O)N2CCOCC2)=C(N)Oc2c1c(C)nn2Cc1ccc(C)cc1"]
["MCULE-5360989137","COc1cccc(C2C(C(=O)N3CCCCC3)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1"]
["MCULE-9767666881","CCOC(=O)N1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)C2c2cccc(C)c2)CC1"]
["MCULE-4276296227","CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(O)=NC(C)CC)C2c1ccc(Cl)cc1"]
["101141568","C[Si](C)(C)C(C1=C=C(C([Si](C)(C)C)[Si](C)(C)C)C=C(C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[CH]1)[Si](C)(C)C.[CH-]=C/C=C\\[C+]C(C)(C)C.[Sn]"]
["100945192","C[Si](C)(C)C(c1cc(C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c1/[SiH]=[SiH]/c1c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)cc1C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["100147099","N=C(O)C[C@@H]1N=C(O)N[C@H](CO)C(O)=NCCOCCOCC(O)=N[C@@H](CO)C(O)=NN=C1O"]
["22746654","O=C(CC1C(O)=NCCN1Cc1cccc(F)c1)N1CCOCC1"]
["69764431","CC1CC(O)=NC(CCCC(=O)O)N1"]
["MCULE-7236532956","CC(C)CC(C(O)=Nc1nc(N2CCOCC2)n[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["129798479","OC(CC1OCCc2ccccc21)=Nc1cccc2c1C(O)=NC2"]
["109184998","CN(c1ccc2c(c1)N=C(O)[C@@H]2N)C1CCOCC1"]
["107849907","COc1ccc2c(c1O)CCN[C@H]2C1CCOCC1"]
["158054912","N=C(O)C[C@@H]1COC(=O)C1"]
["42784728","CN(CC1CCOCC1)C(C)(C)C(=O)Cc1cc(C(C)(C)CO)no1"]
["81083972","CC(C)(N=C(O)CN1CCOCC1)C1N=C(O)C(O)C(C(O)=NCc2ccc(F)cc2)N1"]
["197593426","O=C(O)c1cccc2c1COCCN2C(=O)OCC1c2ccccc2-c2ccccc21"]
["163093184","Cc1cc([C@@H]2COCC(O)=N2)cc(C)c1N"]
["49449154","[2H][O+]=C1C=CC(=S(c2ccc(OCCOC=C)cc2)c2ccc(OCC[O+]([2H])C=C)cc2)C=C1"]
["27627788","CS(=O)(=O)CC[C@@H](C(O)=Nc1ccc(I)cc1F)N1C(=O)[C@@H](c2ccc(OCCO)cc2)N=C1O"]
["74016607","CCCCCCCOc1ccc(-c2cnc(-c3ccc(C=O)cc3)s2)cc1"]
["67938970","COCCCN1COCC(COc2ccc(Cl)cc2)OC1"]
["MCULE-5844161143","Cc1cc(=O)c(OCCOc2ccc(C(C)(C)C)cc2)cn1CCc1cnc[nH]1"]
["MCULE-8134108782","CCN(CCO)Cc1cc(=O)c(OCCOc2ccccc2)cn1CCOC"]
["6499764","CN(CC(O)=NC(C)(C)C)C(=O)CCOc1ccc(Cl)cc1"]
["124205495","CCCOc1ccc(OCCOc2cc(C)c(C)nn2)cc1"]
["83982570","CCc1ccc(N)cc1COc1ccc(I)cc1"]
["106057432","CC[C@@H](Br)C(=O)N(C)CCOc1ccc(F)cc1"]
["MCULE-5817900520","COc1ccc(OCCN2C(=O)C(NCc3cccnc3)=C(c3c(Cl)cccc3Cl)C2=O)cc1"]
["15093484","CCN(Cc1ccc(CN(C)C)cc1)C(=O)[NH2+]c1ccc(OCCOC)cc1"]
["150734632","c1cc2cc(-c3ccc4cc(-c5ccn6cnnc6c5)nn4n3)nn2cn1"]
["134328960","O=S(=O)(N=C(O)c1ccc2nncn2c1)c1cncc(Cl)c1"]
["178388457","CC(C)[C@@H](N)c1cc2nccn2nc1-c1ccccc1"]
["101812885","COc1ccncc1C(O)=Nc1cn2nc(-c3cn(C)nc3-c3ccc(F)cc3)ccc2n1"]
["167550433","Cc1cc(-c2nc3cc(F)c(N)cc3c(=N)[nH]2)ccc1Oc1cc2nncn2cn1"]
["101297983","N#Cc1ccn2nc(-c3ccc(Cl)cc3)cc2c1"]
["89375841","O=CCc1ccn2nccc2c1"]
["MCULE-7121943845","O=C(c1ccncc1F)N1CCC(CN=C(O)c2ccn3nccc3c2)CC1"]
["67259950","c1ccc(Sc2cccn3cnnc23)cc1"]
["147423882","O=C1CCC(=O)N1CC(O)=Nc1cccc(-c2ccc3nncn3n2)c1"]
["131453900","O=C(c1ccc2nn[nH]c2c1)N1CCCC1Cn1ccnc1"]
["11968622","OC(=NCc1ccccc1)Nc1ccc2nncn2c1"]
["110869945","F[B-]1(F)OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=CC(C2=[S+]/C(=C/C#C/C=C3\\C=CC(C4CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=[O+][B-](F)(F)O4)=[S+]3)C=C2)O1"]
["171564137","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(Br)ccc1Br"]
["84143357","O=C1C=CC(=NNc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)C=C1"]
["171273146","OC(C1=CC2C3OC3COCC3OC3C2(C(O)(C(F)(F)F)C(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F"]
["79377869","CCC(c1ccccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[Si](Cl)(Cl)Cl"]
["101115145","CCC1CC(=O)N(CCCCN=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=O"]
["23502281","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n(-c2ccccc2)n1"]
["79882239","CCCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3c(F)c(F)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c3F)CC2)CC1"]
["168171071","F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2"]
["79376390","CC(C)(c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)[Si](Cl)(Cl)Cl"]
["84009745","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2ccc(Br)cc2)cc1"]
["74147652","CC1(C)OC(=C(C#N)C#N)C(C#N)=C1C(=C1C=CNC=C1)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1"]
["75633048","O=C=NC1CC=CCC1C1=NC(C2CC=CCC2N=C=O)[N+](=O)C(C2CC=CCC2N=C=O)=N1"]
["153305495","O=C1[C@H]2CC=CC[C@H]2N1Cc1ccccc1"]
["88184411","C[C@@H](C(=O)O)N1C(=O)C2CC=CCC2C1=O"]
["151845390","O=C1N=C(O)[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(/C=C/c5ccccc5)[C@@H]34)[C@H]12"]
["179854568","Cc1ccc2c(c1)N(N)C1CC=CCC21"]
["149030353","N=C(O)[C@@H]1CC=CC[C@H]1N=C(O)c1sccc1Cl"]
["69797090","CC(OC(=O)C(C)N1C(=O)C2CC=CCC2C1=O)C(O)=NC1CCS(=O)(=O)C1"]
["104166120","Cc1cc(Cl)cc(N=C(O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1"]
["83626965","Cc1ccc(C)c(C(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O)c1"]
["194297986","O=C=NC1CC2[Se]C1CC2N=C=O.SCC(CS)[Se]C(CS)CS"]
["18970423","CC([O-])=Nc1ccc(NC(=O)c2cccc(N3N=C(O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1"]
["97510760","O=C1/C=C/C2C3CC=CCC2C3/C=C/1"]
["75729079","[c]1c(C2=NSC=CC=C2)c(C2=NOC=CC=C2)c(C2=NNC=CC=C2)on(N2CCCCCC2)n1N1CCSCC1"]
["143508083","c1c[nH]c(CNCC2(N3CCSCC3)CCCCC2)n1"]
["75476703","NC(=O)c1ccc(C2=NNC=CC=C2)cc1"]
["161841475","CC1=NSC=CC=C1"]
["182032681","FC(F)(F)c1ccc(C2=NOC=CC=C2)cc1"]
["175715377","c1ccc2c(c1)cnn2N1CCSCC1"]
["180560320","[NH2+]=c1[nH]c2c(sc(=O)n2CCN2CCN(c3cc(N4CCSCC4)c(F)cc3F)CC2)c2nc(-c3ccco3)nn12"]
["20414218","CCn1cc(S(=O)(=O)NCC2(N3CCSCC3)CCCCC2)c[nH+]1"]
["174747189","C1=CON=C(C2CCCCCC2)C=C1"]
["184685813","Fc1cnc2c(N3CCCc4ncccc43)nnc-2[nH]1"]
["27183218","C[C@](Sc1cnsn1)(N1CCSCC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"]
["156575773","C[C@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)N1CCSCC1"]
["182960565","N#[N+][N-][n+]1sc(-c2ncco2)c(-n2ccc[o+]2)c1-c1nccs1"]
["144338470","CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(-c2ncco2)cc1"]
["151665126","Cc1cc([C@@H]2CCCN2C(=O)c2cccc(-c3nccs3)c2)no1"]
["125792245","Cc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1-c1ncco1"]
["173837847","COc1ccccc1C(Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)O[C@@H]1COC[C@@H](OC)C1"]
["168428317","CC(=O)Oc1c(C(Br)CCNS(=O)O)oc(-c2nccs2)c1O"]
["192679176","Cn1nc(-c2nccs2)cc1-c1ccc(N)s1.Cn1nc(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.O=C(Cl)c1c(F)cccc1F"]
["29730163","OC(=Nc1ccc(F)c(F)c1)N(CCCN1CCCC1)[C@@H]1CC[C@@]2(c3cccc(-c4ncco4)c3)CC2C1"]
["92168140","NCc1cnc(-c2nccs2)s1"]
["134264312","CCOC(=O)CN(C(=O)c1cc(C)n(-c2nccs2)c1C)C1CC1"]
["17300606","CC[C@H](C)c1csc(N(C)C(=O)c2cc3c(nc4sccn43)s2)n1"]
["87522958","CCOC(=O)c1c(-c2ncco2)ccc(C)c1N"]
["97878811","O=C(O)C1(C(=O)O)C23C4=C5c6c7c8c9c%10c6C6%11C%12c%13c%14c%15c%16c(c%13-%10)C9%10C(C(=O)O)(C(=O)O)C%109c%10c-8c(c8c%13c%10-c%10c9c-%16c9c%16c%10C%10%17c%18c%19c%20c%21c(c%18-%16)C%16(c%18c-%14c%12c%12c(c%18-%21)C%14%18C(=C4c4c2c-8c(c-%19c4C%20%14C%18(C(=O)O)C(=O)O)C%13%10C%17(C(=O)O)C(=O)O)C%12C56C%11(C(=O)O)C(=O)O)C(C(=O)O)(C(=O)O)C%159%16)C713"]
["177167814","O=C(O)C1(Cl)C2(Cl)C=CC(Cl)(C2(Cl)Cl)C1(Cl)C1c2ccc(O)cc2Oc2cc(O)ccc21"]
["33759055","COC(=O)C1(C(=O)OC)C23c4c5c6c7c8c4-c4c9c%10c%11c%12c4C84C8(c%13cccnc%13-c%13ncccc%138)C48c4c-7c7c%13c%14c4-c4c8c-%12c8c%12c4C4%15c%16c-%12c%12c%17c%18c%16-c%16c%19c%20c(c-%13c%16C%144C%154c%13cccnc%13-c%13ncccc%134)C4(c%13c-5c2c2c(c%13-%20)C5(c%13c-2c(c-%10c(c%13-%17)C%122C(C(=O)OC)(C(=O)OC)C%1182)C913)C1(c2cccnc2-c2ncccc21)C%19%185)C(C(=O)OC)(C(=O)OC)C674"]
["154235309","O=C(O)C1(C(=O)O)[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c(c=5c2c2c5c%15c%16c%17c(c%18c4c7c4c%18c7c%17c%17c%18c%16c%16c5c(c2%14)c2c%13c5c%11c%11c%10c%10c8c4c4c7c%17c7c(c%104)c%11c4c5c2c%16c%18c47)[C@@]%1513)[C@]%121C(C(=O)O)(C(=O)O)[C@]691"]
["174270228","O=C(O)CC(F)(F)C(=O)N1N=C(C2=C(c3ccc(Cl)cc3)c3cscc3NC2)C[C@H]1c1ccc(Cl)cc1"]
["97651953","O=C(O)C1(C(=O)O)C23c4c5c6c7c8c4c4c2c2c9c%10c%11c%12c(c5c5c6c6c%13c%14c%15c%16c%17c(c8c8c4c4c2c2c9c9c%11c%11c%18c%12c5c%13c%18c5c%14c%12c%16c%13c%17c8c4c4c2c2c9c%11c5c%12c2c%134)C72C(C(=O)O)(C(=O)O)C6%152)C%1013"]
["33220859","CCOC(=O)C1(C(=O)OCC)C23c4c5c6c7c8c4-c4c9c%10c%11c%12c4C84[C@H]8c%13ccccc%13[C@H](c%13ccccc%138)C48c4c-7c7c%13c%14c4-c4c%15c%16c(c-%12c48)C%114C(C(=O)OCC)(C(=O)OCC)C48c4c-%10c(c%10c%11c4-c4c8c-%16c8c%12c4C4%16c%17c%18c(c-%13c(c%17-%12)C%14%12C(C(=O)OCC)(C(=O)OCC)C%158%12)C8(c%12c-5c2c-%10c(c%12-%18)C%114[C@H]2c4ccccc4[C@@H]%16c4ccccc42)C(C(=O)OCC)(C(=O)OCC)C678)C913"]
["186571047","Cc1cc(C)c(CN2CC(C)(C)c3ccccc3C2C(O)=NC(=O)C(=O)c2cccc(N)n2)c(C)c1"]
["42617208","[2H]C[C@]12O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@H](OC1(C)C)[C@@H]2OC"]
["42784770","O=C(O)C1(C(=O)O)C2c3ccc4c5c3-c3c6c7c8c9c3C53C(C(=O)O)(C(=O)O)C35C(=C4)Cc3cc4c(c-9c35)C83C(CC4)(CC7CC621)C3(C(=O)O)C(=O)O"]
["97283447","O=C(O)C1(C(=O)O)C23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c6c6c4c4c%16c%17c%18c(c%19c%20c2c5c8c2c%20c5c%19c8c%18c%18c%19c%17c%17c4c6c%15c4c%14c6c%12c%12c%14c%11c(c92)c5c%14c8c%18c%12c6c%19c4%17)C%1613)C71C(C(=O)O)(C(=O)O)C%10%131"]
["185767132","COC(=O)C1=C(CF)NC(CN)C(C(=O)O)(C(C)C)C1c1c(F)ccc(Cl)c1C(F)(F)F"]
["178772133","CC=[N+](C)c1ccc(C2=C[NH+](C)C(=[OH+])c3[n-]ccc32)c(OP)c1C"]
["17383945","CCCS(=O)(=O)N1CCC(C(=O)Oc2c(C)ccc([N+](=O)[O-])c2C)CC1"]
["MCULE-5217533426","Cc1ccc(-c2cncc(N=C(O)CCCC(=O)N3CCCC3)n2)c(F)c1"]
["MCULE-8291723095","COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OCCCOc3ccc(Cl)cc3)c2C)C1=O"]
["87079989","Cc1[nH]c(=NCC2CCCCC2C(=O)O)ccc1[N+](=O)[O-]"]
["179250507","CC=[N+](C)/C(=C\\C=C/C)c1ccccc1C"]
["MCULE-8216674715","COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1"]
["185631730","CCCCC(=O)Oc1ccc(C=CC(=O)OCC)cc1"]
["86422409","Cc1cc(Cl)cc(C)c1Oc1nc(NN)ccc1[N+](=O)[O-]"]
["34023330","CC(C)/N=C/c1ccc[n-]1.CC(C)/N=C/c1ccc[n-]1.[Cu+2]"]
["MCULE-4367748550","Cc1c(OC(=O)C(C)Oc2ccc(Cl)cc2Cl)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O"]
["12430011","Cc1cccc(/C=C2\\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)c1"]
["184602824","CI(C)CC[N+]1=CC2C=NOC2C=C1"]
["65229849","O=C1C=CC2C=NOC2C1=C1Nc2cccc(F)c2C1=O"]
["119289343","CC(=O)C1=CC=CC2C=C(C)N(C)C12"]
["108942461","CC(=O)C1=C[C@H]2C=C[C@@H](C1)OO2"]
["81575590","CNCCOC1C=CC=C2Oc3cn(C)c(=S)nc3N=C21"]
["148776089","CCOC1C=NON=C1"]
["MCULE-5259995493","COc1ccc(CCC(O)=Nc2nc3cc(-c4ccc(C(C)=O)s4)ccc3o2)cc1"]
["184347653","C=I[C@@]1(F)Oc2ccc(C[N+]3=C4C5CCC=CC5N=C(O)C43)cc2O1"]
["180653133","C=C(C)[C@H](C)C1ON=C[C@@H]1[C@@H](O)N(C)CCC"]
["15574228","C[C@H](O)[C@@H]1CCCC[NH+]1C[C@H](O)c1c(F)cccc1F"]
["135385447","CC(O)=NC(CC(=O)N1C(C)COCC1C)c1c(F)cccc1F"]
["179841274","CC(O)=NCCCI(C)C"]
["74661532","FC(F)(F)C12CC3CC(C(F)(F)F)(C1)CC(C14CC5(Br)CC(C(F)(F)F)(CC(C(F)(F)F)(C5)C1)C4)(C3)C2"]
["84149528","BrC(C12CC3CC(CC(C3)C1)C2)(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2"]
["150090526","O=CC(CO)(N1C(=O)c2ccccc2C1O)C12CC3CC(CC(C3)C1)C2"]
["33377796","O[C@@]1(C(F)(F)C(F)C(F)(F)F)C[C@H]2CC[C@@H]1C2"]
["145495089","CC(C)CC1CC1(C(C)C(F)(F)F)C(F)(F)F"]
["96952321","C[Se]C(O)=N[C@@]12C[C@@H]3C[C@@](C)(C[C@@](C)(C3)C1)C2"]
["46487726","CC(F)(F)C(C)(F)OC(C(F)(F)F)(C(F)(F)F)C12CC3CC(CC(C(OCCO)(C(F)(F)F)C(F)(F)F)(C3)C1)C2"]
["180040949","C=C(C1CCC(O)CC1(C)C)C(F)(F)F"]
["147991686","CC(C)(C)OC(=O)C1(N)C2CC3CC1CC(C(F)(F)F)(C3)C2"]
["171374331","CCC12CC3CC(Br)(C1)CC(OC=O)(C3)C2"]
["74358913","OC12CC3(C(F)(F)F)CC(C(F)(F)F)(C1)CC(C14CC5(O)CC(C(F)(F)F)(CC(C(F)(F)F)(C5)C1)C4)(C2)C3"]
["186906887","FC(F)(F)C12CC(CS)(C1)C2"]
["195786880","Fc1cc(C2=CC=C[NH2+]2)c[sH+]1"]
["MCULE-7583161498","CC(=O)c1cc(-c2c(F)cccc2F)ccc1N=C(O)c1ccco1"]
["120526140","CC(C)c1nc(-c2ccc(F)c(Br)c2)co1"]
["189981791","CC1NCCc2c(-c3cc(F)cc(F)c3)n[nH]c21"]
["174918625","C#N.Fc1cncc(F)c1"]
["91551140","FC1=CC=CC=[Si]1"]
["174784692","CC(C)(C(=O)O)N(c1ccc(Cl)cc1F)S(=O)(=O)O"]
["CSSS15033430444","CC(=O)CCC(=O)OC(C)C(=O)c1ccco1"]
["MCULE-8407803858","CC(=O)SCC(=O)N=c1cc(-c2ccc(F)cc2)o[nH]1"]
["85745106","CNC(c1cc(F)cc(F)c1)c1cscc1C"]
["3619315","O=C([O-])c1cc(F)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1"]
["200553473","CC(=O)SCCC#Cc1cc(F)cc(F)c1"]
["184728833","[B]C1([B+])CCC2=C1C(=N[C-]([NH-])O)C1=C(CCC1([B+])[O-])C2"]
["125922999","Cc1ccc(S(=O)(=O)N=C(O)C2(c3ccccc3C)CC2)cc1C"]
["151204323","O=C(O)C1(N=C(O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1"]
["178505265","Cc1ccccc1C1(C(O)=NC[C@@H]2CCc3ccc(C(=O)O)cc32)CC1"]
["167559390","C#CC1(SO)CCc2cc(-c3cc(C)c(O)c(C)c3)ccc21"]
["133958819","Cc1ccccc1C1(C(O)=NCC(C)(C)O)CC1"]
["67861175","OC(=Nc1nnc(-c2ccccc2)s1)C1(c2ccccc2)CC1"]
["175744019","CC(O)=N[C@@H](c1ccccc1)C1(O)CC1"]
["179806441","C1CCC2(C1)CCC1=C(CC2)C1"]
["33747993","[B]C1(C)[B+]C1([B+])N=C([O-])C1C=C=C(C(=O)O)[CH-]C1"]
["27441586","OC(=Nc1ccc2c(c1)ncn2-c1[nH+]ccs1)C1(c2ccccc2)CC1"]
["195164969","CC.CC.[B]C1(C)CCCC(N(C)C(C)=S)=C1C"]
["65313698","CC(CCSCC(C)CCCS)CCSCC(C)CCCSC(C)CCCCSCCC(C)(C)CSCC(C)(C)CCSC(C)(C)CCCSC(C)C(C)CCSC(C)CC(C)CSCC(C)C(C)C"]
["113605733","CC(CCN)SCCCCC(C)(C)C#N"]
["161961401","CC(C)C(CCCCSCN)C(F)(F)F"]
["114657606","CCC(N)(CO)CCCSCCC(C)C"]
["181823258","CC(C)CC(CC(C)SCCCC(F)(F)C(F)(F)F)C(=O)O"]
["166820912","CCCCC(C)(C)SCCC(=O)n1c(N(C)c2ccccc2)nc2cc(C(C)CCC)ccc21"]
["173879417","CCCCC(CCCCSCCCC(F)(F)C(F)(F)F)C(=O)O"]
["114648437","CCNC(C)(CCCSC(C)C(C)C)C(=O)O"]
["195359633","CC(OCCCCSCCCC(F)(F)C(F)(F)F)[C@](C)(CS)c1ccc(O)cc1"]
["164636855","CC(CCCSCSS)CC(C)(C)COC1CCC(C(C)C)C1"]
["182445436","CCC(C)(C)CSC(C(C)(C)C)C(SCC(C)C(C)C)(SC(C)CC(C)C)S#[N+]N=[N-]"]
["176436476","CC.CC.CCC(CC)(COC(CC)(CC)CCC(C)C)N=C(O)CCCCCSCC(C)C"]
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["184242870","CI=I[N-]I=I[N-]C(C)I=I[I+]N"]
["86074306","CCCC(C)N(C)C1CC(N)C1"]
["180312349","CC(N)/C=C/C(C)CC1CCC(N)CC1"]
["159201396","CC(C)c1nc([C@@H]2C[C@H]2C)c(N)s1"]
["157915908","COc1cc([C@@H](C)[C@H](C)N)sn1"]
["127161878","CC(C)CCOc1ccc(S(=O)(=O)N2CCCC(Cn3cncn3)C2)cc1"]
["84835109","CC(C)C1CCC2(CCNCC2C(C)C)CC1"]
["138578894","CC(C)OC(=O)CCN1CCC(Cn2cncn2)CC1"]
["149728244","CN1CCC(N)N(C)C1N"]
["179640753","CC(C)C1CC2C#CCC1C2"]
["162299887","CC(C)CN(C)C1=NC=NC(=O)C1N"]
["156644371","CC[C@H](C)[C@H](C)C(=N)S"]
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["85710861","CCCCCCCCCCNC(C)c1ccc(Br)s1"]
["61579042","CCCNC(Cc1cccc(C)n1)C(C)C"]
["54880298","CSCCCNC(C)C1CCN(C)CC1"]
["183867819","CC(NCCCO)c1ccc(N=[N+]=[N-])cc1"]
["62065604","CC(C)NCCCN1C(=O)C(C)(C(F)(F)F)N=C1O"]
["103319641","CCCCN[C@@H](C)CCC"]
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["119879261","CC(C)(C)C(CCO)NCCC(O)=NC1CC1"]
["94284159","CC(C)NCCCNC1(C)CCOC1"]
["66013618","CCCC[S+](CCCC)CCCC.[Br-]"]
["161814407","[O-][Cl+3]([O-])([O-])ON1CC=CNN1"]
["195590817","CN1C=CCN1Cl"]
["173089827","CN1C[CH]CNC1.[Al]"]
["179400955","COc1ncc(N)cc1N1C=CNN1"]
["174734954","C1CCCCC1.CN1C=CCN1"]
["47019830","CN1NC=C2C1=NC=NC[C@@H]2O"]
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["180217000","C1=CC2CC2CCN1"]
["73808633","Cc1cc(O[Cl+3]([O-])([O-])[O-])ccc1[S+](C)C"]
["172361624","O=C1CC(O[Cl+3]([O-])([O-])[O-])C(=O)N1Br"]
["73597350","[O-][Cl+3]([O-])([O-])ON1C(c2ccccc2)=C(N2CCOCC2)N[n+]2ccc3ccccc3c21"]
["161954698","ON1CC=Cc2cc[nH]c21"]
["171886077","[N-]=[C-]C12CCC(C[Cl+]N)(CC1)CC2"]
["166561961","Cl.N#CCC12CCC(N)(CC1)C2"]
["62428242","CN(C1CC1)C1(CN)CCS(=O)(=O)C1"]
["178018866","CCC12CCC(SC)(CC1)CC2"]
["200298554","COCC12CCC(CC=O)(CC1)C2"]
["27026766","NC1CCC(N)(CC2(N)CCC(N)CC2)CC1"]
["57980374","CCC12CCC(CN)(CC1)CC2"]
["159117424","CC[C@H](N)[C@@H]1CC12CC2"]
["145098368","NCC12CCC(c3ccncc3)(CC1)CC2"]
["145098471","NCCC12CCC(c3ccc(Cl)cc3)(CC1)CC2"]
["170915534","CCN(CC)CC12CCC(N)(CC1)CC2"]
["92832201","CC1CN(CC2(CN)CC2)CC(C)N1C"]
["175612415","Sc1nc(S)nc(S[n+]2ccc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc2)n1"]
["119392493","Clc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)o3)o2)cc1"]
["94354402","Clc1cc(Sc2nncs2)nc(-c2ccccc2)n1"]
["MCULE-9139412726","COc1cc(OC)cc(C(O)=Nc2ccc(-c3ccncc3)c(F)c2F)c1"]
["145097232","CCc1nc(O)nc(-c2ccncc2)c1C(=O)O"]
["106979635","C[C@H](N)Cc1cccc2[nH]c(-c3ccncc3)nc12"]
["137643777","OCC(C1CC1)N(Cc1ccccc1)C(O)=Nc1ccccc1-c1ccncc1"]
["MCULE-1934199811","Cc1c[nH]cc(-c2ccncc2)c1=NC(=O)c1ccoc1"]
["56403959","CN(CCOc1ccccc1)C(=O)CCc1nc(-c2ccncc2)no1"]
["182618787","N=C(O)N(c1cccc(N2CCC(=O)CC2)n1)c1csc(-c2ccncc2)n1"]
["145999676","Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(O)=N[C@H](C(=O)O)C(C)C"]
["146528351","CC(C)(N)CN=C(O)CSc1ccncc1"]
["179701529","[O-][CH-]C[S+]1CC[I+]C1"]
["51280733","C=CC[CH-][O-].[Mg+2]"]
["180229751","C[Br+]C(C[CH-][O-])C(C)C"]
["184358491","CO[C-]1C(C)[C@H](C)[I+]CC[N+]1(C)C[O-]"]
["167276977","CCC(O)C[S+]1CCCC1"]
["177160925","CCO/C([O-])=C/[S+]1CCCC1"]
["176084627","C[Cl+]C[CH-][O-]"]
["188287739","C(CCCCCC[S+]1CCCC1)CCCCC[S+]1CCCC1.[I-].[I-]"]
["179175755","[O-][CH-]C1C[I+]CCN1"]
["32180906","ClCC[S+]1CC1.[Cl-]"]
["99702153","O=S(=O)([O-])CCC[S+]1CCCC1.[H+]"]
["179389571","[O-][CH-]CC[C@@H]1CC(F)(F)C[I+]1"]
["45332825","CCC1(C)CCc2c(C)c(COPCOSOOO)c(C)c(C)c2O1"]
["150153707","CCC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(cc(C)c(Oc3cccc(C(=O)OC)c3)c2C)O1"]
["48652810","Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.O=C(O)c1cccnc1"]
["163480160","C=C1NC(=N)C=CN1C1OC(COP(=O)(O)Oc2c(C)c(C)c3c(c2C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O3)[C@H](O)C1(F)F"]
["97684886","CCOC(=O)C(C)[C@@H]1CC[C@@]2(C)CCCCCC(=O)[C@@H]12"]
["159695534","CCOC1CC(N(C)C(=O)c2noc3c2CCCC3)C12CCCCC2"]
["191250904","CCOC(=O)Cn1c(C)c(Cc2ccccc2S(=O)(=O)N2CCOCC2)c2c1CC(C)(C)CC2.Cc1c(Cc2ccccc2S(=O)(=O)N2CCOCC2)c2c(n1CC(=O)O)CC(C)(C)CC2"]
["171336915","COc1cc(OCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)ccc1NS(C)(=O)=O"]
["155665233","CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(F)c(Cl)c1)CC2=O"]
["170998767","Cc1oc(C2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)nc1C(O)COc1ccc(CC2SC(=O)N=C2O)cc1"]
["34506641","Cc1ccc(Cl)c2c1CCC(C)(CCCCl)O2"]
["155681633","CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(C)coc2-c2ccc3c(c21)CCC[C@]3(C)CO"]
["51139436","C1=CC(C2C=Cc3cccc4c3[C+]2C=C4)c2ccc3[cH-]ccc1c2-3"]
["173687790","C1=Cc2cccc3c2C(=CC1)CC=C3"]
["64065658","C1=CC(C2NCCCS2)c2ccccc21"]
["55082870","FC(F)(F)c1cccc(I=c2cc(C(F)(F)F)cc[cH-]2)c1"]
["96696951","N#C[C@@]12c3ccccc3C=C[C@@H]1[C@H]1[C@@H]2[C@@H]2C=C[C@H]1C2"]
["183591068","C#CC(CN=[N+]=[N-])C1C=Cc2ccccc21"]
["149933669","C1=CC(C2=C3C(=C(c4ccccc4)c4cc5ccccc5cc43)c3cc4ccccc4cc32)c2ccccc21"]
["183215283","N=C(O)c1cccc(C2C=Cc3ccccc32)c1S"]
["78192966","C1=CC(C2C=Cc3cccc4cccc2c34)c2cccc3cccc1c23"]
["183426947","[N-]=[N+]=NC1CCC(C2C=Cc3ccccc32)C1C1C=Cc2ccccc21"]
["179383335","C=Ic1ccc2c(c1)C=CC1CC21"]
["43169159","COCC1C=Cc2cccc(C(C)(C)C)c21"]
["62753009","CC12C3C4(C)C1(C)C1C2(C)C32C35C6C7C3(C38C9C%10(C)C%11(C)C9(C)C3(C)C%11(C)C%108C)C3C5C65C73C36C7C8(C)C9(C)C(C83C)C6(C79C)C36C7C8(C)C3(C)C3C8(C7(C)C356)C35C6C7(C)C8(C)C(C73C)C5(C68C)C35C6C7(C)C3(C)C3C5(C)C6(C)C37C142"]
["180763401","CC1C2C=C3C4C(C)C5(C)C(C)C(C)C46C34C2C1(C)C4(C)C56C"]
["197659509","CC(C)(C)OC(O)=NC1([C@@H]2[C@@H](N)C2(C)C)CCC1"]
["197656481","CC(C)(C)OC(O)=NC1(C2C(N)C2(C)C)CCC1"]
["179412238","CC1(C)C2(C)C(C)(C)C34C5CCC(CC5)C(C)(C2(C)C3(C)C)C14C"]
["84021584","CC12CC3C1(C)C1(C)C3(C)C21C"]
["179251764","CC12C3CCCCC3C1(C)C1(C)C2C2(C)C3C(C)(C21C)C1(C)C3(C)C2(C)C1(C)C1(C)C3(C)C(C)(C)C(C)(C)C3(C)C21C"]
["179674573","CC12C3CC4C5CC6CC7C8CC9C1C1%10C89C7(C)C1(C)C2(C)C65C43%10"]
["180323148","C[I-]C1(C)C(C)(C)C2(C)C3C45C1(C)C1(C)C6(C)C(C)(C)C7(C)C(C)(C)C(C)(C1(C)C4(C)[C@]3(C)C2(C)C)C765"]
["178565410","CC1C2C3C45C1C1(C)C(C)C67C(C)C(C)(C)C6(C)C6(C)C7C1(C4C)C6(C)C5(C)C3(C)C2(C)C"]
["42814746","C=CS(=O)(=O)/C=C/CCS(=O)(=O)C=C"]
["143598384","C=CCCS(=O)(=O)N(CCOC)Cc1ccccc1"]
["78969694","C=CCS(=O)(=O)[O-].C=CCS(=O)(=O)[O-].[Ca+2]"]
["78346874","[CH2]CCN(C)CCS(C)(=O)=O"]
["126233367","C=CCCS(=O)(=O)NC(C)c1ccc(C)c(F)c1"]
["164196351","C=CS(=O)(=O)CCC(O)=Nc1cccc2c(Cl)c(C)cnc12"]
["193128684","C=CS(=O)(=O)OC.O=S(=O)(Cl)CCCl"]
["173403742","C=CCC/C=C\\CC.CC"]
["79777617","C=CCS(=O)(=O)[O-].F.[K+]"]
["CSSS14831855428","C=CS(=O)(=O)N(Cc1cn(CC)nc1C1CC1)C(CC)C(C)C"]
["97562656","C=CS(=O)(=O)CCN(CC)CCNCCS(=O)(=O)CCNCCN(CC)CCS(=O)(=O)CCN(CC)CCN"]
["25491961","C=CS(=O)(=O)c1[c]cccc1"]
["173694089","[B]=S(#B)S[B+][B-]#B"]
["63926826","[B]=B[B+][B-]#B"]
["69552214","B#[B-][B]B=O.[Li+]"]
["174390166","B#[B-][B+]CC.[Mo]"]
["191879523","B#[B-][B+]C.CC"]
["173089341","B#[B-][B+]N.[H-].[Na+]"]
["174920150","B#[B-][B+]CC.CC(C)=O.[Ir]"]
["194425313","B#[B-]/C=C\\[B+]OC"]
["194425311","B#[B-]N=C[B+]C"]
["65936678","[B]=[B-]([B+])[B+][B-]#B"]
["161727856","B#[B-][B+]C([B+]C([B+])[Si-](C)C)[Si-](C)C"]
["161711543","[B]C(C)C(C)[B+][B-]#B.[B]C(C)C(C)[B+][B-]#B.[Fe]"]
["194782875","N1P=[NH+]P[NH+]=P1"]
["99582724","C/C=C/[Si-]=[O+]CCl"]
["161725794","C1PNS1"]
["120995396","NCCN=c1nn[nH]s1"]
["78522289","N1=PNP=NP1"]
["61775102","C=[O+]CCl"]
["171700622","CC=C[Si-]=[O+]CCl"]
["161821090","C1PNP1"]
["99787541","ClC[O+]=[As-]"]
["171949343","[Cu].[NH+]1=PP1"]
["173198706","c1cp[pH][nH+]1"]
["50105055","[Si-]=[O+]CCl"]
["161684749","FC(F)(F)P1(C(F)(F)F)=NP(C(F)(F)F)(C(F)(F)F)=[NH+]P(C(F)(F)F)(C(F)(F)F)=[NH+]1"]
["172786329","FC(F)(F)P1(F)=NP(F)(F)=NP(F)(F)=N1"]
["197389764","FC(F)(F)C(C1CNCCO1)C(F)(F)F"]
["173184916","FC(F)(F)c1c[nH+]ns1"]
["43734685","FC(F)(F)C1(I)N=NN=N1"]
["167259840","FC(F)(F)c1c[s+]ns1.F[As-](F)(F)(F)(F)F"]
["176051116","FC(F)(F)CN(CC(F)(F)F)P1(F)=NP(F)(F)=[NH+]P(F)(F)=N1"]
["29946892","OC(=Nc1ccnc(N=C(O)C2(C(F)(F)F)CC2)c1)c1c(Cl)cccc1Cl"]
["176169640","FC(F)(F)n1cc(C2CC(Br)CCO2)cn1"]
["101716779","FP1(F)=NP(F)(F)=[NH+]1"]
["162784086","Oc1cc(F)c(Br)c(OC(F)(F)F)n1"]
["163626180","Cn1c(S)nnc1-c1cccnc1C(F)(F)F"]
["99324535","CC(C)(C)NC(NC(C)(C)C)C(C)(N[Si])NC(C)(C)C"]
["65901674","C[C@H](CNC(C)(C)C)NC(O)=NC[C@@H](C)NC(C)(C)C"]
["174305987","CNC(C(C)=O)C(=O)C(C)(NC)NC"]
["167591311","CC(C)(C)NC(CC(=O)C(C)(C)C)C(C)(C)CC(C)(C)NC(=N)N"]
["162794387","CNC(COC)C(C)(F)F"]
["49854612","CCC(CC)(CC)CNCC(C)C"]
["121219351","CCC(C)(NCC(O)C(F)(F)F)C(=N)O"]
["15592640","COC(=O)[C@H](C)C(C)(C)C"]
["163023536","COC(=O)C(Cl)C(C)(C)OC"]
["99324650","CC(NC(C)(C)C)C(N)(NC(C)(C)C)NC(C)(C)C"]
["83225880","CC(C)(C)C(/[N+]([O-])=[N+](\\[O-])C(C(C)(C)C)C(C)(C)C)C(C)(C)C"]
["112536941","COC(CNCC(O)C(F)(F)F)OC"]
["50235938","Br[Si]1(Br)B([Si+]=[B-]2[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]2(Br)Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br"]
["61039307","Cl[Si]1(Cl)[Si](Br)(Br)B([Si](Br)(Br)B2[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]2(Br)Br)[Si](Br)(Br)[Si]1(Cl)Cl"]
["59198098","Br[Si](Br)(B1[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br)[B-]1=[Si+][Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br"]
["56249958","Br[Si](Br)(B1[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br)B1[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br"]
["51071095","Br[Si](Br)(B1[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br)B1[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br"]
["91622828","C1COB(C(B2OCCO2)=[B-]2OCCO2)O1.[Li+]"]
["90993996","CCCC(CC)(B1OCCO1)B1OCCO1"]
["96762584","CCCCCCCC/C=C/B1OCCO1"]
["193854732","C.CC1(C)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21"]
["45170806","CC(C)=CB1OCCO1"]
["195780973","CC(S)B1OCCO1"]
["13077","C=CCc1cc2c(cc1O)CCO2"]
["170757018","CC(C)(O)C1CCC(N)CO1.Cl"]
["175410660","OB1OCCO1.c1ccncc1"]
["91398012","C=C(B1OCCO1)[Si](C)(C)c1ccccc1"]
["97435101","C[Si](C)(C)C#CB1OCCO1"]
["171933102","N#CCCCB1OCCO1"]
["96588809","O=[S+]1(F)N=P(Cl)(Cl)N[S+](=O)(F)N1"]
["21998216","[NH3+]P1([NH3+])=NP(Cl)(Cl)=[N+]=P(Cl)(Cl)NP(Cl)(Cl)=N1"]
["96530759","O=[S+]1(c2ccccc2)N=P(Cl)(Cl)N[S+](=O)(c2ccccc2)N1"]
["46494135","C=NC(=O)c1nc(=N)[nH]cc1Cl"]
["185009751","ClN1PNP(Cl)(Cl)=N[P+]1(Cl)Cl"]
["163925077","O=c1cccc2[nH]cc(Cl)n12"]
["81782831","C=C(Br)CC1([C@@H](C)CC)C(O)=NC(=O)N=C1O.C=C(Br)CC1([C@H](C)CC)C(O)=NC(=O)N=C1O"]
["189284268","O=P1(Cl)OCC(F)O1"]
["65694126","FP1(F)=NP(F)(F)=NP(F)(Cl)=NP(F)(F)=N1"]
["34453031","O=C(CF)N1CC2CCC(C1)NC2"]
["73646124","COC1(F)N=CC=C2NC(S(=O)(=O)Cl)=NN21"]
["154333016","C[S+]1(=O)C[C@@H](C(=O)O)N=C(O)N1"]
["178442376","[NH-]C1CCC([C-]=NC2CCC3OC(C4CCC(N)CC4)=NC3C2)CC1.[U+2]"]
["177173332","CC1=NC2CC3OC(C)=NC3CC2O1"]
["169320489","OC(=NC1CC(c2ccc(Cl)c(Cl)c2)C1)c1ocnc1C1CC1"]
["148049819","COC(C)c1nc(=NC2CCC(N)CC2)s[nH]1"]
["88826578","NCC1CCC(c2nnc(-c3cncnc3)o2)CC1"]
["164290394","NC1CCC(c2nnc(O)c3ccccc23)CC1"]
["84627821","NC1CCC(N=C(O)c2cc(O)nc3ccccc23)CC1"]
["136513463","Cc1ccc(C(O)=NC2CCC(N)CC2)cc1S(C)(=O)=O"]
["146082680","COc1cc(C(O)=NC2CCC(N)CC2)cc(OC)c1Br"]
["107048067","Cc1nc2cc([C@@H]3CC[C@H](N)C3)ccc2n1C(C)C"]
["155454626","CCCCCOc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br"]
["186250238","N[C@H]1CC[C@@H](c2nc(C3(CN[C@@H]4C[C@H]4c4ccccc4)CCC3)no2)CC1"]
["79595259","[TeH]C1SC1CCC1C[Se]C[Se]C1CCC1SC1[TeH]"]
["149797615","CCC(CC)CC=CCCC1CC1CC"]
["61957612","SCC1CC[Se]CC1CS"]
["97630875","CCCCC1C[Se]CCC[C@@H]1Cl"]
["101257986","CCCCC1C[Se]CC(CCCC)SS1"]
["33259152","OC[C@@H]1[Se]C[C@@H](O)[C@@H](O)[C@@H]1O"]
["164468390","C1CCC[C@H]2SSS[C@@H]2CC1"]
["181121912","N#COCC1[Se]C[Se]C[Se]1"]
["79463152","[TeH]C(CC1C[Se]C(CC([TeH])CC2CS2)[Se]C1)CC1CS1"]
["33234929","OC[C@H]1[Se]C[C@H](O)[C@@H](O)[C@@H]1O"]
["42622752","C[C@@H]1SSS[C@@H](C)S1"]
["99835446","CC[C@@H]1CN(C=NC#N)C[C@H]1O"]
["59274357","c1c[nH]c(N2P(c3ncc[nH]3)N=P(c3ncc[nH]3)(c3ncc[nH]3)N(c3ncc[nH]3)P2c2ncc[nH]2)n1.c1c[nH]cn1"]
["123270830","FC(F)(F)c1ccnc(NCCNCc2ncc[nH]2)n1"]
["15365381","CC[C@H](C)N=c1[nH]cnc2c(C)[nH]nc12"]
["156157193","NS(=O)(=O)N1CCOC[C@@H]1c1ncc[nH]1"]
["163577110","CC(C)[C@H](N)c1ncc[nH]1.Cl.Cl"]
["175851918","C(#Cc1ncc[nH]1)CN1CCNCC1"]
["158073868","C[C@@H]1CC[C@@H](C)N1Cc1ncc[nH]1"]
["156327838","CC1CCN(c2ncc[nH]2)CC1C"]
["172720931","Br.c1c[nH]cn1.c1c[nH]cn1"]
["74024838","COS(=O)(=O)c1ccccc1O.c1c[nH]cn1"]
["157996802","C[C@]1(CN)CCN(c2ncc[nH]2)C1"]
["162447200","O=S(=O)(c1ncc[nH]1)N1CC=CCC1"]
["79405332","C=C[14CH2]/C=C(\\[14CH2]C=C)[14C](N)([C]=O)[14CH2]C=C"]
["79923759","C=CC(C)COC(=O)C(C)(/C=C/C)O[C]=O"]
["191468580","C=CC(=O)C=C.[Cl-]"]
["184530591","C=CCOC1CC(COC(=C=O)C=C)CC(OCC=C)C1"]
["73857477","C=CCOC(=O)C=CC=CC=CC1C(O)CC(O)C1CC=C=O"]
["159100081","C#CC[C@H](N)[C@@H](O)C=C"]
["190982667","C=CC(=O)[S-].C=CC(=O)[S-].[Sr+2]"]
["185468238","C=COCCC(C)(C)N=C=O"]
["157798432","C=CC(=O)[C@H]1CCOC[C@H]1C"]
["94885562","C=CCC(=O)CC(C)(C)N"]
["78104701","C=CCC[PH](=O)O.N=C=O"]
["66966315","C=CC(=O)[S-]"]
["42323283","[Se]=[Se]=[Se]=[Se]1C2C(=C3C=CN1C3)C=C1C3=CC=[N+](C3)[Se](=[Se])C1[Se]2=[Se]=[Se]"]
["180508850","CC1C2=C3C=C2CC1C3"]
["98734136","N=C1C=CC2=NNN3C=CC=C(C1)N23"]
["64828344","[B+]=C1C=NC(=[N+]2CCC(N(C)S(C)(=O)=O)[C-]2[O-])N=C1"]
["175340373","Cc1cc(-c2cccc(C3=CNCC=C3)c2)cc(-c2cccc(C3=CC=CN(C)C3)c2)c1"]
["155928378","C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2[nH]nnc2=N)N1"]
["172863613","C1=C[C-]=C2CC3CCCC3=CC=12.[Li+]"]
["102915521","C1=C\\C2=C(/C=C3C(=C/1)\\C1CC\\3C1)C1CC2C1"]
["179520292","CN1C/C(=C\\C2=CC=C(Cl)C(Cl)C2)C(=N)/C(=C/C2C=CC(Cl)=C(Cl)C2)C1"]
["82809847","CN1CC2=C(CC(N=C(O)C3(C)NCC3O)C=C2)CC1(C)C"]
["175937272","[2H]N1CCC2(COc3c2ccc2c3COC2=O)CC1C(C)(C)C"]
["149666485","C1=CC2=C(CC1)C1=CC=C3C4=CC=C5C6=C(C=CCC6)CC6CCC(=C7CCC(=C2)C1C37)C4C56"]
["74047106","C1CN1P1N=NN=PP1"]
["91478303","C1CN2N=NC1N=N2"]
["50121060","C1CSP(N2CC2)SC1"]
["91478286","C1=CN2CCC1C=N2"]
["26187451","C1CN2CCN3CCN(CCO1)P23"]
["170534472","C[Si](C)(C)N1[BH2-]CCCC1"]
["32580535","CN1CCN(C)c2c(Cl)nnc(Cl)c21"]
["68424138","CC(=O)N1CCCN(C(=O)N=C(O)CCCl)CC1"]
["91166328","C1CN([Si](N2CCC2)(N2CCC2)N2CCC2)C1"]
["48844424","ON1CCN=N1"]
["195357056","C[P+]1(N2CC2)N=NN=PP1"]
["192054177","CP1N=NNP(C)(C)(N2CC2)P1(C)(C)C"]
["190657421","[B]1C[B]C2[B]CCC3[B]C[B]C1B23"]
["180358388","CCC1[B]CCC1C"]
["86100857","NCC1(C(O)=NCC2CC2)CC1"]
["171859155","OC1CC[B]C2CCCCC12"]
["120975910","CC1(C)CN(C2CCCC2)CCC1CO"]
["158086014","C[C@@]1(CBr)CC[C@@H](c2ccoc2)O1"]
["92916551","CC1CCC(CN)(C(O)=NCCS(C)=O)CC1"]
["180475303","[B]1CCC23CCCC2C13"]
["109024139","C[C@@]1(CO)CC[C@@H](CO)[C@]1(C)CBr"]
["179807254","O=CC1CC2CC[B]C12"]
["174716795","FC1CCCSC1F"]
["180358387","CC[C@@H]1[B]CCC1C"]
["20464196","N=C1[N-]C(=N[C@H](O)C(Cl)(Cl)Cl)N[C@@H](C(Cl)(Cl)Cl)O1"]
["168149605","O=C1OC(C(O)CO)C(=NN=c2[nH]c3ccccc3[nH]c2=O)C1=NN=c1[nH]c2ccccc2[nH]c1=O"]
["158103334","N=c1[nH][nH]c(=N[C@@H]2COC[C@H]2O)[nH]1"]
["197253093","CCCC(N=C(O)[C@@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C)C(=O)O"]
["197196109","CC#CCC(N=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=NC(C)(COC)C(=O)O"]
["162994783","CC(O)C(C)N=c1nc(C2CC2)[nH]o1"]
["165521608","CC(O)CC(C)(C)CN=c1[nH]nc(Cl)cc1C(=N)O"]
["2083885","CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(O)=N[C@H](O)C(Cl)(Cl)Cl"]
["61991371","CC(CC1NC(C(Cl)(Cl)Cl)OC1=O)OP"]
["93299299","CC(O)CC(C)N=c1cc(C(F)(F)F)[nH]c(=N)[nH]1"]
["174562418","C=Cc1c(Cl)[nH]c(=N)[n-]c1=NC.[Rf]"]
["92409335","Cc1cc(=NC(C)CC(C)O)[nH]c(C)n1"]
["79220118","C1[C+]2C[C-]3C[C+]1C[C-](C2)C3"]
["78951168","C1C[C+]2CC[C-](C1)CC2"]
["181190710","C1[C-]2CC1C2.[I-].[Mg+2]"]
["97601549","CC1(Cl)COC(=O)C(Cl)(Cl)C1"]
["184667336","C1CC2C[C-]1C2.[Br-].[Mg+2]"]
["167256620","C1CC2C[C-]1C2.[Li+]"]
["78951218","C1C[C+]2CC[C-](C1)C2"]
["172938189","C1[C-]2CC1C2.[K+]"]
["91508889","C1[C+]2CC3C[C+]1CC(C2)C3"]
["75392958","C1[C+]2CC3C[C-]1CC(C2)O3"]
["79080449","[CH]1C2CC3CC1CC(C2)C3.[Zn]"]
["97514882","C1[C+]2C[C+]3C[C+]1C[C-](C2)C3"]
["34291941","[Cu+2].[N]N=[N-].c1nc[n-]n1"]
["175472038","N=[C-]O.[Re].c1c[n-]nn1"]
["97176336","[3H]c1[15n]c([3H])[15n]c([3H])[15n]1"]
["59774393","C[CH-]C.Cc1nc[n-]n1.[U+2]"]
["161694110","[N-]=[N+]=NC(=O)N=[N+]=[N-].[N]N=[N-].[Na+]"]
["181808145","[N]N=[N-].[O].[Sb+]"]
["181192304","[N-]=N[N+]#S1(C(F)(F)F)C=NCC1"]
["54570824","N#C[O-].c1ncncn1"]
["190166076","[N]N=[N-].[Na+].c1ccncc1"]
["91464336","CCCCN1C=C[NH+](C)C1C.[N]N=[N-]"]
["78284389","CC(=O)ON(CCN(OC(C)=O)OC(C)=O)OC(C)=O.[N]N=[N-].[Na+]"]
["44055634","P.[N]N=[N-].c1ccc(-c2ccccc2)cc1"]
["184943408","C[C+]([NH-])[N-]C=C=CC(C)C.[Rh]"]
["79035803","CCC#COC(=O)C(C)CC"]
["54767467","CSC1C/C=C\\C(C)(C)/C=C\\C1C(C)C"]
["103001196","C[C]=C[C@@H](C)O"]
["173025728","C=[C-]C(=C)C[I+]CC/C=C(\\O)[C+]([O-])[N-]C(C)C"]
["197320647","CCCC(C)c1oncc1C(=O)O"]
["174282695","CC(C)CN=C(O)CCN(C)C=O"]
["99208437","C/C(=C\\C(C)P(=O)=O)C(=O)O"]
["175475207","C/C(=C/C(=C\\C(C)C)[S+]1C(C)CCC1C)C(C)O"]
["178023941","CC(C)/C=C\\C(OC(C#N)C(N(C)C)N(C)C)=C(/N)C(C)C"]
["34404820","CCC(C)/C=C(\\CO)CCCBr"]
["162257482","CC=C(C)C=CC=C(C)C(C)O"]
["161693101","Br[As]1=C/C=C\\C=C/C=C\\[As]=1.Br[As]1=C/C=C\\C=C/C=C\\[As]=1.O"]
["175523046","[N-]=[N+]=C1B=C/C=C\\C=C/C=C\\1"]
["181945616","Br[C]1C=CC(=C2B=CC=CC=CC=C2)C=C1"]
["173928728","Nc1cc(C2=C/C=C\\C=C/C=C2)ccc1Br"]
["161693102","Br[As]1=C/C=C\\C=C/C=C\\[As]=1"]
["173354842","O.[B]1/C=C\\C=C/C=C\\C=C/1"]
["73914644","N#CC1(F)[CH]C=CC=C1"]
["161691720","C1=CC=C[As]=CC=C[As]C=C1"]
["173838072","O[As]1C=CC=CC=CC=C1"]
["172833646","C1=C/C=C\\C2=C\\C=C/C=C\\C=C/C2=C/C=C1"]
["161691765","C1=C\\C=C/[As]=C/C=C\\C=[As]\\C=C/1"]
["187653858","Nc1cc(C2=C/C=C\\C=C/C=C\\2)ccc1Br"]
["59164552","N=[N+]1PNPN(N)PNP1"]
["183845126","N=C1NN(N)C(N)(S)N1"]
["98185457","CC[N+]1=C=CN(N)N1"]
["25020418","CN1C=CN(N)N1"]
["25239116","[NH]N1CCN(N)CC1"]
["190706003","N=c1nc[nH][nH]1.Nn1cnnc1"]
["53043576","N=C1NC(=N)N(N)CC1N"]
["171453829","CC(C)(C)c1ccn2ccc(=N)[nH]c12"]
["91486440","Cl.NN1C=CN(N)N1"]
["195955762","N=c1[nH][n+]([O-])nn1N"]
["91438186","Br.CCN1C=CN(N)N1"]
["44067446","N=C1NN([O-])C(=N)NN1[O-]"]
["76013203","[NH][C+]1C(=[N+]N)C([OH2+])C(=[N+]N)C([OH2+])[C+]1[NH]"]
["93301131","Cc1ccc(C(=O)N2CC(CBr)OC(C)(C)C2)s1"]
["98183525","N=C1N=C2N(N)C=CN2CC1N"]
["53275079","Cc1cc(C(=N)O)cc2c1NS(=O)(=O)N2"]
["60332784","C=C1CC2C3=C(CS(=O)(=O)C3)C1C1=C2CS(=O)(=O)C1"]
["178104075","C=CC1=C2C(=[N+]=C)C12"]
["MCULE-7159244327","NCC1CCc2c(C3CCS(=O)C3)n[nH]c21"]
["53449355","C=C1C(=C)C2C(=C)CC1C1=C2CS(=O)(=O)C1"]
["30151342","Cc1cc2nccc(Sc3ccc(N)s3)c2cc1C(=N)O"]
["186668096","S=C1SC2[C+]=CC=[C-]C2[NH+]1B=[N+]1C(=[SH+])S[C-]2C=CC=C[C-]21"]
["184829863","CN1C=CN(C2=C=C3[B-]4=[N+]([C-]5C=CC=CC5=C5C=CC(N6C=C[N-][N-]6)=C=C45)C4[C-]=CC=[C+]C4=C3C=C2)C1.[Pt]"]
["184829882","CC1=CC(C)[N-]N1C1=C=C2[B-]3=[N+]([C-]4C=CC=CC4=C4C=CC(n5nc(C)cc5C)=C=C34)C3[C-]=CC=[C+]C3=C2C=C1.[Pd+2]"]
["180597814","CI=[N+]1[C-](O)C(C)(C)C2[C-]=CC=[C+]C21"]
["184829891","CN1C=CN(C2=C=C3[B-]4=[N+]([C-]5C=CC=CC5=C3C=C2)C2[C-]=CC=[C+]C2=C2C=CC(C3=CC=[C-]C[N-]3)=C=C42)C1.[Pt]"]
["122329774","CC(=O)N1CSCC1C(O)=NC(C)(C)c1cccc(Cl)c1F"]
["69538511","Cc1nc2cccc(=S)c-2c(N)[nH]1"]
["178686578","C1=CC=IC=1[C-]1C=CCS1"]
["184722236","C.C=C1C=C(c2ccc3c(c2)S[C-](C2CCNCC2)C=C3)[C-]=C(CC)C1=[N-].[Li+]"]
["76110706","[C-]#[N+]C1[C+]=CC=[C-]C1C"]
["186667968","CN1C(=O)[N+](=B[NH+]2C(=O)[NH+](C)C3[C-]=CC=[C+]C32)[C-]2C=CC=C[C-]21"]
["173178076","SB=[N+]1[C-]2C=CC=C[C-]2[N+](=BS)C2[C-]=CC=[C+]C21.c1cc(-c2ccncc2)ccn1"]
["199371573","N#[N+]Nc1nnc2nnc(=N[N+](=O)[O-])n-2[n-]1.[N-]=[N+]=Nc1nnc2nnc(N[N+](=O)[O-])n2n1"]
["183740348","N#Cc1ccc([N+](=O)[O-])c(N=[N+]=[N-])c1[N+](=O)[O-]"]
["111834912","N#Cc1nc(N=[N+]=[N-])ccc1[N+](=O)[O-]"]
["183835595","CCCCN1C(=O)C(C)(C)c2cc(N=[N+]=[N-])c([N+](=O)[O-])cc21"]
["162122241","[N-]=[N+]=Nc1cnccc1C(F)(F)F"]
["170677209","[N-]=[N+]=Nc1ncn(-c2cc(-n3cnc(N=[N+]=[N-])n3)nc(-n3cnc(N=[N+]=[N-])n3)n2)n1"]
["182710492","N#Cc1ccc2ccc(N=[N+]=[N-])n2n1"]
["181272283","CCOCc1cc(I)cc(-c2c(OC)nc(N=[N+]=[N-])nc2OC)c1[N+](=O)[O-]"]
["181419440","CC(C)(O)c1ccc(N=[N+]=[N-])nn1"]
["181451957","Cn1ncc2c(-c3cccn4nc(N=[N+]=[N-])nc34)cccc21"]
["181523201","N#CC1=CC([N+](=O)[O-])=S=C1N=[N+]=[N-]"]
["181470229","CC(C)(C)c1cc(N=[N+]=[N-])n(-c2ccc(OCCO)cc2)n1"]
["175920973","CC1=C[C+]2C=CC(=C3C=CC(c4cc5ccc(C)cc5cc4[Se-])=CC3=[Se])C=C2C=C1"]
["173558033","C=C(C)c1cc2cc(C)ccc2c(F)c1C"]
["125964637","COCCCOC1CCN(CC(O)COc2cc(C)ccc2Cl)CC1"]
["149843134","CC1=CC=C(C2(c3ccc(C)cc3)c3ccccc3-c3c(CC4(C)c5cc(-c6ccc7cc(C)ccc7c6)ccc5-c5c4c4ccccc4c4ccccc54)cc(-c4ccc5cc(C)ccc5c4)cc32)CC1C"]
["153049737","Cc1ccc2cnn(CCCN3CCCC3)c2c1"]
["120777891","Cc1ccc2cc(C(=O)C(O)CN)ccc2c1"]
["195779977","Cc1ccc(-c2cc(N)ccc2C[NH3+])c(N)c1"]
["113755222","Cc1ccc(CNCCc2ccc(Cl)cc2Cl)c(Cl)c1"]
["44475706","Cc1ccc2cc(/C(=C3/C=CC(=O)C(C=O)=C3)c3ccccc3C(=O)O)ccc2c1"]
["88990375","Cc1ccc2[nH]c(CCC(C)N)cc2c1"]
["96210124","Cc1ccc2oc(C(O)Cc3csc(C)n3)cc2c1"]
["88174356","Cc1ccc2[nH]c(C3CC(O)C(C(=O)O)CN3C)cc2c1"]
["196007516","[B+]C1CC2[N-][C-](C)SC2CC1[B+]C"]
["174524088","CCC12CC1c1c(N)nc(SCC3=CC4CC4O3)nc1S2"]
["151537024","CC(C)=C1[C@H]2[C@H]3[C@H]4[C@H]5[C@H]3[C@H]1[C@]13O[C@@]21[C@@H]4C[C@@H]53"]
["179105095","C[B+]C1CCC2[N-]B=BC2C1"]
["96593929","C[C@]1(O)[C@@H]2C[C@@H]3C[C@H]1S[C@H](C2)[C@]3(C)O"]
["56797887","CC1CC(C)CN(C/C=C/CN)C1"]
["178807731","C=[N+](C)C1C(C)CC2CC1CC(C)[NH+]2O"]
["178469704","CC1CC2SC3CC(C)SC3C2S1"]
["178282839","C[C-]1S[I]N[I]1"]
["159102969","CO[C@@H]1C[C@H]1c1cc(=N)[nH]o1"]
["178497100","[B+]C1CC(N([O])[O-])CC(C)C1N"]
["178890988","C[I+]CC1CS[C-](C)[N-]1"]
["198159104","CCC1=C(CC)N(SC)CN1/C=C1/C=CC=C[N-]1.CCC1=C(CC)N(SC)[C-]=CN1/C=C1/[C-]=CC=C[N-]1.[Fe+4]"]
["77512954","CCOc1ccc(CN2CCN(CC3=CC(=O)C4C=CC=CC4=N3)CC2CCO)cc1"]
["180167424","C=C(C)/C(C(O)=NCC1CC(CCC)(CCC)C1)=C1/C=CC=CN1C"]
["115045029","CCc1ncnc(N2CCCC2CNC(C)(C)C)c1F"]
["179883131","C=C=C1[C-]=CC=C(S[C@@H](C)CC2=C(CC)CN(C(=O)C[C@H](C)[O-])C2)C1.[U+2]"]
["149043148","CCc1c(C)/c(=C/NC2CCN(Cc3ccccc3)CC2)[nH]/c1=C1/C=CC=N1"]
["57546058","C(=CC1[C-]=CC=CC1)=C1C=CC(=C2C=CC=C[N-]2)C1.[Y]"]
["99527022","C1=C[N-]C(=CC2C=Cc3ccccc32)C=C1.[Cr]"]
["178524535","CC1=CC(C(F)(F)F)=CC(=CC[C@@H]2C[C@H]3[I+][C@H]3CN2C(=O)C2N=C(C)C=CC2=C2N=CC=C[N-]2)[N-]1"]
["195441174","CCC1=C(C(C)C)I=C2[C-]=NCN21"]
["186472339","C/C=C\\SC(C1=NCC(C(=N)/C=C\\CC(C)F)=C(CC)N1CCOCCO)C(C)CC"]
["102657042","CCc1ncnc(N2CCC[C@H]3C(O)=NC[C@H]32)c1F"]
["172606891","C1=CC2=NC(=S3C=CC4=NC(=C5Cn6nccc6N5)CN43)CN2O1"]
["177720510","COc1ccccc1Cn1nc(C)nc1C1CCn2nccc2C1"]
["168356559","O=C(O)C1CCn2nccc2N1"]
["6660179","Cc1ccc(C)c(S(=O)(=O)N2CCCn3nccc32)c1"]
["184748654","O/N=C/C1=CCn2nccc2N1"]
["161547587","CN=C(O)ON1CCC(c2nc(C)nc3c[nH]c4nccc-4c23)C1"]
["198071442","C=C(F)C(=O)N1Cc2ccnn2C[C@H]1C(C)C"]
["171708520","Cl.c1cc2n(n1)CCNN2"]
["172223653","CC(=O)OC(=O)C1=CNc2ccnn2C1"]
["172709744","c1cnc2c(c1)Oc1ccnn1CC2"]
["23208190","CN(C)c1ncccc1CNCC1CNc2ccnn2C1"]
["23408011","Fc1ccc(C2(CNCC3CNc4ccnn4C3)CC2)cc1"]
["90856005","CC1CC(C)N2N=C3N4NC(C)C(C)NC4NN3C2N1"]
["83439956","CC1NN(c2ccc(Cl)cc2)C2NC(CCl)CC(=O)C12"]
["156493357","C[C@@H]1C[C@H]([C@@H]2CCCOC2)[C@H](C)N1"]
["165788195","CC1CN=C(NC2CSC(C)C2)N1"]
["161064105","CC1NCCCC1C(O)=Nc1cncnc1N1CCCC1"]
["196605029","C[C@H]1COC2c3cccn3CC(=O)N21"]
["101160990","CC1CC(O)N=C2Nc3c(ncn3[C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N21"]
["141568621","CC1CN(C(=O)c2ncccc2OCc2ccncc2)CC(C)N1.Cl.Cl"]
["159188800","C[C@@H]1C[C@]2(CN1C)NN=C(O)[C@@H]2C"]
["93826574","CC(C)CC(N)c1cncn1C1CCC(C)C1"]
["160388980","CC1CC(C)N1C(=O)c1ccncn1"]
["170767581","CN1C=C2C(=CN=[N+]2C)CC1"]
["196007584","Cc1oc2c(C)c(CCc3sc4c(C)c(CCc5[te]c6c(C)c(C)[te]c6c5C)sc4c3C)oc2c1C"]
["MCULE-5521299135","Cc1oc2c(C)c3oc(=O)c(CC(O)=Nc4cc(Cl)c(Cl)cc4Cl)c(C)c3cc2c1C"]
["163080386","Cc1oc2c(O)c(C#N)ccc2c1C"]
["50152117","CCn1c(SCC(O)=Nc2cc(C)ccc2C)nnc1-c1csc(C)c1C"]
["67457676","CCCNC(CC)c1nnc(-c2ccoc2C)o1"]
["27643916","CCOC(=O)c1cc(N=C(O)c2c(Cl)cccc2Cl)c2oc(C)c(C)c2c1"]
["MCULE-5247640386","CC(C)n1nccc1-c1cncnc1N=C(O)CCc1cccnc1"]
["107237206","CC[C@H](C)n1c(S)nnc1-c1c(COC)oc(C)c1C"]
["141861442","Cc1ncc(C=CC(O)=Nc2ncnc3oc(C)c(C)c23)s1"]
["50760707","COc1c(/C(C)=C/C(O)=Nc2cc(C)cc(C)c2)cc2c(C)c(C)oc2c1C"]
["179085984","CCCC(=O)CCc1c(C)oc2c(C=O)c(O)c(C)cc2c1=O"]
["163074242","CCC(N)c1cc(-c2cnc(C)o2)ns1"]
["156355462","Cc1cc(C)c([OH+]CC[NH+](C)CC[N-][CH+][O-])c(C)c1C#[N+][O-]"]
["MCULE-1738195024","CNCCC1CNc2c1ccc(Cl)c2C"]
["98440817","CCc1c(C)nc(C)c(CC)c1CC.Cc1cc(C)c(C)nc1C.Cc1nc(C)c(C)c(C)c1C"]
["27970500","Cc1ccc(OCCNc2c(C)c(C)nc3ncnn23)c(C)c1"]
["195097120","Cc1cc2c(c(C)c1CCON([O-])O)CC(C)(C)C2O"]
["14115160","CCCCN(CC)c1cc(Oc2ccccc2C)ncn1"]
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["73967948","Clc1n[c]on1"]
["25896218","Cc1onc(C=O)c1Cl"]
["26399042","ClC1=C=NO[N]1"]
["175025513","ClC1=NC2=C(Cl)N(Cl)C(Cl)(Cl)N(Cl)C2=N1"]
["184115553","O=C(O)C1=C=[N+]=CC=N1"]
["75110574","NC(=O)c1n[c]on1"]
["173981813","[B]=c1c(=[B])c(=[B])c(=[B-]=c2c(=[B])c(=[B])c(=[B])c(=[B])c2=[B+])c(=[B])c1=[B]"]
["174119245","[B]=C1C(=[B])[C-](C)NC1=[B+]"]
["50034820","[B]=c1c(=[B])c(=[B])c(=[B])c(=[B])c1=[B]"]
["173811293","[B]=c1c(=[B])c(=[B])c(=[B-](O)O)c(=[B+])c1=[B]"]
["174772883","[B+]=c1c(C)c(O)c(O)c(O)c1=C=[N-]"]
["175671066","[B]=c1c(=[B+])c(=[B+])n2[c-]([O-])n3c(=[B+])c(=[B+])c(=[B])c(=[B+])[c-]3[c-]2c1=[B+]"]
["199303055","[B]=c1cc(F)c(=c2cc(F)c(=[B-]=c3ccc(=c4cc(F)c(C#N)c(F)c4=[B+])c(F)c3)c(F)c2)c(F)c1"]
["173977776","[B+]=c1c(O)c(O)c(=[B+])c([C-]=[N-])c1O"]
["52106086","[B]Cc1cnc(C)c(=[B+])c1=C[O-]"]
["173751519","[B]=c1c(=[B+])c(=[B-]=C2CC=C=C[C-]2I)n(C)c1=[B+]"]
["181051603","[N-]=[N+]=NC1=C(C(O)O)CCCC1"]
["173842743","[B]=c1ccc(=[B-]=c2ccc(=[B+])cc2)cc1"]
["162040867","ClC1=[C-][N+]2=BN3CC(Cl)=[C-][N+]3=BN2C1"]
["162472042","Clc1sccc1C1NCCS1"]
["92165678","CC(C)C1CCN(Cc2ccc(Cl)nn2)C1"]
["103829219","C[C@H]1CNC[C@H](C)N1c1ccc(Cl)cc1"]
["45652791","CC1CNC[C@H]2Cc3c(Cl)cccc3N12.Cl"]
["82325243","CC1CNCC2Cc3c(Cl)ccc(F)c3N12.Cl"]
["166312783","O=C1N=C(O)CN1N=C(O)c1cc(Cl)sc1Cl"]
["175149767","Clc1sccc1N1CCOCC1"]
["195283448","CN1C=C(Cl)CN(Cl)N1"]
["45332421","Cc1cc(Cl)c2c(c1)C[C@H]1CNCC(C)N21"]
["168447194","CCc1c(C)c2n(c1C)[B]n1c(C)c(CC)c(C)c1C2"]
["162779110","Cn1cc(CNc2ccsc2Cl)cn1"]
["168488794","C1CN2CC[Si+]C([Si]1)[Si-]CC2"]
["115212655","OCc1cccc(F)c1N1CCCC1CO"]
["168609281","ClC1[Si]C[Si-]C[Si+]1"]
["42483727","CN1CCN2CCN(C)P1(=NN=NC1CC(N=NN=P34N(C)CCN(CCN3C)CCN4C)CC(N=NN=P34N(C)CCN(CCN3C)CCN4C)C1)N(C)CC2"]
["97225642","C=C[C@H]1CN2CC[C@]1(C(=O)OCC)C(=O)C2"]
["179210343","N=C(O)CC[N+]12CCN(CC1)CC2"]
["169994660","O=C1[C@H](S)CCN1OC(F)F"]
["78388458","O=C1/C(=C/C2CCN(Cc3ccc(Cl)cc3)CC2)Cc2cc(CO)c(CO)cc21"]
["110824250","CCN1CC[C@@H](C#N)C(=O)C1=O"]
["101127933","[SiH3]P1CCN2CCP([SiH3])B1P([SiH3])CC2"]
["54485756","C1CP2CCN1C2"]
["181611237","O=C1OCC(ON2CCCCC2)N1ON1CCCC1"]
["69651464","C[Si]1CCCC[O+]=[Si]=[Si]([O-])[Si](=O)[Si]1=O"]
["63229163","C[Si]1(C)CCCC[O+]=[Si]=[Si]1[O-]"]
["110898674","CC(N=O)=C(C)NN1CN(NC(C)=C(C)N=O)CN(NC(C)=C(C)N=O)C1"]
["163978527","CSCC(=O)N(C)CC1CC(=O)N(C2CCCC2)C1"]
["56791983","C[Si]1CNC[Si-]=[O+]1"]
["24132725","O=c1n(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4ccc(-n5c(=O)n6n(c5=O)CCC6)cc4)CC3)cc2)c(=O)n2n1CCC2"]
["64177722","C[Si]1(C)CCCC[O+]=[Si]=[O+][Si-](C)(C)=[Si]([O-])O1"]
["67493737","CCO[Si](OCC)OCC.C[Si]1CCCCO1"]
["62908040","CC(C)C1=C(C(C)C)C(=O)CCC1"]
["99440356","C/C(=C\\C[Si-]1(C)=[Si]=[O+]CCC1)C(=O)O"]
["51336193","C[Si]1CCCCO[Si](C)(C)[O+]=[Si]=[Si]([O-])O1"]
["57445579","C[Si]1=[Si]OCCC1"]
["180164925","IC1=CNC=CNC=CN1"]
["174940898","C#C.CC.COC1=CNC(=N)C(C)CC1"]
["79030444","NC1=C[N]C=CN1"]
["75476847","N[C]1NC=CS1"]
["180004167","CS1=CNC=C1"]
["183553196","COC1=CC=CNC=C1OC"]
["162920118","CC1C(=S)C2=CNC=CN2C1=S"]
["74777576","C1=CNc2nnnnc2N1"]
["164609752","FC1=CC=C2C=C(I)NC2N1"]
["180927834","Cc1cc2c(cc1C)SC=CN2"]
["69478982","C1=N/C=C/N/C=C(c2ccccc2)\\C=N\\C=C\\NC=C1c1ccccc1"]
["165196592","COc1c[nH]cc(I)c1=O"]
["194114990","Clc1ccc2ncnc(Cl)c2n1.O=S(Cl)Cl.Oc1ncnc2ccc(Cl)nc12"]
["155207469","O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3c1ncc2c(Cl)nccn12"]
["182517227","COc1cc(N)c(-c2ccc(Cl)nc2Cl)c(Br)n1"]
["MCULE-5234670468","OCC1C(c2c(Cl)ncnc2Cl)C1(F)F"]
["59095585","O=S(O)c1cccc2cncc(F)c12"]
["94533526","Cc1nn(-c2ncnc(O)c2Cl)c(C)c1Cl"]
["141277528","O=C(CCCc1cccc(C(F)(F)F)c1)Nc1cc2c(O)ncnc2cc1F"]
["13677589","O=C(c1ccc(Cl)nc1)N1CCC(n2c(=O)oc3ccc(F)cc32)CC1"]
["55904837","CC(C)(C)c1ccc(/C=C/C(O)=Nc2ccc3c(O)ncnc3c2)cc1"]
["57819512","CCCCN(c1ncnc(Cl)c1C(C)C)C(C)CC"]
["165839769","CC1(C)OB(c2nc(Cl)ccc2S(C)(=O)=O)OC1(C)C"]
["164479240","C=C(C(=O)O)n1cnc2c(Cl)ncnc21"]
["174047096","[B+]=[O+]PC([C-]=[C-]O)([CH-][CH-]C)[O+]=[B+]"]
["148835451","CCOC(=O)c1cc(CC(C)C)nc(C)n1"]
["43275602","COCc1nc(C)nc(O)c1Br"]
["78119642","C[CH-]C(F)(F)C(F)(F)C(F)=[F+]"]
["174941230","[B+]=[O+]C(C)[C-]=[C-]C"]
["172923507","[B+]=[O+]/N=C(/C[C-](C)[O-])C(=O)[CH-]C.[CH3-].[Y]"]
["172284539","CC(C)(PC(O)O)PC(O)O"]
["46418892","[B+]=[O+][CH-][CH-]C"]
["55670449","CC(C)(C)C(O)N1CCN(C(O)C(C)(C)C)C1=O"]
["100299328","[B+]=[O+]C(=[CH-])[C-](C)C"]
["103997685","CN(C)C[C@H]1CCC[C@@H](CN(C)C)C1O"]
["173635708","[B+]=[O+]C[N-]C(Cc1cnc[n-]1)C(O)C(OC)OC"]
["181909453","C[SiH](C)OC(O[Si](C)(C)C)[Si](C)(ON=[N+]=[N-])O[SiH](C)C"]
["158025445","C[C@]1([C@@H](C#N)O[Si](C)(C)C)CCCS1"]
["183314922","[N-]=[N+]=NOC(O)=NC1(C(F)F)CC1"]
["182651700","CCCC(I)CC(C)N=[N+]=[N-]"]
["181655356","CC(NCCN=[N+]=[N-])C(=O)OCCS(C)(=O)=O"]
["182639956","CCCCC(ON=[N+]=[N-])OC(C)=O"]
["183179437","CC(C)CCOCC(C)N=[N+]=[N-]"]
["182978791","C[Si](C)(C)C#Cc1cccc(N=[N+]=[N-])n1"]
["172679145","CC(C)CCOc1ccc(N=[N+]=[N-])cc1C#N"]
["181650553","C=COC(=CCOC(C)(C)C)ON=[N+]=[N-]"]
["183849911","CC(N=[N+]=[N-])c1ccc(O)o1"]
["183294269","C=CC(C=C)CON=[N+]=[N-]"]
["172801094","S=C=NCC1CC(N=C=S)[S+](CN=C=S)C1N=C=S"]
["180027290","NC1CCC(N=C=S)CC1[N+](=O)[O-]"]
["179180760","OC1CCC(C2CCC(N=C=S)CC2)C(F)C1"]
["75463176","S=C=NC1NSc2ccccc21"]
["181812649","[N-]=[N+]=NC1CC(N=C=S)C1"]
["46725266","Cn1ccnc1CN=C=S"]
["192082427","CCN=C=S.S"]
["187600913","FC1=CC(Br)C1N=C=S"]
["111526387","CCOC1CC(CC(=O)N=C=S)C1"]
["152008618","CC1(C)[C@H]2CC[C@@H](CON=C([N+](=O)[O-])[N+](=O)[O-])[C@@H]1C2"]
["42222588","CN1C[C@H](CN=C=S)OC1=O"]
["34258868","C=C(C)C1CCC(C)CC1CC(O)=NC"]
["174273539","OC1=C(O)N(O)N(O)N(O)C1O"]
["33543633","COc1cc2c(O)c(c1)Cc1cc(C)cc(c1O)CN1CCOCCOCCN(CCOCCOCC1)Cc1cc(C)cc(c1O)C2"]
["109093571","CCCCN1C(=O)N=C(O)C(=C2C[C@@H](c3ccc(C)s3)NN2)C1=O"]
["179037943","NCC12C(=C(O)C1O)COC2CO"]
["34186225","O=C([O-])Cc1nc(O)c(Cl)c(N2CCOCC2)n1.[Na+]"]
["180150051","CCC1=C(C(C)(C)C)CN2C[C@@H](O)C[C@H]2C(O)=N1"]
["138811028","Cn1ccc(=NC(=O)C(=O)NC2CC(O)C2(C)C)[nH]1"]
["97386227","O=C(O)C1C(O)=C1O"]
["75960380","C=C1CC(O)CC(=C)N1O"]
["66142840","C=C1CC(O)=C(O)C(O)C1"]
["183372221","OC1=CCN(O)N1O"]
["180962582","OCC1=C(O)C(O)C(O)=N1"]
["195911067","CN1NN=NC2=C1Cc1nc(-c3nnc4c(n3)C(C)(C)c3nnnnc3-4)nnc12"]
["106786748","C[C@@H]1CCCCN1c1nc2c(c(=N)[nH]1)C(=O)CC(C)(C)C2"]
["194019486","CC(F)(F)[C@@H](O)c1nc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n[nH]1"]
["198204535","Cc1ncc2c(c1-c1noc(C3(c4cccs4)CC3(C)C)n1)CCNC2.Cl.Cl"]
["53665209","COc1ccc(-c2nnc(-c3cccs3)nc2OC2CCN(C)CC2)cc1"]
["44853257","CCCCC1=C(CCCC)N(CCCC)NN=N1"]
["163834822","CN1CCC(C)(c2nc(-c3cccc(Br)c3)no2)C1=O"]
["74709087","CC(=O)C1(CC2=Cc3cccc(C)c3C2)C(=O)CC(C)(C)C1(C)C"]
["159198840","CC1(C)C[C@@]1(C)Nc1nc(=N)[nH]s1"]
["89042478","NCCN1NN=N/C1=C1\\C=Nc2ccccc21"]
["54422543","CC1CN(c2nnc(O)nc2O)C(C)CN1"]
["162902384","CC1(Nc2cccc(Br)n2)CC=CCC1"]
["91623117","IC12C3C4C1C1C2C3C41COSSOCC12C3C4C1C1C2C3C41I"]
["175958504","CSOCC12CC(C1)C2"]
["97130481","IC12CC(C34C5C6C3C3C4C5C63I)(C1)C2"]
["32438586","I[C@]12[C@@H]3[C@@H]4[C@@H]1[C@@H]1[C@H]2[C@@H]3C41[C@]12[C@@H]3[C@@H]4[C@@H]1[C@@H]1[C@H]2[C@@H]3[C@]41I"]
["178779334","CC(O)=NCC1CC(F)(I)C1"]
["195239139","CC12C3C4C5C(C1C53CO)C42N.Cl"]
["167213273","CC(C)(C)OSSSSSSOC(C)(C)C"]
["110787139","CC(=O)OCC12C3[C@H]4C5CC([C@H]41)[C@H]2[C@@H]53"]
["110787135","CC(=O)OCC12C3[C@H]4C5CC([C@H]41)[C@H]2[C@H]53"]
["164492646","COCC12C3C4C1C1C2C3C41CCCCBr"]
["195557010","COC1COC(CI)=C1C"]
["32253337","IC12[C]3[C@H]4[C@H]5[CH-][C@@H]([C@H]34)[C@@H]1[C@@H]52.[Li+]"]
["79837062","[CH2-]C([CH2-])[Si-]1(C(C)C)=C=CC=[C+]1.[Li+].[Li+]"]
["86876822","CCC(Br)C(O)=N[C@@H](C)c1cccc(F)c1"]
["57122649","[CH2-]N(C)CC(C)C"]
["178704855","CC(C)C1=CC(=[Cl+])N=C=C1"]
["84146713","[CH2-]C(C)CN(C)C.[Li+]"]
["66853880","CC(O)C(O)C(c1ccccc1)C(C)O"]
["179023066","CC(C)N1CCC(C2=CC=C=C=C2)C(N)C1"]
["65366194","CC(O)C[O-].Nc1[c]cccc1.[Hg+]"]
["25883703","Cc1ccc(C)n1C(C)C(C)O"]
["75620309","CC(C)P(C1=CC=C=C[CH]1)C(C)C"]
["149574100","CC(C)C1=C(C(C)S)C=C=NC=C1"]
["99173849","CC(I)C1=CC=C=C[CH]1"]
["195546819","C=Cc1c(O)c(O)c2c(I)c(I)c(C3=C(I)C(I=C)C(c4c5c6c(c7c(C)c(O)c(-c8c(O)c(O)c(O)c9c(O)c(C)c(O)c(O)c89)c(C)c47)C4=C7C(=C=C([O-])C(O)=C7C6C(O)C(O)=C5C)C(O)C(I5CC5)=C4I)C(C)=C3C)c(C)c2c1C.[U]"]
["97271834","CCCCCC/N=C/c1c(O)c(O)cc2c(C(C)C)c(C)c(-c3c(C)c(C(C)C)c4cc(O)c(O)c(/C=N/CCCCCC)c4c3O)c(O)c12"]
["195883399","Cc1c(-c2c3c(C)c(O)c(O)c(Cl)c3c(-c3c(C)c(C)c(O)c4c(O)c(O)c5c(O)c(O)c(O)c(O)c5c34)c3c(C)c(Cl)c(C)c(Cl)c23)c(O)c2c(O)c(O)c(O)c(O)c2c1C"]
["186502226","Bc1c(O)c(O)c2c(O)c(C)c(O)c(O)c2c1-c1cccc(-c2c(OC)cccc2OC)c1F"]
["173019101","CN(CCCCCC(=O)N(C)CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)CCc1ccc(C(=O)N(C)CCCN(C)C(=O)CO[C@H]2Cc3ccccc3C23CCN(CC[C@]2(c4ccc(F)cc4)CN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CO2)CC3)cc1"]
["170131024","Cc1c(C)c(O)c2c(O)c(O)c(O)c(-c3c(O)c(O)c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c(O)c(O)c(O)c(O)c34)c2c1C"]
["174091402","[B+]=c1c([O-])c(O)c2c(-c3ccccc3)c3c(C=C)c(C)c(C)c(C)c3c(=c3ccc(=C4C=CC(=C5c6c(oc7ccccc67)C=CC5OC)CC4)c4c3CCC=C4)c2c1C"]
["179955703","CCC1=C(O)C(C=NC2=CCCC=C2)=C(C)CC1C"]
["195831256","OC1=C(O)C2Oc3c(c(O)c(O)c4c(O)c(O)c(O)c(O)c34)[C@H]2C(O)=C1c1c2ccccc2c(-c2c(O)c(O)c(C3C=c4ccccc4=CC3)c(O)c2O)c2ccccc12"]
["174403482","CCC(C)c1cc(C(=O)O)c(=O)n2cc(F)c(N3CCC(N/N=C/c4c(NF)c(O)c5c(O)c(C)c6c(c5c4O)C(=O)C(O/C=C/CCC(CC(O)CCC(C)/C=C/C=C(/C)C=O)OC(C)=O)O6)C3)c(C)c12"]
["174313597","C=C/C=C\\C=C/Cc1ccccc1-n1c2c(O)c(O)c(C)c(O)c2c2c(O)c3c4c(c21)Oc1c(O)c(-c2c(O)c(O)c5c(c2O)c2c(O)c(O)c(C)c(O)c2n5-c2ccccc2)c(O)c2c5c(O)c(O)c(O)c(c5n-4c12)S3"]
["195781416","C=Cc1c(I)c(C)c(O)c2c(-c3ccc4ccccc4c3)c3c(O)c(O)c(O)c(O)c3c(-c3c(O)c(O)c(-c4c(O)c(O)c5c(O)c(O)c(I)c(I)c5c4O)c(O)c3O)c12"]
["196483960","[2H]C(C)(C)c1cc(C2=C=CC(C([2H])([2H])[2H])C=[C-]2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1ccnc(C2=C=C[C-]=C3c4c(F)cccc4SC23)c1.[Ir]"]
["77885000","CC(O)CN(CCc1ccccc1F)C(=O)C1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC21C"]
["187032625","CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(c1ccnc(C2=C=CC3Oc4cc(-c5ccccc5)ccc4C3=[C-]2)c1)C1CCCCC1.[Ir]"]
["166595329","COc1cc(C2CCC(COc3cc([C@@H](CC#N)C4CC4)ccn3)CC2)c(F)cn1"]
["153641487","N=C1N[C@](c2cccc(-c3cncnc3)c2)(c2ccnc(C3CC3)c2)c2cccc(F)c21"]
["172078613","[2H]C(C)(C)c1ccc2o[c-]c(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)c2c1.[Ir].[c-]1ccccc1-c1ccccn1"]
["196483510","[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1cnc(C2=C=CC=C3C4=CC=C(F)[N-]C4=S=C23)cc1-c1ccccc1.[Ir]"]
["132658961","O=C(Nc1cccnc1Cl)C(=O)NC1CCSc2c(F)cccc21"]
["166849917","CCCc1cc(-c2c(F)cccc2F)nnc1[C@@](C)(CC(C)(C)C)c1cncc(-c2ccnc(C(C)(C)O)c2)n1"]
["200065027","C[Si](C)(C)c1ccc(C2=C=CC(=C=[N-])C=C2)nc1.Cc1cnc(C2=C=CC3Oc4cc(C5=CC=C[C-]6CCCC=C56)ccc4C3=C2)cc1C(C)C.[Ir]"]
["142186961","CCOc1cnc(C(=O)N(C)C(C)c2ccccc2F)cn1"]
["87029678","CNC(c1cc(C)c(F)cc1Cl)c1cccc(F)c1Br"]
["161356627","CN(CCC1CNCN1)CCN(C)C[C@H]1O[C@@H](N2CNC3C(N)NCNC32)[C@H](O)[C@@H]1O"]
["81362316","NC(C(=O)OCC1c2ccccc2-c2ccccc21)C1OC(N2C=NC3C(O)=NCNC32)CC1O"]
["176476708","CC1OC(N2CCCC3(N=C(O)C4(CCCN(CC5OC(O)C5O)O4)N=C3O)O2)C(O)C(O)C1O"]
["179390027","CC1OC(N2CC(F)C(=N)NC2O)C(O)C1O"]
["178151362","CCN(CC1=C(c2ccccc2C)C(=O)C2C=C(Br)C=CC2O1)C1NCNC(=N)C1N"]
["120704369","CN(CCc1cc(Br)cs1)CCN1CCNCC1"]
["172335570","CN(CCF)CC1CCC(C(=N)O)N1"]
["175913385","N=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CN1"]
["94701291","CC(Br)CCN(C)CC1Cc2ccccc2O1"]
["146376751","CCCN(C)CC1CCN(C(=O)C2CCCC2N)C1.Cl.Cl"]
["77407017","CN(C)CC[NH+]=C(O)CC1OC(CN=C(O)C2CCCC2)C(O)C1O"]
["77293366","CC(CN1C(=S)N=C(O)C2NCNC21)NCc1ccccn1"]
["51315867","CN1CC2C3=c4c5c6c7c8c9c%10c%11c(c%12ccc%13c(c4c(c69)c%13c%12%10)C2C1)C=CC12CN(C)CC14C=CC1=C(C=7C6C1C=CC3C56)C4C=8C%112"]
["77978089","CC(C)(C)OC(=O)N1C=NC2C=C(F)C(Cn3c(C(=O)O)c(C4C=CC=NC4=O)c4c5occc5c(F)cc43)=CC2C1=O"]
["68522244","C=Cc1ccc(OC(=O)CCCC2(c3ccc(C=C)cc3)C3c4c5c6c7c4c4c(c8ccc9c%10c%11c%12c%13c%14c(c7c%13c4c8c9%12)=C4C6C(C=C5)C5C=CC6C(C=C%10)C%11C=%14C6C45)C32)cc1"]
["187955128","CC(CF)c1ccc(N2CC(CS(C)(=O)=O)C2)c2cnc(Cl)cc12"]
["88689467","CCNC(Cc1ccoc1)C1CN(C)CCCN1C"]
["180656560","C[Si+][C@H](O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3occc23)c1"]
["176254822","CC(C)Cc1cc(Br)nn1-c1ccc(F)c(OC2CCC2)c1"]
["170747050","C[C@H]1[C@@H](CNS(C)(=O)=O)OC(C)(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1"]
["196833156","CN1CCC(F)(F)[C@@H](N=C(O)[C@]23CN(c4ccc(C#N)c5ncccc45)C[C@@]2(C(F)(F)F)C3)C1"]
["176355886","CN1CC(F)(c2nnc([C@]34CN(c5ccc(C#N)c6ncccc56)C[C@@]3(C(F)(F)F)C4)o2)C1"]
["192474117","CC(C)c1cc2c(cc1[C@@H](C)C1(C)CN(C)C1)N1C(=NN=C(O)[C@H]1C)CO2.CC(C)c1cc2c(cc1[C@@H](C)C1(C)CNC1)N1C(=NN=C(O)[C@H]1C)CO2.Cl"]
["186987885","CC1C(CCC#N)N(C)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1"]
["173456796","[B+]C1([B+])CCC([c-]2[cH-][cH-]c(Cl)c(Cl)[cH-]2)C2=[C-]C(=[B+])C(=[B+])C(=[B+])C2C1"]
["176632064","[B+]=C1[C-]=C2C(=C3CCN(C)CC3)C3[N-][C-]=C(C=O)N3CCC2C(=[B+])C1=[B+]"]
["120405666","CSC1CCCN(c2ncnc(Cl)c2C(C)C)CC1"]
["175415664","[B]C1([B+])N(CC)C(O)(O)C([B+])([B+])N([c-]2[cH-][cH-][cH-]c(Cl)c2Cl)C1([B+])O"]
["179937407","[B+]=C1[C-]=C(Cl)C2C(O)=NC3(CCCCC3)N2C1=O"]
["86421070","CCCc1c(NN)ncnc1NCC1(O)CCCC(C)C1"]
["93412341","CC1CCCC(CNc2ncc(Cl)cc2Br)(N(C)C)C1"]
["173835353","[B+]=C1C=[C-]C2C(=C1)CCC(c1cc(C)cc(C)c1)N2C"]
["92472176","CCCc1c(Cl)ncnc1OC1CCC(C)(C)CC1"]
["146299385","NC1(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)CC1"]
["94513426","CCCc1c(Cl)nc(C2(OC)CCCC(C)C2)nc1Cl"]
["85169701","N=C(O)C1(N)CCC(Sc2ncccc2Cl)C1"]
["193220454","OPCCCCCCCCC=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F"]
["181420432","CCCCCCCC/C=C(\\C/C=C\\C/C=C(\\CCCC(=O)N=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-]"]
["171776225","C=C(F)C(=O)OCCCCCCCC/C=C\\CCCC"]
["90986184","CC#CC(I)=CCCCCC"]
["68790090","CCCCCCCCCC/C=C/N=C=O"]
["24950004","CCCCC[CH]CCCCCCCCCC"]
["158269623","CCC=CCCCCCCCC(=O)O.CCC=CCCCCCCCC(=O)O"]
["79462328","CCCC[C@](C)(O)/C=C\\CCCCCCCCCCCCC(=O)O"]
["175067951","Br.Br.CCCCCCCCCCCCC=C(C)C"]
["55320118","CCCCCC=C(CCCCC)CCCCO"]
["175742079","OCCCCCCCCCCCCCC/C=C(/F)C(O)=NC1CC1N=C(O)/C(F)=C\\CCCCCCCCCCCCCCOF"]
["96509947","C=CCCCCCCCC/C=C(/c1ccccc1)C(C(=O)OC)[Si](C)(C)C"]
["97614221","O=C(O)[14C@@H]1[14CH2][14C@@H]2[14CH2][14CH2][14CH2][14CH2][14C@@H]2N1"]
["47814146","O=C(O)C12NNC(NN1)C2[N+](=O)[O-]"]
["26110399","CN(C)C(=O)CN[C]=O"]
["59219637","C=C(CC(=O)OCC)NC(=N)O"]
["58258215","CCOC(=O)/C=C(/O)CC(=O)OCC"]
["168605270","CCOC(=O)C/C(O)=C/c1nc(OC)nc(OC)n1"]
["170631929","O=C(C1=NNCC1c1ccc(Cl)c(Cl)c1)c1ccccc1"]
["65571569","O=C1CNC(C(=O)O)C1=O"]
["198809264","O=C(O)C1CC12CNCCO2"]
["156395949","C[C@@H]([C@@H](N)C(=O)O)C(C)(C)C"]
["77132397","CC(O)=NC(C(=O)N=c1cc(C)o[nH]1)C(C)C"]
["83231978","CCOC(=O)C(C#N)=C1CCN(C)CC1.[Cl-]"]
["184267257","CC1CN=[N+](CC2CCN=N2)C1"]
["179778118","C#CC[N+]1=CCC(C)CC1"]
["47327649","CNCc1sc(N2CC(C)CCC2C)nc1C1CC1"]
["111368465","CCC1CCCC1(O)CCc1cnn(C)c1"]
["173471128","CC1CCC(CNCC2=C(Cl)CCC(F)=C2)CC1"]
["163713325","CC1CCC(=O)CN(CCC2CNC2)C1"]
["42210709","CC(C)CC1CCC[N]C1"]
["120123840","CC1CCC(CN=c2nc3c(Br)cccn3[nH]2)C1"]
["93132496","CC(C)(C)NCC1CCN([C@H]2CC[C@H](C)CC2)C1"]
["98674913","CC1CCCC(C)N(C)C1"]
["105595812","C[C@H]1CCC[C@](N)(Cc2cnn(C)c2)C1"]
["114804320","Cc1nc(CNCC2(O)CCC(C)CC2)no1"]
["178453348","C1=C2CC3=C4C3CCC43C=1CC23"]
["184282567","CC12CC=C=C1C1CCCC12C"]
["173009323","CC1CCC(O)(NC2(O)CCC(C)C(C)C2)CCC1C"]
["155616324","COc1cc2c3c(c1)O[C@@](C)([C@@H]1CC=C(Br)CC1)[C@@H](C2)C3=O"]
["180106332","C1=C2CC23CCC32C=1C1CC12"]
["24885896","C#CC1=CC[C@H]2C3=CC[C]4C=C=CC=C4[C@H]3CC[C@]12C"]
["156398803","C1CC[C@@H]2C(=C3CCCC[C@H]3OC23CCCC3)C1"]
["65668597","CC1=C(C2CCC(C)(Cl)C(Br)C2)CC(Br)C(C)(C)O1"]
["175699491","C[C@H](c1ccccc1)[C@H]1CCC2(C1)CN(C=O)C2"]
["178324462","C[C@@H](SC1CCCC(C)(C)C1)C1CCCC(C)(C)C1"]
["189790663","CC1(C)CC2=C(CO)C3CCC3(C)CC2C1O"]
["178620792","CC(C)C1=CC(C2CCCC2C2CCCC2)C1"]
["34291434","CC(C)C(C)(C)[Si]1=[Si-]2(C(C)(C)C(C)C)[Si]3(C(C)(C)C(C)C)[Si+](C(C)(C)C(C)C)[Si]4(C(C)(C)C(C)C)[Si]3(C(C)(C)C(C)C)[Si]1(C(C)(C)C(C)C)[Si]42C(C)(C)C(C)C"]
["MCULE-2885762292","COC(=O)C(NC(=O)c1nnn(C(C)(C)C)n1)C(C)C"]
["111448428","CNC(C)c1nnnn1C(C)C(C)(C)C"]
["102885561","CC(C)C(C)(C)[Si]1(c2ccccc2)[Si](c2ccccc2)(C(C)(C)C(C)C)[Si]1(c1ccccc1)C(C)(C)C(C)C"]
["168191172","CC(C)C1NC(=N)C(C(=N)O)=C1O"]
["32892965","CC(C)C(C)(C)[Si](C)(C)C#Cc1ccccc1C#Cc1c(C#C[Si](C)(C)C(C)(C)C(C)C)ccc(C#C[Si](C)(C)C(C)(C)C(C)C)c1I"]
["200534099","CC(C)(C)OC(O)=NCC#Cc1[nH][nH]c(=N)c1C#N"]
["134506740","CC(C)n1nnnc1CSCc1nc(C(C)(C)C)cs1"]
["87746747","CC(C)CCNc1c[nH][nH]c1=N"]
["197642296","CC(C1NCCc2ccsc21)C(C)(C)C"]
["91949988","CC(C)c1c(C2CCC(C(C)(C)C)CC2)[nH][nH]c1=N"]
["62071341","Cc1ccc(C)c(C(=O)[P+](=O)CC(C)CC(C)(C)C)c1C"]
["99631299","O=C(O)C1=CNC2=CN(C(=O)O)NN2C1=S"]
["77008989","C=CCN1C(=S)N=NC1=S.O=C(O)c1ccccc1"]
["113652146","CC(c1ccnn1C)N1CCC(C(=O)O)C1"]
["56399746","O=C(O)C1=C2C=CN(C(=O)O)C=C2SC1"]
["74978998","O=CC1=CCC(=S)C(C(=O)O)=C1"]
["154615692","C[C@@H]1[C@@H](C)N(C(=O)c2ccc(Cl)o2)[C@@H](C)C(=O)N1C"]
["56660222","Nc1cccc(N)c1OC(=O)O"]
["107299471","COc1cc(C)c(-c2[nH]nc(C(=O)O)c2C)c(C)c1"]
["177756249","Cc1ccc(-c2ccc(C(=O)O)[nH]2)nc1"]
["52557761","Cc1nc(C(=O)N=c2[nH]ccnc2C(=O)O)no1"]
["129141785","CCCn1nccc1N=C(O)C(=O)N1CC(C(O)=NC)C1"]
["156154171","N=c1cc([C@H]2COCCN2C(=O)O)cc[nH]1"]
["99787935","OC1CC2CCC1([Si](=[Si]=[Si+][Si]#[Si-])[Si](C13CCC(CC1O)C3)(C13CCC(CC1O)C3)[Si](C13CCC(CC1O)C3)(C13CCC(CC1O)C3)[Si](C13CCC(CC1O)C3)(C13CCC(CC1O)C3)C13CCC(CC1O)C3)C2"]
["84939412","O=C(O)C1(Cc2ccncc2)CC2CCC1C2"]
["162958781","CC(=O)[C@]12CC[C@H](C[C@H]1O)C2"]
["82358862","OC1=NC(CC23C=CC(CC2)C3)N=C2C=CN=C12"]
["195501804","OC(=[OH+])C1(S)CC2CCC1C2"]
["61454407","CC(C)CC1(C(=O)O)CC2CCC1C2"]
["50051921","C[Si](O)(O)C12C=CC(CC1)C2"]
["171813609","CC(C)=C[Si-]=[O+]CC12C=CC(CC1)C2"]
["68492886","OC(O)CC12C=CC(CC1)C2"]
["162160740","CC(O)=NC12CCC(CC1O)C2(C)C"]
["70033284","CC(C)(C)Cc1cnc2c(c1)C(N)CC1(CCC1O)O2"]
["90768850","C=CC1(C)CC(=O)C2(O)C(C)(O1)C(O)C(OC(=O)CCCl)C1C(C)(C)CCC(O)C12C"]
["173905849","[B+]C([B+])([B+])B(C)Sn1[c-]2[c-]([O-])n(C)[c-]([O-])n(C([B+])([B+])[B+])[c-]21"]
["180652968","[B+]=c1ccc(=C[O-])n1C"]
["173883362","[B+]C([B+])([B+])n1c(=O)[c-]2[c-]([n-][cH-]n2C([B+])([B+])[B+])n(C)[c-]1[O-]"]
["8373716","[O-][n+]1ccccc1SCc1cccc(Br)c1"]
["65384623","[B+]=[O+][C-](O)C1N2C(=O)C(Br)(Br)C2SC1(C)C"]
["173686652","[B+]C([B+])([B+])[N-][c-]1c(F)cn(S(=O)(O)=c2cc[c-](C)cc2)[c-]([O-])n1C([B+])([B+])[B+]"]
["178788647","[B+]=C1C=C=C2NC(C)(C)C([O-])=[N+]3[C-]2C1CN3c1cc(F)ccc1C"]
["177168551","CC1CCCC(N(O)C(C)(C)C)N1[O-]"]
["173883361","[B+]C([B+])([B+])n1c(=O)[c-]2[c-]([n-][cH-]n2C)n(C([B+])([B+])[B+])[c-]1[O-]"]
["162555936","CSC(C)(C)C(N)c1c(Br)nnn1C"]
["156323595","CSCCN1CC2=C(CN(C)C2)C1"]
["173863119","[B+]C([B+])([B+])C([B+])([B+])N(C1=C=C2C(=C(CNC)[N-]1)CN([C-]1[CH-]C[CH-]C(=C3[N-][N-][CH-]N3CC)[N-]1)[C-]2[O-])C([B+])([B+])C([B+])([B+])[B+]"]
["68543600","N=CC1(CCC2(C=N)CC(C=N)(C=N)C(C=N)(C=N)N2)CC(C=N)(C=N)C(C=N)(C=N)N1"]
["43909823","N#C[C@H]1CNCCC1=N"]
["174840328","N=C1CC(=N)NN(C=O)C1"]
["197643133","CCCc1c(CCC2(C)CC2)[nH][nH]c1=N"]
["173619784","[B]=CCC1CCNC1=N"]
["157021575","CCc1c([C@H]2CC2(C)C)[nH][nH]c1=N"]
["173662089","N=CC1(CN)CC1"]
["74733890","NC(=O)c1nc(C[CH]CO)c[nH]1"]
["74966607","N#CCC1(C=N)CCCCC1"]
["162935560","C[C@@]12C=C[C@@](C)(N1)[C@H](CO)C2"]
["191023728","CCI1CCC1CC=N"]
["162075280","CC1C=CCn2c(=N)[nH]c(=N)n21"]
["195839431","CC(C)(C)SCCC[SiH-](C)(OC(C)(C)[SiH-](C)(C)O[SiH-](C)(C)C)C(C)(C)O[SiH-](C)(CCCN)C(C)(C)O[SiH-](C)(C)C"]
["186374995","CSc1nc(CN)cc(-c2cnc(OC(C)(C)C(F)(F)F)c(F)c2)n1"]
["173191656","CC(CSCCN)N=C(O)OC(C)(C)C.[O-]C(F)(F)F.[Y]"]
["12078285","CC(C)(C)SCCNS(=O)(=O)c1ccc(F)cc1F"]
["138031176","CC(C)(C)SCCCC(=O)OCc1nc(-c2ccccc2)no1"]
["136250516","CC(C)(C)SCCCC(O)=Nc1nc2ccccc2[nH]1"]
["132416124","CC(C)(C)SCCCC(=O)N1CCN(C2CC2)CC1"]
["134943417","CN(C)Cc1cc(CN=C(O)CCCSC(C)(C)C)ccc1F"]
["122428515","Cc1cc(CN(C)C(=O)CCCSC(C)(C)C)no1"]
["112635813","CCC(C)(OC)C(=O)N(CCN)CC(F)(F)F"]
["84139537","CCCCCCCCCCCC(=O)OCCSC(C)(C)C"]
["197212179","CC(C)(C)SCCN1CCC1CN"]
["178761735","[CH2-][n+]1c2ccccc2c2c3ccccc3c(=O)c3c4[nH+]c5ccccc5c5c6ccccc6c(=O)c(c45)c1c32"]
["22404283","Oc1ccc(-c2cc(-c3ccccc3)c3ccccc3[nH+]2)cc1"]
["55391179","CCN(CC)CCCn1c(SCC(O)=NN=C(C)O)[nH+]c2ccccc2c1=O"]
["99666366","O=c1c2c(=O)c3ccccc3c(=O)c=2c(F)c(F)/c1=N/C1=CC=NNN1"]
["97485811","COC(=O)C(C(C)C)n1c(=O)c2c(c1=O)c1c3ccccc3c2c2ccccc21"]
["154887659","O[n+]1c2ccccc2[n+](O)c2c3ccccc3ccc21"]
["67764632","CC(=O)OCc1c2ccccc2c2ccccc2[n+]1[O-]"]
["99387653","CC(O)=Nc1ccc(CNN=Cc2cc[n+](C)c3ccccc23)c(O)c1"]
["192262972","O=Nc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1"]
["26860219","O=c1oc2ccc3ccccc3c2c2ccccc12"]
["21483009","CCOC(=O)c1c(CN(C)Cc2ccc3c(c2)OCCO3)[nH+]c2ccccc2c1C"]
["91617925","[2H]Cc1ncc2c3ccccc3c3ccccc3c2n1"]
["161707258","C1CC[Si]([Si]#S[Si]2=[Si-]CCCC2)=[Si+]C1"]
["161722436","[O-][Si]1=[Si+]CCCCC12CCCCCC2"]
["78140826","[SiH3]O[SiH2][Si]1=CCCC1"]
["161741577","C1CC[Si-]C[Si+]C1"]
["95895364","CCNC(c1c(OC)cnn1C(C)C)C1CCCC1"]
["62160040","CC(N1C(=O)c2ccccc2C1=O)[Si]1CCCC1"]
["52179575","C1CC[Si-]=[O+]C1.[Si-]=[O+][Si][O+]=[Si-]"]
["46238645","C1CC[Si+]C[Si-]CC1"]
["173816899","C1CC[Si-]=[O+]C1.COc1ccccc1O[Si]1CCCCO1"]
["100319451","C1CCC[Si-]=[N+]=[Si]CC1"]
["161702562","C1=[Si+]CC[Si-]=C1"]
["65968180","CC(N1C(=O)c2ccccc2C1=O)[Si]1CCCCC1"]
["13519073","[H]/N=c1\\sn(-c2cc(Cl)cc(Cl)c2)/c(=N\\[H])n1-c1cc(Cl)cc(Cl)c1"]
["67969795","Clc1cc(Cl)cc(N2CCNC2)c1"]
["2187002","CN1C(=O)C[C@@H](C(O)=Nc2cc(Cl)cc(Cl)c2)S/C1=N\\c1ccc(F)cc1"]
["26878649","CC(C)C([O])c1cncc(Cl)c1"]
["119484486","Cc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N2CCCC(C)C2)n1"]
["90347367","CC(OC(=O)CCCN1C(=O)CN(C)C1=O)C(O)=Nc1cc(Cl)cc(Cl)c1"]
["8765635","O=C(CN1C(=O)C2(CCCC2)N=C1O)OCC(O)=Nc1cc(Cl)cc(Cl)c1"]
["94410165","COc1cc(Cl)cc(C=O)c1OCCC1CC1"]
["193477519","CN(C)[C@@H]1CCN(c2cc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)c(F)cc2/C=N\\NC(=N)S)C1"]
["171014499","NCc1cc(Cl)cc(I)c1Cl"]
["178699524","CN(C)CCc1ccc(-c2cnc(N)c(C3=NN(C)NN3c3cc(Cl)cc(Cl)c3)c2)cc1"]
["55272950","CCN(CC)c1nc(N)c2c(=N)[nH]c3c(c2c1C#[NH+])CC(=O)N3c1cc(Cl)cc(Cl)c1"]
["44003202","CC1=[N+](C)C2(C)[N+](c3c(C)c(C)c(C)c(C)c3C)=C(C)c3c(C)c(C)c(C)c1[n+]32"]
["74350793","Cc1c(C)c(C)c(/C=C2/C[C@@]3(C)C(CCC[C@@H]3O)C(C)C2=O)c(C)c1C"]
["73573806","Cc1c(Cl)ccc([SH](=O)=O)c1Cl"]
["25479599","Cc1c([SiH3])ccc(Cl)c1C"]
["8870864","Cc1c(C)c(C)c(S(=O)(=O)NNC(O)=NCC2CC2)c(C)c1C"]
["59694261","CCC1CNC(C)(C)CN1c1cccc(Cl)c1C"]
["43742920","Cc1ccc(Cl)c(C)c1C#N"]
["149623033","CC1=[N+](C)CC(C)C(C)C1"]
["188261473","Cc1cc(C(=O)N2CC[C@]3(C=C(N)C(=O)C(C)(C)C3)C2)no1"]
["89708009","Cc1c(Cl)cccc1N1CC(O)CNC(C)(C)C1"]
["66603357","C/C1=[N+](\\c2c(C)c(C)c(C)c(C)c2C)C/[N+](c2c(C)c(C)c(C)c(C)c2C)=C(/C)CC(C)CC(C)C1"]
["90109999","CC1(C)COc2c(C=O)c(Cl)nn2C1"]
["44109151","C[C-]=[C-]C#CC#CN(C1=C=C=C=C2C=C21)C1=C=C=CC2=[C-]C12"]
["81592533","COC1CC(C(=O)O)N(c2nc(NC3=NCC(C4(C)CC4)=C3)c3cccn3n2)C1"]
["180540841","C[CH-][C@H]1C2=C(NC1[I+]C)I=CC1=[C-][C@@H]12"]
["151834323","CN=C(O)[C@H]1C2=C(CCCC2)S[C@@H]1NC(=O)C1=NNC(=C2C=CC(C)=CC2=O)C1"]
["198315151","Cc1cc(Cl)cc(N(C2=C=C=CC3=C2C(C)(C)CCC3(C)C)c2cccc3c2CCCC3(C)C)c1"]
["160155358","CN(CC1(O)CCCCCC1)C(=O)Cn1cc(-c2ccccc2)nn1"]
["184213725","CC(C)(C[N-][O-])C[O+]=C1C=C=C(c2cc(=O)c(C(=O)[O-])cn2Cc2ccccc2)C=C1Cl.[U+2]"]
["172780788","CC(C)(C)c1cccc(I(I)c2cccc(C(C)(C)C)c2C(C)(C)C)c1C(C)(C)C.I"]
["74706157","CC1=CC(=C2C=C(C#N)C=C=C2Br)[C](Cl)C=C1"]
["175375649","CNN=[C-]C1=C=CC(C)=[C-]C1C.[Li+]"]
["180655785","CCNC[C@H](C)CC1=CC(C(O)=NCC23CC4CC5C[C@]2(C3)C5C4)=C(Cl)CC1"]
["52615349","C[C@]1(O)NC(S)=C(C#N)C(c2ccc(Cl)cc2)C1[n+]1ccccc1"]
["27145373","Nc1cc(N)c(-c2ncncn2)c(OC(Br)CBr)c1"]
["73988425","CC(Oc1ccncn1)c1ccc(Br)cc1"]
["86391069","CCc1c(N)ncnc1Oc1cc(Br)ccc1Cl"]
["93438051","CCCOc1cc(NCC(F)F)c(N)cc1F"]
["175921465","CC(C)Oc1cc(C(=N)CC=CC(=N)N2CCC(F)(C#N)CC2)c(N)cc1F"]
["86247487","CCOc1cc(N)cc(Nc2ccc(OC)c(Br)c2)c1"]
["114104234","CC[C@H](CO)N=C(O)c1ccc(N)cc1OC"]
["114100926","COCC(N=C(O)c1ccc(N)cc1OC)C(=O)O"]
["112535863","Nc1cc(Cl)cnc1NCC(O)C(F)F"]
["MCULE-7273652417","CCOc1cnccc1-n1nc(C(F)F)cc1Br"]
["107068097","COc1ccc(C)cc1CCc1nc(C)c(N)c(C)n1"]
["46318004","COc1ccc(CN2Cc3cccc(N)c3C2)cc1Br"]
["178024646","CC1CCc2c1[nH]c1c(c2=NC(O)=NS(=O)(=NC#N)c2cc(C(C)(C)O)cs2)CC(CC2CCc3c2[nH]c2c(c3=NC(=O)N=S(NC#N)c3cc(C(C)(C)O)cs3)CCC2)C1"]
["MCULE-6883304807","O=C(NCc1ccco1)c1c(N=C(O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)sc2c1CCC2"]
["94773823","CCCc1cc(=NC(=O)C2CCCCO2)[nH][nH]1"]
["34720209","CN1CCN(Cc2ccc3c(c2)CCC[C@H]3N=C(O)C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1"]
["11714293","Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1"]
["48530086","CCC(Sc1nc2c(cc1C#N)CC(C(C)(C)C)CC2)C(=O)O"]
["22743811","COCCN1CCC(CN(C)C(=O)c2cn(Cc3ccccc3C)nn2)CC1"]
["161353713","Cc1cc(C)c(Cn2nc(C(C)(C)CCc3cc(C)c(Cn4nc(C(C)(C)C)cc4C(O)=NS(=O)(=O)c4ccccc4C#N)c(C)c3)cc2C(=O)O)c(C)c1"]
["174904662","CCC(CC)n1cc(C(O)=NC(CC(=O)O)c2cccs2)c(=O)c2cc(F)c(NC3CCCCC3)cc21"]
["63515350","CCOC(=O)c1c(N=C(O)CS(=O)(=O)c2nnc(-c3ccc(C)c(C)c3)o2)sc2c1CCCCC2"]
["134330626","Cc1cnc(C(C)N=C(O)c2ccc3[nH]c4c(c3c2)CCCC4)s1"]
["32248369","CCN(CC)S(=O)(=O)N=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)C1(C(=O)N2C4CCC2CN(C)C4)CC1c1cc(OC)ccc1-3"]
["76239838","[1CH3][1C]1([1CH3])[1O][1C@@H]2[1C@H]([1O]1)[1C@@H]1[1CH2][1C](=[1O])[1N]1[1C@H]2[1C@H]1[1CH2][1O][1C]([1CH3])([1CH3])[1O]1"]
["76239765","[1CH3][1C]1([1CH3])S[1C@H]2[1CH]([1OH])[1C@@H]1[1N]1[1C](=[1O])[1C@@H]([1N]3[1C](=[1O])[1c]4[1cH][1cH][1cH][1cH][1c]4[1C]3=[1O])[1C@H]21"]
["76239860","[1CH2]=[1C]([1CH3])[1C@@H]1[1C@H]([1OH])[1C@H](SS[1c]2[1n][1c]3[1cH][1cH][1cH][1cH][1c]3s2)[1C@H]2[1CH2][1C](=[1O])[1N]21"]
["76239747","[1CH2]=[1C]1[1C](=[1O])[1O][1C@H]2[1C@H]1[1C@@H]([1O][1C](=[1O])/[1C]([1CH3])=[1CH]\\[1CH3])[1CH2][1C](=[1CH2])[1C@]1([1OH])[1CH2][1C@H]3[1O][1C@@]3([1CH3])[1C@H]21"]
["76239648","[1CH2]=[1C]1[1C](=[1O])[1O][1C@@H]2[1CH2][1C@@H]([1CH3])[1C]3=[1CH][1CH2][1C](=[1O])[1C@@]3([1CH3])[1C@@H]([1O][1C]([1CH3])=[1O])[1C@H]12"]
["76239665","[1CH3][1C](=[1O])[1N]1[1CH2][1C@H]([1CH3])[1O][1C@@]2([1CH3])[1N]([1C]([1CH3])=[1O])[1CH2][1C@H]([1CH3])[1O][1C@@]12[1CH3]"]
["76240005","[1CH3][1C]1=[1C]2[1CH2][1C@@H]3[1C@@H]([1CH3])[1C](=[1O])[1C@@H](Br)[1CH2][1C@]3([1CH3])[1CH2][1C@@H]2[1O][1C]1=[1O]"]
["76239862","[1CH2]=[1C]1[1C](=[1O])[1O][1C@H]2[1C@H]1[1C@@H]([1O][1C]([1CH3])=[1O])[1CH2][1C@@]([1CH3])([1OH])[1C@@]13[1O][1CH]1[1C@@H](Cl)[1C@]([1CH3])([1OH])[1C@H]23"]
["76239976","[1CH3]S[1C]1=[1C]([1CH]=[1O])[1C](=[1O])[1CH2][1CH]([1C]2=[1C]([1CH3])[1CH2][1CH2][1CH2][1C]2([1CH3])[1CH3])S1"]
["75494477","[NH-][N+]12CC=[NH+]C=C1C(C1=CC=C1)=N[C-]2c1ccc([O+]=C2C=CC(=O)C=C2)cc1"]
["70541615","O=C(N=C1C=CC=C2C(=O)c3ccccc3N=C21)C(=O)N=C1C=CC=C2C(=O)c3ccccc3N=C21"]
["74615144","C=C1C=CC(=[O+]c2ccc(S([O])([O-])N(C)C)cc2)C=C1"]
["178366894","C=CC(=O)N1CCCC2(C1)C[N+]21C=C(C(=N)O)C(=C2C=CC(=[O+]c3ccc(S(C)(=O)=O)cc3)C=C2)[N-]1"]
["47151667","CCN(CC)S(=O)(=O)c1ccc(NNC=C2C=CC(=O)C=C2)nc1"]
["73618576","O=C1C=C[C](Oc2ccc(Cl)cc2Cl)C=C1"]
["195188955","O=C1/C=C\\C=C/CN/C=C\\1"]
["168622208","C=C/C=C(\\O)[O+]=C1C=CC(=O)C=C1"]
["74904237","O=C1C=C[C]2C(Cl)=CC=CC2=C1"]
["59324048","O=C([O-])C1=CC=C2C=CC=NN=C2C1.[Na+]"]
["83091456","O=C1C=CC(=C2C=C(C(O)=NC3CCNC4(CCC4)C3)C3C=NNC3=N2)C=C1"]
["186484885","CC1=C(Cc2ccc(C)cn2)C=C2C=CC(=O)C=C2C1=O"]
["32712384","F[14c]1[14cH][14c](Cl)[14c](CBr)[14cH][14c]1-c1[nH]nc(C(F)(F)F)c1Br"]
["173696345","O=[N+]([O-])c1ccc2c(C(F)(F)F)n[nH]c2c1"]
["155200542","CCOc1n[nH]c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1Br"]
["185931833","N#CCc1[nH]nc(C(F)(F)F)c1Cc1c[nH]c(C(=O)Nc2ccc(C(O)=NC3CC(N)C3)c(Cl)c2)n1"]
["MCULE-5116954311","O=c1cc(-c2cc(F)cc(Br)c2)[nH]c2c(Br)c(C(F)(F)F)nn12"]
["75772957","FC(F)(F)c1n[nH]c(C(F)(F)F)c1C1=CC=C=C[CH]1"]
["MCULE-4413987841","CCOC(=O)c1nn(Cc2ccc(C)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br"]
["MCULE-8644629489","CN(CC(O)=Nc1ncc(Br)c(C(F)(F)F)n1)C(=O)OC(C)(C)C"]
["159271128","OCc1cc(Cl)cc(C(F)(F)F)c1Br"]
["155229144","N[C@H](CCl)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1"]
["114382020","FC(F)CN(CCBr)c1nc(C(F)(F)F)ns1"]
["155333600","O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c21"]
["75665469","CCCC1=CPC(=[P-])[C+]1CCC"]
["59727064","CCCn1ncc(B(O)O)c1C"]
["93102876","CCCn1nccc1CNC1CCCCC1O"]
["171641880","C=Cc1cccc(CCC)c1CC"]
["60459217","CCCc1c(C(Cl)(Cl)C(Cl)(Cl)Cl)nnn1CCC"]
["16909034","CCC(O)=NCC(O)=N[C@H](C)c1ccc(F)cc1"]
["62322704","CCCc1ccc(C(CS(=O)C(C)CC)NCC)cc1"]
["53069064","CCCC1=C(C)N=C(Cl)C1C(F)(F)F"]
["84178909","[CH+]=Cc1ccccc1C=[CH-].[CH2]CCC.[Sb]"]
["78476290","Bc1cc(CCC)ccc1C"]
["45491135","CCCc1[nH]ccc1C(=O)c1ccc(OC)c(OC)c1"]
["60568501","CCCCCc1oc2ccccc2c1C(C)=O"]
["177969048","C1CNc2[nH]c3[nH]c4c(oc=3[nH]c2C1)SCCN4"]
["179268932","CC1C2=C(NCCS2)[C@H]1C"]
["45347135","CC(=O)CC/C(=C1/NCCCS1)[N+](=O)[O-]"]
["99215790","[O-]C([O-])=C1CCCN1"]
["162982721","CCC(N)(CC)C1=NCCCN1"]
["90082333","Oc1cc(F)c2c(c1)NCCC2"]
["109948313","O=c1c2c([nH]n1C1CCCC1)NCCC2"]
["197443757","NC(c1n[nH]c2c1CCCC2)C(F)F"]
["MCULE-3075177634","Nc1sc2c(c1C(=O)O)CCCN2"]
["50846290","N=c1[nH]c2c([nH]1)CCCC2"]
["113035746","CC(C)(CCN)CN=c1ccc2c([nH]1)CCC2"]
["108620884","NCC[C@H]1CCCNc2c(Br)cccc21"]
["81429254","C1=CS(C2C([S]3C=CC4=C3CCCC4)c3scc(S4=CCC5=C4CCCC5)c3C(S3=C[CH-]C4=C3CCCC4)C2[s+]2ccc3c2CCCC3)=C2CCCC=C12"]
["178662899","COc1cc2c(c(C3C4=C(CCCC4)CC(OC)[C@H]3P(c3ccccc3)c3ccccc3)c1P(c1ccccc1)c1ccccc1)CCCC2"]
["46214494","COc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)/C1=C\\CCCCCCCCCC2=C(C=C1)CCCC2"]
["165864692","OC(/C=C/c1c(Cl)nc2sccn12)=Nc1cccc2c1CCCC2"]
["28277290","COc1ccc(S(=O)(=O)N2CCC(c3nc(C(=O)N4CCCC5CCCC=C54)cs3)CC2)cc1"]
["175537074","[B+]=C1C=CC=C(OP(Oc2c[c-]ccc2)O[C-]2C=CC3=CCCCC3=C2c2c(OP(OC3=CC=CC(=[B+])C3)Oc3ccccc3)ccc3c2CCCC3)[CH-]1.[Re]"]
["173370944","CC1CC=C(Sc2ccc(C3CCCC4CCCCN43)cc2)C=CN1C"]
["43510075","COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)/C3=C\\CCCCCCCCCC4=C(C=C3)CCCC4)c2c1"]
["175369088","CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1c1c#cc(Sc2ccc(C(O)C(C)(C)[S+]3CCCC3)cc2)cc1"]
["74336625","O/N=C\\c1ccsc1-c1ccc(C2CCC3CCCCN32)cc1"]
["172844126","COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)C3=C\\CCCCCCCCCC4=C(\\C=C/3)CCCC4)c2c1"]
["31616879","O=C(c1csc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1)N1CCCC2CCCC=C21"]
["178915620","C=C1CC2CC(C2)C2C=C=C1C(=C)C1=CC(CC1=C)C2"]
["174066511","C=C(N)C1=C[C@@H]2CC2C[C@H]1C"]
["112556070","OC(=NC1C2C3CCC(C3)C12)c1cc(S)ccc1Br"]
["178928895","BrC1=CC(C2CC2)CC(I)C1"]
["180161036","CC1=CC(C2CCC2)C2C=C=C1C2"]
["178528019","C=C1C(C)C=C2CC12"]
["25971132","C[Si](C)(C)C1[C]2CC3CC(C2)CC1C3"]
["134325163","CCOC(Cn1cc(C(O)=NC2C3C4CCC(C4)C23)nn1)OCC"]
["177392408","Cc1ccccc1CCNCC1C2CC3CC(C2)CC1C3"]
["121908963","Cc1c(C(O)=NC2C3C4CCC(C4)C23)cnn1CC(C)C"]
["193605255","C=C1[C@H](C)[C@@H]2O[C@@]1(C)C[C@@H](C)[C@H](C)C=C=C(C)[C@@H](CC)OC(=O)[C@@H]2C"]
["180419116","CCC1=C=C[C@H]2CC2C1"]
["173950873","c1ccc2[si-]c3cc[cH+]cc-3o[nH]oc2c1"]
["175058013","CC(C)(O)C(C)(C)O[B]c1[nH]c2ccccc2c1O"]
["126674342","COc1cc(CN=c2[nH]c3ccccc3o2)ccc1SC"]
["53650730","Nc1cccc(-c2nc(-c3cc4ccccc4o3)cs2)c1"]
["74549041","c1ccc2o[n+]#[n+]c2c1"]
["178660157","II=c1[cH-]oc2ccccc12"]
["8792347","O=C(CN=c1[nH]c2ccccc2o1)c1ccccc1"]
["184953575","C[Si](C)(C)c1cccc2c1nnn2Cl"]
["105638560","Cc1c([C@H](C)N=c2[nH]c3ccccc3o2)cnn1-c1ccc(F)cc1"]
["64889051","OC1C=Cc2oc3ccccc3c21"]
["58555238","CCCCCCN=c1[nH]c2ccccc2o1"]
["835526","O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1N=C(O)C1CC1"]
["193925981","CCB1OC(C)C(C)C(C)O1.CCB1OC(C)C(C)C(CC)O1.CCC1OB(C)OC(C)C1C"]
["161765596","CCOc1ccccc1CC1OC1C"]
["81548619","CCC1OC(C)(C)OC1CN=C(O)OC(C)(C)C"]
["154692559","C#C[C@@H]1OC(C)[C@H](OCC)[C@@H](OCC)[C@H]1OC"]
["81489745","CCOC1C(C)OC(O)C(OCC)C1OCC"]
["62259579","CCC1COB(C(C)C)OC1C"]
["68097063","CCC1OCC2(CCC(C)CC2)NC1C"]
["45722624","CCC1COCC(C)C1C"]
["178267012","CC[C@H]1CC2C(C)[C@H]2C(CO)O1"]
["56344591","CB1OC(C2CCCCC2)C(C2CCCCC2)O1"]
["100145533","CC1O[Si](O)(CCCCl)OC1CO"]
["62748295","CC[C@H]1OC(C(=O)OC)[C@H](C)[C@@H](C)[C@@H]1C"]
["161795101","CC1=C(Cl)C(=[Cl+])C(=[Si]2O[Si](=C3C=CC(C)=C(Cl)C3=[Cl+])O[Si-](c3ccc(C)c(Cl)c3Cl)O[Si-](c3ccc(C)c(Cl)c3Cl)O2)C=C1"]
["184406066","CC1=CC=C2c3ccc(C)c(F)c3OC(F)(F)C2C1F"]
["54315421","Cc1ccc(Cl)c(-n2cnnc2S)c1Cl"]
["191079459","Cc1ccc(Cl)c(Cl)c1O.Nc1ccc(Cl)c(Cl)c1O"]
["171730134","Cc1ccc(Cl)c(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)c1Cl"]
["97108555","CC1=C2[S+]=c3c(C)cccc3=C2C([O])([O-])C=C1"]
["47057354","Cc1ccc(Cl)c(OC(=O)c2ccccc2N)c1Cl"]
["106966170","Cc1ccc(Cl)c([C@@](C)(O)C(=N)N)c1F"]
["MCULE-2698509453","Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3Cl)C2=O)cc1C"]
["120419343","CCc1ccc(CNc2cccc(C)c2Cl)cc1"]
["17360532","Cc1ccc(Cl)c(Cl)c1Cl"]
["144892462","Cc1ccc(C2CNCCO2)c(Cl)c1O"]
["100921520","[CH+]=C(CCCCC[CH2-])C(=[CH-])CCCCC[CH2-].[Li+].[Li+]"]
["178649503","C[Si](C)(C)CCCCC(N)(CCCCCC(=O)O)CCCCC(=O)O"]
["192964468","[CH2-]CCCCCCCCCCCCCCC[CH-]C(=O)Oc1ccccc1.[Ca+2].[Zn]"]
["171647185","C=CCCCCCC(=O)O.[Cu]"]
["161796676","[CH2-]CCCCCC[CH2-].[Cr+2]"]
["97857232","O=C(O)CCCCCCCCCCCCCCCN(CCS)CCS"]
["79145789","[CH2-]CCCCCCCCCCCCCCCOP(=O)(OO)OO.[Na+]"]
["54772152","COCC=CCCCCCC(=O)O"]
["79258366","CO[Si](CCCCCCCCCCCCC(=O)O)(OC)OC"]
["175239640","[CH2-]CCCC.[SiH2].[Zr]"]
["186445677","[CH2-]CCCBr.[H-].[Mg+2]"]
["79501825","O=C(O)CCCCCCCCCCCCCC(=O)O.O=C(O)CCCCCCCCCCCCCC(=O)O"]
["180205606","C[I+][C@@H]1[I+][C@H](C)C2=C[N-]C(=C[N-]2)[C@H](C)[C@H](C)C2N=C=C1[CH-][N-]2"]
["188918525","COC[C@@H](C)NCc1ccc(Cl)nn1"]
["161531792","C[C@H]1CCC2=CN=C=CN=C2N1C"]
["74138250","CC1=C=NC=C[C]1C1CC1"]
["58338879","CC=C1C=CN(C2=C=NC(C)(C)C2C)[N-]1.[Rh]"]
["199240483","C[I+]N[C@H](C1=C=CC(C)[N-][CH-]1)C(F)(F)F"]
["157155941","Cc1cc(NC(=O)CN2c3ccccc3S[C@@H](C)[C@H]2C)n(C)n1"]
["184179748","CC1CCC([I+]CC2N=C=C(I)[CH-][N-]2)CO1"]
["180722938","CC1C2=C[C@H](OO2)[C@@H]1C"]
["60853081","Cn1cnc(C2=C=NC=C[N-]2)n1.[Ir]"]
["161519570","Cc1cc2c(nn1)C(C)C(C)N2"]
["175224436","[B+]C1([B+])CC(C2=C=CC[N-][CH-]2)N(C)C1=O"]
["168344747","C1CN2CCC[N+]3=[B-]4B(N5CCC[N+]6=C5N4CCC6)N(C1)[C-]23"]
["158620082","CCCN1CCC[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1"]
["97511279","CN(C)[B-]12N3CCC[N+]4=C3N(CCC4)[B-]1(N(C)C)N1CCC[N+]3=C1N2CCC3"]
["49933440","[NH3+]S(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc1"]
["151470290","O=C(c1ccnnc1)N1CCC[C@H](c2ccncn2)C1"]
["74846379","O=C(c1ccc2c(ccn2-c2ccc(OC3CCN(CC(=O)C(F)(F)F)CC3)cn2)c1)N1CCC1"]
["107323073","Cc1ccn(-c2ccc(N3CCC[C@@H](C(O)=NCC4CC4)C3)nn2)n1"]
["162403613","N=C(O)C1CCCN1c1cnc(Br)cn1"]
["166459303","O=C(C1C2CCCC21)N1CCN(C2CC2)c2ccccc21"]
["60185231","CCN(CC)CN1CCC[N+]2=C1CCC2"]
["151479167","FC(F)(F)c1ccc(N2CCC[C@H]2c2ccncn2)nc1"]
["199146477","C[C@@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)c2cncn2n1"]
["186667930","CC(C)(C)N1[CH-][CH-][N+](=Bn2ccn(C(C)(C)C)c2=S)C1=S.CC(C)(C)N1[CH-][CH-][N+](=Bn2ccn(C(C)(C)C)c2=S)C1=S.[Cd+2]"]
["170527622","CC(C)(C)n1cc[n+](C(C)(C)C)c1B(Cl)Cl"]
["51878178","CC(C)(C)CN1C(=O)C(C)(C)C(=O)N(CC(C)(C)C)C1=S"]
["188126203","CC(C)(C)n1ncc2c(O)nccc21"]
["154800674","CC(C)(C)N=C(O)C1OCC(O)=NC1c1nccn1C(C)(C)C"]
["52211538","CC(C)(C)N1C(=O)COc2ccccc21"]
["124935647","CC(C)(C)n1nnn(CN2CCC(CN3CCCC3)CC2)c1=S"]
["153795781","COc1ccccc1-n1c(=S)n(-c2ccccc2)s/c1=N/C(=N/c1ccccc1)c1ccccc1"]
["18093046","COC1CCN(Cn2[nH+]cn(C(C)(C)C)c2=S)CC1"]
["172684714","CC(C)(C)n1ccc2c(Cl)nc(I)nc21"]
["134508320","CCC(C)C(O)=NN=c1nc(O)c2cnn(C(C)(C)C)c2[nH]1"]
["19456024","C=CCN(Cc1ccccc1)Cn1ncn(C(C)(C)C)c1=S"]
["173072101","NOSc1cc2c(s1)SNC=C2"]
["61335816","Nc1ccc2c(c1)C=CS2(O)O"]
["161762391","N#CC1=CSNC=C1"]
["152543763","Cc1ccc(-c2[nH]c(=Nc3ccc(C)c(Cl)c3)sc2C)cc1C"]
["74104859","C1=CNC2=NC[N]CC2=N1"]
["182656973","O=CCC(C(=O)O)c1ccc2c(c1)SNC=C2"]
["168911803","Cc1cc(C)nc(N(C)SON)n1.S"]
["185053532","C1=Cc2ccc3ccccc3c2SN1"]
["174690926","[SiH2]C1=CC=CC=CN1"]
["176077760","C1=Cc2c(ccc3ncncc23)SN1"]
["173335306","Clc1ccc(Sc2nc[nH]n2)s1"]
["111130793","COc1cc(Nc2ncc(N)s2)ccc1F"]
["48801645","C[NH+]1C=CC=C1C(=[OH+])[N+](C)(c1ccc2cc([S-](O)(O)=[OH+])ccc2c1S(=O)(=O)[O-])c1c2c(c(S(=O)(=O)[O-])c3ccc([S+](=O)(O)O)cc13)=N[C+]([O-])N=2"]
["19144176","Cc1ccc(F)c(S(=O)(=[OH+])[N-][N-]C(=[OH+])C2=CC=C[NH+]2C)c1"]
["145467891","CC(C)COc1ccc(-c2ccc(C(O)=NS(=O)(=O)c3cccnc3O)c(N3[C@H](C)CC[C@@H]3C)n2)cc1"]
["185701889","CCOC(=S)c1nc(=O)c2cc3cc(C)ccc3nc2[nH]1"]
["87731652","CC1CCCC(C)N1S(=O)(=O)c1cncc(N)c1"]
["165462904","CS(=O)(=O)NC1CCN(c2nc(O)c3ccccc3n2)CC1"]
["29532458","NS(=O)(=O)c1ccc(-n2nc(C(F)F)c3ccc4cc(C(=O)O)ccc4c32)cc1"]
["21464213","Cc1ccc([N-]S(=O)(=O)c2ccc(C(=[OH+])[NH+]3C[C@H](C)[OH+]C[C@@H]3C)cc2)cc1C"]
["22788823","Cc1cc(C)c(CN=C(O)C2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c(O)n1"]
["151880963","Cc1cc(C)nc(N([C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)S(=O)(=O)c2ccc(N)cc2)n1"]
["66788041","CC1=CC2=NC(C)C(C)(S(=O)(=O)c3ccc(F)cc3)C(c3ccc(Cl)c(Cl)c3)N2N1"]
["82524343","CCCN1C=C(C)C2C(=O)N=C(c3cccc(S(=O)(=O)N(CCO)CCOCC)c3)N=C21"]
["47404174","CC(C)n1c(N[NH3+])[nH+]c2c1c(=O)[n-]c(=O)n2C"]
["147234492","CC(N)C1CCN(Cc2ccc3c(c2)sc(=O)n3C)C1.Cl"]
["MCULE-1147233445","CCCOC(=O)COc1cn(CCN=C(C)O)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O"]
["65744065","COc1ccc(C(=O)c2ccoc2NCC(O)=NCC2CCN(C(C)C)CC2)cc1"]
["87973738","CC(C)c1nc2c(c(=O)n(C3CCNC3)c(=O)n2C)n1C"]
["83596577","COc1cc(OC)c2cc(C(=O)NC(C(=O)[O-])C(C)C)n(C)c2c1"]
["18972592","Cn1c(=O)nc(O)c2c1nc(N[NH3+])n2CCc1ccccc1"]
["120787078","CCC(=O)C(O)c1ccc2oc(=O)n(C)c2c1"]
["139524886","CC(C)CC(C)(C)CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1"]
["MCULE-7089038617","CCc1ccccc1NCc1cc(=O)c(OCCCN2C(=O)c3ccccc3C2=O)cn1CCC(C)C"]
["125164704","CCC(C)C(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C"]
["104291986","C[C@H](Oc1ccccc1)c1nnc(N=C(O)c2cc(=O)n(C)c(O)n2)s1"]
["194231582","CN1C=CC=[N+]2C=CC=[N+](C)C12C.C[N+]1=CCC[N+]2=CCC=CC[C@]12C"]
["188619135","C/C1=C\\CC(C)(C)/C=C/C/C(CO)=C\\CC1"]
["186689077","CO/N=C(\\C)C1(C)CC(c2cc(-n3c(=O)n(C)c(=S)n(C)c3=O)c(F)cc2Cl)=NO1"]
["162918068","O=C1CCN(CCN2CC=CCC2)C1=O"]
["MCULE-7019192773","COc1ccc(F)c(-c2cc(C(=O)N3C(C)(C)CC(=O)CC3(C)C)c(F)cc2F)c1F"]
["MCULE-4298459767","CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)C2c2cc(Cl)c(O)c(OC)c2)cc1"]
["101783667","CO/N=C(\\C)C1(C#N)CC=CN1C"]
["68653486","O=C1c2ccccc2C(=O)N1CCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3"]
["166487430","Cn1c(CN=C(O)C2(C)CC=CCC2)cc(=O)n1-c1ccccc1"]
["194883792","CC1=CCC(C)(C)C=CCC=CCC1"]
["11245587","CC1=CC(=O)N(CC2=CC=C[C@](O)(CN3C(=O)C=C(C)C3=O)C2)C1=O"]
["139688650","COc1cc(C(=O)N2CCN(C)C(=O)C2(C)C)ccc1Cl"]
["161371636","CN1C(C#N)C(C#N)NC2C1C1N(C)C(C#N)C(C#N)NC1(C)C1NC(C#N)C(C#N)N(C)C21C"]
["163182209","CN1CC(C#N)NC(C#N)C1"]
["107274619","CN1C(=O)O[C@@H](c2c[nH]c3ccccc23)[C@H]1C#N"]
["192991196","C#C[C@H]1CC[C@@H](C#N)N1.C#C[C@H]1CC[C@@H](C#N)N1C"]
["89048601","CC(C)c1ccc(C2OC(=O)N(C)C2C#N)cc1"]
["56923201","Cc1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(S(C)(=O)=O)[C@@H]2CO)cc1"]
["MCULE-7873524329","CC(C)CCn1nc(C2CC2)c(C#N)c1C(F)(F)F"]
["158577741","CC1(C)[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@H]21"]
["182358413","CC(N)Cn1ccc(C2=CC(C)(Cl)[C@H](C#N)C=C2)n1"]
["15074942","Cc1c(Cl)ccc2c1C(=O)N(CC(C)(C)CO)[C@@H]2C#N"]
["67798260","CC(C)CCN1CC2(CCCCC2)NCC1C(C)C"]
["170715021","CN1C[C@@H]2C[C@H](C#N)C[C@H]1C2"]
["88697773","O=C1CSCC1c1nc(C2CN3CCCC3CO2)no1"]
["159930578","Cc1cn2nc(N3CCC(c4nccn4C)C3)sc2n1"]
["160630871","O=S(=O)(CCC1CCC1)N1CCN2CCCC2C1"]
["8156591","Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(O)=NCc2ccccc2)C1"]
["110943271","COCc1nc(C(=O)N2CCCC(C(=O)O)C2)cs1"]
["121526225","O=S1(=O)CCC(N(Cc2csc(C3CCCO3)n2)CC2CCCO2)C1"]
["127316552","CN1CCc2nc(N=C(O)C3CC(=O)C3)sc2C1"]
["6665835","C1CCCN(c2nc3nonc3nc2N[C@H]2CCOC2)CC1"]
["MCULE-8197061311","C=CC(=O)N1CCCC(c2cncc(-c3noc(C(F)(F)F)n3)n2)C1"]
["154968874","Cc1cnn(C[C@@H]2CN(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CCO2)c1"]
["62551149","Cc1ccc(Cl)cc1N1CC(c2nc(-c3ccc(C(C)C)cc3)no2)CC1=O"]
["24275534","COc1ccccc1-c1noc(C2CCCN2C(=O)C2CCCCC2)n1"]
["45918613","FC(F)(F)C=P1(CC(F)(F)F)NP(CC(F)(F)F)N(CC(F)(F)F)P(CC(F)(F)F)N1CC(F)(F)F"]
["175768236","CC[C@@H]1CN=C(O)N1CC(F)(F)F"]
["64657829","CC(C)C1CN(CC(F)(F)F)C(c2ccccc2)CN1"]
["157835048","C[C@H]1CC(=N)NN1CC(F)(F)F"]
["198619787","FC(F)(F)Cn1ccc(C(F)(F)F)c1"]
["88757270","O=C1N(CC(F)(F)F)C(C2CCCC2)NC12CC2"]
["88757526","CC(C)CC1NC(C(C)C)N(CC(F)(F)F)C1=O"]
["88756853","CCCCC1NC(CC(C)C)N(CC(F)(F)F)C1=O"]
["173712083","CC1CC(F)CN1CC(F)(F)F"]
["106165445","CC(C)C[C@H]1CN[C@H](C(C)C)CN1CC(F)(F)F"]
["167506017","CC1C[C@@H]2CN(CC(F)(F)F)C[C@@H]2C1"]
["106166616","CC(C)[C@@H]1CN(CC(F)(F)F)c2ccccc2CN1"]
["180182544","CCC(N)COC(CC)COC(COCC(CC)OCC([NH3+])CC)COCC(CC)OCC(CC)NC"]
["198139337","CC1OCC(OCC(COC2COC(C)OC2)OCC(O)COC(COC2COC(C)OC2)COC2COC(C)OC2)CO1"]
["184515794","CCC(N)C/C=C(\\I)COC"]
["111218195","CNC(CCc1cccc(Cl)c1F)COC"]
["200228260","CCC(Cc1ccn2ccc(F)cc12)NC"]
["93319435","CCC(C)CC(N)COC(C)C"]
["184435100","CCOCOC[C@@H](N)C[C@H](C)C(C)=O"]
["179720384","CCC(O)OCC(OCC(O)CO)C(COCC(O)CO)OCC(O)CO"]
["57546947","CCC(Cc1ccc2ccccc2n1)NC"]
["57472004","CCCCCCOc1ccc(OC)cc1CC(N)CC"]
["79958180","CCO[SiH](C(C)N)C(N)CC"]
["104247417","CC[C@@H](C)COC[C@H](O)CNCCN"]
["145197721","O=S([O-])NS(=O)(=O)CNC1=C2C3CC(C1)CC2C3"]
["197489998","COC(=O)CS(=O)(=O)NC1CC2CNC(C2)C1"]
["1503045","CCN=C(O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1"]
["125601813","CCS(=O)(=O)NC(CC1CC1)c1cc(F)cc(Br)c1"]
["54496422","CNc1ccc(S(=O)(=O)NCC(C2CC2)C2CC2)cc1"]
["177161413","C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2"]
["43785938","O=C1CC2CC(O)C(C1)C2"]
["99749659","CC(C)(C)S(=O)(=O)N1C[C@@](O)(C(F)(F)F)OC1(CNS(=O)[O-])C(F)(F)F"]
["114462112","CCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1"]
["57047522","CC(O)=Nc1ccc(S(=O)(=O)NC2CC(C)CC(C)(C)C2)cc1"]
["61455886","CC(Nc1ccc(S(N)(=O)=O)cc1)C1CC2CCC1C2"]
["163092111","O=S(=O)(Cl)c1ccc2c(c1)C1CC2CN=C1O"]
["178181642","[CH-]1C2[CH-]C3CCC4C(CCC23)C2[CH-]C1C24.[U+3]"]
["180273179","CC1C2CCC3C1C2[C@H]3C"]
["184358200","CC1C2C(CI)C3C4CCC4C2C13"]
["178176578","C1CC2C1C1C3CCC1C23"]
["180639068","C1C[C@@H]2C3CCC4C1C3C42"]
["179569766","C1C[C@H]2C3CCC4C1C3C42"]
["179577097","CCCC1CCC1C1CCC2C1C1C(C)[C@H](C)CC[C@H]21"]
["179751596","C1CCCC2C3CCC4C(CC1)C3C24"]
["180599218","C1CC2C3C1C2[C@H]1CCC31"]
["166762379","OC1CC2C(O)C(O)C3CCC(O)C4C(O)C(O)C(C1O)C2C34"]
["109025143","C1C[C@H]2C3C4[C@@H]5N=N[C@@H]4[C@H]2[C@H]5[C@H]13"]
["186966519","O=CCC1CCC2C3CCC(C3C=O)C12"]
["172430050","OC1=CC=C(I)C(=Cc2c(I)ccc(O)c2I)C1I"]
["5909736","Cc1cc(C)cc(N2C(=O)/C(=C\\c3ccc(I)o3)C(O)=NC2=S)c1"]
["175367852","OC(C=Cc1ccc(O)c(O)c1)=N[C@H]1CCC[C@@H](N=C(O)C=Cc2ccc(O)c(O)c2)C1O"]
["81344922","O=C1C(=Cc2ccc(O)cc2O)CCC1=Cc1ccc(O)cc1O"]
["44909595","CC(C)(c1cc(O)ccc1O)c1cc(O)ccc1O"]
["168173476","CNc1cccc2c(O)ccc(N=Nc3nc(C)ns3)c12"]
["43873238","CC1=CC(=CNc2cc(C)ccc2O)C(=O)C(I)=C1"]
["180079557","Oc1ccc(O)c(C2=CCC(I)C=C2)c1"]
["100684420","O=Cc1ccc(S(=O)(=O)c2c(O)cccc2I)cc1"]
["163181626","CS(=O)(=O)Nc1cccc(I)c1C=O"]
["159316249","Nc1c(O)ccc(I)c1F"]
["172290726","O=Cc1c(O)ccc(C(=O)O)c1Br"]
["100997781","CC(C)C1=CC2=CC=C3C=CC=C[N+]3B2C=C1"]
["198167176","CC(C)C1=CNC2(C=C1)COC2.CC(C)C1CCC2(COC2)NC1"]
["180784985","CC(C(=N)O)C1=CCC(NS(O)(#I)c2ccccc2Cl)C=C1"]
["190429540","CC(C)C1=CCC/C=C/C=C1"]
["97675180","CC(C)C1=CC(=C(C#N)C#N)C=CC(N)=C1"]
["164151090","CC(N)C1=C/C=C\\C=C/C=C\\1"]
["48984154","Cc1cc(C)cc(C2=CC=CC3=CC(C(C)C)=CC32)c1"]
["59112101","CC(C)C1=N/C(=C2\\C=C(C(=O)O)C=CC2=O)NO1"]
["171224437","CC(C)C1=CC(O)(C(C)C)C(C(C)C)C(C(C)C)=C1"]
["54296691","CC(C)C1=CC=C/C(=C(/N)C(C)C)C1=O.CC(C)C1=CC=C/C(=C(/N)C(C)C)C1=O.[Cu]"]
["91462242","CC1=C2C=C(C(C)C)C=CC(C)=C2c2cc(C#N)c(C#N)cc2C=C1"]
["MCULE-1661940559","COc1cc(-c2ccc(C(C)C)cc2)ccc1C(O)=NOC1CCCCO1"]
["181590221","[N-]=[N+]=N[SH+]c1c[n-]c2cc(F)cc(F)c12"]
["MCULE-9215360236","Cc1cc(C)c(N=C(O)c2cc(F)cc(F)c2)c(-c2c(F)cc(F)cc2F)c1"]
["181937335","[N-]=[N+]=Nc1sc(-c2cncc(Cl)c2)cc1Cl"]
["183230356","CCC1NCC(c2cccc(F)c2)C1N=[N+]=[N-]"]
["183171228","[N-]=[N+]=NN=C(O)[C@@H]1[C@@H](c2ccc(F)c(F)c2)C1(Cl)Cl"]
["144581479","CC1=C=C[C](F)C(c2c(F)cc(F)cc2F)=C1"]
["75082510","O=C=CCc1cc(F)cc(F)c1O"]
["183332196","Cc1cc(N=[N+]=[N-])c(F)cn1"]
["99259975","C[C@H](NC(=O)[O-])[C@@H](O)c1cc(F)cc(F)c1"]
["183608338","[N-]=[N+]=Nc1cc(F)ccc1-c1c(F)cccc1F"]
["92323875","CC(C)(C)[C@@H](N)C(O)=Nc1c(F)cc(F)cc1F"]
["183597289","[N-]=[N+]=Nc1ncc(CO)cc1F"]
["149707396","O=PP(OC[OH2+])OCC(COCC(COCC(COOP(P)OC[OH2+])OOP(P)OC[OH2+])OP(OCO)P=O)OP(OCO)P=O"]
["167188128","OCOCC(O)C[OH2+]"]
["193789729","COC(CO)COP(=O)=O.C[N+](C)(C)CC[OH2+]"]
["91636001","C=CCC(COCOC)OC(OCC)C(=C)C"]
["3563345","CC(C)COC[C@H](C)N=C(O)N(C)[C@H](C)CS(C)(=O)=O"]
["171156179","C=C(C)C(=O)OC(CO)COCC(F)(F)C(F)F"]
["192512386","CNCOCC(COP(=O)=O)OP(=O)(O)O"]
["63926170","O=c1nc(O)c(F)cn1CC(COCO)OCO"]
["187461961","CCOC(=[OH+])CCOC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]"]
["101016337","CCCCCCCC(=O)OOCC(CO)OOC(=O)CCCCCCC"]
["47650822","N=c1cnn(C(CO)OC(CO)CO)c(O)n1"]
["178372460","[B+]C1CC(N[P](=O)OCC(O)COCCCCCCCCCCCCCCCC)C(CO)O1"]
["186670526","O=c1c2c(c1=O)[NH+](CC[P+](=O)O)CC(O)C[N-]2"]
["111641291","CSc1nc(C)nc(C)c1C(O)=NCC1CCC(O)C1"]
["186849408","C=C(CC(C[P+](=O)O)C1OC(C)O1)C(=O)O"]
["60682208","CC12CCC3C(C(=O)C=C4CC(O)CCC43C)C1CCC2=O.[Ac]"]
["67606070","CCCCCOc1cc(C(=O)OC2C[C@@H](O)C[C@@H](O)C2)cc(OCCCCC)c1OCCCCC"]
["161862663","CC[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]
["82624799","CC(C)(C)[N+]1(C(=O)[O-])CC(O)CC1CO"]
["10220771","C[C@H]1C(=O)CC[NH+](CCO)[C@H]1C"]
["179872278","O=C1CCC[NH+]1CCCS(=O)(=O)O"]
["162928272","Cc1ocnc1CN1CC(O)CC1=O"]
["19667932","O=C(O)CC[N-]c1c([NH+]2CCCC2)c(=O)c1=O"]
["74332125","C=C1C[C@@]2(CC)[C@@H](CC[C@]2(C)O)[C@@H]2CCC3=CC(=O)CC[C@]3(C)C12"]
["8409387","CCCc1nnc(S)n1CC([O-])=NCCCc1nnc2n1CCCCC2"]
["158565476","C[C@@H]1CCC[C@H](CN=C(O)N[C@H](C)c2nnc3n2CCC3)C1"]
["143417939","CN1CCN(C2CCCCN(CC(O)=NCCCOC3CCCCC3)C2)CC1"]
["22453677","CC(C)n1c(S)nnc1CN=C([O-])Cc1cccc(C(F)(F)F)c1"]
["13752603","COc1ccc(CCCN=C(O)NCC(=O)N2CCCC2)cc1OC"]
["130480416","CCOc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1"]
["7802161","CCn1c(S)nnc1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1"]
["49254926","Cc1ccc(-c2nnc(S)n2CCC(O)=Nn2cnc3scc(-c4ccccc4)c3c2=O)cc1"]
["142495569","CC(C)C(C(O)=NCc1nnc2n1CCCCC2)n1nnc(-c2ccccc2)n1"]
["124974811","Cc1nc(S)sc1CC(=O)N1CCN(C(=O)CC2CCCCC2)CC1"]
["50921609","Cc1ccc(NCCc2nnc3n2CCCCC3)cc1"]
["128365707","CCCCN=C(O)CN1CCCC1c1cccc(C)n1"]
["180800436","Br.NC(ON=CC1CCCC1)C1CCC(ON=CC2CCCC2)C1"]
["107939752","CO[C@H]1CCCC[C@@H]1OC(=O)/C=C/c1ccc(Cl)nc1"]
["140606160","OCCC(N=C(O)C=Cc1ccccc1)C1CCCCC1"]
["69708356","C#CC=CC1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1"]
["153398107","C(=N\\C1CC1)\\C1CCCCC1"]
["174237524","CO/N=C/C1CCCOC1"]
["163033602","CC(Cl)/C=C/C(C)C1CCCCC1"]
["179137136","CCC(N=C(O)c1cn(C)cc1C(C)C)C(CC)C1CCC(/C=N\\OC)CC1"]
["44700364","CCSCCCC(N)C1CCCCC1"]
["51558024","CC1CCCC(N(C)CC(N)C2CC2)C1"]
["111308851","C[C@H](N)c1ccc(Br)cc1OC1CCCCC1"]
["174619581","COC1CCC(C(CCC(O)=Nc2ncc(SCC(=O)O)s2)C2CCCC2)CC1"]
["175726532","O=CC1=c2c(c3cnncc3c3c2=C(C=O)N(C=O)N(C=O)C3C=O)C=NN1C=O"]
["103538982","CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1"]
["200086713","CS(=O)(=O)C1(c2cc(N3CC4CCC(C3)O4)nn3cncc23)CC1"]
["151705869","O=C(c1ccnnc1)N1CCN2C[C@@H](Oc3ccccc3)C[C@@H]2C1"]
["198274405","O=CC1c2cc(Br)cnc2CCN1Cc1cccnc1OC1CCCC1"]
["172599041","CN1CCC(Nc2ncc3oc(C#N)cc3c2C2CC2)CC1"]
["MCULE-5178806933","Cc1c(F)cc(F)cc1Cn1nc(C=O)c2c1CCC2C"]
["130933151","CCC1CCCN(C(=O)c2cnns2)C1"]
["163163260","NCC1=NN(C=O)C(=O)C1"]
["MCULE-4212913692","Cc1cc(-c2cnc(C#N)nc2)c(C)cc1N=C(O)c1cc(=O)c2ccccc2o1"]
["156981085","C[C@@H]1SCCS[C@@H]1c1ncc(C=O)cn1"]
["55230386","Cc1c2cnncc2cn1C"]
["32332976","COc1[14cH]c[14cH]c2oc3[14c]4c([14cH]c(OC)[14c]3c(=O)[14c]12)O[C@H]1O[14CH]=C[14C@H]14"]
["124090844","COc1ccccc1CC(C)N(C)C(=O)C1CC(=O)N(C)C1"]
["96819325","COc1ccccc1[C@H]1CC(c2ccccc2)=CC(=O)O1"]
["MCULE-4755023478","COc1ccc(-c2c(F)ccc(N=C(O)C3CC(=O)N(C)C3)c2F)cc1"]
["98199582","COc1cc(O)c2c(c1OC)C=CC[C@H](O)[C@H](O)C(O)C=CC[C@H](C)OC2=O"]
["14388265","COc1ccccc1[C@@H]1CCCN1CN1C(=O)C(=O)N(C[C@@H]2CCCO2)C1=O"]
["162440870","COc1ccc(C2CCC(C=O)O2)cn1"]
["53500314","COC1=C/C(=C/Nn2[nH]nnc2=N)C=C(I)C1=O"]
["19051489","COc1ccccc1CN(CC(=O)N(C)Cc1cnn(C)c1)C[C@H]1CCCO1"]
["65042246","CCCCCCCCCCCCCCCCCCCCCCOC(=O)O[P+](=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)nc2O)C[C@@H]1N=[N+]=[N-]"]
["1407267","COC1=CC(=O)O[C@@H](c2ccccc2)C1"]
["162167796","COC1OC(=O)C=C(Cl)C1=O"]
["183849343","[N-]=[N+]=NS(=O)(=O)N(NC(=S)C(N)=NSN=C(S)ON=C(O)OOC(=N)O)N(NC(=N)S)S(=O)(=O)NNC(=N)O"]
["181390616","CC(=O)Oc1nc(Sc2[nH]nnc2Sc2nn[nH]c2S#[N+]N=[N-])[n-]c1OC(=N)[O-]"]
["182952048","[N-]=[N+]=NS(=O)(=O)N(Cc1ccccc1S(N)(=O)=O)c1ccccc1"]
["181310707","CCCCCCN=C(S)Nc1ccc(-c2cccc(S(=O)(=O)c3cc(C(=N)N=[N+]=[N-])sc3SC)c2)c(C)c1"]
["182602475","CCCCCN(C(=O)O)S(=O)(=O)N=[N+]=[N-]"]
["182593331","[N-]=[N+]=NN=C(S)N(NC(=N)O)c1ccccc1"]
["79386006","CS(=O)(=O)N(NC(=N)S)S(C)(=O)=O"]
["183731125","CCOC(N=C(C)O)(OC)N(C)S(=O)(=O)N=[N+]=[N-]"]
["181665229","CN=C(O)NN(C(=O)N(N=[N+]=[N-])NC(=N)O)c1ccccc1"]
["182667663","[N-]=[N+]=NN=C(N=[N+]=[N-])N(NC(=N)N)C(=N)O"]
["181846232","[N-]=[N+]=NS(=O)(=O)N(Br)CCO"]
["182991582","[N-]=[N+]=NS(=O)(=O)N(S)N(O)O"]
["180567293","CC1=C(C=C[NH2+]CCCCSSCCCCN2C=CC3=C(C=c4ccc5c(c4)OCC[N+]=5C)CCCC3=C2)C(=Cc2ccc3c(c2)OCCN3C)CCC1"]
["131508706","Cc1ccc2c(c1)OCCN2C(=O)c1cccn1C1CC1"]
["77166198","CC1CC(C)C2N=C(O)C(C(c3nnnn3Cc3ccco3)N3CCN(c4ccccc4F)CC3)CC2C1"]
["31221741","CN1CCOc2cc(COc3nc4c([nH]c3=NS(=O)(=O)c3ccccc3Cl)CCCC4)ccc21"]
["34284461","CN1CCOc2cc(S(=O)(=O)NNC(O)=NC(C)(C(F)(F)F)C(F)(F)F)ccc21"]
["MCULE-3959287671","Cc1cccc(-c2cc(C(=O)N3CCCC(=O)c4ccccc43)c(F)cc2F)c1C"]
["127796150","COc1ccccc1C(C)CC(=O)N1CCOc2cc(C)ccc21"]
["184467238","CC(O)=Nc1ccc(S(O)(O)NCCCC2CC2(N=C(O)c2ccc(C(=O)CNCC3=CC(O)CC=C3)cc2Cl)C(=O)O)cc1"]
["MCULE-4681617765","COc1ccccc1CCC(O)=Nc1ccc2c(c1)OCCN2S(=O)(=O)Cc1cccc(C)c1"]
["141132712","Cc1ccc2c(c1)OCCN2C(=O)CC(C)NS(=O)(=O)c1ccc(F)cc1"]
["198853644","Cc1nn(CC2CC2)c(C)c1S(=O)(=O)N1CCOc2ccc(F)cc21"]
["MCULE-5198080355","CCC(O)=Nc1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(F)cc1"]
["196537654","C1=CC=Cc2c=1c1ncc(C[CH-]c3cc(CCc4cnc5c(c4)C4=C[N-]CN4C4=CC=C[C+]=C45)cc(CCc4cnc5c6c([n+]7c(c5c4)=C[N-][CH-]7)C=CC=C=6)c3)cc1c1[n+]2[CH-][N-]C=1.[Ir+3]"]
["57353074","CCCCCCCCCCC[CH-]c1ccc(CN2C3=CC=C[C+]=C3[N-]C2=C2[N-]C3=C=CC=CC3N2Cc2ccc(CCCCCCCCCCCC)cc2)cc1.[Li+].[Li+]"]
["150297205","COC1=CC(C)=C(CCc2cnc3c(N)nc4cc(/C=C(\\F)P(=O)(O)O)ccc4c3c2)C(C)C1"]
["183442850","Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(C(C)N=[N+]=[N-])cc3)cc12"]
["98660611","Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(CCCC(O)COC(=O)CCc4ccc(CCc5cnc6c(N)nc7cc(C)ccc7c6c5)cc4)cc3)cc12"]
["184304536","CNc1nc2cc(C)ccc2c2cc(CCc3ccc(C)cc3)cnc12"]
["170786837","COCc1cc(-c2nnc3n2N=C(OCc2ccc(C=O)cn2)C2=CC=CCC23)no1"]
["188071311","CCN1CCN=C1c1ccc(CCc2cc(C)cc(CCc3ccc(C4=NCCN4CC)cc3)c2)cc1"]
["200022799","C=C1Nc2ccc(Cl)cc2C12CCN(CCCc1cnc3c(N4CC(C)(C)C4)nccc3c1)CC2"]
["172210542","CC=C1C=CC=C(CC)[C-]1c1cnc2c3c(c4c(n12)=c1ccccc1=C[N-]4)C=CC=C=3.CN1C=CN(c2[c-]cccc2)C1.[Ir+3]"]
["190610825","COc1cc(OC)c(Cl)c(-c2cc3cnc(=Nc4ccncc4)nc-3n(Cc3cccc(CC(=O)/C=C/C[N+](C)(C)CC4=C([N+](=O)[O-])N=CC4)c3)c2O)c1"]
["98841619","Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(CCCCCCOC(=O)O)cc3)cc12"]
["178619398","N=c1ncc(=C2C[CH-][N-][C+](NC3CCC[Cl+]C3)[N-]2)c(=CC2CC2)[nH]1"]
["173534345","N=c1[nH]c(OC2CCC2)ncc1O"]
["159189278","Cc1cnc(N2CCC[C@@H](F)C2)[nH]1"]
["151484321","N=C(O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccnn2C2CCCC2)C1"]
["171370794","Cl.N=c1nc(O)cc(N2CCCC(N)C2)[nH]1"]
["114810818","Clc1cc(Cl)cc(-c2ncc(CNC3CC3)[nH]2)c1"]
["122455444","CCc1ncc(N=C(O)N2CCCC(C)C2C)cn1"]
["168455622","COc1ccc2nc(C3=C(O)CN(C4CCCCC4)C3=N)[nH]c2c1"]
["43289387","CC1CCCC(c2nccc(=N)[nH]2)C1"]
["48938184","OC(=Nc1ccc(F)cn1)C1CCC2CCCCC2N1"]
["73803022","CN[C@H]1CCCN(c2cnc(Cl)c(Cl)c2)C1"]
["195443033","CNC(=C(C=[NH2+])C(=O)N1CCCC2CCCCC21)c1cccc2ncccc12"]
["97640110","CC1=C(C)[N+]2=Bn3c[n+](c(C)c3C)[B+]N3[CH-][N+](=B[n+]4cn(c(C)c4C)[B+]N1[CH-]2)C(C)=C3C"]
["102966258","CC1=C(C)N(CCn2c[n+]([O-])c(C)c2C)CN1[O-]"]
["85340173","Cc1cc(-n2nc(C(C)(C)C)c(C(=O)O)c2Cl)nc(C)n1"]
["96999580","COn1c[n+](OC)c(C)c1C"]
["192460302","Cc1c(C)[n+](C)c(C(=O)[O-])n1C.Cc1c(C)[n+](C)cn1C"]
["164591257","Cc1c(C)[n+](C)c(C)n1C[C@@H]1C[C@H]1Cn1c(C)c(C)[n+](C)c1C"]
["48534975","Cc1cccc(-n2c(C)c(C)c3c2N=CN2N/C(=C4/C=CC=CC4=O)N=C32)c1C"]
["133407211","Cc1ncn(Cc2nnc(-c3ccc(Br)o3)o2)c1C"]
["159627336","Cc1c(C)[n+](C)c(C(CC(O)=[OH+])c2ccc(F)cc2Cl)n1[O-]"]
["156133623","Cc1c(C)[n+](C)c([C@H](CC(O)=[OH+])c2ccc(F)cc2Cl)n1[O-]"]
["96887720","Cc1sc2c3[s+]c(C)c(C)[n+]-3c3ccccc3n2c1C"]
["156133624","Cc1c(C)[n+](C)c([C@@H](CC(O)=[OH+])c2ccc(F)cc2Cl)n1[O-]"]
["173987564","C1=CC2=c3ccc4c5c3=C3C6=C7C8=C9C%10=C%11C%12C%13C%14C%15C%16C%17C(=CC%18OC%19CCCC%20C%21NC%22CCC%23OC%24C=C%25OC%26C=C(OC8C=C(N=C4)C75)C9N%12C%26C%14C%25C4C%15C5C%17C%18=C(C%19%20)C7C%21C%22C%23C(C%244)N75)OC4CC5OC7CC8OC(=C1)C2N3C8C(C7N%11C5C%13C4%16)N6%10"]
["174001874","c1ccc(B2C3=C(C4CCCCC4O3)N3C4=NC5NC6C7CCC(CC7)C6NC5N4C4CCCC5CCC2C3C54)cc1"]
["174319282","C=Cc1ccc(Oc2ccc(C3(c4ccccc4)C4C=CC=CC4C4C=CC(N(C5=CC6C7=C(CCC(N(c8ccc(F)cc8)c8ccc9c(c8)C(C8=CC=C(OC%10=CCC(C=C)CC%10)CC8)(c8ccccc8)C8C=CC=CC98)=C7)OC6C=C5)C5=CC=C(F)CC5)=CC43)cc2)cc1"]
["174001771","Cc1cc(C)c(C2CC3C(N=C4N3C3CCCC5CCC6B(c7ccccc7-c7ccccc7)C7CCC8C9CCCCC9OC8C7N4C6C53)C3C4CCCCC4OC23)c(C)c1"]
["175610589","C=C(OC)N(C)[C@@H](CC)C(=O)N1CC2(CC2)C[C@H]1C1=N/C(=C2/C=CC=c3cc(C4=CC=C/C(=C5\\C=NC([C@@H]6[C@H]7CC[C@H](C7)N6C)=N5)C=C4)ccc3=C2)C=N1.COC(O)=N[C@H](C=O)C(C)C"]
["150167512","CCC1CCN(CC(C=C(C)C)N=C(O)OC2CCCC2CCCCCc2nc3ccc4c(c3[nH]c2=O)OC(F)(F)O4)C1C(=O)C(C)C"]
["83022554","COc1c(C)c(OC)c2c(c1O)C1NC(C2)C(C#N)N2C(CNC(=O)c3ccc4cc(OCCCCN)ccc4n3)c3c(O)c(CO)c(C)c(OC)c3CC12"]
["174034371","CC(C)C1NCNC2C(C)OC3CCCC(F)C3C3NC4C(CC3F)C(C3C5C6CCC(C[C@@H]53)N6)N=C(O)N4C12"]
["170842422","CC1CCCC2=C1N(C1CC(N3C4=C(C=CCC4)C4CCC=CC43)C(C#N)CC1C1NC(C3CC=CCC3)NC(C3CCCC4OC5=CC=CCC5C43)N1)C1C(C)CCCC21"]
["178857498","C1=CC2CC=C(c3cccc(C4C=C(C5=CNCC=C5)C5C=CC6=C(NC(c7cc(-c8ccccc8)cc(C8CC(C9C=NC=CC9)C9C=CC%10=C(NC(c%11cccc(-c%12ccc%13ccccc%13c%12)c%11)C=C%10C%10=C[N-]CC=C%10)C9=N8)c7)C=C6C6CC=CNC6)C5N4)c3)CC2C=C1"]
["188157917","C1=CC2=c3ccc4c5c3=c3c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19n%20c%21c%22c%23c(oc%24cc%25oc%26cc%27c(c(c%26n%11c%25c%13c%24c%23c%14c%17%21)n6%10)n3C2C(=C1)O%27)=CC1Oc2cccc3c2C(=C%221)C%20c1c-3[nH]c2ccc(c-%19c12)OC%18C=C%16OC1C=C(OC8C=C(N=C4)C57)C9N%12C%151"]
["178777295","C1=CC(C2N=C(c3ccc4c5c(oc4c3)CCCC5)NC(C3CC=CC4OC5C=C(c6cccc7c6C6C=CCCC6N7C6=CCCC=C6)C=CC5C43)N2)=CCC1"]
["79526053","C[Si](C)(C)O[C@]1([Si](C)(C)C)[C@@](O[Si](C)(C)C)([Si](C)(C)C)[C@](C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)O[C@]1(n1c([Si](C)(C)C)nc2c(N([Si](C)(C)C)[Si](C)(C)C)nc([Si](C)(C)C)nc21)[Si](C)(C)C"]
["186448781","COCCn1c[nH+]c2c(c1=O)c1nc3ccccc3nc1n2/N=C\\c1ccc(C(C)(C)C)cc1"]
["33688120","COCn1cnc2c(Cl)nc([Si](C)(C)C)nc21"]
["31800813","CO[C@@H]1COCC[C@@H]1N[C@@H]1C=C[C@@]2(C1)C(=O)N1C(C2C)[C@@H]2C[C@H]1CN2c1cncc(C(F)(F)F)n1"]
["74610555","CC1=CC(=NOc2ccccc2)C(Cl)=CC1=O.CC1=CC(=O)C(C(C)C)=CC1=NOC(=O)C(C)(C)C.CCON=C1C=C(C(C)C)C(=O)C=C1C"]
["48693856","CC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(OC(CO[Si](C)(C)C)n1cnc2c(N[Si](C)(C)C)ncnc21)O[Si](C)(C)C"]
["52125311","C[Si](C)(C)OP(=O)(OC(=C(F)F)C(F)(F)F)O[Si](C)(C)C"]
["198685654","COCC(CO)(OC[C@H]1O[C@H](c2ccc3c(N(C(=O)OC(C)(C)C)C4CCCC4)nc(Cl)nn23)[C@@H]2OC(C)(C)O[C@@H]21)P(C)(C)=O"]
["187000767","CCOP(=O)(OCC)C(CO)(COC)OC[C@H]1O[C@H](c2ccc3c(N(C(=O)OC(C)(C)C)C4CCCC4)nc(Cl)nn23)[C@@H]2OC(C)(C)O[C@@H]21"]
["190684184","CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ncn(C[C@H](O)CP(C)(C)=O)c2n1"]
["59495958","C=C(C)OP(=O)(OCN(c1ccc2c(n1)N=C(O)C(C)(C)O2)c1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1F)OC(C)(C)C"]
["34042967","CNc1nc(Cl)nc2c1ncn2CC(CO)COP(=O)(OC(C)(C)C)OC(C)(C)C"]
["168440354","B#[P-]1(C(C)(C)C)CCOC2/C=C\\C=C/C(/C=C\\2)OCCP(=[B+])(C(C)(C)C)CCP(=[B+])(C(C)(C)C)CCOC2/C=C\\C(/C=C/C=C/2)OCC[P-](#B)(C(C)(C)C)CC1"]
["188211820","CNCC(C)(C)COCC(C)(C)CN=C(O)OCC1[C@H]2CC/C=C\\CC[C@@H]12"]
["180964053","CC(C)(S)C1C=CC=CC1"]
["129880302","CCC(CC)(CN=C(O)OC(C)(C)C)N=C(O)c1sccc1COC"]
["97565750","C1=CC2/C=C\\C=C/C1OO2"]
["12112485","CC(C)(C)c1noc(CNc2ccccc2OC[C@H]2CCCCO2)n1"]
["MCULE-5230350269","Cc1ocnc1C(O)=NC1CCC(N=C(O)OC(C)(C)C)CC1"]
["101001259","CC/C(=N\\[C@H](COC)C(C)(C)C)C1C=CC=C1"]
["158531624","C[C@H]1OCCN(C(=O)Cn2cnnc2O)[C@@H]1C(=N)O"]
["55865980","CC1=C[C@H](C)C2(COC(C[NH+]3CCOCC3)OC2)[C@@H](C)C1"]
["96663522","O=C(OCC1CO1)C1C=CC=C1"]
["179530339","COCC1CC[C@@H](N=C(O)OC(C)(C)C)CO1"]
["171984866","C1=C(OC2=C=c3c(c4cccc[c-]4[n+]3=c3cccc[n-]3)C=C2)C=CC2=c3ccccc3=P(=c3cccc[n-]3)C=12.[Pt+2]"]
["172917888","Cc1cc[n-]c(=[n+]2c3c(c4cccc[c-]42)C=CC(OC2=C=C(C4=C[N-]C(C5=C=C(OC6=C=c7c(c8cccc[c-]8[n+]7=c7cc(C)cc[n-]7)C=C6)C([C-]6CN(C)C=N6)=C=C5)=C[N-]4)C=C=C2C2=NC=[N+](C)C2)=C=3)c1.[Pd+2].[Pd+2]"]
["194559383","CC(C)(C)C1=C=C(Oc2[c-]c(N3CN(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)C=C3c3ccccc3)cc(C(C)(C)c3ccccc3)c2)[C-]=c2c1c1cccc[c-]1[n+]2=c1cc(C(C)(C)c2ccccc2)cc[n-]1.[Pt]"]
["194810153","Cc1cc(C(C)(C)C)ccc1-c1cc(-c2[c-]c(OC3=C=c4c(c5cc(C(C)(C)C)cc[c-]5[n+]4=c4cc(C(C)(C)C)c(C(C)(C)C)c[n-]4)C=C3)ccc2)ncc1C.[Pt+2]"]
["194584226","CN1CN(c2[c-]c(OC3=C=C(c4ccccc4)c4c([n+](=c5cc6c(c[n-]5)c5ccccc5n6C)[c-]5ccccc45)=[C-]3)cc(C(C)(C)C)c2)c2ccc(-c3ccccc3)cc21.[Pt]"]
["172048307","CC1(C)C2=CC=C[N-]C2=[n+]2c3c(c4cccc1[c-]42)C=CC(Oc1[c-]c(-c2ccccn2)ccc1)=C=3.[Pt+2]"]
["172504697","CC(C)[Si-]1(C(C)C)=c2cccnc2=[n+]2c3c(c4cccc1[c-]42)C=CC(Oc1[c-]c(P(=O)(c2ccccc2)c2ccccc2)ccc1)=C=3.[Pd+2]"]
["184778931","CSc1nn(-c2[c-]c(OC3=C=c4c(c5cccc[c-]5[n+]4=c4cc(C)cc[n-]4)C=C3)ccc2)c(SC)c1-c1c(C)cc(C)cc1C.[Pd+2]"]
["172215091","CC1(C)c2ccccc2Sc2c[c-]3c(cc21)c1c([n+]3=c2cccc[n-]2)=C=C(OC2=C=C3c4nccn4C4C=CC=C=C4[C-]3C=C2)C=C1.[Pt+2]"]
["172908588","Cc1cc(C)c(O)c(-c2cccc(=[n+]3c4c(c5cc(C)cc[c-]53)C=CC(c3ccccn3)=C=4)[n-]2)c1.[Pt]"]
["184752101","[C-]#[N+]c1cc(C)c(-c2cnn(-c3[c-]c(OC4=C=c5c(c6cccc[c-]6[n+]5=c5cc(OC)cc[n-]5)C=C4)ccc3)c2)c(C)c1.[Pt+2]"]
["198137850","Cc1cc(C(C)(C)C)cc(C)c1-c1cc[c-]2c(c1)c1c([n+]2=c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)ccn3)[n-]2)=C=C(c2ccccc2O)C=C1.[Pt]"]
["164467133","O=C(O)c1ccc([N+](=C2C=CC(=C3C=CC(C4=C5C=CC(c6ccccc6)=[N+]5[B-](F)(F)n5c4ccc5-c4ccccc4)=[S+]3)C=C2)c2ccc(C3=[S+]C(=C4c5ccc(-c6ccccc6)n5[B-](F)(F)n5c4ccc5-c4ccccc4)C=C3)cc2)cc1"]
["27364361","O=C(OCCC(F)(F)F)c1ccc(C(=O)c2ccccc2)cc1"]
["175112192","CC(N=C(O)c1c(Nc2cccc(-c3ccccc3)c2)c2ccccc2n1C)c1ccc(C(=O)O)cc1"]
["67753213","O=C(c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1)c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1"]
["4290773","CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1"]
["97203060","C[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@@]1(C)CC(=O)c1ccccc1"]
["22657459","O=C(O)c1ccc(C=NN=C(O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1"]
["76312457","CC(NC(=O)C(=O)c1cc(F)cc(F)c1)C(O)=NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O"]
["75846058","O=C(O)c1ccc(OC2(c3ccccc3)C=CC(=C3C=CC(Oc4ccc(C(=O)O)c(C(=O)O)c4)(c4ccccc4)C(c4ccccc4)=C3)C=C2c2ccccc2)cc1C(=O)O"]
["MCULE-6266539110","COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)C1c1ccc(Br)cc1"]
["MCULE-8339503080","O=C(c1ccc2c(c1)OCO2)N1CCC(N=C(O)CCn2c(-c3ccccc3)cc3ccccc32)CC1"]
["7976494","O=C(c1ccccc1)c1ccc(N=C(O)C2CC2)c(N=C(O)C2CC2)c1"]
["173974341","[B]=c1[cH-]c(=[B+])[c-]2c(=O)c3c(n4c5c(=[B+])c6c(c(=[B+])c5[c-]([O-])[c-]1[c-]24)[c-]([O-])[c-]1c(=[B+])[cH-]c(=[B+])[c-]2c(=O)c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4n6[c-]21)C([B+])C(=[B+])C3=[B+]"]
["174032045","[B+]=c1c(=[B+])c(=[B+])c2c(c1=[B+])c1c(n2-c2ccccc2[C-]2[N-][C-](c3ccccc3-n3c4c(c5c(=[B+])c(=[B+])c(=[B+])c(=[B+])c53)=C[CH-][CH-]C=4)[N-][C-](n3c4c(c5c(=[B+])c(=[B+])c(=[B+])c(=[B+])c53)=C[CH-][CH-]C=4)[N-]2)=C[CH-][CH-]C=1"]
["175810987","[B]=c1[cH-]c(=[B+])[c-]2[n-][c-](C)n(C3C(O)=NC(=O)C4([B+])[B+]C34[B+])c(=O)c-2c1N"]
["149950641","[B+]=c1c2c3c(c(=[B+])c(=[B+])c4c([O-])n(C)[c-]([O-])c(c1=[B+])c43)=C([O-])C2"]
["174101947","[B+]=C1C(=[B+])[C-](O)C(=[B+])c2c1n(-[c-]1[cH-][cH-]c3c([cH-]1)c1c(=[B+])c(=[B+])c(=[B+])c(=[B+])c1n3[C-]1[CH-][CH-][CH-][C-](C(C)(C)C)[CH-]1)c1c(=[B+])c(=[B+])c(=[B+])c(=[B+])c21"]
["173905635","[B+]=c1c(O)c(O)c2c(c1=[B+])c1c(Cl)[cH-][cH-]c3c4[cH-][c-]5c(cc4n2c31)c1[cH-][cH-]c(Cl)c2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3n5c12"]
["176583325","[B]=c1[cH-][c-](C[C@H](N=C([O-])CCC(=O)O)C([B+])C(C)[O-])[cH-]c(=[B+])[c-]1C1C(=[B+])C(=[B+])C(O)C(=[B+])C1=[B+]"]
["174087454","[B+]=C1C(=[B+])[C-](Br)C(=[B+])c2c1n(S([O-])([O-])c1c[cH-][c-](C)[cH-][cH-]1)c1c(=[B+])c(=[B+])c(=[B+])c(=[B+])c21"]
["175355625","[B]=c1c(=[B+])c(=[B+])c(O)c2[c-]1[c-]1c(=[B+])c(=[B+])c(=[B+])c3ooc4c([O-])c5[c-](c([O-])c4n2c3-1)N1[C-]2C(=[B+])C(O)=C([O-])C(O)[C-]2C2C(=[B+])C(=[B+])C(=[B+])C(=[B-]=5)C21"]
["174096814","[B+]=C1C(=[B+])[C-](Br)C(=[B+])c2c1n([C-]1[CH-][CH-][CH-][CH-][CH-]1)c1c(=[B+])c(=[B+])c(=[B+])c(=[B+])c21"]
["174355231","[B+]=c1c(=[B+])c(=[B+])c2c(c1=[B+])c(=[B+])c(=[B+])c1obc(OC)[c-]3[cH-][cH-][cH-][c-](Br)[c-]3c12"]
["174097506","[B+]=c1c(=[B+])c(=[B+])c(=c2c(=[B+])c(=[B+])c3c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4n(-[c-]4[cH-][cH-]c([C-]5[CH-][CH-][CH-][CH-][CH-]5)c(N([O-])[O-])[cH-]4)c3c2=[B+])c(=[B+])c1=[B+]"]
["178106023","C=C/C(C)=C\\C(=C/C)c1ccc2[nH]nc(-c3nc4nccc(/C(C)=C/C=C(C)C)c4[nH]3)c2n1"]
["180246035","C=C/C(=C\\C(=C/CC)c1ncc2[nH]nc(C3=Nc4c(ccnc4N4CCN(C)CC4)CN3)c2c1F)N=C(O)CC"]
["150545718","C=c1c(-c2nc3nccc(-c4cccc(F)c4)c3[nH]2)n[nH]/c1=C/C=C(\\C)c1cncc(N2CC(N)C2)n1"]
["176464741","N/C=C(\\C=C(/C=C1CC1)CNCC1CCCC1)c1ccc2[nH]nc(-c3nc4c(-c5ccccn5)nccc4[nH]3)c2n1"]
["145269283","CC(C)(C)CC(O)=Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2F)c1"]
["200261257","C=S1(=O)CCCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)nn(C)c2=O)CC1"]
["181143508","Cc1c(-c2ccco2)ccc2c(C(=O)O)ccnc12"]
["148693829","CCCC(C)(CO)Nc1nc(=N)[nH]c2cccnc12"]
["165240230","C=C/C=C(\\C=C/N(C)Cc1cc2cc(F)ccc2[nH]1)c1ccnc(NC2CCCCC2)n1"]
["193572998","Cc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N=C(O)c7ccccc7)c6)nc45)cc23)c1"]
["150526086","Cc1cn(-c2ccnc3nc(-c4n[nH]c5ccc(-c6ccncc6)nc45)[nH]c23)cn1"]
["155290807","Clc1ccc(C2=C[C@H](c3nc4c(Br)ccnc4[nH]3)ON2)cc1"]
["172135705","[2H]c1cc([2H])c(N(c2c([2H])c([2H])c3c(c2[2H])C(C)(C)c2c([2H])cc([2H])c([2H])c2-3)c2c([2H])cc3c([2H])c([2H])cc4c3c2-c2cc([2H])c([2H])c([2H])c2C4(C)C)c([2H])c1[2H]"]
["171451478","[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc(-c5cccc6ccccc56)cc4)c4c([2H])c([2H])c([2H])c(-c5cccc6ccccc56)c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]"]
["197706979","[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c(-c4cc(-c5c([2H])c([2H])c6c([2H])c([2H])c7c([2H])c([2H])c([2H])c8c([2H])c([2H])c5c6c78)c5c(c4)C(C)(C)c4ccccc4-5)c4c([2H])c([2H])c(c1[2H])c2c34"]
["196480209","[2H]c1c([2H])c([2H])c(-c2c([2H])c(C(C)(C)C)c([2H])c([2H])c2N(c2cc(C)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c2)c2cc3cc4c(cc3s2)C(C)(C)CCC4(C)C)c([2H])c1[2H]"]
["198392609","CC1(C)c2ccccc2-c2c(-c3c(-c4ccccc4)cccc3N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)cccc21"]
["197690730","CC1(C)c2ccccc2-c2c(-c3ccc4cc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)ccc4c3)cccc21"]
["195669385","COB([OH2+])c1cccc2c1-c1ccccc1C2(C)C"]
["199785922","[2H]c1cc([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c(-c4cc([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c(-c3c([2H])cc([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C43c4c([2H])c([2H])c([2H])c([2H])c4-c4c([2H])c([2H])c([2H])c([2H])c43)c2[2H])c([2H])c1[2H]"]
["171451254","[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4cccc(-c5ccccc5)c4)c([2H])c3[2H])c3c([2H])c([2H])c([2H])c(-c4cccc5ccccc45)c3[2H])c([2H])c2[2H])c([2H])c1[2H]"]
["175887841","CN(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)C(C)(C)c1cc(-c3cccc4ccccc34)c3ccccc3c1-2"]
["187317027","CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c(cc4c3)C(C)(C)c3ccccc3-5)ccc21"]
["200097542","[2H]c1c([2H])c([2H])c(-n2c(-c3ccc(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5c([2H])c([2H])c6c(c5[2H])C(C)(C)c5c([2H])c([2H])c([2H])c([2H])c5-6)c5c([2H])c([2H])c([2H])c([2H])c45)cc3)nc3ccccc32)c([2H])c1[2H]"]
["176391833","CCN1C=CN(CC)C1=C1C2=NC(=C(c3n(CC)cc[n+]3CC)C3=NC(=C(c4n(CC)cc[n+]4CC)C4(C)CC=C(N4)C(c4n(CC)cc[n+]4CC)=C4C=CC1=[NH+]4)C(C)C3)C=C2"]
["148670121","CCCn1c(Oc2ccc(S(N)(=O)=O)cc2)nc2c(c1=O)NC(C1CCCC1)=CCC2C"]
["102961830","CN1NNC2=C1C1=NC2=C(c2ccccc2)C2=NC(=C(c3ccccc3)C3=NC(=C(c4ccccc4)C4=NC(=C1c1ccccc1)C=C4)C=C3)C=C2"]
["185527195","C[C@H]1[C@@H](CCO)OC(=O)N1C1=NC(N)(N2CCOCC2)NC(c2cncnc2C(F)(F)F)=C1"]
["175290614","CC1(C2=CC3c4ccccc4S4(CCCC4)c4ccccc4NC3C=C2)C=C2C(=CC1)c1cc3c(cc1S2(C)C)S(C)(C)c1cc(-c2ccc(N4c5ccccc5S5(CCCC5)c5ccccc54)cc2)ccc1-3"]
["103019853","CC[C@H](C)CC1C2=CN=C1C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1"]
["25840130","CN1C=CC(C2=C3C=CC(=N3)C(C3=CCN(C)C=C3)=c3ccc([nH]3)=C(C3=CCN(C)C=C3)c3ccc([nH]3)C(Cl)(c3ccccc3)C3(Cl)C=CC2=N3)=CC1"]
["145229344","O=P(=O)Oc1ccc(C2=C3C=CC(=N3)C(c3ccc(OP(O)O)cc3)=C3CCC(=N3)C(c3ccc(OP(O)O)cc3)=C3C=CC(=[NH+]3)C(c3ccc(OP(=O)=O)cc3)=C3C=CC2=[NH+]3)cc1"]
["147801411","FC(F)(F)C1C2=CN=C1/C(c1ccccc1)=C1/C=CC(=N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C(\\c1ccccc1)C1=N/C(=C\\2c2ccccc2)C=C1"]
["48974118","COC(=O)c1ccc(C2=C3C=CC(=N3)C(c3ccc(C(=O)OC)cc3)=c3ccc(n3C)=C(c3ccc(C(=O)OC)cc3)c3cc(cn3C)C(c3ccc(C(=O)OC)cc3)=C3C=CC2=[NH+]3)cc1"]
["34183778","COC(=O)C(C(=O)OC)[C@@H]1C2=NC(=C(c3ccccc3)C3=NC(=C(c4ccccc4)C4=NC(=C(c5ccccc5)C5=NC(=C2c2ccccc2)C=C5)C=C4)C=C3)[C@H]1N([O-])[O-].[Ni+2]"]
["102993317","C1=CC2=C(c3ccccc3)C3=NC(=C(c4ccccc4)c4ccc([nH]4)C(c4ccccc4)=C4C=CC(=N4)C(=C4C=CN(CCCC[n+]5ccc(-c6c7ccc([nH]7)c(-c7ccccc7)c7nc(c(-c8ccccc8)c8nc(c(-c9ccccc9)c9ccc6[nH]9)C=C8)C=C7)cc5)C=C4)C1=N2)C=C3"]
["73997109","CN(C)C1CCP(N=P(N=[P+]2CCC(N(C)C)C2(N(C)C)N(C)C)(N=[P+]2CCC(N(C)C)C2(N(C)C)N(C)C)[N-]P2CCC(N(C)C)C2(N(C)C)N(C)C)C1(N(C)C)N(C)C.[OH-]"]
["147894810","CN(C(O)=NCc1ccc2c(c1)CC(C)(C)O2)C1CCS(=O)(=O)CC1"]
["93228422","Cc1ccc(N=C(O)CC2CCCNC2)cc1N(C)C"]
["137700533","CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)CC1CCOC1"]
["60993123","CN(C)P(c1sc2ccccc2c1P1CCCC1(C)C)N(C)C"]
["17976426","C[C@@H](OC[C@@H]1CCCCO1)C(O)=NCCCN(C)c1ccccc1"]
["159355353","CN(C)[C@@H]1CCN(S(N)(=O)=O)c2ccccc21"]
["50103236","CCCOC(O)=N[C@@H]1CCN(C2=NC(=C3C(=O)C=CC=C3F)Nc3cc(C)ccc32)C1"]
["106064165","Cc1cccc([C@H](CN)N2CCC[C@@H]2CN(C)C)c1"]
["129945085","CC1CC(c2cccnc2)N(S(=O)(=O)CC2CCOC2)C1"]
["106366938","Cc1ccc([C@H]([C@@H]2CCCN2)N(C)C)c(C)c1"]
["185778081","CN(C)C1(Cc2cccc(Cl)c2)CCC([NH-])CC1"]
["171066730","FC(F)(F)Oc1cc(CNCCCCOCCNc2cc(-n3cnnc3)cc3[nH]ncc23)cc(Cc2cnn(PI)c2)c1"]
["82792840","Cl.FC(F)(F)Oc1cc2c(c(CNC3CCCNC3c3ccccc3)c1)OCC2"]
["MCULE-1516768934","CCn1cc(-c2ccc(C(=O)N3CC4CCCC4C3)c(OC(F)(F)F)c2)cn1"]
["29402799","COCC(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)(c1ccc(F)cc1)N1CCNCC1"]
["MCULE-7064719519","CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc2[nH]ncc2c1"]
["124191687","CC(c1cnn(C)c1)N(C)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1"]
["28284139","CCn1cc(-c2cccc(OC(F)(F)F)c2)c2cc(CNC(C)c3ccccc3)ccc21"]
["133593657","COCCNc1ccccc1CN=C(O)CCc1cccc(OC2CCCC2)c1"]
["55059674","COCCCCNCc1cn(C)nn1"]
["173304453","CCCCN1CCN(CCCNCc2cccc(COc3ccc(CN)cc3)c2)CC1"]
["114123401","OCc1cccc(CNCCOCC(F)(F)F)c1"]
["174320063","CC(C)(C)OC(O)=NCCCCOCCNc1cc(/C(=C/N)SN)cc2[nH]ncc12"]
["150610629","NSB1CCCCCCCB1S"]
["75064034","C1CCC1.N=C(N)S"]
["74517219","C1CCCCC1.N=C(O)N=NO"]
["173897292","N[B]C1CCCCCCCCCC1"]
["46055685","C1CCCC1.CN"]
["162809064","CCNB1CCCCCC1"]
["161837800","CC1(SN)CCCCC1"]
["110846410","CC(C)B1CCCC1"]
["188951874","C/C1=C/CCB(S)B(SN)CCC1"]
["60079281","C1CCCCCC1.NN=C(O)NN"]
["173562736","NB1CCCCO1"]
["77335770","CCC=C1CCCCCB1OC"]
["78532101","N=PP=[P+]=[P-]"]
["161621300","COCOCP=[P+]=[P-]"]
["174568520","N=PO.[H-].[Na+]"]
["183887395","N=PC(N)=[NH2+]"]
["78954214","N=PNPN"]
["51664165","[3H]C(=C)P=N"]
["78548111","CS(#P)=[P+]=[P-]"]
["79263954","N=P[S]"]
["79582486","[NH]P=N"]
["66912904","N=P[SeH]"]
["78554690","C=C[C@@H](C)OP=[P+]=[P-]"]
["68230743","[3H]CP=N"]
["156244896","B/C(BBC1OC2OC(B)C(B)OC2OC1B)=C\\O"]
["101803720","B[C@@H]1O[C@H](CO)C(O)(O)[C@H]1C"]
["172304213","CC1(C2=CC(N=CO)C=Nc3ccccc32)C=CC=CC1=O"]
["79648841","B[C@@H]1O[C@H](CC)C(O)[C@@H]1[C@H](C)C(O)=NC"]
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["176455855","[CH-]=CC=C=C([N-]C(=N)C1[C-]=CC=C(C(F)(F)F)I=C1)[N-]C1=CC(=C2C=CN=N2)NC=C1.[Li+]"]
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["42675083","[3H]B(I)SB([3H])I(SB([3H])I(S[B-]([3H])=IS)[B-]([3H])=IS)B([3H])I(S[B-]([3H])=IS)[B-]([3H])=IS"]
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["179987723","CC1=C=NSC=N1"]
["187007353","C[C]1C=C=NS1.[Al]"]
["78132321","B1=NC=CCS1"]
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["25550972","C1=CS[N]CC1"]
["180272370","CCC1=NSN=C=C1"]
["179454180","C.[NH-][C-]=C1C=C=NS1.[U+2]"]
["177038267","[Pm].[S-]CCCC(CCCS)c1cc(S)c2c(c1)C=S1C3CCCCC3S3#S1(OC1=C=CC(S)=CC1C=3)O2"]
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["174487040","Brc1ccc2ccc3cccc4ccc1c2c34.C1=CCc2c3c(ccc2=C1)=C1CCC=CC1=CC3"]
["177674509","Cc1ccc2ccc3c(CCS)ccc4ccc1c2c43"]
["195643833","C#[N+]c1ccc2ccc3cccc4ccc1c2c34"]
["175523976","CC.CC.OB(O)c1ccc2ccc3cccc4ccc1c2c34"]
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["149800769","CN1C2CCC(C2)C1c1nc2c(ccc3cc(Br)ccc32)[nH]1"]
["157872078","Nc1ccc(O)nc1Br"]
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["100181468","C(=Cc1ccc2ccc3cccc4ccc1c2c34)c1cc(-c2cccs2)sc1-c1cccs1"]
["79578824","[118Co]"]
["79495320","[170W]"]
["91500953","C[Te][Te]"]
["175797244","[Cd].[Hg].[Se]=[Te]"]
["32983867","[124Te]"]
["175797234","[Hg].[Se]=[Te]"]
["78129232","[Bi].[Se]=[Te]"]
["175672216","[177Pt]"]
["175671505","[108Ru]"]
["175698910","[In].[Se]=[Te]"]
["78109852","[Cd].[Se]=[Te]"]
["175797240","[Hg].[Se]=[Te].[Zn]"]
["192545386","Cc1c(/C=C/C=C/C(C)(C)C)sc(/C=C/c2c(C)c(C)c(/C=C/C(C)(C)C)c(C)c2C)c1C.Cc1c(/C=C/C=C/C(C)(C)C)sc(/C=C/c2sc(/C=C/C(C)(C)C)c(C)c2C)c1C"]
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["175910209","[SiH3]N([SiH3])[SiH2]N([Si](I)(I)I)[Si](I)(I)I"]
["181032261","[O-][Si]([O-])(Br)I"]
["178139871","[SiH3]N([SiH3])[SiH2]NC1CCCCC1N[SiH2]N([SiH3])[SiH3]"]
["96856935","[SiH3]N([SiH3])/[SiH]=[SiH]/N([SiH3])[SiH3]"]
["176295977","[SiH3][Si](Cl)(Cl)I"]
["187294944","[SiH3][SiH2]N([SiH3])[SiH3]"]
["176295978","[SiH3][Si](Cl)(I)I"]
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["25035443","CC[SiH2][Si](I)(I)I"]
["90934637","[Si]#[Si][Si](I)(I)I"]
["145521458","CCCN(CCC)[Si](I)(N(CCC)CCC)N(CCC)CCC"]
["182234025","IC(I)[SiH2]CC[Si](I)(I)I"]
["197094740","O=[P+]1OCc2occc2O[P+](=O)O/C=C2\\CC(=CO2)O1"]
["8858186","O=C(NN=C(O)[C@H]1COc2ccccc2O1)c1ccco1"]
["67556093","CN(CC(=O)c1ccco1)C1CCNCC1"]
["31088105","CN1CCC(Oc2cccc(Br)c2Br)c2ccoc2C1.Cl"]
["49750603","Cc1ccc(C(=O)N2CCOc3ccccc32)o1"]
["9037573","CC(=O)CCc1ccc(OCCC(O)=N[C@H]2CCCc3occc32)cc1"]
["78664681","O=[AsH](O)O.c1ccc2c(c1)Cc1ccccc1O2"]
["90918611","CC(C)Cc1ccc(C(=O)CCC(O)=NN=C(O)C2COc3ccccc3O2)cc1"]
["51295162","Cc1ccc([C@H]2SCCN2C(=O)c2ccco2)s1"]
["161843287","O=C1Cc2ccc3occc3c2NC1=O"]
["155767740","CC(O)=Nc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1"]
["155765186","O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)c(O)cc12"]
["91254280","[Pb+2].[Pb+2].[S-]CSC(SC[S-])C(SC[S-])SC[S-]"]
["171450772","CCO[Si](OC)C(C)SCC(=O)O"]
["79036913","CC[N+](CC)(CC)C(C)OC.[Br-]"]
["154946271","CCS[C@@H](C)C(C)=O"]
["149732882","CCSC(N)NN"]
["51376972","COC(=O)CSC(C)C(C)=O"]
["99699686","C=CC[S-].[Mo]"]
["133168881","CC(SCCOCC(F)(F)F)C(=O)N(C)C"]
["172470447","[CH2]CS[S-].[Sn+]"]
["185385229","CC(C)CCS[NH-]"]
["172861175","CCS[P+](O)(O)O[O-]"]
["124822425","CC(=O)C(C)SCC(=O)N(C)C(C)CC(C)C"]
["171870824","C=C=C=[S+]C1CC2CC(N)CCC2C(C)C1[N-][N-]C1CCC2C(C)CC(S[C-]=C=C)CC2C1"]
["176321908","CC1OC(=O)C2CC3C[C@H](N)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)C12"]
["184606369","CC1CCC2CC3C2C2C1C(C)C(C)C32"]
["150324166","CC1CC(C2NCCC2C2C=[N+]3C(CNC3C3OC3N)C2)CCC1F"]
["99136526","CC(=O)[C@H]1[C@@H]2CC[C@@H](N)C[C@H]2C[C@H]2C(=O)O[C@H](C)[C@@H]12.CCC(=O)OCl"]
["197184667","CC1CCC(N)CC1CC1CC=CC1"]
["180521368","CC1CC(C)C2CC(CC2C)C2CCC2CC1C"]
["157782938","C[C@@H]1OCC[C@@H]1S[C@H]1CC[C@@H](N)C1"]
["107119702","CC1(C)CC[C@H]2C[C@H](N)CC[C@@H]2C1"]
["67934246","C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](N)CC[C@H]3[C@@H](C(=O)N(c3ccccc3)c3ccccc3)[C@H]12"]
["76008064","C=CC(=C1CC=CC(=C=C(Cl)Cl)C1C)[N+](=O)[O-]"]
["197190328","CC1CCC(C2CC(N)CCC2C)CC1"]
["179436379","CON=C(O)C(I)ON=C(O)CON=C(O)C(I)ON=C(O)CON=C(O)C(C)ON=C(O)CON=C(O)C(I)OC"]
["114153712","COCC(O)=NCC(O)C(=N)O"]
["68234508","CCN=C(O)[C@H](C)OC(=O)CCc1c(C)nc(SC)nc1C"]
["11077937","CSc1nc2nc(C)c(CC(O)=N[C@@H](C)CCCC(C)C)c(C)n2n1"]
["MCULE-4888552542","COc1ccc(C(C)N=C(O)c2c(C)c(O)nc3ccccc23)cc1"]
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["18570940","COC[C@H](C)N=C(O)C[n+]1cccc(C)c1"]
["163023047","COCC(O)=NC(C)C(C)N"]
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["9482448","COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(O)=NC(O)=NC(C)C"]
["161770348","C1PC2PC12"]
["97907814","FC1CP1"]
["53397329","CC(C)(C)C1PPC(C(C)(C)C)P1"]
["26356651","C1CC2CCCC(C1)P2"]
["177523504","C1PP2CC12"]
["108915809","C1CC[C@H]2CC[C@H](C1)P2"]
["97010454","c1ccc2c(c1)C1CCC2P1"]
["170685955","CCC1C2CC(CP2)N1C(C)(C)C"]
["98566100","CCC1PCC1C"]
["162762347","OC1PC[C@@H](O)[C@@H](O)[C@H]1O"]
["98628299","C[C@@H]1C[C@@H](C)P1"]
["188726744","CC1CC(C2CC3PC(C)CCC32)C1"]
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["81997095","NCC=CCOC1CCCCC1"]
["180746423","COCC=CC=CCN"]
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["178651751","CNC/C=C\\C=C/CN"]
["75736503","[CH-]=C1C(Cl)=C(Cl)C(Cl)=C(Cl)[C+]1Cl"]
["167245287","ClC1=C(Cl)[C@@H]2[C@H](Br)[C@H](Br)[C@@H]2C(Cl)=C1Cl"]
["183972197","ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C(Cl)N1"]
["99251654","[Si-]=C1C=C(Cl)[C+](CCl)C(Cl)=C1Cl"]
["25059915","ClC1=C(Cl)C(Cl)=C(Cl)C1"]
["190581848","Clc1c(Cl)c(Cl)c(Pc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl.[Cl-]"]
["75965013","[CH-]=C1C(C)=[N+]=C(C)C(=[CH-])[C+]1C"]
["26427394","ClC1=C(Cl)C(Cl)=C1Cl"]
["187787518","CC1=C(Cl)C(=C2C(Cl)=C(C)C(Cl)=C2Cl)C(Cl)=C1C"]
["179438529","ClC1=NC(I)=IC(Cl)=I1"]
["185510892","O=S1C(Cl)=C(Cl)C(Cl)=C1Cl"]
["45624604","[CH-]=C1[CH+][O+]=C(Cl)C1=[CH-]"]
["101002761","CN(C)P1(=S)Oc2ccc3ccc4c(c3c2)CC2=C(C=Cc3ccc(c2c3)OP(=S)(N(C)C)Oc2ccc3ccc5c(c3c2)Cc2c(ccc3ccc(cc23)O1)OP(=S)(N(C)C)O5)OP(=S)(N(C)C)O4"]
["53379199","C[C@@H]1CCCCO[C@@H](CN(C)C(O)=Nc2cccc3ccccc23)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(N=C(O)CCCN(C)C)ccc2O1"]
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["65656310","C[C@@H]1CCCCO[C@H](CN(C)C(O)=Nc2cccc3ccccc23)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(N=C(O)C3CCCCC3)ccc2O1"]
["106334262","CCCN(CCC)[C@H](C)C(=O)c1ccc2c(c1)NC[C@@H](C)O2"]
["153023772","CCCC1CCC(c2ccc(-c3ccc4ccc5c(c4c3)-c3c(ccc4ccc(-c6ccc(C7CCC(CCC)CC7)cc6)cc34)OCO5)cc2)CC1"]
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["15763569","CCCC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H](C)c1cc2ccccc2o1"]
["187738376","CC1CCC(c2ccc(-c3ccc4ccc5c(c4c3)-c3c(ccc4ccc(Br)cc34)OCO5)cc2)CC1"]
["106334259","CCCN(CCC)[C@@H](C)C(=O)c1ccc2c(c1)NC[C@H](C)O2"]
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["52510650","[Re].[Re]"]
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["157755168","Cl.[Pt].[Re]"]
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["56539159","[Re].[Si].[Si]"]
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["79190847","[In].[Ir].[Re]"]
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["163061071","Cc1cccc([C@](N)(CO)C(=O)O)c1I"]
["26268677","CC(C)OC(=O)C(C(=O)NC1=NCCS1)=C1SC=CS1"]
["79541488","C=C(F)C=c1ccc(=C2[N]C=CS2)cc1"]
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["85906052","CCc1ccc(C(=O)COC(C)C(C)C)s1"]
["2083682","Cc1ccc(Cl)c2c1N=C(O)[C@@]2(O)CC(=O)c1ccc(Cl)s1"]
["55838866","[195Hg]"]
["47595340","[92Mo]"]
["50874395","[Eu+].[OH-].[O]"]
["6914537","[133Ba+2].[H-].[H-]"]
["79289952","[Eu+].[I-]"]
["79373458","O.[Cl-].[Eu+]"]
["78717214","O.[Br-].[Eu+]"]
["79856800","[Br-].[Eu+].[O]"]
["78171741","[Cl-].[Eu+].[Gd]"]
["79290068","[Br-].[Eu+]"]
["79053222","[Cl-].[Eu+]"]
["83224124","[126Sn].[H].[H]"]
["167382640","O=C1C=C2C([C@@H]3CC4=C([C@H]5[C@H]([C@H]6CC7=CC(=O)O[C@@]78C[C@@H]6N6CCC[C@@H]68)C6=CC(=O)O[C@@]67C[C@@H]5N5CCC[C@@H]57)C(=O)O[C@@]45C[C@@H]3N3CCC[C@@H]35)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCN31"]
["180297092","CCC/C=C1\\OC(=O)C2=C1CCC1C(CCC)[C@]3(CC(=O)C4=C3CCC=C4)[C@H]21"]
["161333029","N#CC1=C(N)OC(c2ccc(-n3c(-c4ccco4)nc4ccccc4c3=O)cc2)=C[C@@H]1c1ccc(Cl)cc1"]
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["100397618","O=C1C=C2C(C#Cc3ccc(F)cc3)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31"]
["14532031","Cc1cc(C)c2c(c1)[C@]1(C(O)=[NH+]2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21"]
["1609849","O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(C(O)=[NH+]c3ccccc31)N1CCC[C@@H]21"]
["157284600","CC(C)N1C(=O)[C@H]2[C@H]3[C@H]4C[C@H]2C(=O)[C@H]4O[C@@]31C1CCCC1"]
["155643705","C=CN1CCCC[C@@H]([C@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O"]
["91113183","C[Si+]=CC=[Ge-]C"]
["194438777","[CH-]=C[CH+]C.[V+2]"]
["100246207","[B]CC=C(C)CC"]
["179862371","CC=[N+]1C(C)=C1C"]
["195402202","[CH2-][CH-]C1CCC(C)[I+]1"]
["100594458","C[CH+]P[S-]"]
["100778304","C/C(=C\\C=C(/C)C(C)(O)C(F)(F)F)C[SH](=O)=O"]
["195919873","C/C=[N+]1/[N-]ON(C)O1"]
["63635790","C[Si+]=[B-](C)C"]
["185934995","B/C(C)=C/P"]
["161746113","C[Si+]=C[NH-]"]
["100281717","C[Si+]NN[Si-]"]
["175414907","[B+]=c1c(=[B+])c(=[B+])c(=C2[CH-][CH-]C3=C([N-]2)C(F)=C(O)[CH-][CH-]3)c(=[B+])c1=[B+]"]
["199977204","[B+]=C1[CH-]C(O)=C(c2c(F)c(F)c(N=C(O)c3ccsc3C(O)=NOC)c(F)c2F)C(=[B+])[C-]1OC(F)(F)F"]
["174343168","[B+]=C1C=C2[N-]N=C(O)N2C=C1c1ccc(F)cc1"]
["139219562","OC(CN=C(O)Nc1ccc(-c2cccc(F)c2)c(F)c1)=NCC1CC1"]
["27049556","COc1c(F)c(C(=O)O)cc(F)c1Br"]
["178777223","O=C(Cc1cc(O)c(O)cc1O)c1ccc(O)c(O)c1O"]
["76761146","O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(C2CCC(O)=NN2)s1"]
["173213261","[B+]=C1[N-]C(C(C)C)=C=C(O)C1C"]
["170722177","[B+]=c1c(=[B+])c(=[B+])c(=C2[N-][C-](C)[N-]C3=[C-]CC[C-]=C32)c(=[B+])c1=[B+]"]
["74697525","COc1c(N2CCC(=NO)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"]
["186898447","Cc1[nH]c(O)c(-c2ccc(F)cc2)c(=O)c1C(=O)O"]
["75439385","Cl.Oc1ccc(-c2ccc(OCC3CCNCC3)cc2)cc1F"]
["76101193","NCCC1O[PH](=O)O[PH](=O)O1"]
["67930375","CC(C)c1ccc(S(=O)(=O)N2CCC(CCN)CC2)cc1"]
["95291379","NCC1(Cc2c(F)cccc2F)CCOC1C1CC1"]
["167547982","NCCC1CC2(CCC2)C1"]
["151180338","CC1(C)[C@H](CCN)CC[C@H]1N"]
["106375512","NCC[C@H]1CC[C@@H](c2ccc3c(c2)OCCO3)C1"]
["89584579","NCCC1CN(C2CS(=O)(=O)C2)CCO1"]
["89241339","CNCCC1CN(c2cc(C)c(C)cc2C)C(=O)O1"]
["154975795","NCCC[C@H]1COCCO1"]
["183609730","COC1(OC)OCCC(CCN)C1(CCCN)OC"]
["89617098","CN1CC(CCN)CN(C2CC2)C1=O"]
["47864590","CN(C)S(=O)(=O)N1CC(CCN)c2ccccc21"]
["182868108","BrI=P(=IBr)[I-3]Br"]
["79644008","O=IBr"]
["181822778","O=S=IBr"]
["185288830","[O-][N+]([O-])=IBr"]
["185707404","O=S(=O)(O)[I]Br"]
["78151543","BrCI=IBr"]
["185564200","[N-]=C=IBr"]
["191489107","O=IBr.[Ag]"]
["170617258","BrI=I[I+]Br"]
["78827049","Br[CH]C1CSC1"]
["78150517","[SeH][I]Br"]
["46434557","C=C=IBr"]
["175801013","B#C[C-]=C1[CH-][CH-][CH-][C-](NC2=NC=N[C-]3[CH-][C-]4OC([B+])([B+])C([B+])([B+])OC([B+])([B+])C([B+])([B+])OC([B+])([B+])C([B+])([B+])O[C-]4[CH-][C-]23)[CH-]1"]
["175182378","[B+]C([B+])([B+])N1C([B+])([B+])CC([B+])(C([B+])([B+])O[C-]2[CH-][C-]3N=CN=C(N[C-]4[CH-][CH-]C(=[B+])[CH-][C-]4F)[C-]3[CH-][C-]2OC)CC1([B+])[B+]"]
["175801012","[B+]C1([B+])OCCOc2cc3ncnc(N[C-]4[CH-]CCC(=[C-]C)[CH-]4)c3cc2OCCOC1([B+])[B+]"]
["175182411","[B]C1([B+])C(C([B+])([B+])O[C-]2[CH-][C-]3N=CN=C(N[C-]4[CH-][CH-][C-](Br)[CH-][C-]4F)[C-]3[CH-][C-]2OC([B+])([B+])[B+])C([B+])([B+])C([B+])([B+])N(C)C1([B+])[B+]"]
["82976973","OCC1(F)OC(N2C=NC3C(O)=NC=NC32)C(O)C1O"]
["184543842","CC(NC1=NC=N[C-]2NC=N[C-]12)[I+]I"]
["184007974","O=Cc1ccc2c(c1)CC1(C=NC=NC1)C1=COC=CN12"]
["74041473","O=c1c(C2=Nc3ccccc3S(O)(O)N2)c(O)c2ccccc2n1/N=C/c1ccoc1"]
["173976329","[B]C1(N(C)C([B+])([B+])[C-]2[C-]([CH-][O-])[CH-][CH-][CH-][C-]2NC([B+])([B+])[C-]2[CH-][CH-][C-](C([B+])([B+])N3C([B+])([B+])C([B+])([B+])OC([B+])([B+])C3([B+])[B+])[CH-][C-]2F)CCC(O)=NC1=O"]
["175801025","[B+]C1([B+])Oc2[cH-][c-]3ncnc(N[C-]4[CH-][CH-][CH-][C-]([C-]=[CH-])[CH-]4)[c-]3[cH-]c2OC([B+])([B+])C([B+])([B+])OC([B+])([B+])C([B+])([B+])OC1([B+])[B+]"]
["173994947","[B]C([B])(NC1=N[C-]2[N-]C(=[B])N(CC([B])([B])N3C([B+])([B+])C([B+])([B+])OC([B+])([B+])C3([B+])[B+])[C-]2C(O)=N1)[C-]1[CH-]C(=[B])[C-](Cl)[C-](Cl)[CH-]1"]
["176501836","[B]C1([B+])C(O)=NC(=O)C([B+])(N2[CH-][C-]3[C-](OC[C-]4[CH-][CH-][C-](CN5C([B+])([B+])C([B+])([B+])OC([B+])([B+])C5([B+])[B+])C[CH-]4)[CH-][CH-][CH-][C-]3C2=O)C1([B+])[B+]"]
["193663198","C[I-]S(C)(C)OS1(C)C[I-]1"]
["185392323","CS(=O)(=O)NC1=CCC(NN)(NS(C)(=O)=O)C=C1"]
["73558338","CC(C)(OCCCCC1CO1)OCCCCC1CO1"]
["49695323","CS(=O)(=O)OC1CN(P)C1"]
["47774401","[CH]CC(C)(C)C.[V]"]
["57557324","[CH2-]N[I-]C.[V]"]
["171681520","CN(C)C(=O)OS(C)(=O)=O"]
["167276432","CS1(OS(=O)(=O)F)CCC1"]
["156315939","CC1CN(C)CC1NS(C)(=O)=O"]
["170581551","CN1C[C@]2(C)C[N-]C[C@]2(C)C1.[V]"]
["173845699","CC(C)S(=O)(=O)OC[C@@H]1CO1"]
["197731742","CCS(C)(O[I-]S(C)(C)C)[I-]OS(C)(C)[I-]OS(C)(C)[I-]C"]
["MCULE-5239815476","O=c1c2nccnc2[se]n1Cc1cn2cccnc2n1"]
["42174359","Cc1nn(Cc2ccc(N)c3cccnc23)c(C)c1C"]
["199614930","Cc1cc(-c2ccc3cccnc3c2OC(=O)c2ccccc2)c(C#N)c(O)n1"]
["22466665","COC(=O)C[C@H](NC(O)=NCCc1cn2ccccc2n1)c1ccc(OC)cc1"]
["21429307","COc1cc(Cl)ccc1[NH2+]Cc1cn2ccccc2n1"]
["11780960","O=S1(=O)c2cccc3cccc(c23)N1Cc1ccccn1"]
["87904310","NCCc1cn2cccc(C(=O)O)c2n1"]
["88566927","CCc1nc(CC)n(-c2ccnc3c(N)cccc23)n1"]
["119496357","O=CN1CCN(c2ccnc(NCc3ccccn3)n2)CC1"]
["MCULE-2033431688","COCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2ccccn2)C1=O"]
["143119965","CC(C)CN1Cc2cccc(N=C(O)Cc3nc4ncccn4n3)c2C1"]
["MCULE-7502747335","CN(CC(=O)O)C(=O)CCN1C(=O)c2cccnc2C1=O"]
["170679937","Br[Se]N=[Se+]Br"]
["33790793","C[Se]Br"]
["170683584","Cl[Se]N=[Se+]Cl"]
["50056698","FC(F)(Br)[Se]Br"]
["91133356","Br[Se]c1ccc([Se]Br)cc1"]
["176140817","Br[Se]O[Se]Br"]
["177250179","C=C/N=C\\N=C/CBr"]
["176255760","Br[Se]Br.[Bi]"]
["196390850","CCC[Se]Br"]
["32548492","N#C[Se]CC[Se]C#N"]
["96907889","FP(=S)(Cl)N=P(F)(F)Br"]
["62927956","O=C(O)[As]=[Se+]Br"]
["175836779","[SiH2].[SiH2]"]
["175544826","S=S.[Fe].[Ni]"]
["191142445","C.S=S"]
["176006364","S=[As].[Co]"]
["173038747","Cl.Cl.[SiH2]"]
["175670948","[28S]"]
["183795726","[O].[SiH2].[V]"]
["175736586","[SiH2].[Zn+2]"]
["99237656","[CH-]=S.[Cu+]"]
["83215392","[Fe].[SiH2].[SiH2]"]
["45331009","[SiH2].[Zr]"]
["173799130","S=[GeH2].[H-].[Li+]"]
["78657794","O[PH](O)(O)SSS[PH](O)(O)O"]
["79042951","N[PH](O)(O)O"]
["32844871","C=[C]CC(C#N)=[Si-](C)(C)C.[Li+]"]
["100853921","CSC(=[S+]C)[SiH-](C)(C)C"]
["163024310","CC(C)[C@H](O)[C@H](C)CN(C)C"]
["104887812","C[C@H](CN(C)C)SC(=N)N"]
["78544067","CCC(C)C[PH](O)(O)O"]
["79137080","CCCCCCCCO[PH](C)(O)O"]
["193597155","CC(CN(C)C)C(=O)[O-].[Li+]"]
["99899501","CO[PH](C)(O)I"]
["25030820","OCSSSSCO"]
["98199012","CN[PH](C)(C)O"]
["178916896","C[I+]1(N2CC[C-]([N-]O)CC2)CC1"]
["184260355","CC(C)(I)N1CCCCCC1"]
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["124730141","CC1(C)CCCN(C(O)=NC2CCN(C(C)(C)C)CC2)CC1"]
["171762341","CC(C)(C)N1CCC(N)C(C(F)(F)F)C1"]
["25290394","CC(=O)N1C[CH]C1"]
["170198232","CCNCC1CCN1C(=O)C(C)C"]
["74798326","CN1CCS(=O)(=O)C(CO)C1"]
["173657133","C=C(F)/C=C\\C(=C)N1CCC(C)C1"]
["198154488","CC.CN1CCN(C)C(O)C1"]
["180143235","C=N[C@H]1CCN(C(C)=O)C1"]
["180047228","CC1C=C(N2CCC(C(=O)O)CC2)C=NC1I"]
["101176049","CC(C)(C)[PH]1(C(C)(C)C)C[B-](F)(c2c(F)c(F)c(F)c(F)c2[F+])c2c(F)c(F)c(F)c(F)c21"]
["174045330","CC(C)(C)c1bbbc(C(C)(C)C)b1"]
["113775675","Cc1cc(C)c(C(C)(C)C2CCC(C)CC2Cl)c(F)c1"]
["150336677","CCC1=C(F)CC(C)N=C1C(C)(F)F"]
["11609407","C[C@@H](N=C(O)NNc1c(F)c(F)c(F)c(F)c1F)c1ccccn1"]
["170532696","CC(C)N1C(c2ccccc2)=[N+](C(C)C)[B-]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["118347484","CCN(CC(C)(C)O)C(=O)C1CC1c1ccccc1F"]
["172553240","C[N+]12CCC(CC1)CC2c1c(F)c(F)c(F)c(F)c1F.[Br-]"]
["164530305","CC(C)(C)[P+]1(CCCB(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2[F+])CCC[B-]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["170470297","CC[N+]1(CC)[C@@H](c2ccccc2)C[B-]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["97656497","CC(C)(C)OC(=O)[C@@H](N=[N+]=[N-])C(O)c1ccccc1F"]
["168465384","C[Si](c1ccccc1)=[PH](c1ccccc1)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1[F+]"]
["78966840","ClC1O[SiH](Cl)[SiH](Cl)C(Cl)C1Cl"]
["170761793","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.N=c1[nH]c(=N)[nH]c(=N)[nH]1"]
["24133738","Cl[C@H]1OCCO[C@@H]1Cl"]
["174807621","ClC1CC[SiH](Cl)C(Cl)C1Cl.O[Si](O)(O)O"]
["75820446","ClCCC1OC1Cl"]
["96523528","C[C@H]1O[C@H]1Cl"]
["174957329","CC1OC1Cl.[K+].[OH-]"]
["42196608","ClC1CCSOC1Cl"]
["59889473","C[Si]1(C)C(Cl)C(Cl)C(Cl)O[Si]1Cl"]
["75771070","C1CO1.Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl"]
["56723961","ClC1O[Si](Cl)=[Si](Cl)C(Cl)C1Cl"]
["145767468","O=C(C1CCOC1Cl)C(Cl)(Cl)Cl"]
["161725779","[Ge+]CCC[Ge-].[Ge]"]
["79157969","CCCCC[CH]OCCCCCC"]
["78993778","CCCCCCC[CH]OCCCCCC"]
["172014116","[Si+]CCCC[Ge-]"]
["54932419","[3H]CC[S-].[CH3-].[V+2]"]
["163692616","C=C(CNCCCC)NC"]
["79144601","NCCCCOC[C]=O"]
["192275672","F.[3H]CCF.[3H]CCO"]
["100854748","[2H]C([2H])([2H])OCCC[CH+]C"]
["161826979","[Si-]#C[C+]=[O+]CC[Ge-]"]
["161684717","[Ge+]CCCC[Ge-]"]
["78716864","NOCCCCOC[C]=O"]
["179123505","[OH+]1C2C3C4C1C1C2C3C41"]
["178464864","C=S(C)C=CC1CC2CC1C1[OH+]C21"]
["175736080","C12C3C4C1C1C2C3C41.[Pt]"]
["109396252","O[C@@H]1[C@@H]2[C@@H]3[C@@H](O)[C@H]4[C@H]2[C@H]2[C@@H]1[C@@H]3[C@H]42"]
["70495577","C1CC2CC3CCC4CC5CCC6CC7CCC8CC9CCC%10CC%11CCC%12CC1C1CC%12C%11[OH+]C%10C9CC8C7CC6C5[OH+]C4C3CC21"]
["51339474","FC12C3C4C5C3C1C5C42"]
["154217979","C[C@@H]1[C@H](C)[C@@H]2[C@@H]3[C@H]4[C@@H]1[C@H]1[C@@H]2[C@@H]1[C@H]34"]
["154273257","N#C[C@@]12[C@H]3[C@@H]4[C@@H]5[C@H]6[C@@H]7[C@@H]8[C@@H]9[C@@H]6[C@@H]4[C@H]1[C@@H]9[C@@H]1[C@@H]8[C@@H]4[C@@H]7[C@@H]5[C@@H]3[C@H]4[C@@H]12"]
["184218625","CC1C2C3C4C(C)C5C4C3C3C4C1C2C4C3[C@@H](C)C5C"]
["180101329","CC1C(C)C2C3C(C)C(C)C4C5C1C4C3C25"]
["151289044","O[C@H]1[C@@H]2[C@H]3[C@@H]4[C@H](O)[C@H]5[C@@H]([C@@H]14)[C@H]2[C@H]53"]
["102916116","CN(C)C1C2C3NC4C3C2C41"]
["99458071","[Fe].[cH-]1[cH-][cH-][c-](P2CCCP2)[cH-]1.c1cc[cH-]c1"]
["161826140","Cc1ccc[cH-]1.[Ti+2].c1cc[cH-]c1"]
["163670656","CC(C)(C)P([O-])(=C1C=CC=C1CO)C(C)(C)C.[Fe+2].c1cc[cH-]c1"]
["25370515","C1=[O+]C[CH-]CS1"]
["157243034","PC1=CC=C=C1[C-]1C=CCO1.[Fe+2].c1cc[cH-]c1"]
["171137852","CC(C)[C@H](c1ccc[cH-]1)N(C)C.[Fe+2].c1cc[cH-]c1"]
["170511976","CC(C)[C@H]1COC(C2=CC=CC2=C(O)[N-]c2ccc(Cl)cc2)=N1.[Fe+2].c1cc[cH-]c1"]
["99720170","[CH2-]O.[Co+2].c1cc[cH-]c1"]
["175844283","CC(C)[c-]1cccc1-c1ccccc1.[Fe+2].c1cc[cH-]c1"]
["161717420","[Si-]=C1C=CC=C1.[Ti+2].c1cc[cH-]c1"]
["161692598","Fc1ccccc1-c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1"]
["55558267","OCCc1ccc[cH-]1.[Fe].c1cc[cH-]c1"]
["179995222","C=C(CO)C(=O)OCCOC1C=CC(C2=CCC(OCC[N+](C)=O)C(CCCCC)=C2F)=C(F)C1CCCCC"]
["172307673","CCOC1C=CC=C2CC(N)(C(=O)O)CCC21"]
["185713975","CCCCOC1(F)C(F)=CC=CC1OC(=O)C1CCC(C2CCC(CC)CC2)CC1"]
["191705400","C=C(C)[C@@H]1CCCCC1c1c(O)cc(CCCCC)c(C(=O)O)c1O.C=C(C)[C@@H]1CCCCC1c1c(O)cc(CCCCC)cc1O.[2H]C[B]"]
["170010564","C=C(C)C(=O)OCCCc1cc(-c2ccc(C3=CCC(C4CCC(CCCCC)CC4)C=C3F)cc2CC)cc(CCCOC(=O)C(=C)C)c1OCCC(CC)(CO)CO"]
["26454702","CCCCC[C@H]1CC[C@H](CCCOc2ccc(OC(=O)c3ccc(OCCCC)c(F)c3)cc2)CC1"]
["96588500","CCOC(=O)C1=CC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]12"]
["74592789","C=C(CCCCCCCCCCCC)C(=O)OCC1CO1.O=C1CCC(=O)O1"]
["63291716","CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)CC1"]
["186996376","CCCCCc1cc(O)c(C2C=C(C)CCC2)c(OP(C)(=O)N[C@@H](C)C(=O)OC(C)C)c1"]
["81260971","CCCCOc1ccc(-c2ccc(CCC3CCC(OC(=O)C(F)CCCC)CC3)cc2)cc1C#N"]
["175808848","CCCCOC(=O)N1CCC(C(C#N)c2ccc(F)cc2)CC1"]
["100855157","[2H]C([2H])=C1[C@@H]2C3C4C([C+]([2H])[2H])[C@@H]5C3[C@H]1[C@H]5C42"]
["180099525","C=C1C2C(C)C1C1C(C)C(C)C21"]
["82858083","C=C1NC2CCCC3CCCC(N1)C32"]
["1948291","O=C1[C@@H]2[C@@H]3[C@@H]4[C@H]1[C@@H]1[C@H]2[C@@H]1[C@H]34"]
["180001748","C=C1C(Cc2cnc(S)[nH]2)CCC2CCCCC12"]
["178423075","C1=C2C3CC[N+]=1C23"]
["97374686","C=C1[C@@H]2CC[C@H]1[C@@H](C(C)(C)O)C2"]
["84031999","C1CC1=C1C2C3C2C2C1C32"]
["180375352","C=C1CC2CN12"]
["154217957","c1ccc2c(c1)C1[C@@H]3[C@@H]4C2[C@H]2[C@@H]1[C@@H]2[C@H]34"]
["174841618","C=C1C(=C)C(C(=N)O)CCC1C(=N)O"]
["154211931","O=C1[C@@H]2[C@H]3C4C5C6C4[C@H]3[C@@H]1[C@@H]6[C@@H]52"]
["179076251","CN=NC1(C)C=C=C=CC=C1"]
["184147898","C=C(C)CC1(C)C=C=C=C1C"]
["181175935","CC(N=[N+]=[N-])C1(C)C=CC=CC1Cl"]
["174532154","ClC1(Cl)C=CC=C1.[Sc]"]
["173406954","C=CC1=CC=CC(C)(N=O)C=C1C(=C)C.CC"]
["171917684","CC1(C)C=CC(Cl)(C=NO)CC1"]
["170657997","CC1(C)C#SC=C1"]
["74308925","COc1ccccc1OC1(C)C=CC=[C]C1"]
["26526961","CC1(O)C=CC=C1"]
["162592748","CC1(C)C[C@H](O)[C@]2(C)C=C[C@H]12"]
["176033891","C/C=C\\C1(C)C=CC1.CC1=CC=C=C=C1"]
["182112148","CC(C)(C)C1(C)C=CC=C1"]
["64822125","C[I-](C)(Cl)SN[I-](C)(C)SN[I-](C)(C)SCl"]
["180844349","CCC[N+](C)(CC)CCl"]
["175343506","CC1([I-](C)(Cl)C2(C)CCCC2)CCCC1"]
["111444509","COC1CCC(NC(C)C(C)OC)C1"]
["187157701","C=C/C(C)=C(\\C=C)CCNSCl"]
["65925337","CNc1nccnc1OC"]
["174816100","CC(NSC(C)(C)C)[C@@H]1CC1(Cl)Cl"]
["23998835","C[N+]1(CCCl)CC[N+](C)(CCCl)CC1.[Cl-].[Cl-]"]
["97578432","CC(C)(C)N=C(O)C(SCl)(SCl)C(O)=NC(C)(C)C"]
["174816101","C[C@@H](NSC(C)(C)C)[C@@H]1CC1(Cl)Cl"]
["187040095","C[I-](Cl)(Cl)Cl"]
["59016500","C[N+]1(CCCl)CC1.[Cl-]"]
["97215008","c1c/c2[n-]/c1=C1/[CH+][CH+]/C(=c3\\cc/c([nH]3)=c3\\cc/c([n-]3)=c3/cc/c([nH]3)=c3\\cc\\c=2[nH]3)N1"]
["70143362","C1=CC(=c2ccc(=c3ccc(=c4ccc(=c5ccc(=C6C=CC=N6)[nH]5)[nH]4)[nH]3)[nH]2)N=C1"]
["97099422","OCC1(CO)c2ccc([nH]2)C(CO)(CO)c2ccc([nH]2)C(CO)(CO)c2ccc([nH]2)C(CO)(CO)c2ccc1[nH]2"]
["99510022","CC1=c2ccc([n-]2)=C(C)c2ccc([nH]2)C(C)=c2ccc([nH]2)=C(C)C2=C=CC1=N2.[Fe]"]
["21979500","CC(C)N=C(O)Cn1c(=NC[C@H](C)O)[nH]c2ccccc21"]
["170560597","Cc1cc(C)c(C2=C3[CH+][CH+]C(=C(c4c(C)cc(C)cc4C)[C+]4[CH+]C=C(N4)C(c4c(C)cc(C)cc4C)=c4ccc([nH]4)=C(c4c(C)cc(C)cc4C)c4ccc2[nH]4)N3)c(C)c1"]
["63857927","C1=C/C(=c2/cc/c(=c3/cc/c(=c4/cc/c(=c5/cc/c(=C6/C=CC=[NH+]6)[nH]5)[nH]4)[nH]3)[nH]2)[NH+]=C1"]
["164488208","FC(F)(F)c1cc2/c(cc1C(F)(F)F)=c1\\cc/c([nH]1)=C1\\[CH+][CH+]/C(=c3/cc(C(F)(F)F)c(C(F)(F)F)c/c3=c3/cc/c([n-]3)=c3\\cc\\c=2[n-]3)N1"]
["47046004","CCCCOc1ccc(OCCCC)c2c3[n-]c(c12)Nc1[nH]c(c2c(OCCCC)ccc(OCCCC)c12)Nc1[n-]c(c2c(OCCCC)ccc(OCCCC)c12)Nc1[nH]c(c2c(OCCCC)ccc(OCCCC)c12)N3.[Cu+2]"]
["43217326","CCC1(CC)C2=[N+]=C(C=C2)C(CC)(CC)c2ccc([nH]2)C(CC)(CC)c2ccc([n-]2)C(CC)(CC)c2ccc1[nH]2"]
["147849071","c1ccc2/c(c1)=c1/cc/c([nH]1)=c1\\cccc\\c1=c1\\cc/c([nH]1)=c1/cccc/c1=c1/cc/c([nH]1)=c1\\cccc\\c1=c1\\cc/c=2[nH]1"]
["176255651","[C+]#CC1=c2ccc([nH]2)=C(C#[C-])c2ccc([n-]2)C(C#C)=c2ccc([n-]2)=C(C#[C-])c2ccc1[nH]2.[Li+].[Mg+2]"]
["175865670","C#CCO[C@H]1CSSC[C@@H]1OP(N)N"]
["84801014","C#CCN1CC(=O)N(c2cccc(N)c2)C1=O"]
["78501605","C#CCOS(=O)(=O)CS(=O)(=O)C(F)(F)F"]
["MCULE-5230531371","C#CCOCCOCC(O)=NC1COc2ccccc2C1"]
["101303542","C#CCOC(=O)C1=CC[NH+](C)C1"]
["125139575","C#CCOc1ccc(C(=O)N2CCS(=O)CC2)cc1"]
["120577089","NCC1CN(c2ccc(Br)s2)C(=O)CO1"]
["163005247","C#CCONC(=O)c1cc[nH]n1"]
["170948054","C#CCO[C@H]1C[C@H](n2cc(C(F)(F)F)c(O)nc2=O)O[C@@H]1COC(=O)OCCCCC"]
["186396728","C#CCOC1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1"]
["34658827","C#CC1(O)OC[C@H](C)[C@H](OC)[C@H]1OCOC"]
["162993367","C#CCC(NN)c1cnc(C)cc1C"]
["195813648","COC1=C(C)CNC(CN2NC3C4=C2NC(=N)NC4SCC(O)C3(F)F)=C1C"]
["101357369","COc1nc(N2C[C@H]3CSC(N=C(O)c4ccccc4)N[C@@]3(c3ccc(F)cn3)C2)nc(OC)c1F"]
["80916282","COC1=C(C)C(=O)C2=C(C1=O)C1C3CC4=C(C(=O)C(OC)=C(C)C4=O)C(COC(=O)C=Cc4ccc(F)cc4)N3C(=O)C(C2)N1C"]
["MCULE-8635235397","COc1ccc(C=C(C(=O)N=c2[nH]nc(Cc3ccccc3C)s2)c2ccccc2)cc1OC"]
["23755344","COc1ccc(CN2CCN(Cc3ccccn3)CC2CCO)c(C)c1C"]
["77519328","CC(C)=CCN1CCN(Cc2c(C)[nH+]n(C(C)C)c2C)CC1CCO"]
["58008868","C=CCn1c(SC[C@H](O)CO[C@H]2CCCc3ccccc32)nnc1-c1ccncc1"]
["CSSS02480874286","CO[C@H]1CN(Cc2c(C)ccnc2C)CC(F)(F)C1"]
["74423045","COC1=C(C)C(=O)C2=C(C1=O)C(CN=C(O)[C@H](C)N=C(O)C(F)(F)F)N1C(C2)C2c3c(cc(C)c(OC)c3O)CC([C@@H]1C#N)N2C"]
["42243572","CCC(COC)n1c(Cl)nnc1-c1ccccc1"]
["MCULE-7579834405","COc1cccc(Cn2nc(C3CCC3)c(C(=O)O)c2I)c1C"]
["151339763","Cc1ccc(CN2CCN(C3CSCCSC3)C[C@H]2CCO)cc1"]
["69618504","[CH+]=C(C)[CH+]CC1=C(O)C(=O)C(=C2C(=O)C(O)=C(C[CH-]C(=[CH-])C)C(O)=C2O)C(=O)C1=O"]
["61040537","COCC(O)CN(C)C(=O)CN1C(=O)CN=C1O"]
["153619380","CCC1=C(O)C2=C(O)C(=O)C=C(O)C2=C(O)C1=O"]
["SN0375312","CC(=CCC1=C(O)C(=O)C(C)=C(Cl)C1=O)C(O)CC1(C)C(C)CCC(=O)C1C"]
["84695691","CC1C(=O)N(CC(=O)N(C)CCC(=N)S)C(=O)C1C"]
["168508957","COc1cc(C)cc2c1C(O)=C(C1=C(O)c3c(OC)cc(C)cc3C(=O)C1=O)C(=O)C2=O"]
["103045721","CC1=C(O)C(=O)C(=C2C(=O)C(=O)C=C(O)C2=O)C(O)=C1O"]
["30242442","CCc1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c(CC)[nH]c3ccccc23)=C(O)C1=O"]
["68746489","CC1(C)CC(NCCCOCCONC2=CC(=C3C(=O)OC(C)(C)OC3=O)CC(C)(C)C2)=CC(=C2C(=O)OC(C)(C)OC2=O)C1"]
["199268821","CC.CC(=O)N(C)CCN(C)S(C)(=O)=O"]
["179945766","CC(C)c1ccc2c(c1O)C(=O)c1ccc(CC(C)(O)CC(=N)O)c(O)c1C2=O"]
["80847595","CN(Cc1ccco1)C(=O)CN1C(=O)C(C)(c2ccccc2F)N=C1O"]
["110875637","C[N+](C)(C)[BH2-][PH2+][BH2-][PH2+][BH2-][N+](C)(C)C"]
["174263998","C[N+](C)(C)C.F[B-](F)(F)F.N"]
["164566382","C[N+](C)(C)[BH2-][AsH2]"]
["79621196","C[N+](C)(C)[O-].[NH3+][O-]"]
["193680603","C[N+](C)(S)S.[Cl-]"]
["177188664","C[N+](C)(C)C.F[As-](F)(F)(F)(F)F"]
["174617969","C[N+](C)(C)C1C=CC=C1.[Pt]"]
["175493706","CCC(O)[N+](C)(C)C.[H-].[Na+]"]
["58125250","CCC(C)[BH2-][N+](C)(C)C"]
["66003177","C[N+](C)(C)B(Cl)Cl"]
["78561181","C[N+](C)(C)C.[C]#N.[Fe]"]
["110875634","C[N+](C)(C)[BH2-][PH2+][BH2-][N+](C)(C)C"]
["195743361","CC12O[S+]3OC1CC1C4C5CC6O[S+]7OC64C1(O7)C52O3"]
["162982953","CC1(C2CC3CCC2C3)CC(=O)CCO1"]
["64743045","CC1(C)[C@@H]2CC[C@@]3(CN=C(O)[C@@H]13)O2"]
["154250687","C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@@]5(C)[C@@H]6C(=O)[C@]1(OC[C@]5(O)C(=O)O4)O[C@]623"]
["170469120","C[C@H]1CC[C@@H]2O[C@@H]2[C@@]23O[C@]2(C)CC[C@@H]13"]
["180050038","CC12C3CC4CC5[I-]CC1C(C4C3)C52C"]
["184166324","CC1CC23CC4C2[C@@H](CCC3(C)[C@H](C)C2C3O[C@@H]3C(C)(C)C12O)[C@]4(C)O"]
["34652699","CC1(C)[C@@H]2C[C@@]3(C)O[C@H]3C[C@@H]21"]
["54926869","CC1(C)C(=O)[C@H](Br)[C@H]2C=C[C@]1(C)O2"]
["77883729","CC1(C)OC2COCC2(Cc2ccccc2)O1"]
["32402363","C[C@@]12O[C@@H]1C[C@@H]1CC(=O)OC[C@@H]12"]
["194780468","CC(C)C12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(=O)O"]
["42082599","CCc1cc(CO)cc(O)c1CN(CCN(Cc1cc(CO)ccc1O)C(CO)P(=O)(O)O)CP(=O)(O)O"]
["16876757","CCc1ccc(OCC(=O)N(CCC(=N)O)Cc2ccccc2)c(Br)c1"]
["64276246","C=CCCC(=O)N(CC)c1cc(O)ccc1C"]
["MCULE-9651666943","COCCN(CCOC)Cc1c(O)cc(C)c2c1OC(=Cc1cc(OC)c(OC)c(OC)c1)C2=O"]
["106125583","COc1c(C)cc(C)cc1[C@H](Cl)CN(C)CCO"]
["137913899","COCc1cc(CN=C(O)N(C)CCC2CC2)ccc1F"]
["128537826","COCCN(Cc1ccco1)C(O)=NC(C)c1cccc(O)c1"]
["44649889","NC(Cc1ccc(O)c(O)c1)c1nc[nH]n1"]
["14184683","CCOc1ccccc1CN(CC(=O)N(C)C(C)(C)C#[NH+])C[C@@H](C)O"]
["102307738","CCCN=C(O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C"]
["44445544","CCc1ccc(CCC(=O)N(CCOC)CC(=O)O)cc1"]
["80657702","CCn1[nH+]cc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)c1C"]
["161900894","C[Ge-](C)CC[Ge+]1CC1"]
["195275015","CCC[Si]1CC[Si](Cl)(Cl)CC1"]
["78369181","CC(C)CCC(CC(C)C)O[SiH2]Cl"]
["162063371","CC12CC(Cl)C(C1)C2"]
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["95649984","CCCCOC1CC(Cl)C1OCC"]
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["185230583","CCC1(OC(=O)[O-])CC1"]
["197090600","CCC1CC(Cl)C(O)C(C)C1=NC(C)COC"]
["50235642","[2H]B=[B-]([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])[B+][2H]"]
["52765310","[2H]B=[B-]([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])[B+][2H]"]
["42276043","[2H]B=[B-]([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])B([2H])[B+][2H]"]
["175672157","[171Tb]"]
["175358357","[Fe].[Mn].[SiH2][SiH3]"]
["174827935","[Au].[SiH2][SiH3]"]
["33662214","NOON"]
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["186934865","[Cr].[SiH2][SiH3]"]
["179925764","[GeH3].[SiH2][SiH3]"]
["1104399","[SiH2][SiH3]"]
["56957963","C=P(CC)(OC[C-](C)C([O-])C(C)CC)OC([C-](C)COC)C(C)[CH-]C.[Y].[Y]"]
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["MCULE-5137814543","CCCN(C(C(O)=Nc1cc(C(C)C)cc(C(C)C)c1)C(C)CC)S(=O)(=O)CCC"]
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["47712996","CCC(CC)N(CCOC)CCC(C)O"]
["81859811","CC[C@@H](C)[C@@H](OC)C(C)C"]
["91136502","CCOP(=O)(OCC)OC(C(F)F)C(C)CC"]
["64015511","CCC(C)C(C)NS(=O)(=O)c1ccc(CCN)cc1"]
["168448524","O1[Si-]=[O+][Si-]2O[Si-]=[O+][si-]3[o+][si-][o+][si]1o[si]([o+]3)O2"]
["48235367","[Si-]=[O+][Si-]1O[Si-]2O[Si]3O[Si]4=[O+][Si](=[O+]1)O[si-]1[o+][si-][o+][si](o[si-](o[si]([o+]1)O4)O3)O2"]
["64956858","O[Si-]1[O+]=[Si-]O[Si]2=[O+][Si-]([O+]=[Si-])O[Si](=[O+]1)O2.[Y].[Y]"]
["168307735","O[Si-]1O[Si-]2O[Si]3O[Si](=[O+]1)O[si-]1[o+][si-][o+][si](o[si]([o+]1)O3)O2"]
["168307734","O[Si-]1O[Si-]2O[Si]3=[O+][Si](=[O+]1)O[si-]1[o+][si-][o+][si]4o[si]([o+]1)O[Si](O3)O[Si-](O4)O2"]
["51129992","O[Si-]1[O+]=[Si-]O[Si]2=[O+][Si-]([O+]=[Si-])O[Si](=[O+]1)O2"]
["42859969","C[Si-]1[O+]=[Si-]O[Si](CCC(F)(F)F)=[O+]1"]
["50881736","C[Si]1O[Si-]=[O+][Si-](C)[O+]=[Si](C)O1"]
["54287716","C[Si]1O[Si](C)=[O+][Si](C)=[O+][Si-](C)[O+]=[Si-]O[Si-](C)O1"]
["91393324","[Si+]#CC#CC#[Si-]"]
["91356424","[PH]C#[As]"]
["168491731","[Si+]=CC#CC=[Si-]"]
["161824979","[O+]#CC#[Si-].[Sn]"]
["161838310","[Si+]NC[Si-]"]
["91099939","[Si+]#[Si]S#[Si-]"]
["52669239","CC(C)([Si-])C(O)([Si+])C(=O)O"]
["100911020","C#[N+]C#[Si-]"]
["91542673","[Si+]#C[S-]"]
["64347926","[Si+]#CC#[Si-]"]
["100927967","[Si+]#C[P-]Br"]
["91585001","[NH-]C#[Si+]"]
["99495337","OCCCC(CO)(CO)[Si][O+]=[Si-]C(CO)(CO)CCCO"]
["183096412","[N-]=[N+]=NCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCCCCO"]
["114096151","CN(CCCCCO)C1CCCC1O"]
["78444817","N#CCCC(CCCO)(CCCO)CCCO"]
["79430843","C=CC.OCCCCO"]
["112335717","Cc1ccc(C(F)(F)CCO)cc1"]
["185875734","CN(C(=O)O)C1CCC(C#CCCCO)CC1"]
["79260268","OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI"]
["173732357","CC(O)C(CCCCO)(C(C)O)C(C)O"]
["95365001","CN(CC(C)(CO)CO)C(C)(C)CO"]
["182785918","CCCC(CC)(CCO)CCCCCO"]
["175126830","OCCCC(CO)(CO)CCO"]
["195604746","C[SiH]=[O+][SiH]=[O+]PC[SiH]=[O+]N[SiH]=[F+]"]
["179252896","C[SiH]=[O+]NO[SiH2]O[SiH](C)C"]
["99204464","CC[O+]=C1CCCS1"]
["149639189","CC[O+]=C1C=CC(=[O+]P[O-])C=C1"]
["74345106","CNC1=C(COC)[N]C=C=C1"]
["183568354","CCO[SiH](C)N[SiH](C)OCC"]
["184108418","CC[O+]=C1N=C=CO1"]
["101136764","[O-][NH2+]OC(O[NH2+][O-])O[NH2+][O-]"]
["178075149","CC(C)(C)C([O-])C(C)(C)C"]
["66731306","CC(C)C(=O)[NH2+][O-]"]
["79964979","[O-]C1=[C+]NC=C1"]
["79819245","CO.COC(OC)OC"]
["59900244","N.N=N[NH2+][O-]"]
["79347225","[O-][NH2+]CC(O)O"]
["79586675","O=NC(=O)[NH2+][O-]"]
["171226389","C#CC[NH2+][O-]"]
["78126102","CN(C)C(C)(C)[NH2+][O-]"]
["66618785","CP(=O)([O-])OP(=O)([O-])C(F)P(=O)([O-])[O-]"]
["195466723","C=COC(C)[NH2+][O-].[I-]"]
["74600106","ClC1=C(Cl)[PH](Cl)(Cl)[PH](Cl)(Cl)P=N1"]
["185858946","CC1=C(Cl)N=NC1=O"]
["171036192","Clc1[14cH][14cH]c(Cl)nn1"]
["75744359","O=c1oc(=O)oc2c(Cl)c(Cl)c(o1)c1c3oc(=O)oc(=O)oc(c(Cl)c3Cl)c21"]
["149995585","Cc1cc(Cl)n[nH]c1=[NH2+]"]
["163362870","O=C(O)C1=CC2C(=O)N=NC(Cl)=C2C=C1"]
["MCULE-4430065719","Fc1ccc(Br)cc1Cn1ncnc1Cl"]
["25988377","Nc1ccc[c]n1"]
["87970712","COCc1nc(Cl)cc(NC(C)(C)C)n1"]
["176086451","Clc1[c-]nc(Cl)nc1.[V]"]
["56859519","CNC(c1cc(Cl)cnc1N)C1CCC(C(C)C)CC1"]
["184240066","CC1=C(Cl)N=C(Cl)N=C(Cl)C1"]
["178589903","[NH-]C(=[SH+])[c+]1cc1"]
["74876007","OCC1O[CH]CS1"]
["97229905","C=C([O-])[c+]1cc1"]
["168645258","N=C([NH-])[c+]1cccccc1"]
["180432511","CC(=O)c1ccccc[c+]1C([NH-])=O"]
["110926823","[NH-]C(=[SH+])[C+]1C=CCC=C1"]
["50707947","C[n+]1ccc(C([NH-])=[SH+])cc1"]
["183922888","C=C([NH-])C[NH-]"]
["183127685","[NH-]C(=[OH+])[c+]1cc1"]
["50985903","[NH-]C(=[OH+])[C+]1CC1"]
["91213446","CO[P+](=O)Cc1ccc(C([NH-])=[SH+])cc1"]
["55958942","CSC(C)=[SH+]"]
["167292506","O=P12c3cc4[nH]c3C(c3c(F)c(F)c(F)c(F)c3F)=c3ccc(n31)=C(c1c(F)c(F)c(F)c(F)c1F)c1cc3c(n12)C(c1c(F)c(F)c(F)c(F)c1F)=c1ccc2n1P315c3cc([nH]c3C(c3c(F)c(F)c(F)c(F)c3F)=c3ccc(n31)=C(c1c(F)c(F)c(F)c(F)c1F)c1ccc(n15)C=2c1c(F)c(F)c(F)c(F)c1F)/C(c1c(F)c(F)c(F)c(F)c1F)=c1/cc/c([nH]1)=C/4c1c(F)c(F)c(F)c(F)c1F"]
["63150398","Cc1cc(CN2N=C(c3ccsc3)C(=O)C(=C3Nc4ccc(NS(C)=O)cc4P(=O)(O)N3)C2=O)ccc1F"]
["170582089","FC1=C(F)C(F)=C(C2=c3ccc([nH]3)=C(c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)C(c3c(F)c(F)c(F)c(F)c3F)=c3ccc([nH]3)=C(c3ccccc3-c3cccc([N+]#[N+]c4cccnc4)c3)c3ccc2[nH]3)C(=[F+])C1=[F+]"]
["34699409","Fc1c(F)c(F)c(C2=c3ccc([nH]3)=C(c3c(F)c(F)c(F)c(F)c3F)C3=N/C(=C(/c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)C(c4c(F)c(F)c(F)c(F)c4F)=c4ccc([nH]4)=C(c4c(F)c(F)c(F)c(F)c4F)c4ccc5c(c6c(F)c(F)c(F)c(F)c6n45)=C4C=CC2=N4)C=C3)c(F)c1F"]
["MCULE-6738979347","O=c1cc(-c2c(F)ccc(F)c2F)[nH]c2cnc(C3CCCCC3)n12"]
["173467923","C=C1/C=C\\C(N)=C(/c2c(F)c(F)c(F)c(F)c2F)c2ccc([nH]2)/C(c2ccncc2)=C2/CCC(=N2)/C(C2=C(F)C(F)=C(F)C(F)C2F)=c2/ccc([nH]2)=C1c1ccncc1"]
["186652494","N=c1nc(N2CCOCC2)cc(-c2nc(-c3ccnc(N)c3F)ccc2N=O)[nH]1"]
["97492032","Fc1c(F)c(F)c(C2=C3C=CC(=N3)C(c3c(F)c(F)c(F)c(F)c3F)=c3ccc([nH]3)=C(c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)/C(c3c(F)c(F)c(F)c(F)c3F)=c3\\ccc([nH]3)=C(c3c(F)c(F)c(F)c(F)c3F)C3=NC(=C(c4c(F)c(F)c(F)c(F)c4F)c4ccc2[nH]4)C=C3)c(F)c1F"]
["MCULE-7649276801","O=c1cc(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2c(I)c(C3CCC3)nn12"]
["110870287","Fc1c(F)c(F)c(C2=C3C=CC(=N3)C(c3c(F)c(F)c(F)c(F)c3F)=c3ccc([nH]3)=C(c3c(F)c(F)c(F)c(F)c3F)c3ccc4c(c5c(F)c(F)c(F)c(F)c5n34)=C3C=CC(=N3)C(c3c(F)c(F)c(F)c(F)c3F)=c3ccc([nH]3)=c3c4c(F)c(F)c(F)c(F)c4n4c2ccc34)c(F)c1F"]
["43555143","Cc1ccc(C2=C3C=CC(=N3)C(c3ccc(C)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3cc([nH]c3-c3c(C)[nH]n(C)c3=O)C(c3ccc(C)cc3)=C3C=CC2=N3)cc1"]
["34352564","COB1n2c3ccc2C(c2c(F)c(F)c(F)c(F)c2F)=c2cc/c(n21)=C(\\c1c(F)c(F)c(F)c(F)c1F)C1=NC(=C3c2c(F)c(F)c(F)c(F)c2F)C=C1"]
["46637368","[2H][P-]S[I-]I"]
["54735986","[2H][P-]P(C)C"]
["172031532","[2H]I(I)[I-]P"]
["51888385","O[I-]I"]
["78261278","CC[O-].I[I-]I.[Ti+]"]
["196559697","CC(C)[I-]I"]
["193649995","CC(C)(C)C.I[I-]I"]
["172031523","[2H]I(I)[I-]C"]
["79625202","C[N+](C)(C)CCO.I[I-]I"]
["96476632","C[NH3+].I[I-]I.[Pb]"]
["180959842","C[I-]C(CN)[I-]I"]
["23938895","Br[I-]I.CCCC[N+](CCCC)(CCCC)CCCC"]
["91296471","[Si-][Si-]1(=[Si-])[O+]=[Si][O+]=[Si]=[O+]1"]
["14747167","[O-]S1([O-])[O+]=[Si]=[O+]1"]
["34081762","[112In]"]
["79622689","[48Ar]"]
["59457237","C[AsH](C)CCC[PH+](CCC[AsH](C)C)CCC[AsH](C)C.[C-]#N.[Ni+2]"]
["79701335","CCCC[PH+](CCCC)CCCC.[Pd-]"]
["189904227","CCCC[PH+](CCCC)CCCC.[Ag]"]
["162993736","CC(CS)CN1CC(C)C(C)C1=O"]
["57448326","CCCCCCCCCCCCCCCCCC[PH+](CC)CC"]
["49612674","CCCCC(C)(CCC)C(C)(C)CC"]
["160837454","CC[SiH](CC)CC.[C-]#N"]
["194208258","CBr.CCCC[PH+](CCCC)CCCC"]
["172347877","CCCC[C](CCCC)CCCC.[C]#N.[Sn]"]
["93048138","CN(CCCN)c1cccc(Cl)c1C#N"]
["171570758","CCCCCCCC[NH+]1CCC(C)C1.[C-]#N"]
["174380087","CCCC[PH+](F)F"]
["181987157","[Bi].[H].[N-]=NN=C=CC1=[C+]CCCC1"]
["175681159","C=NC1=C(N=CC(C)C)CCCC1"]
["176826598","C=CCC1CCCC/C1=C\\CC.CC(C)(C)OC=O"]
["58817489","CC(C)c1ccc(S(=O)C2CCCCC2=O)cc1"]
["178715037","N=C1CCCC[C@H]1O"]
["27237511","OC(=NC/C(Cl)=C/Cl)Nc1cccc2c1CCCC2"]
["99600909","N#CC(/C=C1/C=CC(=O)C2=C1CCCC2)=C(\\N)S"]
["185522901","C(=CN1CCCCC1)=C1CCCCC1"]
["183963133","[Bi].[CH+]=C(C)C(C)=C=NN=[N-].[H]"]
["184290284","C=[N+](C)C1CCCCC1=NS"]
["62935259","C(=NN1CCCCC1)c1ccccc1"]
["200234891","CN=C1CCCCC1OC"]
["173803504","[B+]=c1bb[b-]#[b-]c1=[B+]"]
["173746675","[B+]=C1CC([C-]([O-])[O-])=C(O)C(=[B+])C1=[B+]"]
["178591671","[B]=c1cbc(=[B+])[n-]1"]
["22274924","[B+]=C1C=CC=B[N-]1"]
["173910350","[B+]=NB=c1c(=[B+])[nH]c2[b-]#[b-]nbc12"]
["174653299","[B+]=C1C=CO[N-]1"]
["116261136","b1bbbb[b-]#[b-]bbb1"]
["176500769","[B+]=C1C=C(C)C(C)=CN1P"]
["173866308","[B+]=C1B=[B-]=C(F)C([N+](=O)[O-])=B1"]
["179962774","[B+]=C1C=[B-]=CC=C1"]
["99341314","[B+]=C1C=C=C2C(=C[N-]N2C2CCCCO2)C1F"]
["173803505","[B]=C1B=[B-]=BC(=[B+])C1=[B]"]
["57247175","CC1(C)COP(NCC[N+](CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)OC1"]
["181680237","CC1(C)CC(C(CCCOC(=O)CC(=O)[O-])C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1"]
["30750859","Cc1ccc(-c2ccc(C3CC(C)(C)NC(C)(C)C3)c(F)c2)cc1"]
["5450549","CCN(C1CCN(C(O)=[NH+]C2CC(C)(C)NC(C)(C)C2)CC1)S(C)(=O)=O"]
["169868272","CC(C)c1nc(NC(C)(C)CC(C)(C)C)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1"]
["192876300","CC(C)(C)CC(C)(C)Nc1nc(N(CCCCCCNC2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)CC(C)(C)C2)nc(N(CCCCCCNC2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)CC(C)(C)C2)n1"]
["99819220","CN(C1=NN/C(=C2\\C=CC(c3cnn(C)c3)=CC2=O)C=C1)C1CC(C)(C)NC(C)(C)C1"]
["188712094","CN(/C(N)=C/C=C(\\N)c1cc2c(cc1O)c(=O)ccn2C)C1CC(C)(C)NC(C)(C)C1"]
["MCULE-6103131251","Cc1ccc(N=NNC2CC(C)(C)NC(C)(C)C2)cc1Cl"]
["161916322","CC(=O)N(CCCCCCCN=C(C)O)C1CC(C)(C)NC(C)(C)C1"]
["42983940","CC1(C)CC(CCCCN=c2ncnc(N(CCCCCCNC3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)[nH]2)CC(C)(C)N1"]
["80602108","CN(CC1C[NH2+]NC1c1cccc2ccccc12)C1CC(C)(C)NC(C)(C)C1"]
["65138116","[CH-]=C[n+]1[c-]c[n-]c1.[W+2].[W]"]
["25165227","[CH-]=CC1=[N+]=CCS1"]
["69595518","[CH-]=CC=C1C=C[O+]=C1.[W]"]
["13614628","O=Cc1cc(F)c(Cl)cc1F"]
["172155343","[CH-]/C=C(\\[CH2])[I+]C(=[CH-])C=[CH-].[W+2].[W]"]
["176131724","C[NH2+]/C=C(\\C=N)c1nc(Cl)ncc1Cl"]
["176450015","[Y].[c-]1cccc2c[n-]c[n+]12"]
["161874758","S.[CH-]=C/C=C\\[O-].[Rh+2]"]
["161891914","Cc1[n-]c[c-][n+]1C.[Li+]"]
["59930634","CCC(CC)(CNC(C)(C)C)c1ccc(Cl)c(Cl)c1"]
["175347199","Ic1ccc2[n-]c[c-][n+]2c1.[U]"]
["58350960","CC(C)(c1ccc(-n2ccnc2)c(-[n+]2[c-]c[n-]c2)n1)c1ccc(-n2ccnc2)c(-[n+]2[c-]c[n-]c2)n1.[Pt+2]"]
["178280029","CC#C[N+]#CCC=C=CCC#C/C=C\\C[N+]#CC"]
["96576777","C[Si](C)(C)CC=C=CCC/C=C/C[Si](C)(C)C"]
["90947635","CCCCC#CC=CCCCO"]
["96554181","CCCCC#C/C=C/[Se]c1ccccc1"]
["91296221","CCCCCC=C=CCC(C)C"]
["61290783","CC/C=C/C#CCCCCC"]
["78032982","CN(CC=CC#CC(C)(C)C)Cc1cccc2sc(Cl)cc12.Cl"]
["175510956","CCCCC#C/C=C/CCCCCCCCC1CCCCO1"]
["90965055","CCCCCC#CCC=C=CC#C[Si](C)(C)C"]
["91183305","CCCCCCC#CC#CC=CCCCCCC"]
["96754143","CCCCC#C/C=C\\[Te]c1cccs1"]
["132728100","CC#CCN=C(O)NCC1CCN(C(=O)c2ccccc2)CC1"]
["98527542","CCC(CC)(CCC(C)(C)CCC(CC)(C(NC)C(CC)(CC)OC(N(C)C)(N(C)C)C(C(C)C)(N(C)C)C(C)(CC)CC)C(NC)(N(C)C)C(CC)(CC)OC(NC)(N(C)C)C(CC)(NC)C(C)(C)CC)OC(NC)C(C)(N(C)C)C(CC)(CC)C(C)(C)C"]
["84577775","CCC(C)(C(CCC(C)(C)C)NC)N(C)C"]
["170929625","COc1ncc(-c2ccnc(N3CCc4c(sc5c4CCCC5)C3=O)c2[C@@H](C)O)cc1Nc1ccc(N2CCN(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)N(COP(=O)(O)O)C4=O)C5=O)[C@@H](C)C3)C[C@@H]2C)cn1"]
["112156455","CCc1nn(C)cc1CNCC(C)CN(C)C(=O)OC(C)(C)C"]
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["110914199","[NH2+]=N[N]n1nnnn1"]
["167338736","B(n1cnnn1)=[N+]1C=N[N-][N-]1.[K+]"]
["63277676","CCCn1nnnc1N=Nc1nnnn1CCC"]
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["186011574","Cn1nnnn1.[V]"]
["186385876","C1=[NH+]C=[PH2]O1"]
["173071642","C1=[NH+]OCO1"]
["96573645","[c+]1[c+]cccccc1"]
["181278865","Ic1csc[nH+]1"]
["100276212","c1c[o+][si-]o1"]
["99854670","Fc1noc(F)c1F.[B]"]
["65658578","CC1=C=CO[CH-]1.[V]"]
["79471838","C1=[NH+]C[CH-]O1"]
["173185635","C1=NC[NH2+]C=[NH+]1"]
["74262859","O=[N+]([O-])C1[C+]=C[N-]O1"]
["95258294","Cc1nc(C)c(-c2csc(=N)[nH]2)o1"]
["185146005","C1=NC[Se]C=[NH+]1"]
["33919946","C[14CH2]C[14CH2]C[14c]1c[14c]2c[14cH]c3[14c](O)c4[14c](c[14c]3c2[14c](O)c1[14C](=O)O)C(C)(C)[14c]1c[14c](O)c[14c](O)c1[14C]4=O"]
["91953441","CC(CCO)CN=c1[nH]ccn2nc(C(C)C)cc12"]
["198245621","Cc1ccc(NC(O)=Nc2cc(-n3cccc3C(=O)O)ccc2NC2(CC(C)C)CCCCC2)cc1"]
["168935967","COc1cc(C2(C(O)=NS(=O)(=O)c3cccc4n[nH]cc34)CC2)c(OCC(C)C)cn1"]
["99237797","COc1cccc(OC)c1C(=O)C(CC(C)C)C(=O)OCCC(C)C"]
["62966246","Cc1cc([N+](=O)[O-])c[nH]c1=NCc1cc(F)ccc1F"]
["30868081","CCc1c(S(=O)(=O)Nc2ccccc2OC)ccc(CO)c1N1CCC(C(=O)c2ccc(F)cc2)CC1"]
["MCULE-8284415834","CCCCN(C)Cc1cc(=O)c(OCC(O)=Nc2c(C)cccc2CC)cn1CCCOC"]
["MCULE-8471512573","CN=C(O)c1cccc(-c2c[nH]cc(C)c2=NC(=O)CC2OC(C)(C)OC2=O)c1"]
["116899922","CCc1ccc(N=C(O)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1CC"]
["178880976","CC(C)C1CCC(C(=O)OC2(C)C=C3CC3=CC(C)(COC(O)C(F)(F)S(=O)(=O)O)C2)CC1"]
["MCULE-6688859599","CCc1ccnc(N=C(O)Cc2ccc(-c3cccnc3OC(C)C)cc2)c1"]
["33662786","N#[Si]N=[Si]=N[Si]#N"]
["78429105","N#[Si]O.[Ta]"]
["192561861","CN=[N+]=N.CN[N+]#N"]
["91159612","N#C[Si]#N"]
["172792717","N#[Si][SiH]=N"]
["149736286","N#[Si]CCO"]
["145633521","CC[Si]#N"]
["97794531","C1=PC2C3C1P23"]
["32514847","N#[Si][Si]#N"]
["91245315","N#[Si]N[Si]#N"]
["197060820","[N][Si]#N"]
["79304958","C=NC(O)=C([O])OC"]
["195879583","CC12C[I]C(N)(C1)CC1(N)CC3(N)CC4(N)CC(N)(C2)[P]143"]
["45880579","NN1CCS(=O)(=O)[C@@H](C2(N)CCCCC2)C1"]
["94976536","COc1cccc(OC)c1C1(N)CC(C)(C)CC(C)(C)C1"]
["180302522","CC12CC1CC1CC1(N)C2"]
["170169240","CC12CC(CC(N)CO)(C1)C2"]
["174398584","CC1(C)CC2(C)[C@@H]1C[C@@H]2N"]
["176089481","CC(O)CC12CC(N)(C1)C2.Cl"]
["151180352","CC1(C)C[C@@](C)(N)C[C@@H]1N"]
["159333637","C[C@@H]1C[C@](C)(N)C[C@@H]1F"]
["MCULE-4366862799","CC1CC(C)(N)CC1F"]
["174398995","CC[C@@]1(C)CC(C)(C)C1N"]
["92838719","CC12CC3CC(C)(C1)CC(CC(NN)C1CCC1)(C3)C2"]
["79617126","[CH2-][CH-][CH-][CH-]Cl.[Mg+2].[Mg+2]"]
["172723773","[CH2-][CH-]CI.[Na+].[Na+]"]
["91694619","[CH2-]C([CH2-])(C)N(Cl)C(C)(C)C.[Mg+2]"]
["97494548","CC(C)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)[Si](Br)(Br)[Si](Br)(Br)[Si](C(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C"]
["79656725","[CH2-][CH-][CH-]CCCCCCCCCCCCCCC1([O-])OO1.[Mg+2].[Mg+2]"]
["162319198","F[CH-]Cl.[Na+]"]
["50665917","C[CH-]CC.[CH2-]CC.[Mg+2]"]
["61342025","C[CH-]C.[CH2-]CC.[Mg+2]"]
["78207537","CCOP(O)O.[CH2-][CH-]OP(O)O.[Mg+2]"]
["197821184","[CH2-]CNC[CH-]Cl.[Zn+2]"]
["14240419","N=C([NH3+])[CH-]Cl"]
["172397816","O[CH-]Cl.[Na+]"]
["66936867","C=[Si]1C=C[Si]=CC1"]
["176066356","C=C1N=CNC2=C1CCCN2"]
["182357776","C=[Si]1O[Si](=C)O[Si](=C)O[Si](=C)O1"]
["156364522","C=C[SiH]1C[SiH2]C[SiH](C=C)C1"]
["153370851","C=C1OC[C@H](c2ccccc2)O1"]
["63893980","C1=C[Si]#[Si]CC1"]
["68739527","C1=[Si]CC1"]
["192925977","C=C1OCC(c2ccccc2)O1.[2H]CP=O"]
["100171694","C=CCC1=C(C)C=CC1"]
["54571872","CCC[Si]1C=CC(C)=C1C"]
["175017890","C=CCN1CCCC1=O.Cc1ccc(S(=O)(=O)O)cc1"]
["161718964","CO[Si]1CC=CC1"]
["172137038","[3H][B+]P([PH])[PH-].[Y]"]
["25406946","OP(O)C(Cl)(Cl)Cl"]
["79325034","OP(O)[PH].[Rh]"]
["170518995","C[Se]C[Se-]"]
["52376356","CP([PH-])C#N"]
["172137039","[3H][B+]P([PH])[PH-]"]
["68554866","FP([PH-])P"]
["69904826","CP(C)[PH-]"]
["55689333","[PH-]P(P)I"]
["171925988","[2H][P-]P([B+])C[3H]"]
["171979021","[3H]S(=P)I.[Y]"]
["66389945","[2H][P-][SH](=P)=P"]
["78123764","[3O]"]
["97716970","Fp1c2c3c4c5c6c7c8c9c3c(p2F)p(F)c9p(F)c8p(F)c7p(F)c6p(F)c5p(F)c41"]
["3329442","C[C@@H]1CC[C@@H](C)P1C1=C(P2[C@H](C)CC[C@H]2C)C(F)(F)C1(F)F"]
["188313315","FP1C#C1"]
["58135831","COc1nc(OC)nc([N+]23CC[N+](c4nc(OC)nc(OC)n4)(CC2)CC3)n1"]
["64628444","FP1OCCCO1"]
["161824634","ClC1=C2OP(O1)O2"]
["91581687","OC1=CP1F"]
["83134497","CC1CCC(C)P1C1=C(P2C(C)CCC2C)C(F)(F)C1(F)F"]
["100895266","CC1=C(C)CP(F)C1"]
["199958270","COc1nc(O)nc(OC)n1.[Co]"]
["91581709","NC1=C(O)P1F"]
["26462136","COc1nc([O])nc(OC)n1"]
["174090295","[BH3-][N+]12CC[N+]([BH2-]C)(CC1)CC2"]
["173838006","CS[N+]1=[C-][N+](C)(SC)CC1"]
["154699660","CC(C)(C)[N+]1(O)CC1"]
["57842029","CO[N+]1(OC)CCCC1"]
["57566199","CCC[N+]1(C)CCCC(C)C1"]
["164894766","C[N+]1([C@H]2CCC3CCCC2C3=O)CCCC1"]
["170923938","O=S(=O)(F)N1CN(S(=O)(=O)F)CN(S(=O)(=O)F)C1"]
["180779364","CC1CC2=C(C1)C1=C2CC1C"]
["174090297","[BH3-][N+]12CC[N+](C)(CC1)CC2"]
["179360842","[BH3-][N+]12CCC(CC1)C(C)(O)C2"]
["152993492","C[N+]1([C@@H]2CC[C@H]3CC[C@H]2C3=O)CCCC1"]
["64441757","CC[N+]1(CCCl)CC[N+](CC)(CCCl)CC1.[Cl-].[Cl-]"]
["149653967","C1NC2=C(N1)NC(=C1NC3=C(NCN3)N1)N2"]
["148556125","Cl.OC1(O)CCCNC1"]
["178882377","Brc1ccc(Br)c2c1[NH2+]NS2"]
["180858360","CCNCC1=C(C)NCN1"]
["24833135","[C]1=CCONC1"]
["98302229","CC.c1ccc2c(c1)NCN2"]
["84809947","OC1=Nc2cnccc2NC12CCCC2"]
["108178792","CC[C@H]1CNC(=N)S1"]
["89573956","CC1=C(N)CC(CO)=C(C)N1"]
["75203114","C[C]1OCCNC1=O"]
["64520337","C1NCC2=C(N1)NCN2"]
["88642239","N=C1N=C(O)C2(CC2)N1"]
["61695581","[b+]1c#coooo1"]
["62113698","Clc1c[c][nH]c1"]
["79602187","[c]1noooo1"]
["166837311","CC(C)N[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["63570832","[O]c1nc#co1"]
["54284268","ClN1CN(Cl)ON(Cl)O1"]
["174767702","CCC(=C\\C#N)/C(F)=C(/F)C(=C(C#N)C#N)/C(F)=C/F"]
["98978420","CCC(C#N)=C(C)C(=O)O"]
["171106182","CCO/C=C(\\C#N)C(=O)C(O)CC"]
["84017237","CN/C(=C\\C#N)c1ccccc1"]
["192891590","CC/C(=C\\c1ccccc1C#N)C(=O)O"]
["67472421","CC(=O)CC(C)N(CC#N)CC#N"]
["23469491","CCC(CC)C(=O)C(C#N)C(=O)c1ccc(OC)c(OC)c1"]
["199635969","CCN(CC)c1c(Cl)cccc1NC(C#N)=C(C#N)C#N"]
["101517865","CCN(CC)c1ccc2cc(/C=C(\\C#N)SN)ccc2c1"]
["32795637","CSC(SC)=C(F)C#N"]
["158389072","CCOC(=O)c1ccc(S)c(F)c1C#N"]
["6845103","CCCCOc1ccc(/C=C(\\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-]"]
["99788230","B#P(I)N1COc2c(ccc3c2OCN(P[B]I)C3)C1"]
["11990148","COc1cc(C(=O)O)cc2c1OCN(Cc1ccccc1)C2"]
["119265455","O=C(C1Cc2ccc(Br)cc2C1)N1CCOCC1CO"]
["20267044","CC(C)(C[NH3+])[NH+]1CCc2ccccc2C1"]
["MCULE-2902564102","Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(Cc1ccc(Cl)cc1)CO2"]
["MCULE-7150137801","CCCCN1COc2c(cc3c(c2C)OC(=Cc2cc(Br)ccc2OC)C3=O)C1"]
["12960826","CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(C)cc1)CO3"]
["198115633","CC(=O)N(C)c1cccc(-c2cc3n(n2)Cc2ccc(N=C(C)O)cc2OC3)c1"]
["21257312","c1ccc(CN2COc3c(c4c(c5c3C[NH+](Cc3ccccc3)CO5)CN(Cc3ccccc3)CO4)C2)cc1"]
["14982674","Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C1CC1)CO2"]
["7798699","CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OCc2ccccc2)cc1)CO3"]
["7465040","Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1cccc[nH+]1)CO2"]
["44821546","CC(CC(CCC(C)C(C)(C)C(C)(C)C(C)C)C(C)(C)C(C)(C)C(C)C)C(CCC(C)C(C)(C)C(C)(C)C(C)C)C(C)(C)C(C)(C)C(C)C"]
["179627920","CCCC(CCC)C(C)(C)OP([O-])[O-]"]
["171528186","CCC(C)CC(CCC(C)(C)C)OC(CCC(C)(C)C)CC(C)CC"]
["142248624","CC(C)C(C)(O)CN1CCCC(c2n[nH]c(-c3ccccc3)n2)C1"]
["31302813","CCCC(C)COc1ccc(C(COC(C)=O)N=C(O)OC(C)(C)C)cc1"]
["99920228","CCCCC(CC(C)(C)C)O[SiH3]"]
["182999674","CCC(Cl)CCCC(C)(CC(=O)OC)C(C)C"]
["178395249","CCC(C)(C(C)C(C)CCC(C(C)C)C(F)(F)F)C(F)(F)F"]
["179948189","C=CC=NCC(C)[C@](C)(C=N)C(C)C"]
["78308677","CCCCC(S)C(C)(C)CC"]
["179824479","CC(C)C1C[C@H](F)[C@@H](N=C(O)OC(C)(C)C)C[C@@H]1O"]
["164154014","CCC(C)(BC(C)(C)C)C(C)(C)C(C)C(C)(C)C"]
["164168497","Cl[SH]1CS(Cl)(Cl)C1"]
["183894177","ClC1CC2COCC(C1)N2"]
["91333760","ClS(Cl)(Cl)(Cl)(C1CCCC1)C1CCCC1"]
["55987064","OS1(O)CC(Cl)(Cl)C1"]
["172369011","[Hg].[N]=C=CCl"]
["174035565","[B]CC1CN(C)C1"]
["79249895","CCN1CN(CC)CN(CC)C1.[Cr+]"]
["163552690","CC(C)N1[SH](Cl)N(C(C)C)S1(Cl)Cl"]
["59323066","OS1(O)CC(Cl)C1"]
["166536866","FS(F)(F)(F)(F)Cl.FS(F)(F)F"]
["179926277","NN(O)Cl"]
["167228076","CC(C)(C)N(Cl)C1(O)CC1"]
["185391440","CC=C1C=C(CCCC)C=C(CCCC)[C-]1CCCC.[CH2-]Cc1cc(CCCC)cc(CCCC)c1CCCC.[Zn+2]"]
["30328207","CCCCc1ccc(-c2cc3c4c(c2)[C@H]2CNCC[C@H]2N4CCCS3)cc1"]
["78692956","CCCCc1cc(CCCC)cc(-c2cccc([SiH2]C3=C(C)C(C)=C(C)C3C)c2-c2cc(CCCC)cc(CCCC)c2)c1"]
["17348030","CCCCSc1nc(C)c(CCCC)c(O)n1"]
["118581199","CCN=C(NCCCc1ccc(OC)c(OCC)c1)NC1CCN(C(=O)OCC)CC1"]
["32149373","CCCCc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]"]
["153704016","CCCCCCc1cc(/C(C)=N\\O)c(O)cc1OCCCC"]
["89447918","CCCCc1cn(CC(=O)O)c2ccc(C)cc12"]
["175331923","CCCCCCCCCCCCCCCCCCc1ccc2nc(CCCCCCCCCCCCCCCCCC)[nH]c2c1"]
["187164715","C=C1C(S)SC(CCCCc2cc(CCCCC)cc(C)c2C2C=C(C)CCC2)=C(C=O)N1C"]
["8661276","CCCCc1cc(=O)oc2c(C)c(OCC([O-])=N[C@@H](C)C(=O)O)ccc12"]
["75064579","CCCCc1cc(CCCC)cc(C(=O)OC(COC)C(C)C)c1"]
["91152591","C1=C[Se+]=NC=N[Se]1"]
["MCULE-9465980447","CCOc1ccc(C2CC2CCBr)cn1"]
["57109769","Sc1n[nH][nH]1"]
["178315370","C1=NI=NI=N1"]
["MCULE-5573463093","CCOc1ccc(C2CC2CCO)cn1"]
["91501524","C1=C[Se]N=CS1"]
["MCULE-4976582136","CCOc1ccc(C2CC2CS)cn1"]
["52250331","C1=NSC=S=N1"]
["MCULE-3838848915","CCOc1ccc(-n2ncc(CBr)c2C)cn1"]
["MCULE-2827605993","CCOc1ccc(C2CC2CCl)cn1"]
["190556210","C1=NC2=NCC=NC2=NC1"]
["90193392","CN(C)c1ccc(CC#N)nn1"]
["190565589","S.[N-]=[N+]=C=C=[OH+]"]
["150634193","[Cs+].[N-]=[N+]=N"]
["182012077","C#C[SiH2]C#CN=[N+]=[N-]"]
["168637392","CC([O])=C=[N+]=[N-].CC([O])=C=[N+]=[N-].[Hg]"]
["182240914","N#CPN=[N+]=[N-]"]
["182183269","CC(C)C(N=[N+]=[N-])[N+](C)(C)C"]
["183930551","N#CC(=NO)C(O)=NN=[N+]=[N-]"]
["79528960","[N-]=[N+]=N.[Rb]"]
["179925947","[N-]=[N+]=N[Si-2](N=[N+]=[N-])(N=[N+]=[N-])(N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-]"]
["83925137","C=PN=[N+]=[N-]"]
["51415113","[N-]=[N+]=NP"]
["184021538","CC(C#N)(N=[N+]=[N-])C(Cl)Cl"]
["182546947","OS1(O)C=CC=CC=N1"]
["63166326","OS1(O)C=NCN=C1"]
["173870033","O=C(O)S1(C(=O)O)C=CC=CC1"]
["191755245","C1=CC=NNC=C1.[Br-]"]
["167248651","[C+]=C(O)OC.[W]"]
["145708326","C/C(NNC(=N)O)=C1\\C=CC=N1"]
["46157001","O=S(O)C1=N/C=C\\C=C/C=N1"]
["174264185","O=C(O)C1(C(=O)O)C=CC=CC=N1"]
["144144322","CC(C)=C1/C=C(C)\\C=C/C=C/C=N1"]
["161734929","C1=NN=NN=C/C=C/C=C/C=C\\C=C\\C=C\\1"]
["174360691","NS1(N)C=CC=C1"]
["175702715","CC([N-]C1=CC=CS1(C)C)=C(C)[N-]C1=CC=CS1(C)C.[H].[Sn+2]"]
["178522594","C#[N+][C@@]12CN(I)C[C@]1(O)C2"]
["173551275","CCC1(O)CC2(CN(C)C2)C1"]
["25885330","CCC(O)(CC)C12CC3(O)CC(O)(CC(O)(C3)C1)C2"]
["65032815","CC(CN1CC(O)(C(C)C)C1)C(=O)O"]
["175666385","C=C(C)C(C)(F)C1(O)CC(C)(C)CC(C)(C)C1"]
["177696224","CN1CC12CCN(I)CC2"]
["162997761","C=C(CBr)CN1CCC(F)(F)C1"]
["189275300","CN1CCCCC12CN(I)C2"]
["66785116","C=C(CC)CN1CC(O)(C(C)C)C1"]
["158267476","O=C([C@@H]1CCCOCC1)N1CC(O)(C2CC2)C1"]
["62679114","CC(=O)C12CC1(C)C(C)C(C)N2C"]
["162779865","C=C(C)C1(O)CCN(CC)C1"]
["149599657","CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C(C)(C)C2(C)C(C)(C)C(C)(C)C12C"]
["180074710","CCC(C)(C)C1C2NC3C4(C)[C@@H]1[C@]234"]
["78422690","BC1(C)C(C)(C)C2(C)C(C)(C)C(C)(C)C12C"]
["51686258","CC(C)(C)C1OC(CF)C(F)C(O)C1O"]
["178593078","CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C2CCCC1C2"]
["109457998","CC(C)(C)N1C(C)(C)[C@@]1(C)C#N"]
["178177054","CC(C)(C)C1(C)C(C)(C)[I-]C2(C)C3(C)C(C)(C)C(C)(C)[C@@]3(C)C21C"]
["178235080","CC1(C)CCCC1C(C)(C)C1CCC1"]
["173271433","CCC(C)(Cl)C(C)(Cl)C(C)(C)C(C)(C)C"]
["180626603","CC1C2CCCC1C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C"]
["178616277","CC1C(C)C(C)(C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C1(C)C"]
["56091672","CCC(CC)(CC)C(C)(C)C(C)(C)C"]
["100938877","c1[nH][cH-]c2c[nH][cH+]c1-2"]
["120476280","Cc1ccc(Oc2ccc(=N)[nH]c2)c(Cl)c1"]
["175239584","[B+]=C1C=N[CH-]c2[nH][cH+][nH]c21"]
["91355549","CN(C)c1c[nH]cc1N(C)C"]
["149053078","N=c1ccc(OCC2CNC2)c[nH]1"]
["98248334","[O-]c1cc[cH+][nH]c1"]
["78244269","[O-]C1[CH+]NN=N1"]
["MCULE-5395572635","Cc1cc(N(C)C)ncc1-c1cc2c[nH]nc2cc1C"]
["42382930","[CH+]=c1[cH+]c2c[nH][cH-]c-2cc1=[CH-]"]
["87926592","O=Cc1cc(F)c[nH]1"]
["199928343","Cc1cc(Cl)nc2c[nH]nc12"]
["183100656","[N-]=[N+]=NC1=CNC(Cl)O1"]
["196478855","O=N/N=C(\\Cl)C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CN=NOOOOOS"]
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["184630636","C1=CC=[S+]C=1C1=c2cc3ccccc3cc2=C[N-][N-]1.[Ir]"]
["179145044","C.C1=CC=C=C2S[CH-][N-]C=12.[U+2]"]
["98614490","C1=C[CH-]SC=1C1=C=CC=[S+]1"]
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["79567705","[CH-]=C1[C-]=CC=C=C1C.[K+].[K+]"]
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["78283564","[S]CC(Br)(Br)C(Br)(Br)Br"]
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["175426230","[CH2-]CC.[Y].[c-]1ccccc1"]
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["62147591","CC(Br)(CBr)CCO"]
["79837304","BrC(Br)(Br)Br.ClC(Cl)(Cl)Cl"]
["79475661","BrCC(Br)(Br)C(Br)(Br)C(Br)(Br)Br"]
["87476441","CC(CC(O)=NC(C)(CBr)CBr)C(C)(C)C"]
["158125848","N=C(O)Cn1ccc(Br)n1"]
["79818312","CCCC(CC)(CC)CC[S]"]
["174843478","C.c1cc[nH]c1.c1ccccc1"]
["79403000","[70Ar]"]
["164568977","[O-]Nc1ccc2c(c1)CC1=C[C+](N[O-])[CH+]C=C12"]
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["88414155","Nc1ccc(S(N)(=O)=O)cc1Nc1ccc(I)cc1"]
["141478549","CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)COC3)cc1"]
["47597437","CNc1ccc2c(c1)N=C(O)C(CO)C2"]
["159970227","Cn1nncc1CNc1ccc2c(c1)COC2"]
["146910196","Cc1ccc(NC(=N)NC2CCC23CCCC3)cc1C"]
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["78335858","CB(O)Nc1ccc2c(c1)Cc1cc(/N=C\\B=O)ccc1-2"]
["88990520","c1cc2c(cc1CNC1COC1)OCC2"]
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["98588757","CC.CC(=O)CC(=O)Nc1ccc2c(c1)CCC2"]
["174129091","C1CCC2CC(C3CCC4CCCC[O+]=[Si]4OC3)O[Si]2OC1"]
["179597484","C=C1OC2CC3CCCCC3CC2N1C"]
["76780674","C=C1C2CC(OC3CCCCO3)C(C2)C1(C)C"]
["178797929","C1CC2=C(CC2)C2CCC3CC4CC5=C4C(CC5)C3CCC2C1"]
["160702828","O=C(CN1CCC(O)C12CCCC2)N1CCOC2CCCCC21"]
["158402311","N=c1nc([C@@H]2CC[C@@H]3C[C@@H]3C2)o[nH]1"]
["170836293","C1CC2=C(C1)C1OC1CCC1CC1CCC2"]
["165151712","Cc1cccc(C2CCC(C3CCCCO3)CC2)c1F"]
["103878385","N[C@@H]1CCOC[C@@H]1C(O)=NO"]
["19606339","Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1"]
["75418865","CC1CCC2CCCCC2O1"]
["179675876","COC(=O)CCSCC1C2CCCCCCC(CC2)C1CSCCC(=O)OC"]
["195558316","C1=IC[C-]2C[I+]C[C-]12"]
["178691365","C1=IC2C[C-]1C2"]
["179481067","C[C-]1C=ICC1"]
["172851020","CO[C-]([O-])c1ccc(O[C-]2C=IC[I+]C2)cc1"]
["179888716","C[C-]1C[I+]C[C-]1Cl"]
["180920079","C1C[C-]([C-]2CC[I+]C2)C1"]
["179498450","C[C-]1C[I+]C[C-]1O"]
["180756809","CC1=N[C-](C)C=IC1"]
["180088426","[NH-][C-]1CC[I+]C1"]
["195554551","CC1(F)CS[C-]2C[I+]C[C-]21"]
["175742542","C1=CCI=C1"]
["180818434","[O-][C-]1C[I+]CO1"]
["178220373","C#C/C=C1/S[N+]2(SC(C=C)=C(C=C)S2)S/C1=C/C"]
["162361669","C#CC=C1CCNCC1(C)C"]
["186725207","C=C/C=C\\C(O)=C(/C=C)C1NC(=C/C)/C(=C\\C)S1"]
["194663739","C#C/C=C1/OC(F)(F)O/C1=C/CC"]
["180127401","C#CC(=C)/C(C#N)=C/C"]
["180419076","C=CC1=C(CC)CC(C)C1C"]
["173467051","C=CCC1C(C=C)=C1/C(=C\\C)[C@H](C)[N+](C)(C)C(=O)CNC"]
["25545225","C=Cc1ccc(OC)c(OC)c1OC"]
["150405085","C=CC=C1OCCSC1=CC"]
["191367376","C#CC=C.C=Cc1ccc2ccccc2c1C=C"]
["43605157","C#C/C=C1C(=C\\C#N)/OC/1(C)C"]
["195903894","C=c1cc/c(=C/C)c2c(C)c3nc(C#N)c(C#N)nc3c(C)c12"]
["174357278","C=C1C=CC=C2CCCC3=CNB(C=C3)CCB(/C=C\\C=C/C)N12"]
["175182928","C=CC(C)(C)C(O)=NC1=CC=CC2=C3NCCCC3CCC12"]
["170382377","C=C/C=C1/CC(CC/C(=C\\NC2=CC=C(CC)CC2)CC)=CC=C/C1=C/C"]
["177821016","C=C1[CH]C=CC=C1C(=O)N1CCc2nn[nH]c2C1"]
["110719771","C/C=C\\C=C\\C(O)=NN=C(O)c1csc(N2CCOCC2)n1"]
["90169","C=C1C=CC(=O)OC1/C=C/C=C/C"]
["144812772","COC(=O)C1CCCC2=CN/C(=C3/C=CC=CC3=O)N21"]
["174864090","C/C=C\\C=C/CCC1=CC=CC(N)C1"]
["161272514","C=C(/C=c1/cc(/C=C\\C=C/C)o/c1=C/C)/C(=C/C(=C\\C)C1=C(C2=CCCCC=C2)CCC=C1)CC"]
["189124296","C=C1/C=C\\C=C/C(=C)/C(=C/C=C\\C)C(C)/C=C\\1"]
["174182673","[B+]=S([O-])N[C@H](CC(O)=N[C@@H]1CCC(C=C)=C1/C=C\\CC)C(/C=C\\C)=C/C=C\\C"]
["160212065","CC(C)c1cc(C(=O)N2CCCCO2)cc(O)n1"]
["101150514","F[B-]1(F)[PH3][B-]([F+])([F+])[PH3]1"]
["79740842","FP(F)(F)(F)F.[F-].[Li+]"]
["145683060","F[B-]1(F)O[B-](F)(F)O[B-](F)(F)O1"]
["97270037","C[N+]1(C)OSO[B-]1(F)[F+]"]
["98779642","CC(N(C)C)N(C)C.FP(F)(F)(F)F.[F-]"]
["170600494","F[B-](F)(F)[O+]1[B-](F)(F)[O+]([B-](F)(F)F)[B-]1(F)F"]
["22823043","CN(C)[P+](Br)(N(C)C)N(C)C.FP(F)(F)(F)F.[F-]"]
["161918019","F[O+](F)F.[F-].[W]"]
["97458739","[2H]C(F)=[F+]"]
["42714216","C[P+]1(C)[B-](F)(F)[P+](C)(C)[B-](F)(F)[P+](C)(C)[B-]1(F)F"]
["96994796","F[B-]1([F+])N(c2ccccc2)N=Cc2cccc[n+]21"]
["174446627","FP(F)(F)(F)F.[F-].[K+]"]
["91312698","C12[Si+]3C4[Si+]1C1[Si]25C3[Si]415"]
["55656471","IC1CSC=N1"]
["195310175","CC1C2C3N2C13C(C)(C)C"]
["84949645","CCC(O)C(C)C1CC(C)CC(C)C1"]
["173720245","C1=CC2CNCN(C1)C2"]
["75332643","[CH]1C2CN3CCN(C2)CC1(c1ccccc1)C3"]
["26860927","[CH]1C2CC3CC1CC3C2"]
["68017173","CC1C(I)C1(C)C"]
["199380941","I[C@H]1CC[C@@H]2[Se][C@H]1CC[C@@H]2I"]
["179593410","CS1(C)OC2C(O1)[Si]2(O)O"]
["149776201","CC1C2C3C2C3N1S"]
["171565471","CC1C(C)C(C)(CBr)C1C"]
["174054975","[B+]=[SiH2-]B=[SiH2-][B+][SiH2-]=[B+]"]
["99082842","PNB=C1CO1"]
["182982067","[B+]=[SiH2-]O[SiH2-]=[B+]"]
["173365007","[B+]=[SiH2-]P.[V].[Zn]"]
["101724126","[B+]=[SiH2-][SiH2][SiH3]"]
["173077244","[B]=[SiH2-][B+]N"]
["180986804","[B+]=[SiH2-]OC"]
["161720623","C1#C[Si]#CC#[Si]CC[Si]#CC#[Si]1"]
["99737352","ClCCN1CC[Si]CC1"]
["161719628","C1#C[Si]#[Si][Si]#[Si]CC1"]
["8801882","Cc1[nH]c(C)c2c(=O)n(C)ncc12"]
["180219933","CN1C=C=NCC1Cl"]
["178400276","CC(C)C1CC2C3CCC2C3C1"]
["173626552","CN1C[C@]23C[C@]12CN3N"]
["180700678","CN1C=C(CN)CCC1=O"]
["178882517","CN1CC(CNC(O)=NCCN)OC1=O"]
["169823999","CN1C(=O)N(N)C(=O)C1(C)C"]
["26563786","CN1CC(=O)N(N)C1=N"]
["161682104","C1#[Si]CCCCC1"]
["43639137","B1=[B-]2B3B4B3[B-]142.[Ca+2]"]
["177287879","B1=[B-]2[B+]B12"]
["68111650","B1=[B-]2B3B4B3[B-]142"]
["61796944","B1=[B-]2B1B1B=[B-]12"]
["23405926","B12B3[B-]14B1B4[B-]231.[Ca+2]"]
["170471866","BB1B=[B-]1B"]
["167254291","CN(C)B1B=[B-](N(C)C)[N+]1(C)C"]
["161889600","N=[Se]1C=CC=C1"]
["97493116","B1=[B-]2[B+]B1CC2"]
["91417316","B1=[B-]2B3[B+][Si]132"]
["50285880","B1=[B-]2B1B1B=[B-]12.[Sr+2]"]
["168518081","[Si+][P-]1(#[Si+])[B+][P-](#[Si+])([Si-])[B+]1"]
["100977582","C/C(N)=C/O[SiH3]"]
["100977583","C/C(N)=C\\O[SiH3]"]
["57451091","[Si+][Si]#[Si-]"]
["168481866","[Si+]#[P-]1([Si-])C=C[CH+]C=C1"]
["161660506","[Si+]#[Si-].[Si+][Si]#[Si-]"]
["62485512","FC(F)([Si-])C(F)(F)CO[Si](=[Si+])CC(F)(F)C(F)(F)C[O+]=[Si-]"]
["181553694","C[SiH](OCC(F)(F)C(F)(F)F)[Si](C)(C)C"]
["25641243","[CH2]C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC(C)C"]
["99553178","C=C[Si-](C)([O+]=[Si-])=[Si]=[O+][Si](C)C.C[Si](CCC(F)(F)F)[O+]=[Si-]"]
["111014631","CCCC(F)(F)C(F)(F)COCC(F)(F)C(F)(F)CCC"]
["99489085","CCCC(C[O+]=[Si-])(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC"]
["50969861","CC(F)(F)C(C)(F)OCC(F)(F)C(F)(F)S(=O)(=O)O"]
["54248265","COC(F)(F)C(F)(F)C(F)(F)CF"]
["184853282","F[B-](F)(F)OCC(F)(F)F.[Li+]"]
["65132931","CC(C)(CCC(F)(F)C(F)(F)F)[O+]=[Si-]"]
["66067047","CCOCC(F)(F)C(F)(F)C(F)C(F)(F)F"]
["109298029","F[C@H](C(F)(F)F)C(F)(F)COC(OCC(F)(F)[C@@H](F)C(F)(F)F)OCC(F)(F)[C@@H](F)C(F)(F)F"]
["170469706","ClB=[BH-][BH-]1BB1"]
["83440808","C[N+](C)(C)[B]Cl"]
["84146531","C=[C-]C(Cl)Cl.[K+]"]
["150699112","ClB=CI"]
["78407626","[2H]N=BCl"]
["175128466","F[B]Cl.[Cs+].[H-]"]
["172096431","PP[B]Cl"]
["61080705","ON=BCl"]
["200268386","Cl[B]N1CCCC1"]
["154270197","B1BB[BH2-]BBBB[BH2-]B1"]
["175580103","[SiH3]O[B]Cl"]
["53853562","C=[C-]C(Cl)Cl.[Li+]"]
["99816605","P1=P[P+]2=PC12"]
["173311984","CC1P=PP=P1"]
["46432017","C1=[O+]C1[CH-]C[CH-]C1C=[O+]1"]
["25753365","CC1[C-]=[O+]CC=C1"]
["60853884","FC1CCCC1F"]
["145658316","IC1P=P1"]
["149979047","[C-]#[N+]C1OC(=O)OC1F"]
["47083689","[O-][N+](NF)(NF)NF"]
["175815137","[2H]C1(F)N(F)C=CN1F"]
["75018598","FC1OC(F)C1F"]
["97312858","F[C@H]1CCCC[C@@H]1F"]
["97734547","P1=PC2C3C1C23"]
["43607863","OOPOOPOPOPOO"]
["183855907","CCCOPOPO"]
["78549550","OOOPOOO"]
["171881938","[Al+].[CH2]POO"]
["63324735","OOOOPOOPOO"]
["54076939","OOOPOOOPOPOOPOOO"]
["161901247","OOC1(O)CCOO1"]
["65919936","O=[S-](=O)OO.[CH3-].[Mg+2]"]
["79721797","OOC1CCO1"]
["64600227","[O-]OPOO"]
["100838205","BOOOPO"]
["150503195","OOOPOO"]
["175237070","O1[SiH2]SSSS1"]
["79121489","O1OSSSS1"]
["175237069","C=CC.O1[SiH2]SSSS1"]
["79135320","O1SSS1"]
["185543041","O=C1OP(=O)(OP2(=O)OSSSSO2)O1"]
["161900117","C1=[Ge]=S=[Ge]=C1"]
["185567576","OB1OSSSO1"]
["25464797","O=C1OSSSSO1"]
["79121037","O1OSSSO1"]
["159047076","O1SSSSSSS1"]
["74801745","OC1=NOSS1"]
["179051598","CC1=C(C)SS[SiH2]1"]
["182545369","[N-]=[N+]=NNC(S)=NC1(NC(S)=Nc2ncc3ncnc-3[nH]2)C=Cc2cc(N=C(S)Nc3ncc4ncnc-4[nH]3)c(N=C(S)Nc3ncc4ncnc-4[nH]3)c(N=C(S)Nc3ncc4ncnc-4[nH]3)c2N1"]
["182824343","[N-]=[N+]=NNc1nc(NC2CCOCC2)ncc1N=C(S)Nc1c(F)cc(Cl)cc1Cl"]
["MCULE-3149188962","C=CC(O)=Nc1cccc(-c2ncc3ncnc-3[nH]2)c1"]
["54591340","C=Cc1ncc2ncnc-2[nH]1"]
["99331413","O=P(O)(O)CO/C=C/Cc1ncc2ncnc-2[nH]1"]
["180393089","C[C@@H](NC(=O)c1cc(C2=IC=NC=C2)ncn1)c1cc(-c2nc3cnc(C(C)(C)I)[nH]c-3n2)no1"]
["183951390","N#[N+]N([O-])c1ncc2ncnc-2[nH]1"]
["23585290","Sc1ncc2ncnc-2[nH]1"]
["171732380","CCCCCOC(=O)N(c1ncc2ncnc-2[nH]1)[C@@](Cl)(CCCNC(=N)N)C(=O)O"]
["MCULE-8901498358","OC(=Nc1ncc2ncnc-2[nH]1)c1cncc(F)c1"]
["186018933","CCC(O)=Nc1cc(Nc2nccc(-c3[nH]c(CCCO)nc3-c3ccc4occc4c3)n2)c(OC)cc1N(C)CCN(C)C"]
["183515658","CC1CCCc2nc3c(F)cc(-c4nc(Nc5ncc(N=[N+]=[N-])cn5)ncc4F)cc3n21"]
["170467508","O1OP23(O1)OP14(OOO1)OP1(OOO1)(O2)OP1(OOO1)(O3)O4"]
["193523801","C.C.c1ccc(OP2(Oc3ccccc3)(Oc3ccccc3)OOO2)cc1"]
["53155828","C1C2CC3CC1OP1(OOO1)(O2)O3"]
["174970070","OP1(O)(O)OO1.[Ti].[Ti]"]
["49703714","c1ccc(OP2(Oc3ccccc3)(Oc3ccccc3)OOO2)cc1"]
["174762377","OP1(O)(O)OO1.[Zn].[Zn]"]
["173935441","OP1(O)(O)OO1.[Cu]"]
["174727419","[Li+].[Ni+2].[O-]P1([O-])([O-])OO1"]
["66588148","C1CN1P1(N2CC2)(N2CC2)OO1"]
["173447303","OP1(O)([SiH3])OO1"]
["97437246","COP1(OC)(OC)OOO1"]
["79406522","NP1(N)(N)OO1"]
["97254523","[SiH3][C+]1[SiH2]C(=[SiH3-])[SiH2]1"]
["96892127","[SiH3]c1c([SiH3])[c+]1[SiH3]"]
["161690178","Fc1c(F)c(F)c(S2(c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)C=CC=C2)c(F)c1F"]
["48348195","CC1=CC=C[NH+]1S[NH+]1C=CC=C1C"]
["181759047","[Na+].[SiH3-]=C1C=CC=C1"]
["189125520","CC(C)NC(O)C(C)(C)O"]
["78236646","[SiH3]C1=C([SiH3])[SiH2][SiH2]1"]
["42320404","C=C1C2=CC=CC=C(C2)C(=C)C2=CC=CC=C1C2"]
["182594974","[SiH3]C1=C([SiH3])C([SiH3])=C([SiH3])C1=[SiH3-].[Zr]"]
["96993670","CC1=CP(C)OP1C"]
["194458674","CC1=CC=C[NH+]1S[NH+]1C=CC=C1C.[Ar]"]
["185432586","O=C1[C-]=CC=C1"]
["195557693","C=Nc1c(C#CI=C=[C-]c2c(N=C)c(N=C)c(N=C)c(N=C)c2N=C)c(N=C)c(N=C)c(N=C)c1N=C"]
["169997214","C=Nc1c(C=NC)cccc1CC"]
["179972603","C=Nc1c(C(=O)OC)ccc(OC)c1C"]
["195712264","C#CNc1c(N)c(C)c(ON)c(C)c1N=C"]
["197798227","C=Nc1c(C(=NCC(F)(F)F)N2CCCC2)oc2ccccc12"]
["195327801","C=Nc1c(C=O)ccc(Br)c1/C=C\\C"]
["175702836","C=Nc1c(S)cccc1CC"]
["55464944","C=Nc1c(C(=O)O)ccc(C)c1C"]
["195454574","C=Nc1c(NN)c(C)c(NI)c2c1C(N)=C(C)CC2"]
["180936662","C=Nc1c(C)c(C)n(C)c1C"]
["176555264","C=Nc1c(Br)ccc(C#N)c1N=C"]
["150030961","C=C=Cc1c(C)c2c(=C)c(C)c(N=C)c(=O)n2c1C"]
["97848028","O=S=N[Si](N=S=O)(N=S=O)N=S=O"]
["171714294","O=S=S(=O)=O.[Na+].[Na+]"]
["103066789","C[Si](C)(C)N=S=N"]
["176034411","O=P(=O)SP(=O)=O.[Ge].[Li+]"]
["175575661","O=P(=O)SBr"]
["173648730","CC.CCCN=S=O"]
["169945518","Nc1ccc(SSc2ccc(N=O)cn2)nc1"]
["170923573","O=S=Nc1ccc(C(=O)c2ccccc2)cc1"]
["62100639","C[Si](C)(C)SP(C)(C)=O"]
["78222279","O=S=O.[CH2][OH2+].[Zn-]"]
["65668799","O=S=Nc1ccc(C(=O)Cl)cc1"]
["91454851","O=S=Nc1ccc(C(=O)N=C=S)cc1"]
["64671333","[2H]c1nc([2H])[n+]2n1CC(SSC1Cn3c([2H])nc([2H])[n+]3C1)C2"]
["147409091","Clc1cnc(N2CC3CC2CO3)nc1"]
["105153750","C[C@@H]1CCCC[C@@]1(C(=O)O)n1ccnc1"]
["MCULE-3309472359","CC(=CC(=O)N1CCC(O)C1)c1cccnc1"]
["8764430","CS(=O)(=O)NC1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1"]
["76177961","CN=C(O)N1C=CSC1N1CC(SC(C)=O)C1"]
["173965528","ClC1C=NN(Cl)C1"]
["195819497","CC1CCCCCC(C(=CN)N2CC(SC(=O)c3ccccc3)CC2=O)=NC1"]
["113945936","CCCC(CNC1CC1)Cc1cn(C)nn1"]
["101936752","CC(=O)N1CC(Nc2cncc(C(C)(C)C)c2)C1"]
["162521675","c1cc(N2CC3CCC2C3)ncn1"]
["170661121","O=C(O)N1C=CC2OC2C1"]
["184614179","CC1CCC2=C(N1)C1C3=C(N=C(O)CC3)c3c4c(c5c6c3C1C1=C2C2=C(CCC(O)=N2)C(C2=C5CCC(O)=N2)C16)N=C(O)CC4"]
["86437853","CC(C)Oc1nc(=NC2CCC(O)=NC2=O)nc(NN)[nH]1"]
["184423416","CC(N=C/C(=C\\N)Oc1ccc2c(c1)C(=O)N(C1CCC(O)=NC1=O)C2=O)N1CCNCC1"]
["82007321","CCCC1NC(c2ccc3c(c2)CCN3C)N=C(O)C1I"]
["177844479","CCc1c(C)c2c(c(C)c1-c1ccc(C)cc1)C1NCCCC1C(O)=N2"]
["25521781","COc1ccc(CCNCC(O)COc2ccc(O)c3c2CCC(O)=N3)cc1OC"]
["104503902","Cc1cccc2c1N=C(O)[C@]21[C@H](C(=O)c2ccccc2)[C@]2(C(O)=Nc3ccccc32)[C@H]2CCCN21"]
["78272174","N=C(O)Nc1ccc(OCCCN2CCN(/C=C/c3ccccc3)CC2O)c2c1N=C(O)CC2"]
["176384964","C[C@H]1C=C(c2cc3c(cc2F)c(N2CCC(O)=NC2=O)nn3C)CCN1C(=O)OC(C)(C)C"]
["107476841","OC1=Nc2c([C@H]3CCCCO3)ccc(O)c2CC1"]
["157021881","CCc1cc2n(n1)CC[C@H](C)N2"]
["161072628","CC1CC=C(c2nc(-c3cccc4c3N=C(O)C4)no2)CC1"]
["100853562","N#CC#CC#C[CH+]C#N"]
["177611148","N#CC#N.OBr"]
["108990475","C[C@@H](N)C(=O)C#N"]
["91626306","CCC(=O)C#CC#N"]
["45553274","CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N"]
["78493443","BC#CC#N"]
["163317521","N#CC#CCNC1CCCC1"]
["174658225","F[B-](F)(F)F.N#CC#N"]
["91569116","N#CC#CC#CF"]
["172788541","Cl.Cl.N#CC#N"]
["192016436","N#CC#N.[Cr]"]
["32421846","C[Si](C)(C)/C=C/C#CC#N"]
["178936611","[NH-]CI1CC[I]C[I]1"]
["75400096","C1[I]C[I]C[I]1"]
["180200068","[CH2-][I]C1CC12CC[I]C2"]
["181221499","[NH-]CN1CCCCS1"]
["187067664","[NH-]C[C-]1CCNCC1.[W].[Y]"]
["179002499","CCCI1=ICCI=1"]
["180862341","[CH2-][CH-]I1C[I]CC[I]1"]
["79838412","N.[NH-]CS(=O)(=O)[OH2+]"]
["173547883","[O-]CCI1CC[I]CC[I]1"]
["178918686","OCI1#CCCC1"]
["178316890","CCCC(CCC)I1CCCCC1"]
["178143783","CCC(CC)I1CCCC1"]
["171671825","O=C=C1C(=O)C2(C(=O)C2=C=O)[Si]2(C(=O)C23C(=O)C3=C=O)C1=C=O"]
["177108148","COCC1=NC(=O)N=C(c2ccc(F)c(F)c2)C1=C=O.Cl"]
["175093889","O=C=C1C(=C=O)C2=C(C1=C=O)C(=C=O)C(C(=O)O)=C2"]
["175736647","C=C1CC(=O)C(=C=O)C(=O)C1"]
["161699610","O=C=CC1(C(=C=O)C(O)=C=O)C(=O)C1=C=O"]
["75448555","NN=C(O)C1=C(Cl)C=C(Cl)C(=C=O)[C]1Cl"]
["187192394","O=C=C1C(=C=O)C(=C=O)C1=C=O"]
["75682006","CC1(C)C(=O)[C@]1(O)[C@]1(O)C(C)(C)[C@]1(O)[C@H](O)[C]=O"]
["99621051","C[Si](C)O[C@]1(C(O)CCCO)C(=C=O)[C@@H](C(C)(C)C)CN1OC(C)(C)C"]
["83412990","N=C1N=C(O)C(=C=O)C(=N)N1"]
["78183328","O=C=C1NC(=C=O)C(=C=O)C(=C=O)C1=C=O.[Cr]"]
["74150076","COC1CSC(=C=O)C1=O"]
["98836083","C1=CSNC=S=C1"]
["74426043","C1=CNSC=C1.CC(=O)O.O=[PH](O)O"]
["177186152","Br.Br.C1=CSNN=C1"]
["185864070","ClN1C=CSN1"]
["195335239","Cl.O=C1C=CC=CSN1"]
["54489002","C1=CNSC=C1.c1ccc(Nc2ccccc2)cc1"]
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["119360627","Cc1cnn(CCN=c2[nH]c(NN)nc3ccsc23)c1"]
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["97030654","CC1=C(C)c2nc1cc[c+]1[nH]c(c3[n-]c(ccc4[nH]c2c(C)c4C)c(C)c3C)C(C)=C1C"]
["199914767","CCN1CCc2cc(Nc3ncc(C(F)(F)F)c(-c4cc5c(s4)C(=O)N(C4CCC4)CCS5(=O)=O)n3)c(Cl)cc2C1"]
["169860006","Cc1ncc(C(F)(F)F)c(-c2cc3c(s2)C(=O)N(C2CC2)CCS3(=O)=O)n1"]
["199915494","O=C1c2sc(-c3nc(Nc4cc5c(nc4C4CC4)CNCC5)ncc3C(F)(F)F)cc2S(=O)(=O)CCN1C1CC1"]
["31435791","Cc1nc(NC2CC2)[nH]c(=N[C@@H]2C[C@H](CS(=O)(=O)c3ccccc3)[C@@H](O)[C@H]2O)c1-c1nc2c(C3CC3)nccc2s1"]
["76464284","COC(=O)C=Cc1c2nc(c(C)c3nc(c(C)c4[nH]c(c(C)c4C)c(C=CC(=O)OC)c4[nH]c1c(C)c4C)C(C)=C3C)C(C)=C2C"]
["199915784","Cc1cc2c(cc1Nc1ncc(C(F)(F)F)c(-c3cc4c(s3)C(=O)N(C)CCS4(=O)=O)n1)CNC2"]
["101011622","C[Te+]1CCCSCCC[Se]CCC1"]
["174419123","C1CCSCC1.NS(=O)(=O)O"]
["172814862","C[Si](C)(C)[S+]1CCCSC1"]
["106059846","Cc1cc(N[C@H]2CCCSC2)ccc1Br"]
["78615546","C1CCSC1.[Fe]"]
["176088431","C1CCSCC1.CC.O"]
["89569544","CCC(CCO)C1CCCSCC1"]
["197290008","CC1CCCC(O)(C2(CO)CCCSC2)C1"]
["120503870","CC(=O)CC1(C(=O)O)CCCSCC1"]
["159114253","C#CC[C@H](N)[C@H]1CCCSCC1"]
["149752968","CC(C)CCB1CCCCCCSCC1"]
["50390383","CCCN(C(C)C)C1(CN)CCCSC1"]
["179091171","S1I=IC2=C1I=IS2"]
["59260758","Cc1cc(N[Si](C)(C)C(C)(C)C)sn1"]
["91163080","[Te]=C1SC(=C2SC(=[Te])C(=[Te])S2)SC1=[Te]"]
["173864496","OC1=IC=IC(O)=I1"]
["178574857","CC1=CCNI=N1"]
["97654362","C[SiH]1SC(=C2S[SiH](C)[SiH](C)S2)S[SiH]1C"]
["184973681","N=C1NC=IS1"]
["66854333","Fc1nc(F)nc(C(F)(F)F)n1"]
["97282570","CSC1(SC)SC(=C2SC(SC)(SC)C(SC)(SC)S2)SC1(SC)SC"]
["179378513","CC1=C(C)I=IS1"]
["179803046","CC1=C[N-]I=I1"]
["179661104","Ic1cc2c(s1)SI=I2"]
["57962567","N=IN=IP"]
["79287953","N=NP.[Ca+2]"]
["180145331","C/C=C(\\C)C=NI=N"]
["186080397","CC(C)(C)N=S(=N)(N)N"]
["193071693","C=S.[B]=N[I]P"]
["192025269","[BH3-]I=N"]
["176691375","O=IP"]
["179714885","N=ICC1=CC1"]
["67976144","[3H]N=II(P)S"]
["54265643","N=IPP"]
["60923573","C[Si](C)(C)I=N"]
["184317413","CC1OC1I=N"]
["192446821","C=[As](=S)S[As](=S)=S"]
["100535798","C=S=C=S"]
["68430419","S=P(S)(S)SCSP(=S)(S)S"]
["46684810","CS[As](SC)SC"]
["170558604","S[As](S)S[As](S)S"]
["91168407","PSSP=S"]
["56342542","CCOC(=S)S[As](SC(=S)OCC)SC(=S)OCC"]
["23930998","S=[As](=S)S[As](=S)=S"]
["79212516","[CH2]CSC=S"]
["44083606","C[As](C)S[As](C)(C)=S"]
["98297206","C=C[SiH2]SO"]
["172994961","CC[As](=S)=S"]
["61610265","C[Si](C)[O+]=[Si-]O[Si](O[Si-]=[O+][Si-](C)C)=[O+][Si-]=[O+]C(C)(C)S"]
["52030736","CC(C)(C)O[C@@H]1[C@@H](OC(C)(C)C)C[N@+]23CC[C@H](C[C@@H]12)O3"]
["50436162","C[Si](C)[O+]=[Si-]O[Si](C)(C)c1ccccc1"]
["99430946","CC(O)C(N=C(O)OC(C)(C)C)(O[Si-](C)C(C)(C)C(C)C)[O+]=[Si](C)C(C)(C)C(C)C"]
["99354338","C[Si](C)C(C)(C)COCC#CC(F)(F)Br"]
["57826811","CC(C)COCCCC(C)(C)C(=N)S"]
["70244849","C=C(C[Si-]=[O+][Si](C)(C)C[Si](C)=[O+][Si-](C)C)C(C)C"]
["99361497","C[Si](C)[O+]=[Si-].[Au]"]
["16802400","COCC(C)(C)NS(=O)(=O)c1cccs1"]
["99600599","C=C[Si](C)=[O+][Si]#[Si]O[Si-](C)(CCC(F)(F)F)=[Si]=[O+][Si-](C)C"]
["99382815","CO[Si](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC"]
["82342477","C[Si](C)=[O+]C1([Si-](C)C)C(=O)N(C(C)(C)C)C1C(C)(C)C"]
["65215572","C=N[CH-]CC=NCCCN=CC[CH-]N=C.[CH3-].[Pt]"]
["100471796","COC(=O)CCCCN=CN(C)C"]
["174115928","C=CNN=CCC"]
["79426080","C=CC[NH-].[Zr+]"]
["188330929","C/C=C(C)\\C=N/CCCC(=O)OC"]
["195970731","C=I(C)(CI)CN=O"]
["168560003","Cc1cc(CC(C)(C)C)cc(C=NCCCN=Cc2cc(CC(C)(C)C)cc(C)c2O)c1O"]
["173271598","CNCCCOCCOCCOCCCN=CO"]
["148764341","C=NC/C=N\\CCC"]
["MCULE-3016359872","O=C(CC(O)=NCCCN=CO)C(F)(F)F"]
["79055613","C/C=C\\[Si](C/C=N/CCCCCCCCCCCC)(CCC)CCC"]
["103004094","C=CCCCC(=O)CCC/C=N\\N(c1ccccc1)c1ccccc1"]
["171591439","[2H]C1=CC2C(C([2H])=C1[2H])C1C([2H])C(C3C([2H])C([2H])C4C(C3[2H])C3C([2H])C([2H])C([2H])CC3N4C3=C([2H])C([2H])CC([2H])=C3[2H])C([2H])C([2H])C1N2c1c([2H])c([2H])c(C2=C([2H])C(C3CC([2H])C([2H])C([2H])C3[2H])=C([2H])C([2H])C2[2H])c([2H])c1[2H]"]
["171591463","[2H]c1cc(C2CC([2H])C([2H])C([2H])C2[2H])cc([2H])c1[2H]"]
["183035839","[2H]C1=CC([2H])(N=[N+]=[N-])C([2H])C([2H])=C1[2H]"]
["199197880","[2H]C1=C([2H])C([2H])C(C2=C([2H])C([2H])C([2H])C(C3=C([2H])C([2H])C([2H])C([2H])C3[2H])C2N2c3cc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)ccc3B3c4ccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)cc4N(C4C(C5C([2H])C([2H])=C([2H])C([2H])C5[2H])=C([2H])C([2H])C([2H])C4C4=C([2H])C([2H])C([2H])C([2H])C4[2H])c4cc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cc2c43)CC1[2H]"]
["111203226","CC(C)NCC1CCCN(Cc2cc(Br)c(Cl)s2)C1"]
["191542828","CN(C)c1nc(-c2cccc(C(=O)N3C[C@H]4CN5C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\\[C@@H]6C[C@@]6(C(O)=NS(=O)(=O)C6CC6)N=C(O)[C@@H]5[C@H]4C3)c2)cs1"]
["23106034","CC(C1CC1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2"]
["198511444","[2H]c1c(C2C([2H])C([2H])C3C(OC4C([2H])C([2H])C(C5C([2H])C([2H])C([2H])C([2H])C5[2H])C([2H])C43)C2[2H])c([2H])c2c([2H])c([2H])c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c([2H])c2c1[2H]"]
["51180690","[2H]c1c([2H])c(C([2H])([2H])Sc2nc(=O)c3c(n2C([2H])([2H])C(=O)N(C([2H])([2H])c2c([2H])c([2H])c(-c4c([2H])c([2H])c(C(F)(F)F)c([2H])c4[2H])c([2H])c2[2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C)C([2H])([2H])C)C([2H])([2H])C([2H])(C)C3([2H])[2H])c([2H])c([2H])c1F"]
["188205633","OC(Cn1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C=C[C@H]21)=N[C@@H](Cc1cc(F)cc(F)c1)c1nc2nc(C#Cc3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)sc2cc1-c1ccc2c(c1)C(O)=NC2"]
["2417003","C[C@H](C1CC1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2"]
["194037602","CN(C)c1nc(-c2cccc(C(=O)N3C[C@H]4CN5C(=O)[C@@H](CC(=O)OC6CCCC6)CCCCC/C=C\\[C@@H]6C[C@@]6(C(O)=NS(=O)(=O)C6CC6)N=C(O)[C@@H]5[C@H]4C3)c2)cs1"]
["78518005","CCC1C2C34CC56C7C3CB4CC23/C(C)=C2/N4CC8C9C%10CN%11CC9(/C4=C4/N9CC%12%13C%14C%15C%16CN(CC%17(C)C%16C%16CN%18CC%16C%16C4(C%18)C%12C%16%14%17)CC%15%13/C9=C4/B9CC%12C%13C%14C%15CB(CC%16%17CB%18CC(C%15%16)C%13C4(C%18)C%17C)CC%12%14/C9=C(/C)C49CB%12CC7C5(C%12)C4C16C93)C1C23CN2CC4C(C2)C3C81C(C)(C%11)C4%10"]
["164527343","CC1=CC(=O)[C@@H]2[C@@H](C1)[C@]13CO[C@@]4(C1)N1C[C@H]5C[C@H](C)C[C@]1(CC[C@@]4(C)C1(COC(=O)C1)[C@H]3C(=O)[C@@H]2C)O5"]
["180550322","CCC1C2C3C(C)C4C(C)C(C(C)C)C3C3C5C6C7CC8C9=C(C)C(=C9C8C)C7C6(C)C56CC4C36C2C1(C)C"]
["83029616","CC1(C)CN2CC3C1C1CN4CC1C1C5C6CN7C(=O)C1(C4)C5C(C2)(C7=C1N2CC4C5C7CN8CC5(C2=O)C2C15CN1CC9C(C1)C5C42C(C)(C8)C97)C63"]
["29213895","CC1(C)CN2CC3C1C1CN4CC1C1C5C6CN7C(=O)C1(C4)C5C(C2)(/C7=C1/N2CC4C5C7CN8CC5(C2=O)C2C15CN1CC9C(C1)C5C42C(C)(C8)C97)C63"]
["180459556","CCC12CC3CCC45C6CC3CC14C(C2)C1CC2C3C4C7C8C([I-]C9C%10CC%11CCCC%12CCC%13[I-]C%14C3C(C87)C9C%143CC%13(C%12%11)C%103)C3C6C(C15)C2(C)C34"]
["194219865","[2H]OC(C)=Nc1c([2H])c(F)c([2H])c(N2CCN(C([2H])([2H])CCCN(C([2H])([2H])[2H])S(=O)(=O)CC3C([2H])([2H])CCCC3([2H])[2H])CC2)c1[2H].[2H]OC(C)=Nc1c([2H])c(F)c([2H])c(N2CCN(C([2H])CCCN(C([2H])([2H])[2H])S(=O)(=O)CC3([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C)C3([2H])[2H])CC2)c1[2H].[2H]OC(C)=Nc1c([2H])c(F)c([2H])c(N2CCN(CCCC([2H])([2H])N(C([2H])([2H])[2H])S(=O)(=O)C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC2)c1[2H]"]
["176592239","C1=CCC2OCN(C3C=C4CN(C5=CCC(OC6C=CC(N7COC8CCC(N9COC%10C=CC=CC%10C9)CC8C7)=CC6)CC5)COC4=CC3)CC2=C1"]
["180082491","OC(=NC1=CCC2C(=C1)CCC2O)OCC1=C2CCC=CC2=C2C=CC=CC21"]
["178005186","C=CC1=CCC(OC2=CCC(C3(C4C=CC(C(C)(C)C)CC4)C4=C(CCC=C4)C4C=CC(N(c5ccc(C6=CC7C8CCCC=C8N(C8CCC(OC9C=CC(C=C)CC9)CC8)C7CC6)cc5)C5C=CC=CC5)CC43)CC2)C=C1"]
["82403005","CCCOC1CC=C(N2CCC(=O)CC2)CC1"]
["178704019","C1=CC2CN(c3ccc(N4COC5=C(C=CCC5)C4)cc3)COC2C=C1"]
["180280687","OC1CN(C(O)C2CCN(CC3=CCC(C4COC5=CC=CCC5O4)C=C3)CC2)C1"]
["175144978","CN=C(O)c1cccc(C2(c3ccncc3)C=Cc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3C2)c1"]
["CNP0084023.1","C[O+]=C1C=c2cc(C3CCCC3)c3c(O)c2C2=C1C=C[C@H](C1=C4C(=O)C=CC=C4N=C1)OC[C@H]1O[C@H](O2)[C@H](O)[C@@H](OC#CCc2cccc4c2CN(CC=3O)C4=O)[C@@H]1O"]
["178005184","C=CC1=CC=C(OC2CC=C(C3(C4CCCCC4)C4CCCCC4C4(C)CCC(N(C5=CC6OC7CCCCC7C6C=C5)c5ccc(C6CCC7C(C6)C6CC=CC=C6N7C6CCC(C=C)CC6)cc5)=CC43)CC2)CC1"]
["184355563","CC1OCc2c1c1nc[nH]c(=N)c1n2C1=CCC(Oc2ccccc2)C=C1"]
["177871003","CC1C=CC2=C(C1)C(C)(C)c1ccc3c(c12)C=CC3C1CCC(N(c2ccc(C3=CCC=CC#C3)cc2)c2ccc(C3C=CC=CC3)cc2)CC1"]
["76413321","O=C1C(Oc2ccccc2Br)=COC2C1CCC1OCN(C3CC3)CC12"]
["179877948","CC(C)(C)c1c[n+](CC(C)(C)c2ncc[n+](CC(C)(C)c3cnncn3)n2)cnn1"]
["5109154","CC(C)(C)OC(O)=NCc1ccc(Br)nc1"]
["89393420","CC(C)(C)c1cc(CCCC(=O)O)ncn1"]
["62785647","Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(C(C)(C)C)cc1)N(c1nnc(CC(C)C)s1)C3=O"]
["MCULE-7353763346","CCC(CC)N=C(O)c1ccnc(C(C)(C)C)c1"]
["154917122","CC(C)(C)c1cnc(CC(C)(C)c2ccc[nH]2)cn1"]
["51293851","CC(C)(C)c1ccnc(N=C(O)CN=[N+]=[N-])c1"]
["43230106","CC(C)(C)c1ccc2c(c1)NCC2CC#N"]
["178587736","C[n+]1ccnc2cc(NC(C)(C)C)cnc21"]
["52543796","CCC(N)Cc1nccc(C(C)(C)C)n1"]
["156030711","COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1oc(C(C)(C)C)nc1C#N"]
["193127620","CC(=O)C[C@H](O)CNCc1cnc2c(C(C)(C)C)nccc2c1"]
["100229790","C=C=C(C(CCCCN)N(C)C(O)C(CC(C)O)NC(O)C(CCCC(=C)C(C)N=C)NC(O)C(CC(O)[N+](=C)C)[N+](=C)C(C)O)[N+](=C)C(C)C(C)=O"]
["78670492","CC(C)(C)OC(=O)N(NC(=N)N)[C@@H](CCCCN)C(=O)O"]
["91604539","CON[C@H](CC(CCCN)c1nc2c([nH]1)C1CN=C(c3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](NO)C(C)C)[nH]c4c3)C=C1C=C2)C(C)C"]
["184195696","C=NCC[C@@H](N)C[C@@H]([NH-])CO[C-](C)C(=O)OC.[U].[U]"]
["97328799","C=C(CC)C(O)C(O)CCCCC(=O)OC"]
["138151940","CC(O)CC(C)CNC(O)=NCCC(=O)N(C)C"]
["172323251","CCCCCCCOC(=O)CCCC(CCCCCC)OC(=O)OCCN(CCCN(CC)CC)CCOC(=O)C(CCCCCC)CCCCCC"]
["184533188","C=CNCCC[C@H](N)C=NC(C)=NC(N)N[C@H](C)O"]
["52671073","CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(OC(O)=NCCCCN)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2OC(C)=O)[C@](C)(O)C[C@@H](C)[C@H](N=C(O)OC(C)(C)C)[C@H](C)[C@@H](O)[C@]1(C)O"]
["75271677","Cc1c(N)c(=O)oc2cc(C(=O)C(CCCCN)(C(=O)C(N)Cc3ccccc3)N(C(=O)C(N)CCCCN)C(=O)C(N)CCC(=O)O)ccc12"]
["81372099","COC(=O)C(CCCCN)N(C(=O)OC(C)(C)C)C(=O)C(CCCCN)N(C(=O)OC(C)(C)C)C(=O)C1CCC[N+]1(C(=O)OC(C)(C)C)C(=O)C(N)COC(C)(C)C"]
["78650927","CCCCc1ccc(-c2ccc(C(=O)N(C)[C@@H](CCCCN)C(O)=N[C@H](C(O)=N[C@@H](C)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](C)B(O)O)[C@@H](C)O)cc2)cc1"]
["99479479","CCCOP([NH+]=P(N=[P+](OCCC)Oc1ccc(C(C)(C)CC(C)(C)C)cc1)(OCCC)Oc1ccc(C(C)(C)CC(C)(C)C)cc1)Oc1ccc(C(C)(C)CC(C)(C)C)cc1"]
["44620250","CCNC(COc1ccc(C(C)(C)CC)cc1)C1CC1"]
["150015873","CCC(CC)N1C(=O)c2ccc3c4ccc(N(c5ccc(C(C)(C)CC(C)(C)C)cc5)c5ccc(C(C)(C)CC(C)(C)C)cc5)c5cccc(c6ccc(c2c36)C1O)c54"]
["56914120","CCCCCCCCCCCCCCCCNCCOc1ccc(C(C)(C)CC)cc1"]
["174022331","CCCOc1ccc(C(CCc2ccncc2)(NCCc2ccncc2)C(=N)O)cc1"]
["74206028","CCC/C(=N\\C(C)(C)C)c1ccc2c(ccn2CCOC2CCCCO2)c1"]
["63735102","CCCNCc1cc(COCCC(C)(C)C)oc1C"]
["23213499","CC(C)(C)CC(C)(C)c1ccc(OCC(O)=N/N=C/c2cc3c(cc2Br)OCO3)c([N+](=O)[O-])c1"]
["9349359","CCCN(C(=O)c1ccc(OC)cc1)[C@H](C(O)=NC(C)(C)CC(C)(C)C)c1ccc(OC)cc1"]
["10668800","CCCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1"]
["118676577","CCCOc1ccc(NC(O)=NC(C)(CO)CCC)c(C)c1"]
["MCULE-4583651510","CCCOc1ccc(N2C(=O)C(Nc3ccc(C(C)(C)C)cc3)=C(c3ccc(OCC)cc3)C2=O)cc1"]
["159394219","FC(F)(F)C=c1ccc2c(c1O[I+]Oc1c(CC(F)(F)F)ccc3c1CC1=CCCC=C13)C=C1[CH-][CH-]C=CC=21"]
["180176080","O=C1CC2=CCCC=C2C(O)=Nc2ccc(Cl)cc21"]
["179068961","O=C(O)CCCn1ccc2c1CCC=C2c1noc(C2C=C(Cl)C(OC(F)(F)F)=CC2)n1"]
["166401833","COC(=O)c1cccc(F)c1N=C(O)N1C2CCC(COCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)C1CC2"]
["170928836","CCN(CC)C(S)=N[C@H]1C[C@@H]2c3cccc4[nH]c(I)c(c34)C[C@H]2N(C)C1"]
["180023629","NN(c1nccc(I)c1CC(F)(F)F)C(C1=CCCC=C1)(C1=CCCC=C1)c1ccccc1"]
["200179222","COc1ccc(-c2n[nH]c(=N)n3cncc23)c(CC(F)(F)F)c1"]
["189031511","FC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1CO[C@@H]1CC[C@H]2CC[C@@H](CC2)C1"]
["55335351","COc1ccc(CCC(O)=NC2CCCC(C(F)(F)F)C2)c(OC)c1OC"]
["173523184","CC1C=C2C=C[CH-][CH-]C2=C1.[CH-]=CC(CC)Oc1ccccc1OC.[Na+]"]
["172865471","OC(=NC1CCN(CCCCc2ccc3c(c2)-c2ccccc2C3C(O)=NCC(F)(F)F)CC1)c1ccccc1OCF"]
["191374562","NOO.O=C(CCCCCCCCCCC(F)(F)F)COc1cccc2c1C(=O)N(C1CCC(O)=NC1=O)C2=O"]
["34079360","C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(O)=N[C@@H](C(C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)(C)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"]
["89539089","CC(O)CCN1C(=O)CN=C(O)CC1=O"]
["30322032","CCCN1C(=O)C(CC(C)C)N=C(O)C12CCN(C(=O)c1cccc(OC)c1)CC2"]
["194057832","C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1CC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N=C(O)[C@H](C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H]([C@@H](C)OC/C=C/COC(=O)OC(C)(C)C)N(C)C(=O)CCC(=O)[C@H](CC)N=C1O"]
["168796780","Cc1ccc(NC(O)=N[C@@H](Cc2cc(F)cc(F)c2)C(O)=N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(O)=N[C@@H](C)C(=O)N3C[C@@H](C)C[C@H]3C(=O)O[C@H]2C)cc1C"]
["94208177","CCC1N=C(O)C(CC)N(CC(C)S(C)=O)C1=O"]
["90485447","CC=CCC1N=C(O)C(CC(C)C)N=C(O)C(CC(C)C(O)=NCCCOCCCC)N(C)C(=O)C(C)N=C(O)C(Cc2ccc(O)c([N+](=O)[O-])c2)N=C(O)C(CC(C)C)N(C)C(=O)C(Cc2cn(C(C)(C)C3CO3)c3ccccc23)N=C1O"]
["151340879","CC[C@H](C)[C@@H]1N=C(O)[C@@H]2[C@H](C)CCN2C(=O)[C@H](C[C@H](O)CO)OC(=O)CCN=C(O)[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O"]
["135372623","CC(C)Cc1nc(C(O)=Nc2ccc3c(c2)N(C)C(=O)CO3)cs1"]
["179332492","CC(C)[C@H]1CCN2C(=O)[C@@H](N=C(O)OC(C)(C)C)CCCCCCCCC[C@@H](CO)N=C(O)[C@H]12"]
["110517936","COc1cc([C@H]2c3sc(O)nc3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@@H](CC(C)C)C(=O)O)C(=O)[C@@H]45)[C@@H]23)ccc1OCC(O)=Nc1ccc2ccccc2c1"]
["195726375","CO[C@@H]1CCC(C)Cc2cc(ccn2)COC(=O)[C@@H]2CCCN(N2)C(=O)C(Cc2cccc(O)c2)N=C(O)[C@H](C(C)C)N=C(O)[C@@H]1C"]
["172008748","[C-]#[N+]c1ccc(C2=CC3=C4C(=C5C=C([C-]6C=CC(=C=[N-])C=C6)[S+]=C5C(C5=CCC(=C=[N-])C=[C+]5)(c5ccc([N+]#[C-])cc5)C3=[S+]2)C(F)(F)C(F)(F)C4(F)F)cc1"]
["194657123","CN(C)c1ccc(-c2cc3c(s2)C(C2=CCC(N(C)C)C=C2)(c2ccc(N(C)C)cc2)c2sc(-c4ccc(N(C)C)cc4)cc2C2=C3C(F)(F)C(F)(F)C2(F)F)cc1"]
["55910015","[C-]#[N+]c1ccc(C(=O)Oc2cccc3c2[C@@]2(CCc4cccc(OC(=O)c5ccc(C#N)cc5)c42)CC3)cc1"]
["149640856","[C-]#[N+]c1ccc(-c2ccc(-c3c(F)cc(CCCCCCCCCc4cc(F)c(-c5ccc(-c6ccc(C#N)cc6)c(F)c5)c(F)c4)cc3F)cc2F)cc1"]
["171457099","[C-]#[N+]c1ccc(-c2cc3n(c2)Cc2cc(N4C[C@@H](CO)CC4=O)c(F)cc2-n2ccnc2-3)cc1"]
["172077618","[C-]#[N+]c1ccc(-c2cccc(N)c2N)cc1"]
["192983348","[C-]#[N+]c1ccc(-c2cc3n(c2)Cc2nc(Br)c(F)cc2CC3=O)cc1"]
["172040140","[C-]#[N+]c1ccc(-c2nc(OC[C@@H]3CCCN(C)C3)n3ccnc3c2-c2ccc3c(c2)ncn3C)cc1"]
["54959722","[C-]#[N+]c1ccc(-c2ccc(OCCCCC(=O)O)cc2)cc1"]
["155591129","[C-]#[N+]c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1"]
["172080990","[C-]#[N+]c1ccc(-c2c[nH]c(C(=O)OC)c2)cc1"]
["56137542","[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2CCC(COC)(Cc3cccc(C)c3)CC2)cc1"]
["186474902","C1=CC2CC3=CC=C4CC5=CC=C6Cc7ccc8cc9ccc%10cc%11ccc%12c%13c%11n%11c%14c%15c%16c%17c%18c%14n(c8c7B%18C6C5N%17C4C3N%16C2C(B%13%15)C1C%12)c9c%10%11"]
["43413343","CCC(=O)N1c2ccc(S(=O)(=O)NCC(=O)[O-])cc2CC1C"]
["174082137","CC(C)(c1ccccc1)c1cc2c3c(c1)N1C4CCCC=C4C4C=CCC(B3C3C=CC=C5C6C=CC=CC6N2C53)C41"]
["MCULE-6296813148","Cc1nc(Nc2cccc(C)c2C)cc(N2CC(C)N(c3ccccc3)C(C)C2)n1"]
["77550857","Cc1c(Cl)ccc2c1N1C(C)C[NH2+]CC1C2"]
["157072212","C[C@@H]1[C@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1"]
["151389748","O=C([C@@H]1CCCO1)N1N=C(c2ccco2)C[C@H]1c1ccccc1Br"]
["420460","CN1C(=S)CC[C@]2(C)c3ccc(Cl)cc3CC[C@@H]12"]
["178284084","BrC1=CC=C2Cc3ccc4c(c3C2C1)C=CCC4"]
["110565968","C[C@H]1[C@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1"]
["173890342","NC=C1CCCN=CC=C1Nc1ccc2c(c1)C1CC1C2"]
["18895942","OC(=NCCCn1cc[nH+]c1)NN=C(O)[C@H]1Cc2cc(Cl)ccc2O1"]
["171170229","CCCCNc1c(Cl)c2c(c(NCCCC)c1NCCCC)C1=Nc3[n-]c(c4c(NCCCC)c(NCCCC)c(NCCCC)c(NCCCC)c34)N=c3c4c(c(n3NCCCC)[N-]C3=NC(=NC2=N1)c1c(Cl)c(Cl)c(Cl)c(Cl)c13)C(Cl)=C(Cl)C(Cl)=C=4.[O].[V+2]"]
["173848812","CCCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)C(C)(C(O)=NC)[C@@H]1C"]
["119630671","CCCCNc1ccc(NS(=O)(=O)c2ccc(Cl)s2)nc1"]
["113231085","C#CCn1ncc(Cl)c(NCCS(=O)(=O)NC)c1=O"]
["45954668","CCCCNc1cnn(C)c(=O)c1Cl"]
["74231292","CCCCNc1c(CC)c(C(=O)O)cc(S(=O)(=O)CC)c1-c1cccnc1"]
["170272959","CCCCNc1c(C)ncc(C(C)C)c1C"]
["74183052","CCCCNc1nnnc(P(=O)(OCC)OCC)c1NCCCC"]
["18049561","CCCCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C"]
["116158603","CCCCNc1cnc(C(O)=Nc2cccc(Cl)c2Cl)cn1"]
["183261990","CCCCNc1c(O)nc2ccc(Cl)cc2c1-c1ccccc1"]
["91484519","CCCCNC1=C(Cl)C(=O)c2cccc(Br)c2C1=O"]
["99493154","C=CCC[Si](Oc1cccc2c1=CC(=[Si-](C)(C)c1cc3cccc(O[Si](CCC=C)(C(C)C)C(C)C)[c-]3c1)C=2)(C(C)C)C(C)C.[Zr+2]"]
["MCULE-9305584975","CCCCC(O)=Nc1ncccc1OC(C)C(O)=Nc1ccccc1OC"]
["17652520","C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)cccc3s2)cc1"]
["MCULE-4253902431","C=CCN=C(O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)C1c1ccc(OC(C)C)c(OC)c1"]
["8287492","C=CCCO[C@H](C)C(O)=N[C@@H](c1ccccc1)c1ccncc1"]
["MCULE-7720993348","Cc1cc(C(=O)OC(C)(C)C)n(C(C)c2c(F)cccc2F)n1"]
["181296786","COc1ccccc1C(CCCCC(C)P(c1ccccc1OC)c1ccccc1OC)C(C)(O)P"]
["101017342","C=CCCC(C)OC(=O)Cc1cc(OC)cc(OC)c1C(=O)/C=C/C"]
["195217071","[2H][13C]([2H])([2H])Oc1ccc(CC=C)cc1OC"]
["143798379","COc1ccc(OC)c(C(C)NCc2ccccc2OC(F)F)c1"]
["94033130","C=CCCCN(C)S(=O)(=O)c1n[nH]cc1CNC(C)C"]
["21341568","C=CCCOc1ccc(-c2nnc(CCC(O)=N[C@H](C)CC)c(O)n2)cc1OC"]
["175625949","CCCC(CN(CN)/C(=C\\O)NC(CC(=C/C(C)F)/C=C(/N)CF)N/C=C/C=C(\\C=C\\Cl)OC)C(=N)O"]
["MCULE-1167676919","CCCC(CCC)C(=O)N(C)c1nc(Cl)cc(Cl)n1"]
["90731655","C=C(CC=CC(O)c1ccccc1)C(=O)OC"]
["173116084","C=C/C=C\\C(=C/C)CC(CCC)C(C)=O.CC.Cc1ccccc1"]
["168463584","CCCC(C)Oc1cc(C(=N)NO)c2ccccc2n1"]
["194828077","CCCCCCCCCCCC(Nc1ccc[nH]1)C(=CC(=O)O)CNC(=N)N"]
["175649131","C/C=C\\C(=C/C=C/Nc1ccc2c(c1)C(C)(C)c1ccccc1-2)OC"]
["MCULE-3941622213","CCCN(CCC)C(=O)CN(C(CC(C)C)C(O)=Nc1ccc(F)c(Cl)c1)S(=O)(=O)CC"]
["173116154","C/C=C\\C(=C/C)CC(CC(C)CN(C=O)CCC(C)Nc1ccccc1P)C(=N)O"]
["78651088","CCCCc1ccc(-c2ccc(C(=O)N[C@@H](CCCCN)C(O)=N[C@H](C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](C)B(O)O)[C@@H](C)O)cc2)cc1"]
["56008533","CCC[C@H](N=C(O)[C@H](CC(C)C)N=C(O)c1c(F)c(F)c(O)c(F)c1F)C(O)=N[C@H](CN[C@@H](C)C(O)=NCC)CC(C)C"]
["32045772","CO[C@H](C/C=C\\C=C\\CC/C=C/C[C@H](C)/C=C/C(=C/C(=O)O)CC(=O)O)/C(C)=C\\C=C(/C)C(=O)O"]
["180789249","c1cnc2c(c1)CC([n+]1ccc3c(n1)NCC([n+]1ccc4c(c1)CCCN4)C3)N2"]
["121588100","CC(N=C(O)Nc1cccnc1Br)C1CCCC1"]
["57351370","N#Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3)c1"]
["106324809","C[C@@H](C(=O)c1ccc2c(c1)CCCN2)N(C)CCO"]
["57693446","OCc1ccc2c(c1)NCCC2"]
["103840036","CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCCN2"]
["114420172","Fc1ccc(Cl)c(NC2CCCc3cccnc32)c1"]
["180295608","CC(C)n1ccnc1CNCCCCNC1CCCc2cccnc21"]
["177901588","Cc1ccc(Cc2cccc3c2NC(C(O)=NC(C2CCNC2)C2NCCCC2C)C3)c2c1NC(C(O)=NCC1NC(C)OC1C)C2"]
["113674344","CCCn1nncc1-c1ccc2c(c1)NCCC2"]
["84984099","CCC(C)CN(CC)C(=O)c1ccc2c(c1)CCCN2"]
["94905773","COc1ccc(C(NN)C2CCCc3cccnc32)cc1"]
["178946751","BrC1C2=CC(C3CN=C([C@@]45CC4C46C[C@H]4CN6N5)N3)=IC21"]
["109252613","CN1[C@@H]2CC[C@@H]1CC(C#N)(Nc1ccc(F)cc1)C2"]
["29627451","COCCC(COC)n1nnc2c(C3Cc4cc(Br)cc(COC)c4N3)nc(C)cc21"]
["111045512","CC(C)n1ncc(N2C[C@@H]3CCCN[C@@H]3C2)c(Br)c1=O"]
["30910202","Cc1cccc2c1NC(c1nc(C3CCN(C(=O)O)CC3)n3[nH]cnc(=N)c13)C2"]
["196425646","O=C1CN=C(O)CN1C1CC(F)(F)C1"]
["172350729","COc1cn2nc(C)nc(N3CC4(CC(N(C)SN)C4)C3)c2c1C"]
["84610682","NCCc1ccc(C(=O)N2CCN3C(O)=NCC3C2)cc1"]
["163277391","Cc1ncsc1C1CN=C(O)C(C)(C)N1"]
["147915068","OC1=NCCN1C1CCN(Cc2ccc(Br)o2)CC1"]
["109119196","CC1=CC(=O)/C(=C2/C[C@@H](c3cnn(C(C)C)c3C)Nc3ccccc3N2)C(=O)O1"]
["170130934","NCC12CC(C1)N(C1=NCCC(=Nc3cc(C4CC4)[nH]n3)N1)C2"]
["170359063","CNOCC(ONC)C1CC2C3C4C5C6SC7CC8C9CC%10C%11CC%12C%11%13C9%10C78C6%13C5%12C45C4(ONC)C(ONC)C6CC7C12C35C674"]
["184318059","CC12C34C5CC3C3C6CCC7C8C9C%10OC5C%103C94C81C672"]
["179904154","CC1C2C3CC4C5C6C7CC8C9C%10C[C@@H](C)C1%11C34C61C23C%11(C)C2(C)[C@@]%10(C)C93C85[C@]712"]
["120048784","CCOC1CC(CN)(Nc2ccc(C)c(Cl)c2)C1"]
["184232728","CC1C2CC3CC4C5C6C7C8CC9C1C1(C)C%10(C)C%11(C)C%12(C)C3(C)C4(C)C%12(C)C6%11C5%10C71C298"]
["133974190","COCC(Cc1ccccc1)NC1CCN(Cc2ccccc2C)CC1"]
["174066549","[B]C1C2C3CC4C5C6C7C8C9C%10C%11C%12C%13C%14CC%15C%16CC%17C%18C1C1%19C%20(C)C%21(C)C2(C)C34C5%21C6%20C71C81C%19(C)C%182C3(C)C%174C5(C)C6(C)C%16(C)C%15%14C%136C%125C%114C%103C921"]
["178352083","CC12C3CC4C5CC6C7CC89C%10CC7%11C65C1(C)C1(C4%118)C24C2CC5CC6C3C3C2C42C53C6%10C921"]
["199173428","CC(C)NCCOC1CCC(N(C)CC2CCN(C(C)C)CC2)CC1"]
["184418350","CC(C)C12C3CC14C15C2CC2C6C7C8CC9C%10C%11(C)CC%12C%13C3C43C%13%11C84C%12%10C96C7(C21C)C543"]
["173937990","C=C(CC1CNC(CN)CO1)N1CC(Oc2ccc3c(c2C)O[B]C2CC32)C1"]
["178512911","C1C2C3CC4C5C6CC78C9CC%10C%11CC%12C%13C6C36C%137C%11%12C%109C63C8C1C53[C@H]42"]
["195380184","N=CN/C=C\\C/C=C/I1C2ON=CC[C@H]21"]
["104881471","C1=NO[C@H](c2ccccn2)C1"]
["97441967","C1=NO[C@H](C2CCCCC2)C1"]
["64907986","CC1CC=NN1C"]
["161860218","Fc1ccccc1C1CC=NO1"]
["182314135","O=C1OC(=O)C2(C=CCCS)C=CCCC12"]
["196580162","Cc1cc(C#CC2CC2)ccc1/C(N)=C/NCC1CC=NO1"]
["172213908","CC1=CN([Si](C)(C)C)C([Si](C)(C)C)CN1C"]
["47571983","CCCNC(CC1CCCO1)c1cnn(CC)c1"]
["113076427","CC(CCc1ccco1)NC1CN=C(O)C1"]
["175404296","CC1/C=C(/C=C/C=C/C=C\\NC=N)O/C=C/C=C(CNCC2=CCC(F)C=C2)\\C=C\\1"]
["176180520","NC1(CN=c2[nH]c(C3CC=CCC3)nc3[nH]ccc23)COC1"]
["50616872","[B][B-](=[B])C([B-](=[B+])[B+]C[Si](C)(C)O[Si](C)(C)C[B+][B-](=[B+])C([B-]([B+])=[B+])([B-](=[B+])[B-]#B)[Si](C)(C)O[Si](C)(C)C[B+][B-](=[B+])C([B-](=[B])[B+])[B-](=[B+])[B-]#B)[B-](=[B+])[B-]#B"]
["193624921","N[C@@]1(c2cc(Br)ccc2F)CO[C@@H](C2CC2)C[C@H]1CO.[B]=[B-]([B+])B([B-]([B+])=[B+])[B-](=[B+])[B-]#B"]
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["96859150","Cl[B-]1(Cl)N=c2c(c3[cH+][cH+]c4c5c([c+]6[cH+]cc2c3c46)=N[B-](Cl)(Cl)N=5)=N1"]
["115048724","Nc1cnc(Oc2ccc(Cl)cc2Cl)c(Cl)c1"]
["96897751","[N-][C@H](CCCCn1c(=O)c2ccc3c4[cH+][cH+]c5c(=O)n(CCCC[C@@H]([N-])C(O)=NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O)c(=O)c6c[cH+][c+](c7ccc(c1=O)c2c37)c4c65)C(O)=NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O"]
["175861261","Cc1ccn(-c2cc(-n3ccccc3=O)ccn2)c(=O)c1C"]
["173003232","Cc1c(Cl)nnc2sc3c(Cl)nccc3c12"]
["65736831","Cc1c(-c2ccccc2N)sc2c(=NN)[nH]cnc12"]
["115048883","COc1cc(Br)c(Oc2ncc(N)cc2Cl)cc1Br"]
["26646765","O=C1Nc2ccc3[nH]nc(Cl)c3c2C1=O"]
["96784220","CN(CCC[N-])CCCn1c(=O)c2[cH+][cH+]c3c(=O)n(CCCN(C)CCC[N-])c(=O)[c+]4[cH+][cH+][c+](c1=O)c2c34"]
["102964165","Nc1cccc2c([O])nnc([O-])c12"]
["188437022","CSc1ncc2c(n1)=C(Br)CCN=2"]
["172572465","Cc1ncc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)s1"]
["171423304","C(#Sc1ccccc1)/C(Sc1ccccc1)=C(/Sc1ccccc1)c1cc2[nH]c3nc(nc4nc(nc5nc(nc1[nH]2)-c1c(Sc2ccccc2)c(Sc2ccccc2)c(Sc2ccccc2)c(Sc2ccccc2)c1-5)-c1c(Sc2ccccc2)cccc1-4)-c1ccccc1-3.[Zn]"]
["171589858","O=C(O)c1cc(OCc2cc(COc3cc(C(=O)O)cc(C(=O)O)c3)cc(Oc3c(Cl)c(Cl)c4c(c3Cl)-c3nc-4nc4nc([nH+]c5[nH+]c(nc6[n-]n(n3)-c3ccccc3-6)-c3ccccc3-5)-c3ccccc3-4)c2)cc(C(=O)O)c1"]
["172960540","ClC(Cl)/C=C\\c1cc2nc3nc(nc4nc(nc5nc([nH]c1[nH]2)-c1ccccc1-5)-c1ccccc1-4)-c1ccccc1-3"]
["149363030","CCCCOC(=O)c1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(F)cc3)C2=O)c1"]
["88935633","CCOC(=O)c1cccc2nc(-c3ccccc3F)[nH]c12"]
["155251513","C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)c21"]
["MCULE-5015753057","CCCc1nc(Nc2ccccc2Sc2ccccc2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1"]
["123896759","N#CC(c1ccccc1)c1ccc(N=C(O)CCc2cscn2)cc1Cl"]
["159866312","CCN(C(O)=Nc1ccccc1Sc1ccccc1)C1CCS(=O)(=O)C1"]
["103625785","C[C@H](N=C(O)c1ccccc1SCc1cscn1)c1ccc(F)cc1F"]
["184525249","c1ccc(SC(=C(c2ccco2)c2ccco2)c2ccc(C(Sc3ccccc3)=C(c3ccco3)c3ccco3)cc2)cc1"]
["MCULE-6979378558","Cn1ncc2cc(-c3cccc(CC(O)=Nc4ncncc4C#N)c3F)ccc21"]
["161850585","C[Si](C)(C)O[Si]1N[Si](=[O+][Si](C)(C)C)N[Si](=[O+][Si](C)(C)C)N[Si-](O[Si](C)(C)C)N[Si-](O[Si](C)(C)C)N1"]
["48010638","C[Si](C)(C)O[Si]1=[Si][Si](C)(C)OCC1"]
["66519393","Cc1noc(C2CC3CC(=O)/C(=C/O)C(C2)N3)n1"]
["106300483","CC(C)c1nc([C@H]2CCC[C@@H](N)C2)n[nH]1"]
["45508225","CCC1CCCC(c2noc(C(N)Cc3cnc[nH]3)n2)C1"]
["113594232","CC1(C)Oc2ccccc2C1NCc1cc[nH]n1"]
["108174656","CCOC(=O)C1=NC(c2ccco2)=C[C@@H]1N"]
["186084146","CC1=C(C)C(c2cccc3nonc23)C(C(C)C)=C(C)N1"]
["49463997","CCC1CCCC(c2noc(CC(=O)COC)n2)C1"]
["109521676","CC(C)c1noc(COC(=O)c2ccccc2SC[C@H]2CCCO2)n1"]
["65310423","CCOc1cc(=O)onc1-c1ccccc1"]
["170605406","CC(C)c1cccc(C(C)C)c1N1C(=O)O[Si](O[Si](C)(C)C)=[O+]C1[O-]"]
["56889146","O=P(O)(O)CC[N+]1(P(=O)(O)O)CC12NC2(CP(=O)(O)O)P(=O)(O)O"]
["79486684","CC(CN)C(CCCP(=O)(O)O)P(=O)(O)O"]
["27178571","CNC(C)C(=N)CC(O)(P(=O)(O)O)P(=O)(O)O"]
["54829725","O=P(O)(O)CNCP1(=O)OCCCCCCO1"]
["91212061","O=P(O)(O)CCN1CCN=C1O"]
["174076746","O=c1nc(O)ccn1[C@@]1(O)COC[C@@H]1OCCP(=O)(O)O"]
["75697023","O=P(O)(O)C1(P(=O)(O)O)CCC2CNCCC21"]
["79556476","CCCOP(=O)(O)C(C)(CCCP(=O)(O)O)P(=O)(O)O"]
["100959496","O=P(O)(O)CN[C@@H]1CCCC[C@H]1NCP(=O)(O)O"]
["78328630","O=P(O)(O)CCC(N(Cl)Cl)P(=O)(O)O"]
["79046032","O=P(O)(O)CC[C](CCP(=O)(O)O)CCP(=O)(O)O"]
["76145039","C.O=P(O)(O)C1(P(=O)(O)O)CCCCC1"]
["96933590","[C-]1=CC=C2C(=[Si-]3(CC[Si]4(CC3)c3ccccc3-c3ccccc34)c3ccccc32)C1"]
["52747685","OC1=NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc21"]
["185215432","N=C(O)c1ccccc1-c1ccc2c(c1)CNCC2c1ccc(Cl)c(Cl)c1"]
["175233635","C[Si]1(C)c2ccccc2-c2c1ccc1c2C(=O)c2ccccc2C1=O"]
["101105053","C[Si]1(C)c2ccccc2-c2cc(C(F)(F)F)ccc21"]
["176133482","BrC1=CCC=C2C1=Cc1ccccc12"]
["176246749","C.Cn1c2nc3nc(nc4c5ccccc5c(nc5nc(nc1c1ccccc12)-c1ccccc1-5)n4C)C(C)(C)/C=C\\C=[C-]C3.[Cu]"]
["21013574","Fc1cc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc[nH+]c2)N2NC=NC2=N3)ccc1Cl"]
["43672199","N#Cc1ccccc1-c1cc2ccccc2[nH]1"]
["171082515","C1=C[As](c2ccc[c-]2[As]2C=CC=C3C2=Cc2ccccc23)C2=Cc3ccccc3C2=C1.[Fe+2].c1cc[cH-]c1"]
["99730859","[B+]=c1cnn2c1=NC(c1ccccc1Cl)=CC2NCc1cccc([CH+]NS([O-])([O-])C2CC=C(Cl)S2)c1"]
["170945012","C1=CC2(CCCC2)C2=Cc3ccccc3C2=C1"]
["195398716","C=N/N=N/N([O-])OCC(CO)(CON([O-])[N+](=C)[NH-])CON([O-])[N+]1([N-]N)CC1"]
["184756709","CC[Si](C)(CC)CCCOCC(CO)(CO)COCCC[Si](CC)(CC)CC"]
["195468750","CCON([O-])N=NO"]
["145180775","C(OCC1CO1)C1CO1.OCC(CO)(CO)COCC(CO)(CO)CO"]
["195106761","CC(C(=O)OCC(CO)(CON([O-])O)CON([O-])O)c1ccc(-c2ccccc2)c(F)c1"]
["177851288","C=N/N=N\\N(C)N"]
["79791391","CCC(CO)(COC(=O)CC(C)S)COC(=O)CC(C)S"]
["77350808","CC(C)(C)N=C(O)C1CCC[N+]1([O-])CC[N+]1([O-])CCCC1C(O)=NC(C)(C)C"]
["81483778","C.C=C([O-])N1CCC([NH-])C1.[Y]"]
["195736020","[O-][I]N(O)OCC(CO[I]N([O-])O)(CON([O-])O)CON([O-])O"]
["150056161","C=C1CN(C(=O)C(C)(C)N)CCN1C(=Nc1ccc(C)c(F)c1)C(c1ccc(F)cc1)C(C)CC"]
["163630178","[N-]=[N+]=Nc1ccc([N+](=O)[O-])c(NCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)c1"]
["79549371","FC(F)(F)C(F)(F)C(F)(F)ON1P(OC(F)(F)C(F)(F)C(F)(F)F)N=P(OC(F)(F)C(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)C(F)(F)F)N(OC(F)(F)C(F)(F)C(F)(F)F)P1OC(F)(F)C(F)(F)C(F)(F)F"]
["97775961","Cn1nc(C(F)(F)C(F)(F)C(F)(F)F)c2c1CCCC2"]
["54501245","[O-][Cl+3]([O-])([O-])OC(F)(F)C(F)(F)C(F)(F)F"]
["62607259","CCCCCON1P(OCCCCC)N=P(Cl)(OCCCCC)N(OCCCCC)P1OCCCCC"]
["46827388","CON1P(OC)N=P(F)(F)N(OC)P1OC"]
["84064877","FC(F)(F)C(F)(C#Cc1ccccc1)OC(F)(F)C(F)(F)C(F)(F)F"]
["99801412","CC=CC.COC(F)(F)C(F)(F)C(F)(F)F"]
["170160881","FN1P(F)N=P(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N(F)P1F"]
["161478984","[CH2-]CC1C[CH+]C(F)(C(F)(F)C(F)(F)F)C1(F)C(F)(F)F"]
["24959830","OCC(O)C(O)C(O)(C(F)(F)C(F)(F)C(F)(F)F)C(OC(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)C(OC(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F"]
["171185967","FC(F)(F)C(F)(F)C(F)(F)O[Si](OC(F)(F)C(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F"]
["171233628","FC(F)(F)C(F)(F)C(F)(F)OP1(OC(F)(F)C(F)(F)C(F)(F)F)=NP(OC(F)(F)C(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)C(F)(F)F)=NP(OC(F)(F)C(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)C(F)(F)F)=N1"]
["173675024","[B]=C1C(=[B+])[C-](F)C(=[B+])C(=[B])[C-]1CS[C-]1[N-][C-]([O-])[C-]2CCC[C-]2N1C([B+])([B+])[C-]([O-])N(CCN(CC)CC)C([B+])([B+])[C-]1C(=[B+])C(=[B+])[C-]([C-]2C(=[B+])C(=[B+])[C-](C(F)(F)F)C(=[B+])C2=[B+])C(=[B+])C1=[B+]"]
["174481610","CCN(CC)CC[S+]=c1cc2n3c(c1)C[NH2+][C@@H]1CCCC[C@H]1N1CCN([C@@H]4CCCC[C@H]4NC2)C13Cl.Cl.[Mn+2]"]
["173675008","[B+]C([B+])(S[c-]1[n-]c(=O)[c-]2[c-](n1C[C-]([O-])N(C[C-]1C(=[B+])C(=[B+])C(=C3[CH-][CH-]C(C(F)(F)F)=CC3)C(=[B+])C1=[B+])C([B+])([B+])C([B+])([B+])N(CC)CC)[CH-]CC2)c1ccc(F)cc1"]
["2257956","CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CC2)cc1)c1[nH+]c2c(F)cc(F)cc2s1"]
["67311725","CCS[C@@H]1[C@H](C(=O)C2[C@H]3CCCC[C@@H]3C=C[C@@H]2C)C(=O)N2CC[C@@H](C(=O)N(CC)CC)[C@@]12O"]
["82151687","CCOC(=O)C1(Sc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCN(C(=O)O)C3)cc2[N+](=O)[O-])CCC1"]
["123333786","CCN(CC1CCN(C(O)=NC[C@H]2CCCN2CC(C)C)C1)CC(F)(F)F"]
["47987310","[2H]c1c([2H])c(C([2H])([2H])N(CCN(CC)CC)C(=O)Cn2c(SC([2H])([2H])c3ccc(F)cc3)nc(=O)c3c2CCC3)c([2H])c(C)c1-c1ccc(C(F)(F)F)cc1"]
["180434279","CCN(CC)CCCC(C)Oc1ccc2ncc(C3C=CC=CC3C(F)(F)I)n2n1"]
["77186546","CCN(CC)CCN(CC)C(=O)Nc1ccc(SC(F)(F)F)cc1"]
["55224410","CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)C(C)C"]
["14739048","CCN(CC)CC[NH+]=C(O)c1cc(N=C(O)C[C@H](C)CC(C)(C)C)ccc1N1CCCCC1"]
["179319196","CN(C)C1=CC(C2=CN=C3NN=C(c4nc5c([nH]4)C=NCC5C4=CN=CCC4)C3C2)=CNC1"]
["184588750","CCn1cc(C2=CN=c3nnn(Cc4csc5c4CCC=N5)c3=C=C2)cn1"]
["165468516","CN(C)c1cc(C(F)(F)F)[nH]c(=NC2CCC(O)=NC2)n1"]
["161229246","Cc1nc2c(n1C(C)C)CC(N=c1ccnc(C3=CCCCC3)[nH]1)N=C2"]
["177208336","C=C/N=C\\C=C1\\C=C(C2=C(C)/C(=C/C)NC(C)C/N=C\\2)C(F)=CC1"]
["173673135","[B+]=c1c(Cl)c2c(c(=[B+])c1=[B+])=[B-](O)C21[C-]=C(C2=[C-]CCC=C2Br)CC(c2c(C)c(C)c(C)c(C)c2Br)C1"]
["109387499","CN(C)c1nc(Cl)nc(=N[C@H]2CCC(O)=NC2)[nH]1"]
["99819177","CN(C1=NN/C(=C2\\C=CC(c3ncc([N+](=O)[O-])[nH]3)=CC2=O)C=C1)C1CC(C)(C)NC(C)(C)C1"]
["75604067","CSCC(C)C(S)=Nc1sc(C2=CN=CCC2)nc1C"]
["149760916","CCOC(=O)C1=CN=CCCC1=O"]
["86356119","CN=c1nc(N(C)C)[nH]c(=NC2CCC(=O)N(C)C2)[nH]1"]
["186552566","C1=NC=C(C2CCON2)CC1"]
["75082235","OC1=C2NC3C(=CC(Cl)=C(Cl)C3Cl)NC2C(O)N=N1"]
["179820436","C=C/C(=C\\N=CN=C1C=CC2C=CC=C(Cl)C2N1)C(F)(F)F"]
["111972970","Cc1n[nH]cc1CNCC1CCCC(O)C1"]
["171112064","O=C(Cl)C1C(Cl)=C(Cl)C=C(Cl)C1(Cl)C(=O)Cl"]
["69787651","OC1=NC(O)C(F)C(O)N1"]
["26499827","OC1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1F"]
["83933917","Cc1[nH]nc(C2NC(CO)=CO2)c1Cl"]
["74699110","O=C(NC1=CC(=O)C2OC2C1O)c1n[nH]cc1O"]
["178391255","COC1C=CC2C(O)=NNC(O)C2C1"]
["96797766","OC1=N[C@@H](O)Nc2[nH]cnc21"]
["164609771","CN(C)c1ccc(C#CC2=CC3=CCC(Cl)NC3=N2)cc1"]
["47579922","OC1=NN=C(O)C2NC3C(Cl)=C(Cl)C(Cl)=CC3NC12"]
["44119120","CCCOC1=CC2=CC3=C=C(C=C(OCCC)C3)Cc3cc(OCCC)cc(c3Br)CC3=C=C(C=C(OCCC)[CH-]3)CC(=C1)[C-]2Br.[Li+].[Li+]"]
["MCULE-2765660538","CCOc1ccc(N(Cc2ccc(Cl)cc2F)S(=O)(=O)c2ccc(OCC)cc2)cc1"]
["65969035","CCCOc1ccc(C(O)=NN=C(O)Cn2c(C)cc3ccccc32)cc1OC"]
["135994396","CCCOc1ccc2c(c1)CCN(C(=O)CN1C(=O)C3CCCCC3C1=O)C2"]
["MCULE-1445848122","CCCOc1ccc(C(=O)N2CCC(C(O)=NCCc3ccc(OC)cc3)CC2)cc1"]
["171677566","CCCN(CC(C)C)C(=O)CN1Cc2ccc(OCCC(C(=N)O)C3CCc4ccccc4N3)cc2N=C1N=C(O)OCC"]
["599912","CCCN(CCC)C1CCc2cc(CN(C(C)=O)c3ccc(OC)cc3)ccc2C1"]
["MCULE-9219444682","CCCOC(=O)COc1c(Br)cc(C=CC(=O)c2ccccc2)cc1OC"]
["113745054","CCCOc1ccc(C(NC)c2ccoc2Br)cc1Br"]
["MCULE-5487255794","CCCOc1cccc(N2C(=O)C(Nc3ccc(OC)c(Cl)c3)=C(c3cc(Cl)ccc3Cl)C2=O)c1"]
["9867530","CCOc1ccc2c(c1)CN(C(=O)C(=O)Nc1cccc3c1OCCO3)CC2"]
["94810473","CCCOc1cncc(C(Cc2ccccc2Br)NN)c1"]
["78551960","O=S(C#CC#CC#CB=BB=BC1=BP2BB12)N1CC1"]
["100199422","[O]S(=O)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1"]
["176101161","C#Cc1cc(F)c2c(c1)CN(C(CC#CC#Cc1cc[nH]c1)c1cc(F)ccc1F)C2=O"]
["26897166","CC(C)OC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21"]
["150921011","O=[S@](c1ccccc1)N1CCN(c2ccccc2)CC1"]
["22042755","N#C[C@H](c1ccc(Cl)c(Cl)c1)N1CCCCC1"]
["24811994","N#CC(c1ccc(Cl)c(Cl)c1)N1CCCCC1"]
["54841826","Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCSCC1"]
["CSSS20572376159","CCOC(=O)[C@@H]1[C@H](O)CCN1Cc1ccc(C(F)(F)F)s1.O=C(O)C(F)(F)F"]
["108377945","CS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncc(F)cn3)C2)C1"]
["175809249","CC#CC1CN(S(=O)c2ccc(=N)[nH]c2)CCN1c1ccc(SN(C)C)cc1"]
["175303453","CCC(C)CCc1cc(S(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1C"]
["79852178","CC(=O)C1=C=C(C(C)=O)C(C(C)=O)=C(C(C(C)=O)(C(C)=O)C(C(C)=O)(C(C)=O)C(C(C)=O)(C(C)=O)C(C(C)=O)(C(C)=O)C(C(C)=O)(C(C)=O)C(C(C)=O)(C(C)=O)C(C(C)=O)(C(C)=O)C(C(C)=O)(C(C)=O)C(C)=O)C1=C(C)[O]"]
["157950585","CC(=O)[C@](C)(C#N)c1nnc(C)s1"]
["87937182","CCc1nc(C(C)(C)C)sc1C(C)=O"]
["57476233","COc1c(O)cc(C(C)=O)c(O)c1OC"]
["147660884","CC(=O)c1cn2cc(C(C)(C)C)sc2n1"]
["162167388","CC(=O)C1=C(O)CCCCC1=O"]
["92050926","CCC(C)(OC)c1ncc(C(C)=O)s1"]
["53540976","CCC(C)(CC(C)(CC(C)c1ccc(C(C)CC(C)(CC(C)(CC(C)(C)C(C)=O)C(C)=O)C(C)=O)cc1)C(C)=O)C(C)=O"]
["194309227","CC(=O)C(C)(C(C)=O)C(=O)C(=O)C(C)(C(C)=O)C(=O)CO"]
["120033797","COC(=O)c1nc(N(C)CC(F)(F)F)sc1C(C)=O"]
["25339297","COc1[c]scc1OC(C)=O"]
["18812074","CC(=O)C1=C(C)[NH2+]C(C(=O)[C@H](C)N(C)CC2CCCC2)=C1C"]
["150607546","CC1(C)c2ccc(cn2)C(C)(C)C2(C)c3ccc(cn3)C1(C)CC1(C)c3ncc(cn3)C2(C)C(C)(C)c2cnc(cn2)C1(C)C"]
["114767111","CC(C)(C)c1ccc(NC2CCCCCC2)nc1"]
["144927324","Cc1cnc(O)n1-c1ccccc1CC1(O)CC1"]
["30228955","COc1ccc(COC2(c3ccccc3)CCOCC2)cc1-n1ccnc1C"]
["91755658","CC(N)c1ccnc(N2CCSC(C)(C)C2)c1"]
["27826801","CCOC(=O)C1(c2ccc(-c3ccc(-n4nncc4Br)cc3)cc2)CC1"]
["92463831","COC1(c2ncc(N)cn2)CCC1"]
["46118837","C=C(O)C1(c2ccc(OC)nc2)CC1"]
["155445758","Cc1ccc(NC2(c3nc4c5ccccc5c5ccccc5c4[nH]3)CCCC2)cc1"]
["30727841","CN(C(=O)O)C1(c2ccc(Cl)c(Cl)c2)CCCC(C)(O)C1"]
["155966990","CCOc1cccc(OCC)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21"]
["155692356","C[C@@]1(c2ccc(Cl)nc2)CC(=O)c2ccc3c(c2O1)CCCC3"]
["98926585","CN[SiH2]N1[SiH2]CCNSN([SiH2]NC)[SiH2]NCN[SiH2]1"]
["180547380","CNC1(I)CCC[C@@H]1NC1NCCS1"]
["107767415","c1c([C@H]2CCNCCO2)cn2c1SCC2"]
["31091714","Cc1nn(-c2ccccc2)c2sc(C(O)=Nc3ccc(C4CCNCC4)cc3)cc12"]
["174234562","CC.CN(C)C1CCNC1.CNC"]
["44903482","Cc1ccc(Oc2ccccc2C2CCNCC2)c(C)c1"]
["160944761","COc1cc(C)c(NC(=O)N2CC3CCNCC3C2)cc1C"]
["179592347","CCCCCN1CCNSCC1"]
["168757973","CN=C(O)c1cccc(-c2cc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)cn(C)c2=O)c1"]
["150123111","CC(C)N1CCNS1"]
["186031628","CNN1CCN2CCNCC2C1"]
["173472640","CNSc1cc2c(cc1C)CC(C1CCCC1)NS2"]
["84018373","[Si+]C[Si+]C[Si+]C[Si+]C[Si+]C[Si]C[Si-]C[Si-]C[Si-]C[Si-]C[Si-]"]
["84018378","C[Si+]C[Si+]C[Si+]C[Si+]C[Si]C[Si-]C[Si-]C[Si-]C[Si-]"]
["84018377","C[Si+]C[Si+]C[Si+]C[Si+]C[Si-]C[Si-]C[Si-]C[Si-]"]
["84018376","C[Si+]C[Si+]C[Si+]C[Si]C[Si-]C[Si-]C[Si-]"]
["91502291","C[Si+]C[Si+]C[Si+]C[Si+]C[Si+]C[Si-]C[Si-]C[Si-]C[Si-]C[Si-]"]
["91502294","C[Si+]C[Si+]C[Si+]C[Si+]C[Si+]C[Si]C[Si-]C[Si-]C[Si-]C[Si-]C[Si-]"]
["84018369","[Si+]C[Si+]C[Si+]C[Si]C[Si-]C[Si-]C[Si-]"]
["99621293","C[Si-]C[Si]C[Si+]CCl"]
["54805289","C[Si+]C[Si]C[Si-]C"]
["171928196","[Si+]C[Si+]C[Si](C[Si+])(C[Si-])C[Si-]C[Si-]"]
["84018392","[Si+]C[Si+]C([Si+])[Si]C([Si-])[Si-]C[Si-]"]
["84018368","[Si+]C[Si+]C[Si+]C[Si-]C[Si-]C[Si-]"]
["173213035","[B+]=NC(O)=[Si-](C)(C)N=C(O)[SiH](C)C"]
["85326021","CCCCC(C)N=C(O)C(N)(CC)CC"]
["74379124","CC(O)=NC1C2CN(C(C)(C)C)CC21"]
["184038848","CC(O)=C(N=O)C(O)=NN=[N+]=[N-]"]
["181203018","COCCOON=C(C)O"]
["123679957","CCCCC(N=C(O)C1C2CCCC21)C1CCC1"]
["24973702","CCN=C(O)CCn1[c]nc(C)c1C"]
["141366124","CC1(C)CC(N=C(O)CN2CCCS2(=O)=O)C(C)(C)O1"]
["25102872","C[SiH](CCCC(=O)O)O[Si](C)(C)C"]
["183881896","CCO[SiH](C)CCNC(=N)O"]
["148660503","CC(C)=C(C)[SiH](C)C"]
["156585638","CN=C(O)CN1CCS(=O)(=O)[C@H](C)[C@@H]1C"]
["168465346","CC(C)[Si](C([Si](C)(C)C)[Si](C)(C)C)[Si](C(C)C)([Si](=[Si+][Si-](C(C)C)(=[Si](C(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Si-](C(C)C)C([Si](C)(C)C)[Si](C)(C)C)B1C2CCCC1CCC2)[Si+](C(C)C)C([Si](C)(C)C)[Si](C)(C)C"]
["114322069","CC(=O)N(C1CC1)C1(C(=O)O)CCCC(CC(C)C)C1"]
["186266548","Brc1ccccc1/C(=C/c1ccccn1)B1C2CCCC1CCC2"]
["135002047","CCN(CCN=C(O)CC(C)N=C(O)C1CCCC1)C1CC1"]
["MCULE-5215375073","CC(C)COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)nc2)cc1"]
["34227591","CC(C)C[Te]1(CC(C)C)O[C@@H](C2CCCCC2)[C@@H]1C#C[Si](C)(C)C"]
["162871240","CC(SC1CCC1)c1cccs1"]
["58526321","C=C(C)CB1C2CCCC(CCC2)[C@H]1[Si](C)(C)C"]
["MCULE-6229057874","CC(C)c1nn(C2CCCC2)c(N)c1N"]
["140076690","CC(CN=C(O)CC(C)N=C(O)C1CCCC1)CC1(C)OCCO1"]
["97119505","C[Si](C)(C)C1B(/C=C/CB2C3CCCC(CCC3)C2[Si](C)(C)C)C2CCCC1CCC2"]
["195215974","CC12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2C1CC1"]
["174896887","C=C(O)CC(C)(C)CC(=C)OC1CC[C@]2(C)[C@H]3CCC4(N)[C@H]5[C@H](C(=C)C)CC[C@]5(CC(=C)N5CC[C@H](CCCCCN)C5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C.CC"]
["126417860","CCN=C(O)N1CCC(N=C(O)N2CCC(C)(C(C)C)CC2)C1"]
["192976515","C=C(CCC)OO[C@@H]1CC2=C[C@H](O)C3C4CCC(OC(=O)CC)[C@@]4(C)CCC3[C@@]2(C)CO1.C=C(CCC)OO[C@@H]1CC2C[C@H](O)C3C(CC[C@@]4(C)C3CC[C@@H]4OC(=O)CC)[C@@]2(C)CO1"]
["141967581","CC(=O)N1CCC(CN(C)C(=O)C2CC(C)CC(C)(C)C2)C1"]
["75568481","C=C(C)C1CCC2(C(O)=NCc3cccc(C(O)=NCCCCCCC(=O)O)c3)CC[C@]3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12"]
["CSSS05627990033","CN(CC1CCN(C(=O)c2cncc(C(=N)O)c2)C1)C(=O)C1(C)CCCOC1"]
["94328308","COc1cc(C(=O)N2CCC(CCO)C2)cc(OC)c1Br"]
["171111419","CC(C)(C)OC(=O)N1CCC(Cn2cccc(C=C(F)B3OC(C)(C)C(C)(C)O3)c2=O)C1"]
["70260713","C=CCON=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OP)C(C)(C)C5CCC43C)C12"]
["76795683","COC(=O)C12CCC(C)(C)C(O)C1C1=CCC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2"]
["175459600","CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C5=C(C(C)C)CC[C@]5(C(=O)C(=O)Cl)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]
["78401718","C=C(C)C(=O)OCC1CC2CC1C1CC(COC(=O)CCCCCCCCC3C(CCCCCC)CCC(CCCCCCCC)C3CCCCCCCCC(=O)OCC3CC4CC3C3CC(COC(=O)C5CCC6OC6C5)CC43)CC21"]
["174420915","[Al].[CH2][C@H](C[C-]1[N-]NC2=[N+]1CCI=N2)NP"]
["82705125","CCC1COP(=O)(C(CN=c2nc(C)cc(C)[nH]2)c2cc(C)c(O)c(OC)c2)N1"]
["174877732","CCC1CCc2cc([N-]N=C3N=ICC(C(=O)OC(C)(C)C)S3)c(NS(=O)(=O)C(F)(F)F)cc2N1C"]
["63837016","CCCNC(C#N)c1cnn(C)c1"]
["120465536","CCNC(c1cn[nH]c1)c1ccc2c(c1)CCC2"]
["52033113","[CH2]C(CCCNC1CCCC1)NC1CCCCC1"]
["183125726","C=CC=CCCC(OCCOC)C(C)(C(=O)[O-])c1nn[nH]n1"]
["120336460","CCC(CC)C(O)CNS(=O)(=O)c1cc[nH]n1"]
["180006431","C1=N[N-]CCI=N1"]
["180626727","C[I+]NCC1=N[N-][C-](C)O1"]
["62679534","COC(CNCc1c(C)nc2sc(C)cn12)OC"]
["179640013","[B]CCOC1=c2c(C(I)[Br+]C)nsc2=N[C-](OC)[N-]1"]
["26281368","O=C(O)c1cc(C(=O)O)c(C(=O)O)c(-c2c(C(=O)O)cc(C(=O)O)c(C(=O)O)c2-c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)c1"]
["25120897","Cc1cc2oc(C(=O)O)c(-c3ccccc3Cl)c2cc1C"]
["32457890","O=C(O)c1cccc(-c2noc(-c3ccccc3)n2)c1"]
["101484709","COC(=O)c1c(C#N)cccc1C(=O)O"]
["155919488","C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2N)(c2ccccc2C(=O)O)N1"]
["25985880","CC1NCc2cc(-c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21"]
["48534368","NS(=O)(=O)c1cc(C(=O)O)ccc1OCC1CCCO1"]
["91247801","O=C(O)c1cccc2c(I)ccc(C(=O)O)c12"]
["182904677","COC1COC[C@H]1Oc1cc(C(=O)O)ccc1N=[N+]=[N-]"]
["68265299","CC(C)Oc1cc(F)c(N)c(C(=O)O)c1"]
["62971512","O=C(O)c1cc(SO)cc(C(=O)O)c1"]
["88048423","CC(=O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1"]
["83280610","Sc1nnc2c(n1)N=C1C=C(Cl)C=CC12"]
["81737645","O=C1C2=C(CCC2)N=C2C=C(Cl)C=C(Cl)C12"]
["181438617","COC1(F)C=C(Cl)C=CC1c1nc(C(=O)[O-])c(Cl)c(N)c1F"]
["172610180","CC1CC(c2cc(Cl)cc(Br)c2)(c2nnc(S)n2C)C1"]
["81724974","N#CC(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1=NC(=O)C2C=CC(Cl)=CC2=N1"]
["69762090","O=C1C=C(CO)C2C=CC=CC2=N1"]
["147760871","Sc1nc2cc(Cl)nc(Cl)c2[nH]1"]
["81701291","CN1C(=O)C2C=CC(C(=O)OCc3ccc(Cl)cc3)=NC2=[N+](C)C1=O"]
["81705449","Nc1ccc(Cl)c(NC2=NC(=O)C3C=CC=CC3=C2)c1"]
["77805147","CC(C)NCC1=NC(=O)C2C=CC(Cl)=CC2=N1"]
["5404766","Cn1c(S)nnc1Cc1csc(N=C(O)c2cc(Cl)ccc2F)n1"]
["81720098","O=C1C=CC(Cl)=CC1=C1Nc2cccc(Cl)c2N1C1CC1"]
["171664283","CC/C(OC(=O)CP1CC=CCC1)=C(/OC(=O)CP1CC=CCC1)P1CC=CCC1"]
["63690452","CCc1nn2c(=O)cc(COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nc2s1"]
["79923813","CCC(=O)O[CH]C(O)C[O-].[Li+]"]
["100298376","CCC(=O)OC(=O)C(Cl)Cl"]
["99564675","CC(C)(C)OC(=O)CC(N=C(O)OC(C)(C)C)c1c(O)c[n+](CCCCC(N=C(O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1CCC(N=C(O)OC(C)(C)C)C(=O)OC(C)(C)C"]
["13200479","COc1c(F)cc2c(=O)c(C(=O)N3CCOCC3)cn(CCF)c2c1F"]
["79406704","CCC(=O)O[SiH](CN(C)C)OC(=O)CC"]
["150608955","CC/C(=C/C(=O)O)CNC"]
["175039148","CCOC(=O)C1C=CC=C(C)C1=N.Cl"]
["191485840","O=C(CCCO)[C@H]1C=CCC1"]
["52164614","CCNC(CC(=O)OC)c1cnn(C)c1"]
["22136407","CC[NH+]1CCN(C(=O)[C@H]2CS[C@@H](C(C)(C)C)N2C(=O)c2ccc(C(C)(C)C)cc2)CC1"]
["171811407","Brc1c(Br)c2ooc3nc4nc(n3)oc(c1Br)c2-o-4"]
["115261224","CNc1ncnc(OC2CC(C)OC(C)C2)c1Br"]
["4121222","CC1=C2[C@H](c3ccc(COc4ccc(Br)cc4)o3)C(C#N)=C(N)O[C@@H]2N=N1"]
["163101901","Cc1ncc(-c2[nH]c(C#N)nc2Br)o1"]
["171040633","Br.Cc1nc(C)c(Br)c(C)c1Br"]
["136657453","CCc1nc(CC(O)=Nc2cc(Br)cc3nc(C)oc23)cs1"]
["48730040","Cc1c(O)c(O)c(C)c2c1Oc1c(Br)c(Br)c(Br)c(Br)c1O2"]
["113374073","Sc1nc(CC2CCCO2)ncc1Br"]
["113292396","CC1(C)CCC(CNCc2ncon2)O1"]
["179469577","COc1ccc2oc(C)nc2c1Br"]
["178659137","Cc1nc2ncnc(C)c2o1"]
["163377670","N#CCCc1noc(-c2ccc(Br)o2)n1"]
["198584370","[B+]=c1cc2c(cc1F)=[N+]([CH-][O-])CC21CCC2(CC2)CC1"]
["66846765","O=C(O)c1ccc(F)c(CN2CCC3(CCCC3)CC2)c1"]
["MCULE-6498111942","COCc1ccc(C(=O)NCCC2CCN(C(=O)C3(c4ccccc4F)CC3)C2)cc1"]
["MCULE-8158259275","CCc1ccc(-c2cc(CC(=O)N3CCC(C)(C)CC3)ccc2F)cc1"]
["136754329","Cc1cc(F)c(C(=O)N2CCC3(CC2)N=C(O)N(C)C3=O)cc1F"]
["162092574","N#Cc1cc(F)c(O)c(C2(C#N)CC2)c1"]
["85158584","CCCNC1(C(=O)O)CCC(Sc2ccc(F)c(F)c2)C1"]
["144919264","NCC1(c2cc(F)c(F)c(C(=O)O)c2)CCC1"]
["96278103","NCC1(CC(=O)c2ccccc2F)CCCCC1"]
["130384970","O=C(NC1(c2ccccc2F)CC1)C(O)=Nc1ccc(C(=O)NC2CC2)cc1"]
["120056282","Cc1cc(C)c(C2(N)CCCC(C)(C)C2)c(F)c1"]
["139100978","O=C1CCc2cc(N=C(O)C(=O)N3CCC4(CCC4)C3)c(F)cc2N1"]
["192153319","Cc1cc2c(cc1C)/C(=N\\OCc1ccc3nonc3c1)CC2.Cc1cc2c(cc1C)C(=O)CC2.N[Cl+]OCc1ccc2c(c1)[N-]O[N-]2"]
["161623144","CN=c1[nH]ccc2c1CN(Cc1ccc(OCCF)c(Cl)c1)C2=O"]
["195739135","CCCON=C1CN(C(=O)C(SCC)c2ccc(-c3noc(C)n3)cc2)C1"]
["198069926","CC(O)=NCc1ccc(-c2cc(C(O)=Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c(O)c1.Cl"]
["10182194","COc1ccc(COC(=O)[C@@H]2CCCN(C(=N)O)C2)cc1OC"]
["110209126","COc1cc([C@H](C)N=C(O)C(C)(C)Oc2ccc3c(c2)CCCC3=O)ccc1OCc1ccncc1"]
["19707569","C[C@@H](Cn1cncn1)NCc1ccc2nonc2c1"]
["173373530","C=CC1=C(N)CC=CC(CN(CC(=O)OC(C)(C)C)C(=O)CNC(Cc2ccc(/C=C\\C=C/C)c(C)c2)C(O)=NC)=C1.CC(C)C"]
["147005989","Cc1ccc(NC(=O)C2(CN=C(O)CCc3ccccc3N)CCCC2)cc1C.Cl"]
["MCULE-5360516389","COc1ccc(C)cc1N=C(O)COc1nonc1CC(O)=NCCN1C(=O)CSC1=O"]
["18829484","COc1cc([C@@H]2C3=C(CCCC3=O)N=C3CCCC(=O)[C@H]32)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1"]
["135212468","CN(Cc1ccc(OC(F)F)cc1)C(O)=Nc1ccc2c(c1)C(=O)CCC2"]
["169804785","N#CC(C#N)=c1cc/c(=C\\c2ccc(C3=C4C=C5C(=O)SC(c6ccc(/C=c7\\ccc(=C(C#N)C#N)s7)s6)C5C=C4C(=O)S3)s2)s1"]
["11962758","COC(=O)CCCn1c(=C(C#N)C#N)s/c(=C/c2ccc(Cl)cc2)c1=O"]
["182201314","O=C1SCC(/C=C/C(O)C(F)(F)c2ccccc2)N1C/C=C\\c1ccc(-n2cnnn2)s1"]
["97092061","CCC1(CC)c2cc(-c3ccc(/C=C(\\C#N)c4ccc(/C=C(\\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21"]
["191174222","Cc1ccc(N(c2ccc(-c3ccc(/C=C(\\C#N)c4ccc(C(=O)O)o4)s3)cc2)c2ccc(-c3ccc(/C=C(\\C#N)c4ccc(C(=O)O)o4)s3)cc2)cc1"]
["97571602","N#C/C(=C\\c1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)s1)C(=O)O"]
["28008063","N#C/C(=C\\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O"]
["109306211","CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\\c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1ccc2c(c1)OCO2"]
["183052118","[N-]=[N+]=NCC#CCN1C(=O)CCC[C@@H]1/C=C/[C@@H](O)C(F)(F)c1ccccc1"]
["58788183","CCOC(=O)c1c(N/C=C(\\C#N)c2nc(C)cs2)sc(C)c1CC"]
["103140966","CC(C)(C)C(=O)/C(C#N)=c1\\s/c(=C/c2ccccn2)c(=O)n1-c1ccccc1"]
["182735963","N#[N+][N]C1SC2=C(C3=PC4=CC=CC4=C3)C(=C3C=C4C=CC=C4[As-]3)C(=C=CC3=C=CC=C3)C2=C1CC1=NC2=CC=CC2=C1.[Sb]"]
["149805639","C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=NN=C2C[C@@]46C[C@]78c9c(ccc(O)c9O[C@@H]27)C[C@@](CC=C)(N4)[C@]68O)C=C[C@H]3[C@H]1C5"]
["149843318","C=CCC(F)(CC)c1cc(C(F)(F)F)cc(C(C)(N)CC(C)=CC(=O)N2CCN3CC(CCO)(CCO)CC3C2c2ccccc2C)c1"]
["190402354","[2H]C([2H])([2H])Oc1ccc2c3c1OC1[C@@]4(OC)CC[C@@]5(C[C@@H]4[C@](C)(O)C(C)(C)CC)[C@@H](C2)N(CC2CC2)CC[C@]315"]
["181826949","CN1CC[C@]23C4=C5C=CC(O)C4(c4ccc(Br)cc4)O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5"]
["171805945","C=CCN1C(=O)/C(=C\\c2ccc(C3OCCO3)o2)C(O)=NC1=S"]
["153775264","C[C@H]1[C@H]2Cc3ccc(C(O)=NCCc4ccc(-c5ccccc5)cn4)cc3[C@@]1(C)CCN2CC1CC1"]
["154014117","COc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCCCc4ccccc4)C[C@H]4[C@H](C2)N(C)CC[C@]314"]
["79489820","C=CCC1/C=C(\\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(/C(C)=C/C3CCC(OS(=O)(=O)c4ccc(I)cc4)C(OC)C3)C(C)/C=C/C1=O)C(C)CC2OC"]
["97226203","COC(=O)N1CC[C@@]23c4c(ccc(OC)c4O)C[C@H]1[C@@H]2C=CC(=O)[C@H]3C"]
["74676805","CN(C)[C@@H]1Cc2ccc(C(=N)O)c(O)c2C2(C)C[C@H](N=C(O)C[C@@H](N)C(=O)O)CC[C@@]12O"]
["83278015","CC1C2Cc3ccc(O)cc3C1(C)CCN2CCC1OCCO1"]
["56641211","C=CCN1C(O)=NC(c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)c2cccc(OC)c2)CC1"]
["179359843","CCC1CC(C[I-]CCC2CC(C[I-]CCC3CC(CI)C4C5CC(C6COC(C)(C)C65)C34)C3C4CC(C5COCC54)C23)C2C3CC(CC3OC)C12"]
["195750926","CCC(=O)OC1CC2CC1[C@H]1C3CC(C4CCCC43)C21"]
["112739657","CCOC1CC(NCC2COCC2N)C1(C)C"]
["160548483","CCCC1CC1N=C(O)N1CCOCC1C1CCCC1OC"]
["150381120","CCC1CC2C(C1)C1C3CC2C1C(C(C)C)C(C)(CC)C3"]
["24892514","CCC(CC(C)C(=O)OC1CC2CC1C1C3CC(CC3C(=O)O)C21)C(=O)OCC1CC2CC1C1C3CC(C(O)C3O)C21"]
["176244955","CCOC(=O)c1cc2cc(C3C4COC(C)(C)C43)ccc2n1CC#N"]
["104043620","Cc1ccc(O[C@@H]2C[C@H]3C[C@@H]2[C@H]2COC[C@H]32)cc1"]
["183917506","COC1COCC(CC2CCC(F)(F)CC2)C1N=[N+]=[N-]"]
["189224309","OCCCCC1CC2C3CC4CC(CCOI)C4C3C12"]
["49111584","CCC1CC(CC)C2C3CC(CC3C(=O)OC3(C)CCCCC3CC3CCCCC3)C12"]
["31702871","CCC1CC(CC)C2C3OC(CC3C(=O)OC3(C)C4CC5CC(C4)CC3C5)C12"]
["191415176","CC1=C(C)N(C)Oc2c1c(=O)c(C)c(C)n2C.CC1=C(C)N(C)Sc2c1c(=O)c(C)c(C)n2C"]
["153503900","CC1(C)[C@@H](C[N+](C)(C)C)OC(=O)N1Cl"]
["174305241","Cc1cn(C)c(C)c(C)c1=O"]
["193411701","Cc1c(NO)nc(=O)n(C)c1C.Cc1c(O)nc(=O)n(C)c1C"]
["88123673","Cc1nc2n(C)c(C)cn2c(=O)c1CCO"]
["199765219","CCc1c(C(=O)O)c(=O)c(-c2ccco2)c(C)n1C"]
["171808326","CSc1c2c(n(C)c(=O)c1C)CNC2"]
["47972715","Cc1cccc(/C=C/C(=O)c2c(O)c3c(n(C)c2=O)CCCC3)c1"]
["163113672","Cc1nc(O)oc1-c1[nH]c(=O)n(C)c1C=O"]
["51168358","Cc1nc(C)c(C)c(N2C(=O)C3C(C2=O)C2C(=O)N(c4c(C)c(C)nc(C)c4C)C(=O)C32)c1C"]
["169658145","Cc1nc2c(=O)n(C)c(C)cn2c1F"]
["178513005","Cc1c(Br)cn(CC2CCOCC2)c(=O)c1N"]
["79833714","FCCCC[SiH]1CCC(Br)(I)CC1"]
["171458169","FCCCCN1CC1"]
["144861298","NC1(c2ccc(CCCF)cc2)CCC1"]
["79262089","FCCCCCC(F)C(F)F"]
["113508703","CCN(CCCF)CC1CCCN1"]
["79661464","CCCCC[Si@H]1CC[C@H]([Si@H]2CC[C@H](COc3ccc(C#N)c(F)c3)CC2)CC1"]
["26626746","CCCCC[Si@H]1CC[C@H](CCCCc2ccc(OC)cc2)CC1"]
["180771018","CC=S(N)C1(CF)CC1"]
["CSSS02125719808","CC(O)=NC1(CCF)CC1"]
["67154008","FCCCOB(OCCCF)OCCCF"]
["183639629","CCC1(Br)CCCS1"]
["165844858","NC1(c2ncc(C[B-](F)(F)F)cn2)CC1.[K+]"]
["74373905","O=C1COCCN1c1ccc(NN(c2ccc([N+]3([O-])CCCCC3)cc2)N(Nc2ccc([N+]3([O-])CCCC3)cc2)c2ccc([N+]3([O-])CCCCC3)c(F)c2)cc1F"]
["19596411","COC(=O)c1ccc(S(=O)(=O)Nc2cc(N3CCOC3=O)ccc2F)cc1"]
["172159632","CCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccc(F)c(Cl)c2)CC1"]
["14675007","COc1cc(NC(=O)c2cccn2Cc2ccccc2)ccc1N1CCOC1=O"]
["98929361","CCN(CC(C)(C)C)[C@H](CNC(=O)c1ccc(Cl)s1)C(O)=Nc1ccc(N2CCOCC2=O)cc1OC(F)F"]
["144420181","CC(C)C(C)NC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1"]
["MCULE-5030332495","COC(=O)N1CCN(C(=O)c2cc(F)c(-c3cccc(F)c3OC)cc2F)CC1"]
["MCULE-8444507554","O=C(C1CCCO1)N1CCOc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21"]
["8734280","OC(=N[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(N2CCCC2)c(F)c1"]
["136330035","CC(C)CC1COCCN1C(=O)Nc1ccc(F)cc1CS(C)(=O)=O"]
["82182755","O=C(Nc1ccc(N2CCOCC2=O)cc1)OC1CC(O)CN1C(=O)C=Cc1cccnc1"]
["MCULE-6708397935","CC(C)Oc1ccccc1-c1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2=O)cc1"]
["184461836","CC1C(N)C(I)C(N)C(I)C1N=C(O)NC1C(I)C(N)C(I)C(N)C1I"]
["160828752","C[C@H]1[C@@H](N=C(O)Nc2cc(N(C)C)c(Br)cn2)CCS1(=O)=O"]
["150178539","CC(N=C(O)Nc1cc(N)c(C(=N)N)cn1)c1ccc(F)c(F)c1"]
["158873080","CC[C@@H]1C[C@H]1NC(O)=N[C@@H]1CCO[C@H](C(C)C)C1"]
["9795166","CC(O)=N[C@H]1[C@@H]([C@H](O)[C@@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N"]
["132116793","CC1CCCC(C)C1NC(O)=NC1CCN(C(=O)C2CCCCC2)C1"]
["33758342","CC(C)C1CCCC(C)C1C(=NN=C(O)Nc1ccc(Br)cc1)C1C(C)CCCC1C(C)C"]
["45844040","COC(O)=NC1CC(C)=C(C)CC1I"]
["23096657","CC1CCCC(N=C(O)C2(C)CC2(Br)Br)C1C"]
["137640242","C#CC(C)N=C(O)N[C@H]1CC[C@H](C)CC1"]
["147376455","CC(C)Oc1ccc(C(C)N=C(O)C2CC3CCCC(C2)C3N)cc1.Cl"]
["95358285","CC(CCCN=C(O)N[C@H]1CC[C@H](C)CC1)C(=O)O"]
["161382668","CSCS/C=N/C=C(\\CN)OCCOCCOCCOCCOCCOCCN/C=C(/COCCOCCOCCOCCOCCOCN)N=N"]
["94523096","CCCCOCCOCCOCCNCCOC(=N)O"]
["139854893","CCOCCOCC(O)=NC1CCOC(C(CC)CC)C1"]
["193138647","CC(=O)CCOCCOCCOCCOCCNC(CC(C)=O)C(=O)OC(C)(C)C"]
["179625938","CC(C)COCCOCCOC(=O)C(O)C(O)C(=O)[O-]"]
["172356319","CN(C)CCCCC(N)C=O.CNC(CCCNC(=N)O)C(=N)O.CNCCOCCOCCOCCOCCC(O)=NC(C=O)C(C)C"]
["67685108","COC(=O)C(CCSC)N=C(O)c1cc(OCC(/C=C/C(N)CS)C(C)C)ccc1C(C)C"]
["154004589","Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](N=C(O)c2csc(-c3ccc(Cl)cc3)n2)C(=O)OCCOCCN(C)C)cc1"]
["194736562","CCCCNCCOCCOCCN=C(O)c1cc(N)ccc1CN"]
["26633468","CCCCCCCOC(=O)COCCOCCOCC(=O)OCCCCCCC"]
["186621046","CNCCOCCOCC[C@](C)(OCCOCCOCCC(O)=NC/C=C/C(C)C)SSC"]
["78731915","C=C(OCCOC(=O)C(N)CC(C)C)C(CC(C)C)NN=N"]
["184157524","CC(C)(C)N1CCN2CCN(C(C)(C)C)C3(C2)CN(C(C)(C)C)P13"]
["194231687","CCCCOC(=O)C1(Cl)CN(C)CCN2CCN(CCN(C)CC(Cl)(C(=O)OCCCC)C2)C1.[Mn+2]"]
["155059180","CC(C)(C)N1[C@H](C(=O)O)C[C@H]2CCN1C2"]
["64288740","CC(C)(C)N1CC(N)(C(=N)O)C1"]
["44190143","CC(C)(C)N1CCNC2(CCCC2)C1"]
["191222227","CC(C)(C)C1CN(C(C)(C)C)C2(O1)OC(C(C)(C)C)CN2C(C)(C)C"]
["85064572","CC(C)C1CN(CC(C)(C)S(C)(=O)=O)CCN1"]
["78777837","CC(C)(C)C1CCN(C(C)(C)C)CC12CC2"]
["92162762","COCC(C)N1CC2(CCCC2)NCC1C(C)(C)C"]
["64125269","CC1(C)CCN(C(C)(C)C)C1"]
["91921261","CC(C)(C)N1CCN(C(CO)C(N)C2CC2)CC1"]
["120506243","CC(C)(C)N1CCC(CN)(C(F)F)CC1"]
["189966660","C[Si-](C)CC[si]1[o+][si-][o+][si-][o+]1"]
["49159131","C[Si+](C)COCCCC[Si-](C)C"]
["161699778","C=CCCC[Si-](C)C"]
["170537497","C[Si-](C)CC[SiH](C)C"]
["62374884","CCCCCC[Si-](C)C.[Na+]"]
["172355542","C[Si-](C)CCCNCCN"]
["64972343","C[Si-](C)CCc1ccccc1.[K+]"]
["67958262","CCCCC[Si]1O[Si-]=[O+]1"]
["181847998","CCC1(CC)CCCC[OH+]1"]
["26572316","C[Si+](C)CC[Si-](C)C"]
["97163321","[2H]C([2H])CC([2H])[2H]"]
["47097968","OCCCCCCO.[o+]1[si-][o+][si-][o+][si-][o+][si-][o+][si-]1"]
["169880415","BN(C)CN(C)CN(C)COS"]
["184999801","CCOCN(C)CO"]
["22108919","CC(C)[C@@H](C)[NH+]=C(O)CN(C)CC(=O)N(C)C"]
["56535220","Cc1ccc(-n2c(C)cc(C(=O)CN(C)CC(=O)N(C)C)c2C)cc1"]
["191573142","CN(C)CCOc1cccc(=N)[n-]1"]
["53023349","CN(CCCCC(=N)S)CC(=N)O"]
["173334742","CC([O-])CN(C)CC(C)[O-].[Y].[Y]"]
["79031031","CC(C)(C)OOC(C)(C)C.CCN(C)CC"]
["MCULE-7349886087","COCN(Cc1ccccc1)S(=O)(=O)N(C)C"]
["54280599","CN(CCCCN(C)CCOS(C)(=O)=O)CCOS(C)(=O)=O.Cl"]
["13042780","CCOC(=O)C(C#N)c1c(C)c(C)c(C)c(C)c1C"]
["86576609","CCOCCN(C)CC(C)CS"]
["78331887","O=N[N-]N=NN=NN=N[NH+]=NN=NN=NN=NN=NS(=O)OO"]
["174974460","O=S(OO)OO.[H-].[Na+]"]
["178537358","C[NH+]=NN=NN=NI"]
["166249439","CCOC(=O)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1"]
["78479373","O=S(O)/N=N/N=N/OO"]
["68648807","O=S(=O)=S(=O)(OO)OOO"]
["187053694","O=S(O)/N=N/N=N/N=N/N=N/OO"]
["54539159","O=NS(=O)OO"]
["25668694","Cc1ccc(S(=O)OO)cc1"]
["192753715","CC#CC[C@H](C)C(=O)N(C)[C@H](C)[C@H](OC(C)=O)c1ccccc1.CC#CC[C@H](C)C(=O)O.O=N/N=N/N=N/N=N/N=NS(=O)OO"]
["19834741","CCOC(=O)c1sc2[nH]c(CC(O)=Nc3nccs3)nc(=O)c2c1C"]
["64966397","NOOOS(=O)OOO"]
["175432522","CON1C=CN2C(Br)=CSC2=C1"]
["66583518","COc1cc(OC)c(C(CN)N2CCOCC2)cc1OC"]
["197386235","COc1cccc(Br)c1C1(CCN)CC1"]
["42728704","COc1ccc(S(=O)(=O)N(C)CC2CCN(C)C2)cc1Br"]
["106056481","COc1ncccc1[C@@H](N)c1sccc1C"]
["9329522","CCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br"]
["159021918","Cc1ccc([C@H](c2cccs2)N2CCOCC2)c(C)c1"]
["50682443","CCOc1c(Br)csc1C(=O)OC"]
["187775353","COn1c(=O)c(Br)cc2c(=NC(C)c3cccc(C(F)F)c3F)nc[nH]c21"]
["113049825","COCC(CCBr)NC(=O)c1cc(C)c(C)s1"]
["111777954","COc1cc(Cc2sc(=N)[nH]c2C(C)C)c(Br)cc1Br"]
["175183256","CON1CCN(OC)C1=Cc1ccccc1"]
["168459351","CC1=C[C+](C)[CH+]C(C)=C1N[As-]"]
["195463256","CC1=CC(=O)N2C=CC(C)C=C2O1"]
["190474583","CNc1cc(F)c(C)c(F)c1.CNc1cc(F)c(C)c(F)c1"]
["MCULE-2762933854","CNCC1C(c2c(C)c(C)cc(C)c2C)C1(F)F"]
["MCULE-7593249489","CCS(=O)(=O)Nc1cc(C)c(C)nc1C"]
["12106146","Cc1ccccc1N=C(S)N[C@H](N=CO)C(Cl)(Cl)Cl"]
["87851536","Cc1nnc2c(N)c(Cl)ccn12"]
["90961479","CC1=C[C+](C)C=C(C)C1=[Ge-]CCCCCC(Cl)Cl"]
["105635010","CC[C@@H](C)Oc1cccc(N2C(=O)C=C(C)C2=O)c1"]
["181395094","CN[SiH2]c1ccccc1C"]
["52512600","CC1=CP(C)(=S)C(c2ccc(C3=C(C)C(C)=CP3(C)=S)o2)=C1C"]
["112266964","COC(CNCc1ccc(Cl)cc1C)OC"]
["173285369","FSC1=CN(SF)C(SF)C(SF)=C1SF"]
["175569566","FSn1cnc2cc(Cl)c(Cl)nc21"]
["68328392","Cc1cc(C2CCC(Cl)C2C)ccc1F"]
["MCULE-6686741248","Cn1cc(C2C(CS)C2(F)F)c(=N)[nH]1"]
["89046046","Cc1cc(C2CNCCN2C(C)C)ccc1F"]
["89537767","Cc1cc(C2CC(N)CN2C)ccc1F"]
["199755889","CN1C[C@@H]2N(SF)C[C@H]1C2(C)C"]
["178094194","C=S1c2c(cc3cc[cH-]n23)C(C)C1C.[Np]"]
["87792566","Cc1cc(SC2CCNC2)ccc1F"]
["87975921","Cc1cc(C2CNCO2)ccc1F"]
["176621069","[B+]=C1N[N-]C(C)=C1SF"]
["149775443","FSc1cccc2c1OCCC2C1CC1"]
["73819922","Pn1c2cnc(Br)cc2c2cc(I)cnc21"]
["195242058","Cn1cnc2c(N3CCN(c4cccc(Br)c4)CC3)ncnc21"]
["28821906","Cn1cc(-c2ccncn2)c2cc(I)ccc21"]
["32721290","Cn1cc(C#N)c2cc(-c3ncc(C(=O)O)s3)ccc21"]
["180320832","[NH2+]=c1ncc(-c2nc(N3CCOCC3)c3ncc(I)cc3n2)c[nH]1"]
["145582674","Cc1cc(I)cnc1I"]
["MCULE-6115159990","Nc1cc(-c2cc(Br)cc(C(F)(F)F)n2)nc2cnc(C(F)(F)F)n12"]
["2098071","Cc1cc(N=C(O)c2ccc(Br)o2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1"]
["179205351","CCC(C)n1ccc2cc(Br)cnc21"]
["163014558","C=C[C@H](N)c1cncc(I)c1"]
["MCULE-7957044927","Cc1cnc(-c2cc(O)n3ncc(I)c3n2)cc1Br"]
["169409734","Cc1ncc(C(=O)O)c(I)c1Br"]
["191671497","C[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)CC[SiH3].C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(CC[SiH3])[Si](C)(C)[Si]1(C)C.C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(CC[SiH3])[Si]1(C)C"]
["185649858","C[Si](C)(C)OS(CC[SiH3])(O[Si](C)(C)C)O[Si](C)(C)C"]
["175762621","CC(C)(C)N[Si](CC[SiH3])(NC(C)(C)C)N([Si](CC[SiH3])(NC(C)(C)C)NC(C)(C)C)[Si](CC[SiH3])(NC(C)(C)C)NC(C)(C)C"]
["199367460","C[Si]1(C)[SiH2][Si@@]2(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si@]2(C)[SiH2][Si]1(C)C.C[Si]1(C)[SiH2][Si@]2(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si@@]2(C)[SiH2][Si]1(C)C"]
["49276039","C[Si]1(C)OC(CCl)[Si](C)(C)[Si](C)(C)[Si]1(C)C"]
["97172613","C[Si](C)(C)[Si]1([Si](C)(C)C)[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si]1(C)C"]
["175601043","C[Si](C)(C)NCCCC[SiH3]"]
["79925146","C[Si](C)(C)[Si](C)(C)CCN.Cl"]
["46131310","C[Si]1(CCSS(C)(=O)=O)O[Si](C)(CCSS(C)(=O)=O)O[Si](C)(CCSS(C)(=O)=O)O1"]
["170599612","C[Si](C)(C)[Si]1([Si](C)(C)C)[Si](=[Si-](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)[Si]1(C)C"]
["97438129","C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)([Si](C)(Cc2ccccc2)[Si]2(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]2(C)C)[Si](C)(C)[Si]1(C)C"]
["170965126","CC[Si](C)(CC)[Si](CC)(CC)CC"]
["193589749","CN=CCN1[Si](Cl)(Cl)N(CC=NC)[Si](Cl)(Cl)N(CC=NC)[Si]1(Cl)Cl.CN=CC[Si]1(Cl)N[Si](Cl)(CC=NC)N[Si](Cl)(CC=NC)N1.C[Si]1(C#N)N[Si](Cl)(C#N)N[Si](Cl)(C#N)N1"]
["112654199","CC1CC(n2c(CCl)nc3c(C#N)cccc32)CCO1"]
["81819026","CC=CCN1CCN(CC#N)CC1"]
["109730868","C[C@@H](N=c1cc[nH]c(C#N)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2"]
["106072037","CN1CC[C@@H](N=c2cc[nH]c(C#N)c2)C1"]
["112825407","COCCCCCn1c(C(C)Cl)nc2c(C#N)cccc21"]
["150402195","CN=Cc1cnc(SCc2cccc(C(=O)O)c2)c(C#N)c1-c1ccccc1"]
["49205945","CC1CCCCCC1N=C(O)C1(C#N)CCCCCC1"]
["150411673","C/C=C/N=C(Cl)N/C=C(/C#N)CC"]
["113602621","Cn1ccc(=NCCCCC(C)(C)C#N)[nH]1"]
["186259214","CCc1nc2c[nH]c(=NC)cc2n1[C@H]1CC[C@H](CC#N)CC1"]
["MCULE-2848771984","N#Cc1cn(CC(=O)N2CCC(NC(=O)c3ccc(F)cn3)CC2)c2ccccc12"]
["181589126","[3H]C1=C([3H])C([3H])=C([3H])C(N)O1"]
["195557613","NC1OC1C(N)C1OC1N"]
["84847673","CC1C(N)CCC1SC1COC1"]
["78343450","B[C@@H]1CC=CO1"]
["171476315","C=CCN1C=COC1C(F)(F)F"]
["183861039","NC1OC=CC=C1CO"]
["159201173","N[C@H]1CCO[C@@H]1CN1CC=CC1"]
["98398994","CC1=COC(N)CC1"]
["84136378","NC1C=C(P(=O)(O)O)CC1"]
["195862544","C#[N+]c1ccc2c(c1)[C@H](C)[C@@H](N)OC2"]
["174365577","NC1C#CC/C=C\\CC1N"]
["78983040","[CH2-]C1[CH]O1.[Na+]"]
["185905972","Cc1sc2c(sc3c2sc2c4sc5c6sc(C(C)C)c(C(C)C)c6sc5c4n(N)c32)c1C(C)C"]
["162082337","Cc1ccnc(Br)c1C(N)C(C)C"]
["MCULE-8601914526","CCOC(=O)c1sc(C(C)C)c(Cl)c1Br"]
["114851319","CCOc1ccc(-n2[nH]c(C(C)C)c(N)c2=O)cc1"]
["114176165","Cc1ccc(Br)cc1Oc1c(N)c(C(C)C)nn1C"]
["105040082","CCc1nc([C@H](N)[C@H](C)CC)sc1C"]
["75989506","CC(C)c1sc2nccn2c1C(C)C"]
["MCULE-1176293964","Cc1cc(C)c(-n2nc(C(C)C)c(C(F)F)c2Cl)cn1"]
["173440042","CCN(C)C(C)C.CNc1sc(C)c(C(C)C)c1C(=O)O.O=CC(=O)O"]
["172246927","CCN(C)c1nc(C)nc2cc(-c3ccc(F)c4sc(C(C)C)c(C#N)c34)c(F)cc12"]
["MCULE-6678062899","CC(C)c1cc(CCl)c(Cl)s1"]
["94212423","CCCNCc1cc(S(=O)(=O)NCC(CC)CC)c(C)s1"]
["190218113","C[Si](C)(C)C1=CC2OC(c3sc4c(Br)c(-c5oc6cc([Si](C)(C)C)sc6c5Br)oc4c3Br)=C(Br)C2S1.C[Si](C)(C)C1=CC2SC(c3sc4c(Br)c(-c5sc6cc([Si](C)(C)C)sc6c5Br)sc4c3Br)=C(Br)C2S1"]
["163919827","Cc1ccc(-c2sc([Si](C)(C)C)cc2Br)s1"]
["20460897","COc1cc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc(OC)c1OC"]
["177282347","Cc1ccc2nc(N3C(=O)C(=O)C(C(=O)c4cc5ccccc5o4)C3c3ccccc3)sc2c1"]
["191711249","CC(=O)Oc1cc2sc(-c3sc4c(Br)c(-c5sc6cc(OC(C)=O)sc6c5Br)sc4c3Br)c(Br)c2s1.CC(=O)Oc1cc2sc(-c3sc4c(Br)c(-c5sc6cc(OC(C)=O)sc6c5Br)sc4c3Br)c(Br)c2s1"]
["178360782","CC#Cc1cc2sc(-c3sc4c(Br)c(-c5sc6cc(C#CN)sc6c5Br)sc4c3Br)c(Br)c2s1"]
["179682260","C=CC(CCOC)C(=O)c1sc(N=C(O)c2cncc(CC)c2)nc1C1=CC#CCO1"]
["97589098","C[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1[Si]21CCCCC1"]
["164502041","CC(=O)Oc1c(C(C)(C)C)cc(-c2sc3c(Br)c(-c4cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c4)sc3c2Br)cc1C(C)(C)C"]
["17742866","Cc1c(C(=O)N2CCC[C@@H](C(O)=Nc3ccc(Br)cn3)C2)oc2ccc(Cl)cc12"]
["153000001","COc1cc(Br)c2oc(-c3cn4c(n3)SC(OC)N4)cc2c1"]
["29217192","Cc1ccc2c(Br)c(-c3sc4c(Br)c(-c5sc6cc(C)ccc6c5Br)sc4c3Br)sc2c1"]
["173897096","[B+]C([B+])([B+])OC([B+])([B+])C([B+])([B+])O[C-]1[CH-][CH-][C-](N2CCN(C([B+])([B+])C([B+])([B+])N([c-]3[cH-][c-]4n(c(=N)[nH]3)[N-]C(=C3[N-][CH-][CH-]O3)[N-]4)C([B+])([B+])[B+])CC2)[CH-][CH-]1"]
["175187018","C.CC.[B+]C([B+])([O-])C([B+])([B+])N1CCN([C-]2[N-]c3ccccc3S[C-]3C=CCC=C32)CC1"]
["187135068","[B]C([B+])(Oc1c[cH-][c-](N2CCN(CCN(C)[C-]([O-])OC(C)(C)C)CC2)[cH-][cH-]1)C([B+])([B+])OC([B+])([B+])[B+]"]
["187135073","[B]C([B+])(O[C-]1[CH-][CH-][C-](N2CCN(CCNC)CC2)[CH-][CH-]1)C([B+])([B+])OC([B+])([B+])[B+]"]
["176397834","[B]C([B+])([B+])C([B+])([B+])OC1CC(N2C=C(N=C(O)C3=CSC(c4cn[nH]c4)[N-]3)[C-](C3=C=CC=C[N-]3)[N-]2)C1"]
["173714527","[B][C@@]([O-])(c1ccc2c(c1C)COC2=O)C([B+])([B+])N1CCC2(CCN(C3=CCC(=O)N(C)[N-]3)C2=O)CC1"]
["175187023","CC.[B]=c1c(=[B+])c(=[B+])[c-]2s[c-]3[cH-][cH-][cH-][cH-][c-]3[n-][c-](N3CCN(C([B+])([B+])C([B+])([B+])OC([B+])([B+])C([B+])([B+])O)CC3)[c-]2c1=[B]"]
["171641167","CC.[B+]C([B+])(O[C-]1CCC(N)=C=C1N)c1c[n-]c(=N)n1C"]
["173897097","[B]C([B])([O-])C([B])([B])N1C([B])([B])C([B])([B])N([C-]2[CH-][CH-][C-](OC([B])([B+])C([B+])([B+])OC([B+])([B+])[B+])[CH-]C2)C([B])([B])C1([B])[B]"]
["77363559","CC(C)(C)OC(=O)C(CC(=N)O)N=c1nc(N2CCN(c3nc(=NC(CC(=N)O)C(=O)OC(C)(C)C)[nH]c(=NC(CC(=N)O)C(=O)OC(C)(C)C)[nH]3)CC2)[nH]c(=NC(CC(=N)O)C(=O)OC(C)(C)C)[nH]1"]
["173897089","[B]C1([B])N([C-]2[CH-][CH-][C-](OC([B+])([B+])C([B+])([B+])OC([B+])([B+])[B+])[CH-][CH-]2)C([B])([B])C([B])([B+])N([C-]([O-])OC(C)(C)C)C1([B])[B]"]
["187135106","CC.[B+]C([B+])(N1CCN(c2ccc(OCCOC)cc2)CC1)C([B+])([B+])N(C)C1=[C-]C2[N-]C(=C([N-]C)OC)[N-]N2C(=N)N1"]
["103013972","N=c1[nH]c(N)c(N=CC2=S=C(c3ccc(-c4sc(-c5ccc(-c6ccc(C=Nc7c(N)[nH]c(=N)[nH]c7=N)s6)s5)c5c4OCCO5)s3)C=C2)c(=N)[nH]1"]
["161283425","CC(/C=C/c1ccc(-c2sc(-c3ccc(/C=C/C(C)=C(C#N)C#N)o3)c3c2OCCO3)o1)=C(C#N)C#N"]
["90345864","COc1cc(C=NN(c2ccccc2)c2ccccc2)cc2c1OCO2"]
["167565136","CN/C(C#N)=C\\C=C\\c1ccc(-c2sc(-c3ccc(/C=C/C=C(C#N)C#N)o3)c3c2OCCO3)o1"]
["54837416","C(=N[C@@H]1CCCC[C@H]1N=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)s2)s1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)s2)s1"]
["116279597","COc1cc(C)cc(OC(C)C)c1-c1sc(-c2c(OC)cc(C)cc2OC(C)C)c2c1OCCO2"]
["144977323","CSc1c(-c2c[nH][nH]c2=N)ccc2c1OCCO2"]
["170032826","OC1=N[C@H]2CN(C3CC3)CC[C@H]2N1c1nc2c3c(ccc2s1)OCCO3"]
["175463000","CC.Cc1ccc(-c2ccc(C=Nc3ccccc3)s2)s1"]
["91006920","CCN(N=CC=Cc1ccc(-c2ccc(-c3cccs3)s2)s1)c1ccccc1"]
["200165135","CCc1nnc(CN(N)/C=C(\\N)CN2CCC3(CC2)OCCc2sc(CC)cc23)o1"]
["23510389","O=c1c(/C=N/CC2CCCO2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1"]
["190450094","CN=C(O)c1c(Cl)c(C(O)=Nc2c(F)c(C)c(F)c(Cl)c2F)c(C(=O)O)c(Cl)c1C(=O)O.CN=C(O)c1c(Cl)c(Oc2c(F)c(F)c(Oc3c(F)c(F)c(Oc4c(Cl)c(Cl)c(C(=O)O)c(C(O)=Nc5c(F)c(C)c(F)c(Cl)c5F)c4Cl)c(F)c3F)c(F)c2F)c(Cl)c(Cl)c1C(=O)O.CN=C(O)c1c(F)c(C(O)=Nc2c(F)c(C)c(F)c(Cl)c2F)c(C(=O)O)c(F)c1C(=O)O"]
["65952039","Cc1ccc(/C=C(\\C#N)C(=O)O[C@H](C)C(O)=Nc2ccc(Cl)cc2F)cc1"]
["151567345","CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](CC)C(O)=NC)c2ccc(F)cc2)cc1"]
["25791957","O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=Nc1ccc2c(c1)OC(F)(Cl)C(F)(F)O2"]
["20254623","Cc1cc(Cl)ccc1OC(=O)CN=C1NS(=O)(=O)c2ccccc21"]
["188933340","Cc1ncsc1COc1cc2c(C(O)=NC3(CO)CCOCC3)c(C)oc2cc1Cl"]
["171813240","CN=C(O)c1cc(Br)cc(C)c1N=C(O)c1cc(C(F)(F)F)nn1CC(F)F"]
["88583881","O=C(O)c1ccsc1NC(O)=Nc1c(Cl)cc(F)cc1Cl"]
["MCULE-1997458195","CCCc1c(C(O)=NC)cnn1-c1ccnc(OCC)c1"]
["84398587","CN=C(O)c1cccc(OCC(=O)N2CCN(c3ccccc3F)CC2)c1"]
["197616175","O=C(O)c1c(Cl)ccc([N+](=O)[O-])c1N=C(O)C(F)(F)F"]
["74407207","Cc1c(F)c(F)c(Oc2ccc(N=C(O)N=C(O)c3c(F)cccc3F)c(F)c2)c(Cl)c1F"]
["178426830","CO[C@@H]1C[C@@H]2CNC[I+]2([C@@H]2[CH-][CH-]C(C)=C(C)C2C)C1"]
["107718613","COC(=O)c1cc(C)nc(N2C[C@H](C)C[C@@H](C)C2)n1"]
["90772357","COC1CC(O[Si](C)(C)C(C)(C)C(C)C)C(COC(=O)c2ccc(C)cc2)O1"]
["73589876","COc1ccc2c(c1)NC[C@H](C)N2"]
["77818600","COC1CNCC1NC(=O)c1cc(C)nc2ccccc12"]
["157024779","CO[C@H]1CC[C@@H](N=c2cc[nH]cc2)C1"]
["94411025","CNC1CC(Oc2ccc(Cl)cc2)C1OC"]
["64974237","COC(=O)C(N=C(O)C1CC(OC)CN1)c1ccccc1"]
["158033993","C[C@H]1CC[C@H]1N=c1ccn(C)[nH]1"]
["104990185","CO[C@@H]1CN[C@@H](C(O)=N[C@@H](C)c2ccccc2)C1"]
["56960708","CO[C@H]1CNCC1Nc1nc(C)ccc1C(N)=O"]
["45662371","COc1ccc(S(=O)(=O)NC2CNC[C@@H]2OC)cc1C"]
["179966936","CI=c1[cH-]c2sc3c4c5cc(=IC)c(=IC)cc5sc4c4c5[cH-][c-](I)c(I)cc5sc4c3c2cc1I"]
["45142009","COCc1c(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)sc2cccc(F)c12"]
["610057","CC(C)NC(=N)c1ccc2c(Cl)c(C(=O)Nc3ccc(Br)cc3)sc2c1"]
["163320753","COC(=O)c1cccc2sc(OC)c(Br)c12"]
["MCULE-2820486692","COc1ccc(C2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CCS2)cc1"]
["162773094","COc1cc2c(OC)c(I)ccc2s1"]
["162706623","COc1cc(I)cc2cc(Cl)sc12"]
["162798016","CSc1cc(C#N)c2cc(O)sc2c1"]
["180497113","CI=C(O)c1ccc(Nc2nc3ccccc3s2)cc1"]
["172069233","C=CSc1ccc(-c2nccc3sc4cc5c(C)coc5cc4c23)cc1C(C)(C)C"]
["6835910","COc1cccc2c3c(c[n+](C)c12)sc1cc(F)ccc13"]
["33099237","COc1c(NC(=O)c2cc3c(N)cccc3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O"]
["100323956","CC1C2CC(C(S(=S)(=S)S)C3CCC(N3)C([S-](=S)=S)C3CCC(C(C)C4CCC1[NH2+]4)N3C)N(C)C2"]
["184150258","C=C(NC[C@@H](C)C1CC1)N(C)CC1C(C)C2C(NC(C3CC=C(OC)NC3)C[C@@]2(C)N2CCOCC2)N1C"]
["87012493","CC1CC(N=C(O)C2CC3CCCCC3N2)CCN1C"]
["157333500","CC(C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)CC1"]
["105731917","COCC[C@@H](O)[C@H]1CCC[C@@H](C)C1"]
["159132939","CN1C[C@H]2CC[C@H]1[C@@H](N=C(O)Cl)C2"]
["188939841","CO[C@]1(C)C[C@@H](C)CN(C)[C@H](C2CN(C(=O)CCCN(C)CC3CC3)C2)COC(=O)C(C)(C)C(=O)[C@H](C)[C@H]1OC1O[C@H](C)C[C@H](N(C)C)[C@H]1O"]
["157546436","C[C@@H]1C[C@H](C)CN(C[C@H](C)N=C(O)[C@@H]2C[C@H]3CCCC[C@H]3N2)C1"]
["45475096","CC1CCN(S(=O)(=O)NC2CC[C@H]3CNC[C@H]3C2)CC1"]
["91925513","CCC(C)C1CNC(C2CC2)CN1CCCCOC"]
["92571148","CC1CCCN(S(=O)(=O)NC2CNCC2C)C1"]
["109192326","Cc1ccc([C@@H](CC(O)=N[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c2ccco2)cc1"]
["78273802","O=[N+]([O-])CCCCCCCCCCOCCCCC[CH+]CCCCN([O-])[O-].[K+]"]
["170101441","CCCCCCCCCCCCCCCCN(CC(OC)OC)c1ccc(OC)cc1[N+](=O)[O-]"]
["59900417","CCCCCCCC/C=C/CCCCCCCCOCCCOP(=O)(O)COS(=O)(=O)c1ccc(C)cc1"]
["169397736","CCCCCCCCCCCCCCCCN(C(=N)N)c1ccccc1[N+](=O)[O-]"]
["42448272","CCCCCCCCCCCCCCCCOCC(COP(O)OCCCC[NH+](C)C)CC(C)=O"]
["91329012","CCCCCCCCCCCCN(CCOCCOCCOCCO)C(C)=O"]
["53338679","CCCCCCCCCCCCCCCOCCCCC"]
["185536375","CCCCCCOCCOC(=O)c1ccccc1O"]
["91163823","C=CCN(CC=C)CCCCCCCCCCCCCCCC.O=[N+]([O-])O"]
["34663809","C=CCCCCCCCCCOCCOCCOCCON=C(O)OCC(C)c1ccccc1[N+](=O)[O-]"]
["196442955","CCCCCCCCCCOCCN(CCOCCCCCCCCCC)C(=O)COCC(=O)N(CCOCCCCCCCCCC)CCOCCCCCCCCCC"]
["88446279","CCCOCCCNc1ccc([N+](=O)[O-])c(C#N)c1"]
["50113534","COC(OC)([Si]C)n1c(=O)n(C(OC)(OC)[Si+]C)c(=O)n(C(OC)(OC)[Si-]C)c1=O"]
["50087469","CCCCCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(CC)s2)cc1OC"]
["176626741","CC.COc1cc(C)cc2c1n(C)c(=O)n2C"]
["194357678","COc1cc(C)c(N2CCC(C)C2=O)c(C)c1.[Y]"]
["22675864","COc1ccc(CC(C)NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1"]
["178217271","CCOC(=O)c1cn([C@H](C[O+]=[Si-]C)C(C)(C)C)c2cc(OC)c(C)cc2c1=O"]
["8740071","C=CCn1c(=O)n(CC=C)c(=O)n(CC(O)=Nc2ccccc2OC)c1=O"]
["26203767","COC1=CC(=O)C(Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)CC1"]
["97865733","COC1=C(N2CC2C)C(=O)C(OC)=C(N2CC2C)C1=O"]
["MCULE-8507170820","COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1CCC(O)=Nc1cc(=O)n(C)c(=O)n1C"]
["MCULE-8991535840","COc1ccccc1N1CCN(C(=O)CCc2cc3c(cc2C)n(C)c(=O)n3C)CC1"]
["90948555","COc1ccc2ccn(O)c(=O)c2c1"]
["78051631","CC(C)(C)BNB(NB(N)C(C)(C)C)C(C)(C)C"]
["164117904","C/C=C(\\C)CC(C)(C)NC"]
["109622738","CC(C)(C)Oc1ccc(NCCCN)cc1"]
["195464927","CNC1C(C)C1(N)N"]
["79027245","CN[SiH](C(C)(C)C)C(C)(C)C"]
["195386754","C#[N+][C@@](C)(N)[C@@](C)(N)NC"]
["192713820","CNC(C)(C)N(C)N"]
["89657862","CNCc1c[nH]c(-c2ccc(C(C)(C)C)cc2)n1"]
["182274146","C[SiH](ON)C(C)(C)C"]
["79703649","CC(C)(C)[PH](C)(C)C[PH](C)(C)C(C)(C)C"]
["180439647","CNC(C)C(C)(C)CS"]
["195877453","CONOC(NOC(C)ON)OC"]
["179282177","C[CH-]COC1=C(CC2C[Cl+]2)[CH-][CH-][C-]=C1CC1C[Cl+]1"]
["166875209","Cc1ccc(Cl)c(C(=O)N2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)c1"]
["171371400","c1ccc([C@H]2C[C@H](c3ccccc3)P[C@H]2CC[C@@H]2P[C@@H](c3ccccc3)C[C@@H]2c2ccccc2)cc1"]
["98083992","CCOC(=O)[C@H]1C[C@H]2CC[C@@H](N2)[C@H]1c1cccs1"]
["3097994","CC(C)=C[C@@H]1[C@@H](C(O)=NCC2(c3ccccc3)CC2)C1(C)C"]
["75621766","C[CH]COc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1"]
["157533248","CN1CCNC[C@H]1c1noc(COc2ccccc2)n1"]
["MCULE-6879407415","Cc1ccc(C=C2Oc3c(ccc(OCC(=O)N(c4ccccc4)c4ccccc4)c3C)C2=O)o1"]
["156153605","NS(=O)(=O)N1CCNC[C@H]1c1nc[nH]n1"]
["144992494","COc1c(O)cc(Cl)c(C)c1CC1CCCNC1"]
["94180997","CCOc1cccc(CC2CCC(C)NC2)c1"]
["109477388","CC(=O)O[C@@]1(c2ccccc2)CCN(C)C[C@H]1C(=O)c1ccccc1"]
["44770483","C[Ge](C)(C)C#CC(=C=C([Ge](C)(C)C)[Ge](C)(C)C)[Ge](C)(C)C"]
["135035292","Cc1nc(C(F)(F)F)ccc1C(=O)OC(C)(C)C#N"]
["96869096","CCOC(=O)C(=C=C([Ge](C)(C)C)[Ge](C)(C)C)[Si](C)(C)C"]
["161698660","CC(C)(O)C#C[Ge](C)(C#CC(C)(C)O)C#CC(C)(C)O"]
["175123599","Oc1cc2c3cc(O)c(O)cc3c3cc(O)c(O)cc3c2cc1O.c1ccccc1"]
["48285937","CC(C#N)C(=O)N(C)Cc1csc(Br)c1"]
["170857989","CCn1cc(C(=O)CN)c2ccccc21"]
["91019325","CC1(C)Oc2c(c(O)c3ccccc3c2O)C1(C)C"]
["90627060","CCOC(=C(C#CCO)SC)C(F)(F)F"]
["97962813","C#CC1C[PH](C)(O)CC1C(F)(F)F"]
["163370308","CCc1ccc2sc(CC#N)c(O)c2c1"]
["52151692","CC(=O)C#C[Si](C)(C)c1ccc([Si](C)(C)C#CC(C)=O)cc1"]
["192539041","CCC(C)N(CCNC(F)(F)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)C(F)(F)CF.CCC(C)N(N(C(C)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)CF.CCCN(CCN(C(F)(F)CN(C(C)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(C)CC"]
["85004054","CCC(CC)N(CC(C)C)CC(CC)(CC)CNC(C)C"]
["79410069","CCCCCCC(F)(F)C(F)(F)C(F)(F)NCC.Cc1c(F)c(F)c(F)c(C(F)(F)F)c1-c1c(F)c(F)c(F)c(F)c1F"]
["44482193","CCOCCN(CC(F)(F)F)C(C)CC"]
["92968479","CCCNC(C)(C#N)CCCN(C)CC(F)F"]
["52200405","CCC(C)N(CCOC)Cc1c(N)cccc1F"]
["189161247","CCCN(CCc1c[nH]c2c(F)cccc12)C(C)CC"]
["105720049","CCCN(CC(F)(F)F)[C@H](C)CNCCCOC"]
["180285260","CCCN(C)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(C)(=O)=O"]
["42469142","CCC(C)N(CCOC)Cc1ccoc1CNC(C)(C)C"]
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["170769161","CC1=CC=C2C=C3c4cc5oc6cc7c(cc6c5cc4OC3CC2C1)=CCC(N(c1cccc(C)c1)C1C=CCCC1(C)C)C=7"]
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["57097774","C1CNCCNCCNCCNCCNCCN1.Cl.[Cu]"]
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["172998615","O=C1N=C([O-])C(=O)C(O)=N1.[H].[Sn+]"]
["185477658","CC1SP([S-])SC1CC(Cl)Cl"]
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["18355348","CN(C)CCSc1nnc(C[NH2+]C(=O)c2cccs2)n1C"]
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["26475919","C=CCCN1CN(CC=CC)C(=O)N(c2snc(CC)c2C)C1"]
["76690165","CC=Cc1nc2cscc2c(=O)n1C"]
["195168244","C/C(=c1/c(C)ns/c1=C/N)C(C)C.CC"]
["172411858","CN1C(=O)N(C)S(=O)(=O)c2ccc(N)cc21"]
["99134141","CC=C1N=C(CC(C)C)N(C)C(O)C1=CC"]
["47765524","CN1c2ccccc2C(=O)C(=CNc2ccccn2)S1(=O)=O"]
["48305666","C[Si+](CCCCC[Si-]C[SiH](C)C)C[SiH](C)C"]
["149587680","C=NCCC[SiH](C)C"]
["184593643","CCCCCCCCC[Si+](C)C"]
["99399891","CC(C)[O+]=[Si-]CCCCC[Si-]=[O+]C(C)C"]
["161468575","[CH2+]C=[Si-]CCCCCCCC.[Zr+2]"]
["99407472","CC(C)[O+]=[Si-]CCCCCCC[Si-]=[O+]C(C)C"]
["99795549","CC[Si+](CC)C(F)CCCCC[Si-]CC(F)F"]
["172797618","CCCCCCCCCCCCCC[SiH](C)C.O"]
["185711579","C[SiH](C)CCCCCCC=CCl"]
["26252803","C[SiH](C)CCC[SiH](C)C"]
["161804780","O[Si+]CCCCCC[Si-]O"]
["97274006","CCCCCCCCCCCCCCCCCCCCC[SiH](C)C"]
["69582766","C=C1C(=[C+]N)[N-][CH+][N-]C1=C(O)N(C)C.[Yb]"]
["82237259","CN=C(O)CN(C)C(=O)CN=C(O)CCC(C)=O"]
["144903513","CC(N)C1(c2ccc(N(C)C(=N)O)cc2)CC1"]
["164173306","CN(C)C(=O)OC1OCC(F)c2ccccc21"]
["27090263","CC(=Nc1ccc(NC(=O)C(C)N)cc1)N(C)C"]
["94080127","CCn1c(N)c(N(C)CCC(C)O)c(O)nc1=O"]
["79259665","[CH2]N(C)C(C)O"]
["79400282","CN(CC(=O)O)C(=N)O.N=C(O)CNCC(=O)O"]
["159633230","CN(C)/C(=C\\[Si](C)(C)C)SCc1ccccc1"]
["150187316","C=C(c1noc(C)n1)N(C)C"]
["137000653","CCC(C)N(C)C(=O)C(O)=Nc1ccc(C(N)=O)c(C)c1"]
["49930651","CC(C)N=C(O)CN(C)c1ncc(N)cc1C(N)=O"]
["76738674","CC1=NN=C(O)C1=C=CC=C1C(C)=NN=C1O"]
["168161865","CC1=Nc2ccccc2/C1=C\\c1c(O)nc(=S)n(-c2ccc(F)cc2)c1O"]
["178061613","Cc1ccccc1N=C(S)C1=C(O)CC(C)(C)N=C1O"]
["106761570","C[C@H]1C[C@H](C)CN(c2nc(N)c(C=O)c(O)n2)C1"]
["115826317","CC(C)(C)C1=N/C(=C/c2ccccn2)C(O)=N1"]
["69573964","CC=C1C(O)=NCc2c(C)c(C)c(C)c(C)c21"]
["84268665","Cc1ccnc2c1C(O)=N2"]
["173304756","C=C/C=C1\\C(=C/C)\\CC(NC)\\C1=N/N[C]O.CC.[W]"]
["185834198","C[NH+]=C=CC=C1Cc2ccccc2N=C1C"]
["10359303","Cc1cc(Br)c(-c2ccc(C=C3C(O)=NC(=S)N=C3O)o2)cc1C"]
["57036161","CC1=NN=C/C1=C\\NO"]
["178960167","CC(=O)n1cc(C=O)nc1C"]
["154692426","CS(C)=BS12C34SC15S3=[SH]452"]
["187044455","C[N-]C1CCS(=O)(=O)C(C)(C)C1"]
["178722255","C=S(C)[C@@H]1CCSC1(C)C"]
["96748073","CC1(C)SC(C)(C)S1"]
["75256130","CC12SC1(SC13SC1(C)S3)S2"]
["59491743","CS(O)=CS#S12CC1S2"]
["74962186","CC12S[SH]1(=O)S2"]
["97975775","B#S(C)=B[SiH3]"]
["156805005","C[C@]1(c2n[nH]c(=N)s2)CCCS1"]
["184969570","CCC1S2=NC12C"]
["174760211","CS(=O)CC1(C=O)OCCO1"]
["60126107","CS(C)=BCl"]
["79016816","CC#C[C]1C(C#CC)=C=C(C#CC)C(C#CC)=C1C#CC"]
["145729143","CC#Cc1nnc(C(C)(C)C)cc1C(C)(F)F"]
["70267367","CC#CC1=C=C[CH-][N-]C1=O.[W+2]"]
["172279094","CC#Cc1c(F)c(N)cc(C)c1C(F)(F)F"]
["185125049","CC#Cc1csc(=N)[nH]1"]
["150724433","CC#Cc1c(F)ccc(C#N)c1C(F)(F)F"]
["26196595","C[C]1SC(C#N)=C=C1C#N"]
["179361304","CC#CC1=NCCC=N1"]
["180071884","CC#Cc1cnc(I)[nH]1"]
["194516420","CC#Cc1cc(O)nc(O)n1"]
["61808452","CC#CC1=C(SCC(=O)O)CC(C)C1"]
["75973620","C=C1C=C[C](Cl)C=C1C#CC"]
["180003976","C1=NCC(CCN[I+]NCC=C2[CH-]NC=N2)[N-]1"]
["88662322","Clc1csc(=NCC2CNCCO2)[nH]1"]
["150841477","Cc1cc(=NC[C@@H]2CNCCO2)[nH]c(C)c1C#N"]
["178748738","CN[I+]CC1=C(N)N(C)C[CH-][N-]1"]
["163075967","CC=NNC1CC(C)N=C(O)N1"]
["176876395","C/C=C(\\N=CCC)c1ccnc(Nc2cc(O)c3[nH]c(C(O)=NCC4CCCCC4)cc3c2)n1.CC"]
["113323322","C=CCSCCNc1cc(O)nc(C2CC2)n1"]
["195421191","c1ccc(NC[C@@H]2CCC(C3CC3)N2)nc1"]
["198559816","[B]C1([B+])C(Cn2[cH-][c-]([C-]3N=CNC(=N)C3CC(OC)OC)[cH-][n-]2)C([B+])([O-])C([B+])([B+])C1([B+])[B+]"]
["61867286","O=C(O)C1CNCCN1C(=O)c1cnccn1"]
["57378483","C=CCN1CCN(C2=N/C(=C\\c3c[nH]c4ncccc34)C(O)=N2)CC1"]
["146528762","CC(O)=Nc1ccc(-c2csc(N=C(O)CCC3CCNC3)n2)cc1.Cl"]
["183060407","[N-]=N[N-][C+]([O-])N1CCC(C2C#[N+]CC2)CC1"]
["120263306","CC(C)N1CCC(NC2C3C4CCC(C4)C23)C1"]
["52827393","CC1=C(C)C(C)C([Si](C)(C)NC2CCCCC2)=C1C"]
["197596940","CC(=O)N1CCC(C2CCCCC2C(=O)O)CC1"]
["162361905","CSC1CCCN(S(C)(=O)=O)CC1"]
["158137523","C[C@H]1CN(C)CC[C@H]1NC1CCN(S(C)(=O)=O)CC1"]
["166360131","CS(=O)(=O)N1CCCC(NC(O)=Nc2cccnc2)C1"]
["199325698","CC.Cc1ccnc(N2CCC3CCCCC32)n1"]
["113452237","Cc1cn(C2CN3CCC2CC3)c(NC2CCCC2)n1"]
["156419618","C[C@H]1CCCC[C@H]1NC1CCN(S(C)(=O)=O)CC1"]
["115024781","O=[N+]([O-])c1cnc(Cl)nc1N1CCN(C2CCCC2)CC1"]
["181536699","[N-]=[N+]=NCC(O)=NC1CN2CCC1CC2"]
["56839444","CCC1CC2C(=O)OC3OC(CC)CC(O)C3COCC3CC(O)C(CC)C(OC(=O)C4CC(COCC2C(O)O1)OC(O)C4CC)O3"]
["81581428","CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(C)CC(C)C(=O)C2CC3C(=O)C3C2C1(C)C"]
["156997658","C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@@H](CO)O1"]
["194331930","CC[C@@H]1[C@H](O)[C@H](NC)C2O[C@]3(O)C(OC2[C@H]1O)O[C@H](C)C[C@H]3N=C(O)Cc1ccccc1CO"]
["160578682","CN(C(=O)c1cc[nH]n1)[C@@H]1COC[C@H]1O"]
["90687786","C=C1CC(O)C2C(CSc3ccccc3)C(=O)OC2C2C(C)C(=O)CC12"]
["90572595","CCC1CCC2C1C=CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2C(=O)O[Si](C)(C)C"]
["195420108","CC1=CC(=O)C[C@@H]2C1=CC1C(CC#N)C(C)O[C@@H]1C2C"]
["172187207","CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)C(C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5OC(C)[C@H](OC)C(OC)[C@@H]5OC)C[C@H]4[C@H](Nc4c(C)cc(C)cc4C)[C@@H](O)[C@H]3[C@@H]2CC(=O)O1"]
["106097084","Cc1cc(C)c2c(c1)[C@H](O)[C@@H](N1CCC(C(=O)O)CC1)CO2"]
["154166009","CN1[C@@H]2CC3=C(C(=O)C[C@@H](c4ccccc4)O3)[C@H]1[C@H](O)C2"]
["50032025","CCC1/C=C(\\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(N)C(OCC=Cc4ccccc4)C3)C(C)C(O)CC1=O)C(C)CC2OC"]
["31224701","O=C1CNCC2=C1C(c1ccc(SC3=NC4C=C(Cl)C(Cl)=CC4N3)o1)C1=CNNC1=N2"]
["23152528","CN1CC2=C(C1=O)C(c1ccccc1Cl)NC(O)=N2"]
["161315867","CCSCCO/C(O)=C1\\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc2c(c1)OCO2"]
["63392970","CC1=C2C(=NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2ccc(F)c(Br)c2)ON1"]
["109107329","CCOc1cc([C@@H]2C3=C(CCCC3=O)N=C3N=C(SCc4ccccc4Cl)NN32)ccc1OCc1cccc(C)c1"]
["22824923","O=C1CCCC2=C1C(c1ccccc1Cl)N1NC(SCc3ccc(F)cc3)=NC1=N2"]
["1242877","NC1=C2C(=NC3=C(C(=O)CCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)NC(N2CCCCC2)=N1"]
["153054654","O=C1CCCC2=C1[C@H](c1ccc(O)c(Cl)c1)C1=C(O)CCCC1=N2"]
["102414895","COc1ccccc1N1C(S)=N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1"]
["15550279","C[C@H]1C(C(=O)[O-])=NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2"]
["178787778","Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](C)C1OC1N2"]
["50149148","COc1ccc(N2NOC(=O)/C2=C2/CC(c3cccc(Cl)c3)N=c3ccccc3=N2)cc1"]
["180316395","C1=CN2C(C1)c1cccn1P2Cc1cccc(CP2N3CCC=C3c3cccn32)c1-c1c(Cp2n3cccc3c3cccn32)cccc1P1N2C=CCC2c2cccn21"]
["22111827","C[C@H]1c2cccn2CCN1Cc1cc(C#[NH+])ccc1F"]
["142237438","CCS(=O)(=O)c1c(Cl)cccc1CN1CCCC1c1cccn1C"]
["59650490","O=[N+]([O-])c1ccc(C2c3cccn3CCCN2Cc2ccc(F)c(Cl)c2)cc1"]
["61946418","CC1c2cccn2CCN1CC(O)=Nc1ccc(F)c(Cl)c1"]
["21226558","C[C@@H]1c2cccn2CCN1Cc1cc(C#[NH+])ccc1F"]
["MCULE-6606822711","COc1ccccc1CN1C(=O)C(NC2CCC3(CC2)OCCO3)=C(c2ccccc2Cl)C1=O"]
["171995148","Cc1cc(NC2CCN(Cc3cccnc3C)C2)ncn1"]
["172370035","Fc1cccc(C2=CN=CCC2(CNCC2CCCNC2)n2ccnc2)c1F"]
["19025275","OCC[C@H]1CN(Cc2cccc3[nH+]onc23)CCN1Cc1ccc(F)c(F)c1"]
["63200705","O=[N+]([O-])c1ccccc1CN1CCCn2cccc2C1c1cccc(F)c1F"]
["MCULE-9546628675","COCCCN1CCC(N=C(O)c2cccc(F)c2-c2ccc(F)nc2C)CC1"]
["46510105","CC(C)[O+]=[Si]=[O+][Si-]1(O[Si-]=[O+]C(C)C)=[Si-](O[Si-]=[O+]C(C)C)(O[Si-]=[O+]C(C)C)CCC(O[Si-]=[O+]C(C)C)(O[Si-]=[O+]C(C)C)O1"]
["136814870","COc1cc(C)c(C(C)N=C(O)C2(c3ccc(C)cc3)CCOCC2)cc1OC"]
["133587726","COc1cccc(CNCC2(OC)CCOCC2)c1O"]
["171833530","CCC(N)C(C)O[Si-]=[O+]C(C)C"]
["91972894","CCOC1(C(N)c2ccc(OC)c(OC)c2)CCOCC1"]
["169805456","C=N/C(NC1(C)CC1)=C(\\C)C(C(O)=NCCOC(C)C)=C(C)C"]
["15394353","COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C(=O)N2CCOCC2)CCOCC1"]
["172663736","CC(C)C#CO[Si-]=[O+]C#CC(C)C"]
["68059238","COCCC(C)N=C(O)C1(C(=N)NO)CCOCC1"]
["112643363","CCC1(CNCc2cc3c(cc2OC)CC(C)O3)CCC1"]
["44262535","COCC(N=C(O)C1(C#N)CCOCC1)C(C)C"]
["107549683","COc1cc(C(C)C)ccc1[C@H]1CN[C@H](C)O1"]
["180110485","C1#CC2=C1CC1=C2C2=C1CC2"]
["179562249","CC1CC2=C(C1)C1=C2CC1"]
["75573802","O=C1C#C[C@H](O)CC1"]
["184383097","C=C1C#CCC1C"]
["91412819","C1=C2CCC=1C2"]
["179013508","C=CC1=CC2=C(CC1)C1=C(CCC=C1)C2"]
["97188352","CCC1[18O]C1C[C@H]1C(=O)CC[C@@H]1CC(=O)OC"]
["96577274","O=C1C2=C3CCc4c(O)c5c(c(O)c4CC2)CCC1=C(CC5)C3=O"]
["179528668","CC1=C2CCC(=C2C)C1"]
["75855711","N=C1CC(O)=C2CCC2=C1O"]
["46704301","C=C1CCC2=C(C(=C)CCC2=C)C1=C"]
["184324335","CCC[C@H]1C2=C(C3=C2CC3)c2c1c1c3c(c2=1)CC3"]
["69665618","CCCCCCCCCCSCC1CCN2CCC(CSCC3CCN4CCC(CSCC5CCN6CCC(COS(C)(=O)=O)[NH+]=C6[NH2+]5)N=C4N3)NC2=[NH+]1"]
["181930038","CCCCCCCCCCC(=O)c1ccc(CN(Cc2ccncc2)C(=O)N2CCOCC2)cc1"]
["182244470","CCCCCCCC(=O)SCCC[Si]1(OCC)OCCC(CCCC)CNO1"]
["76977593","CCCCCCCCCC(=O)OC1C(OC)C(C(OC2OC(C(O)=NC3CCCC(C)N=C3O)=CC(O)C2O)C(=N)O)OC1N1CCC(O)=NC1=O"]
["135179787","CCSCc1cc(C(=O)N2CCCC(c3nncn3C(C)C)C2)no1"]
["121007733","CCCCCCSC1=NC(=O)C2=c3cc(Br)ccc3=NC(c3cccnc3)N2N1"]
["MCULE-5582564234","CCCCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2cc(C)ccc2C)C1=O"]
["177637996","CS(=O)(=O)c1ccc(CN2CCC3(CC2)CC(=O)N2C[C@@H](n4cc(CC5CCCCC5)nn4)C[C@H]2C(=O)N2CCC(CC2)N2CCC[C@H]2C(O)=N3)cc1"]
["12422828","CCCCn1c(CN2CCC([C@@H](O)CC)CC2)c[nH+]c1S(=O)(=O)CCCC(C)C"]
["MCULE-2085269086","CCCCCCCCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1CSCC"]
["82121135","CCCCCCCc1ccccc1NS(=O)(=O)C1CCC2(C=C1C(=O)O)OC(CO)C(CC)(CO)O2"]
["105015461","CCCCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3N=NNN32)cc1OC"]
["78503976","CCN1CCCC12CCC1(CCC3(CCC4(CCC5(CCC6(CCC7(CCC8(CC9(CC%10(CC%11(CC%12(CC%13(CC%14(CCN%14CC)N%13CC)N%12CC)N%11CC)N%10CC)N9CC)N8CC)N7CC)N6CC)N5CC)N4CC)N3CC)N1CC)N2CC"]
["118248750","CCOCCCNC(=NC)NCC1(N2CCCCC2)CCN(C)CC1"]
["171083097","CC.CC.CCCC(C)CN1CCC12CCN(C)CC2"]
["92707402","Cc1ccoc1CN1CCCC1(C)C(=O)O"]
["141772097","CCN(CC)C(=O)CN1CCCC1(C)C"]
["92116786","CCN1CCCC(O)(CCCC(F)(F)F)CC1"]
["197411888","CCN1CCCC(N)(C(O)(CC)CC)C1"]
["98156403","CC.CN1CCCC12CCCN2C"]
["70427711","CCN1CCCC(C)(C(O)=NCCn2cccc2)C1"]
["179772083","CN1CCC2(CCCN2CS(C)(=O)=O)C1"]
["54231682","CCC(C)CN=C(O)N1CCCC(C)(C(=O)O)C1"]
["44641917","CC1(C)CCCN1CC(NC1CC1)C(=O)O"]
["180570507","[O-][C-](c1cccs1)N1CCI(c2ccc(Cl)cc2Cl)C(c2ccc(C3C[I+]3)cc2)C1"]
["42990917","O=[N+]([O-])c1cccc(N2N=C(c3ccccc3)CC2c2ccc(Cl)cc2)c1"]
["15868143","Cc1cc(CS(=O)(=O)C[C@H](O)COc2ccc(Cl)cc2Cl)no1"]
["57310608","COC(=O)Cn1c(=NC(=O)COc2ccc(Cl)cc2Cl)sc2cc3c(cc21)OCO3"]
["MCULE-8595874702","O=C(O)c1cccc(N(C(=O)CCCOc2ccc(Cl)cc2Cl)C2CCCCC2)c1"]
["910812","N=C(Cc1cccs1)NOC(=O)COc1ccc(Cl)cc1Cl"]
["156564074","C[C@H](c1cc(Cl)ccc1Cl)N1CCOCC1"]
["22871877","N#Cc1ccc(OCC(=O)N2CCc3sccc3C2c2cccs2)cc1"]
["29433934","COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O[C@H]1CC[C@@H](N2CC[C@H](O)C2)CC1"]
["MCULE-6333907361","CCCCCCOc1ccc(C2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CCCCCC2)cc1OC"]
["81179467","NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C3CC(c4cccs4)NN3)CC2)cc1"]
["5249580","Cc1cccc(Cn2cc(N=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cn2)c1"]
["48408369","CC1CC(C(C)(C)C)=CC2=C(C(C)(C)C)O[Si](C)(C)OC3C(C(C)(C)C)=CC(C(C)(C)C)=CC3=C21"]
["154810515","CC(C)(C)c1cnc(C2CCCN2Cc2cnn3c2CCCC3)o1"]
["81353333","CC(C)(C)C1=CC2=C3CCC(C(C)(C)C)=CC3=C(C(C)(C)C)OP(OP3OC4C(C(C)(C)C)=CC(C(C)(C)C)=CC4=C4CC=C(C(C)(C)C)CC4C(C(C)(C)C)O3)OC2C(C(C)(C)C)=C1"]
["68200133","CC(C)(C)C1=NC=CNC(C(F)(F)F)=C1"]
["179635069","C[C@H]1C=C(C(F)(F)F)C=C1[C@H]1COC[C@@H]1C"]
["102891787","CC(C)(C)C1=CC(=NC=C2C=CC=CN2)C(=O)C(N=Cc2ccccn2)=C1"]
["33573160","CC(C)(C)C1=CC([Si](C)(C)C2C=CC(C(C)(C)C)=C2)C=C1"]
["170131338","CSC1C=C(C(C)(C)C)C(C)CC1"]
["23287387","CC(C)(C)C1=CC=C(C(=O)[O-])[C@@H](O)[C@H]1O.[K+]"]
["180953223","CC1CC(N=C(O)OC(C)(C)C)=CC(F)=C1Cl"]
["91992258","CNc1cc(N2CCOCC2CO)nc(C(C)(C)C)n1"]
["196544270","C=C[Si]1(C)OCc2cc(CCC[Si](OC)(OC)OC)ccc2O1"]
["69618284","CC1=C=c2oc3cc4[n-][c-]5c(oc4cc3nc2C=C1)=C=C(C)C=C5.[Y].[Y]"]
["37522","CCC(=O)c1ccc2nc(O)oc2c1"]
["107098207","Cc1nc2cc(-c3cc(Cl)c(C(=O)O)cn3)ccc2o1"]
["133747766","CN(C)c1nc2cc(NC(=O)C(=O)NC3CCCC4OCCC34)ccc2o1"]
["33733","Cc1cc(Cl)cc2nc(N3CCN(C)CC3)oc12"]
["106839110","C[C@H](N)[C@@H](O)c1ccc2nc(O)oc2c1"]
["93607568","Cc1cc(C(C)Nc2cc3nc(O)oc3cc2N)c(C)s1"]
["99936940","Cc1nc2cc(I)c(I)c(I)c2o1"]
["139932264","Cc1nc2ccc(NC(=O)C(=O)NCC3(CN(C)C)CCCC3)cc2o1"]
["106835470","Cc1nn(C)cc1[C@@H](C)N=C(O)c1ccc2nc(S)oc2c1"]
["141533542","Cc1ccc(CCNC(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c(C)c1"]
["125996966","Cc1nc2cc(NC(O)=NCC3CCN(Cc4nc(C)c(C)o4)CC3)ccc2o1"]
["176662195","C=C.[B]=C1[C-]=CC2=C(C1)Sc1cccc(Br)c1[B+]C2"]
["162374370","O=C1C=C(c2c(Cl)cccc2Br)CCC1"]
["137195974","O=S(=O)(N=C(O)C1C2C3CCC(C3)C12)c1ccccc1Br"]
["106549564","OC(CCc1ccccc1Br)=N[C@@H](c1ccccc1)c1ccncc1"]
["108541501","Fc1ccc(C[C@@H]2NCCc3c(Cl)cccc32)c(F)c1"]
["94225190","Clc1c(Br)cccc1-c1nnc(Br)s1"]
["151969431","CC[C@@]1(C)Cc2c(Br)cccc21"]
["167083466","N=C(O)N1CCN(c2ncccc2Br)CC1"]
["147235547","Cl.NCC1CN(Cc2ccc(-c3ccccc3Br)cc2)CCO1"]
["114532342","Cc1c(Br)cccc1NC(=NC1CC1)NN"]
["187190099","Brc1ccc(-c2cc(-c3ccccc3)sn2)cc1"]
["156297073","Clc1c(Br)cccc1C1COCCN1"]
["19954816","Cc1[nH+]c(CN(CCC[NH+]2C=C[NH+]=C2)Cc2ccccc2F)c2ccccn12"]
["63427344","CCNC(CCCc1ccccc1C)c1ccccc1"]
["66603545","CCc1ncc(CNCc2ccccc2F)s1"]
["MCULE-2646436788","CC(=O)c1c(C)oc(N=C(O)Cc2ccccc2F)c1C#N"]
["127485147","COCCCN(C)C(=O)c1cnc(Cc2ccccc2F)s1"]
["7218267","O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1"]
["53241568","CN(Cc1ccccc1F)C(=O)C1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1"]
["MCULE-3865881375","COc1ccc(C=C2Oc3c(ccc(OCc4ccccc4F)c3C)C2=O)c(OC)c1"]
["77740506","CC=C(C)C(=O)N1CCc2c(sc(S(=O)(=O)NCCc3ccccc3F)c2C(=O)OC)C1"]
["109736329","CN=C(O)[C@@H]1CCC[C@]12CCN(Cc1ccccc1F)C2"]
["MCULE-5228816917","Cc1ccc(NCc2cc(=O)c(OCCOc3cccc4ccccc34)cn2Cc2ccccc2F)cc1C"]
["138686422","C=CCN(Cc1ccccc1F)C(=O)c1c(OC)cccc1OC"]
["145379987","CCS(C)(#N)N=[N+]=NN=NN=NP[O-]"]
["158127373","CCN=C(O)/C=C\\S(C)(=O)=O"]
["94227211","CCC(Br)CN=C(O)C(C)(C)S(C)(=O)=O"]
["105440186","CCOc1ccc(S(=O)(=O)N=C(O)C[C@H]2CCCO2)cc1"]
["16664890","CCN=C(O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1"]
["182228965","CC(CCCBr)S(=O)(=O)N=[N+]=[N-]"]
["183091063","CCc1cc(C#N)cc(ON=[N+]=[N-])c1"]
["179903290","CCS(C)(=O)=NCN=S(=O)(CC)OCOC"]
["183619171","CCC#COc1ccc(S(=O)(=O)F)cc1"]
["101753094","CC[PH](CC)=NS(=O)(=O)C(F)(F)F"]
["112660428","CCC1CC1N=C(O)Cc1cc(S(=O)(=O)Cl)ccc1OC"]
["126333936","CC1CCCCC1CNC(O)=NCC1CN(S(C)(=O)=O)C1"]
["179382456","CC1C2CC3[I-3]CCC4C5(C)CC1(C)C1(C)CC56C5C7C68C1C2C81C2N6[C@@H]8C[C@]9(C)C61[C@@]1(C5I=I5=IC[C@]39[C@H](C81)[C@@H]5C)C472"]
["180276967","CCCCC12C(CC)C3C4CC5C(CC)C67CC(CC)C8(C)CC(C)(C1C[C@@]3(C)C6(C)C4)C21CC8(CCC57)C1C"]
["149815386","CC1C2CC3C4CC5(C)C6CC7(C)C1(C)C(C)(C26)C45C7(C)C3(C)C"]
["154286058","CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@@H]3[C@]2(C)O)[C@@H]2C[C@@]34O[C@@]5(O)[C@H](OC(C)=O)CC[C@@]3(C)[C@H]5C[C@H](OC(C)=O)[C@@H]4[C@]12O"]
["1201789","CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O"]
["154286057","CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@@H]3[C@]2(C)O)[C@@H]2C[C@@]34O[C@@]5(O)[C@H](OC(C)=O)CC[C@@]3(C)[C@H]5C[C@H](OC(C)=O)[C@@H]4[C@@]12O"]
["175419007","CC.CC1=C2CC3[C@@H](CCC4CC(=O)CCC43C)C2CCC2(C1)CC1C(CC(C)CN1C)O2"]
["188640985","CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@@]34O[C@]5(O)C(C[C@@H](OC(C)=O)[C@H]3[C@@]21O)[C@]4(C)CC[C@@H]5OC(C)=O"]
["56800841","CC(=O)OC1CC2C3(O)OC4(CC5C6CN7CC(C)CCC7C(C)(O)C6C(OC(C)=O)C(OC(C)=O)C5(O)C14)C2(C)CCC3OC(C)=O"]
["97583124","CO[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)C[C@H](O)[C@@]6(O)[C@@H](CN7C[C@@H](C)CC[C@H]7C6(C)O)[C@]5(O)C[C@@]42O[C@]13O"]
["29096464","CC1=C2C[C@H]3C(CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]2CC[C@]2(C1)C[C@H]1[C@@H](C[C@H](C)CN1C)O2"]
["194941298","C=NC1C23C(OC)CCC(C)(CC(=O)Oc4ccccc4N4C(=O)CC(C)C4=O)C2C(OC)C1(O)C1(O)CC(OC)C2CC3C1C2OC"]
["187022615","CC(C)(C)c1c2c(c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C)C13c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%13c%10c7c4-%16)C1(S2)C1C%15C2c4c7c%10c%13c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c%22c%19c%16c%104)C2C%14C%12C%23C%21C%11C9C%20C%18C8C6C%17C%15C5C3C%13C71"]
["187022617","CC(C)c1c(C(C)(C)C)ccc2c1SC13c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%13c%10c7c4-%16)C21C1C%15C2c4c7c%10c%13c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c%22c%19c%16c%104)C2C%14C%12C%23C%21C%11C9C%20C%18C8C6C%17C%15C5C3C%13C71"]
["169214390","CCOC(=O)C1(C#N)C(c2c(F)cc(Br)cc2F)C1(Cl)Cl"]
["187022571","CC(C)(C)c1c2c(c3ccccc3c1C(C)(C)C)SC13c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%13c%10c7c4-%16)C21C1C%15C2c4c7c%10c%13c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c%22c%19c%16c%104)C2C%14C%12C%23C%21C%11C9C%20C%18C8C6C%17C%15C5C3C%13C71"]
["61518341","CC1(C)CC(C)(C)c2cccc(N)c2S1"]
["187022653","CC(C)c1ccc2c(c1C(C)C)SC13c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%13c%10c7c4-%16)C21C1C%15C2c4c7c%10c%13c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c%22c%19c%16c%104)C2C%14C%12C%23C%21C%11C9C%20C%18C8C6C%17C%15C5C3C%13C71"]
["187022665","CCCCC(CC)Cc1cc2c(cc1C(C)C)SC13c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%13c%10c7c4-%16)C21C1C%15C2c4c7c%10c%13c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c%22c%19c%16c%104)C2C%14C%12C%23C%21C%11C9C%20C%18C8C6C%17C%15C5C3C%13C71"]
["187022631","CCCc1cccc2c1C13c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%13c%10c7c4-%16)C1(S2)C1C%15C2c4c7c%10c%13c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c%22c%19c%16c%104)C2C%14C%12C%23C%21C%11C9C%20C%18C8C6C%17C%15C5C3C%13C71"]
["187022663","CC(C)c1cc(C(C)C)c(C(C)C)c2c1SC13c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%13c%10c7c4-%16)C21C1C%15C2c4c7c%10c%13c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c%22c%19c%16c%104)C2C%14C%12C%23C%21C%11C9C%20C%18C8C6C%17C%15C5C3C%13C71"]
["187022654","CCc1ccc2c(c1)C13c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%13c%10c7c4-%16)C1(S2)C1C%15C2c4c7c%10c%13c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c%22c%19c%16c%104)C2C%14C%12C%23C%21C%11C9C%20C%18C8C6C%17C%15C5C3C%13C71"]
["187022614","CC(C)(C)c1ccc2ccc3c(c2c1)SC12c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c%16c%13c%10c7c4-%16)C31C1C%15C3c4c7c%10c%13c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c%22c%19c%16c%104)C3C%14C%12C%23C%21C%11C9C%20C%18C8C6C%17C%15C5C2C%13C71"]
["90634371","CC(C)(C#N)C12c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c(c%15c3c3c%16c%17c%18c%19c%20c%21c%22c%23c%24c%25c%26c%27c%28c%29c(c%17C%17C%18C%21C%23C%26C%28%17)c3c4c%29c6c%27c7c%25c9c%24c%11c%22c%12c%20c%14c%19c%15%16)C1C%13C%10(C(C)(C)C#N)C8C52"]
["96939588","O=C1CC[GeH](O[Ge]2([O+]=[Ge-]O)CCC(=O)O2)O1"]
["194576475","CC(C)(C)OC(O)=NN1CCC(=O)CC1"]
["162190770","COc1ccc(CC#N)c2c1CCC2=O"]
["98911517","CCO.Cc1ccc(C)c2c1CCC2=O"]
["162331894","C=C(C)CC1=C(OC)CCC1=O"]
["82655139","O=C1CCN=C(O)N1C(O)O"]
["76051046","Oc1noc2c1CCPC2"]
["57922488","O=C1CC(O)CO[Ge]2(OCC(O)CC(=O)O2)O1"]
["84171555","CCCCCC1=C(CC(=O)OC)C(=O)CC1"]
["150350301","[C-]#[N+]C1=CCC(=O)CC1"]
["100997281","O=C1CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CO)CO1"]
["120493043","COc1ccc2c(c1)OC(=O)CCC2"]
["180923442","CC1CC=Cc2nc(I3CCCS(=O)(=O)C3)c(OC(C3=CC=CCC=C3)C(F)(F)F)nc21"]
["174294202","CC1(C(=O)O)CC1C1=CC=CCC=C1"]
["44212143","CC(=O)OC1=CC=CC[C@H]1c1nc(=O)n(C(C)=O)[nH]1"]
["95725371","CC(C)c1cc(C(O)=NC2CCCS(=O)(=O)C2)cc(Cl)n1"]
["19215916","C[C@H]([NH+]=C(O)N[C@@H]1C[C@H](C)c2ccccc21)c1nc2ccccc2[nH]1"]
["62263391","C=C(O)CC(O)CC1/C=C/CC(O)[C@H](O)C(=O)/C=C\\CC(C)OC(O)C1"]
["54566264","CCC(CCNC)C1=NC2=CC=CCC2N1"]
["173216113","CC.C[C@@H](CC1=C=CC=C1)C1=CCC=C1.[B]"]
["184484635","CC[C@@H](C=N)CC1=NC=CCC1C"]
["173235549","CC1CC=CC=C1CC[NH+]=C(S)NC(=Nc1ccccc1)c1ccccc1"]
["86499932","Cc1c(N)nc(C(C)(C)C)nc1OCC1CC=CCC1C"]
["160083432","O=S1(=O)CCCC(N=C(O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)C1"]
["178210424","c1cc2[nH]c(-n3ccc4[o+]c(-n5ccc6[s+]cnc-6c5)nc-4c3)nc2cn1"]
["155339943","C[C@@H](c1nc2cnccc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F"]
["114624629","CC(C)N1/C(=C2\\C=C(I)C=CC2=O)Nc2cnccc21"]
["84157959","c1ccc(C2C(c3cccnc3)N2c2ccccc2)cc1"]
["84806209","ClCCc1nc2cnccc2n1Cc1cscn1"]
["8635438","O=S1(=O)CC[C@H]([NH+]=C(O)C2CCN(c3nc4ccccc4[nH]3)CC2)C1"]
["147913556","CC1N(c2nc3ccccc3[nH]2)CCC12CCOCC2"]
["MCULE-9846850359","CCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-c3ccccc3)cc2)C1=O"]
["69884284","[B+]=N[P-]OC(=O)C1=C(Sc2nc3cnccc3s2)C(C)C2C(C(C)O)C(=O)N12"]
["185612808","Fc1cccc(Oc2ncc3ccncc3n2)c1"]
["95984487","CC(C)(C)N=C(O)CN=c1[nH]c(-n2ccnc2)nc(=N)[nH]1"]
["156502164","N[C@@H](c1nc2cnccc2[nH]1)C1CC1"]
["179718294","CCC(C)[C@@]1(C(C)C)CC1C[C@@H]1N[C@H](NN(C)NC[C@H](C)CC)CC[C@@H]1C"]
["184418654","CCC(C)C(CC)C1CC(C)C2C3C(C)CC34C(C)C1C24CC"]
["43474011","CCC(C)CNCC(=N)O"]
["52308909","CCC(CNC(C)C)OC1CCC(C)C(C)C1"]
["100832704","COc1ccc2c(c1)[C@@]1(CCCCNCC(C)C)CCN(CC3CC3)C(C2)[C@@H]1C"]
["84831592","CCNCC(C)S(=O)(=O)N(C)CC1CCCN1CC"]
["93917829","CC(CNC1CC1)CN1CCCC(C)C1=O"]
["169938988","CC(C)NCC1CC2(CCC(N(C)CS)CC2)C1"]
["157247492","CC[C@H](C)[C@]1(O)CCC[C@H]1C"]
["178460456","CCCC1(C(C)CC)CCCC2(CCC(C)CC1(CC)C1CCCC1)CCC(C)C1CCC12"]
["157848278","C[C@H](O)CN(C)[C@@H]1CCC(C)(C)C1"]
["113391375","CC(C)n1c(SCC2(O)CCC(C(=O)O)CC2)n[nH]c1=N"]
["81578582","C1=C2[N-]C(C=c3[n-]c(c4c3-c3cccc5cccc-4c35)=CC3NC(=Cc4[nH]c1c1c4-c4cccc5cccc-1c45)C1=C3c3cccc4cccc1c34)C1=C2c2cccc3cccc1c23.[Pt+2]"]
["172177102","CC1(C)c2ccccc2-c2cc3ccc(-c4ccc(-c5c6c(cc7ccccc57)-c5cccc7cccc-6c57)cc4-c4ccccc4)cc3cc21"]
["101366183","c1ccc(-c2cc(-c3ccc(-c4oc5ccccc5c4-c4ccccc4)cc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1"]
["101955800","c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4cccc5cccc-6c45)cc3)n2)cc1"]
["3285516","O=C1N=C(SCCN2C(=O)c3cccc4cccc(c34)C2=O)N=C2S[C@H]3CCCCC3=C12"]
["100924313","CCCc1c(CCC)c(-c2ccccc2)c2c(c1-c1ccccc1)-c1cccc3cccc-2c13"]
["MCULE-4646773837","Cc1cccc(-c2c[nH]ccc2=NC(=O)C2CC(=O)C2)c1F"]
["189150162","C1=CCC(C2(c3ccccc3)c3ccccc3-c3c2cc2ccccc2c3C2C=C(c3ccc(-c4ccccc4)[nH]3)C=C(c3ccccc3)N2)C=C1"]
["157463460","C[C@H]1NCCN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)[C@H]1C"]
["MCULE-5030553427","COc1c(F)cccc1-c1cccc(C(=O)N=c2cc[nH]cc2C)c1F"]
["183274475","COc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1"]
["91625344","Cc1c(C(=O)O)c(-c2cccc3ccccc23)c(C)c2c1-c1cccc3cccc-2c13"]
["161678595","[CH]1C=CC=[Si]=[As]N1"]
["171313032","B1=CC=CC=[Si]1"]
["161880358","C1=CC=P[Si]=C1"]
["162147300","COC1=CC(=O)C(C)(C)C(=O)N1"]
["161772141","C1=C\\C=C/[Si]=C\\C=C/1"]
["75436471","[CH]1C=CC=C(C2CC2)N1"]
["100265506","[CH]1C=CC=[Si]=CO1"]
["161715248","C1=CC=[Si]C=C1.O"]
["79469640","FC1=CC=C[CH]N1"]
["161794727","C1=CC=S=[Si]=C1"]
["161681412","C1=CC=[Si]CC=C1"]
["145439242","C1=CC=[Si]C=C1.[Mn]"]
["110857192","CC1=C(C)C[Ge-]CC(C)=C(C)C[Ge+]C1"]
["175874090","COC1C(C)=C(C)CC1C"]
["166647685","Cc1nc(C2CCC2)oc1C"]
["53331931","CC1=C(C)CC2(Cl)C(F)(F)C2(Cl)C1"]
["173061928","CC1=C(C)C(C)=C(C)C1.[H-].[Li+]"]
["43702251","[3H]C1([3H])OC(C)=C(C)O1"]
["79855061","CC1=C(C)C([SiH3])=[C-]C1.[Na+]"]
["180636555","CC1=C2C(=C(C)C1)C2C"]
["179276734","CN=C(C1=C(C)CCCC1)S(C)(=O)=O"]
["82572809","CC1=CCN2C(=S)N=NC2=N1"]
["176151169","CCC1=C(C)CC(C)(C)C=C1C"]
["26807028","C=C1CCC(C)=C1Cl"]
["180659618","O[C-]1CCOCI=N1"]
["171970138","[CH2-]C[C-]1CCCCC1.[Y]"]
["180025191","CC(C)[C-]1CCOC1.[Re]"]
["166679584","O=C(O)c1cn(CC2CCOC2)cc(-c2ccc(F)cc2)c1=O"]
["56879420","C1CCOCC1.C1CCOCC1.[Pb]"]
["73489314","C1CCOCC1.C1CCOCC1.CS(=O)(=O)O"]
["178373930","C[C-]1N=I[NH2+]N1"]
["99521303","C1CCOCC1.[Al].[O]"]
["74406415","C1CCC1.C1CO1"]
["157971326","CN(O)c1nc(=N)[nH][nH]1"]
["197633577","O=C(O)c1cn(CC2CCCOC2)nn1"]
["175241304","CN1CCC(N2CI=N[C-]2O)CC1"]
["184106928","C1#[N+]C=CC=CC=C1"]
["179554051","CCNCC1C=C[N+]#CC1"]
["74697103","[C]1=C2C=CC=CN2C=CC=C1"]
["185737727","C1#[N+]C=NCC1"]
["161909748","C1=CC=[Ge]C=C1.N=[S](=O)O"]
["60474397","C1#C/C=C\\C=C/C=C\\C#C/C=C\\1"]
["178265824","BrCC1C#CC=CC=C1"]
["180214550","CNC1C#CC=CC=C1"]
["91201813","C1=C=CC=CC=CC#CC=CC=CC=1"]
["55457533","C1=CC=[N+]C=C1.[Br-].[Br-]"]
["185802649","CC1C#[N+]C=CC1C"]
["97436159","OC1=C=[N+]=CC=C1"]
["164360630","N/C=C1/CC/C(=C/N2CCN(C3COC3)C3CC32)CN1"]
["154869677","O=c1cc2c(nn1C1COCC1NC1Cc3ccccc3C1)CCCC2"]
["91121060","C(=C1N=NN=C1c1ccccc1)N1CCOCC1"]
["196621559","C=C1C(=O)C2CC3COCC(C2)N13"]
["198355390","N/C=C(\\C=NC1CC(CCCN)C1)C1CNc2ccc(NC3COC3)cc2N1"]
["186207019","CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccccc1OCCO)C2.O=CO"]
["199797955","O=CC1Cc2c(F)cnc(-c3ccnn3C3CCCOC3)c2C1"]
["161347030","CC1=NC(C)C(C)=C2CN(C3COC3)CCN12"]
["67479016","CC(C)(C)C1COCCN(C(C)(C)C)C1=O"]
["173804869","N/C=C1/CC/C(=C\\N2CCN3CCCC3C2)CN1"]
["158399750","C[C@@H]1C[C@@H](N2CCC[C@@H]2CN)CO1"]
["171943140","CN1C2COCC1CC(C(=O)c1ccc(-c3ccccn3)cc1)C2"]
["91140488","B1=C2CC=[C-]NB2N[B+]N1"]
["91140471","B1=C2CC=C=C[C-]2N[B+]N1"]
["162115291","N=c1cc(Cl)c(C2CC2)c[nH]1"]
["96723560","NC(=C=CC1=C[CH][C-]=CC1)c1ccccc1"]
["147825940","B1=CCC=[C-]N1"]
["51161634","Cc1cnc(C)c(C#Cc2nc(CC(C)C)cnc2CC(C)C)n1"]
["70062291","CC(C#N)c1ccc(N=C2CC=[C-]N2)cc1.[Y]"]
["172119533","[B+]=C1CCC=[C-]N1"]
["MCULE-5922113421","COc1nccc(C)c1-n1cc2c(n1)CCC2C"]
["91140490","B1=CCC2=[C-]N[B+]NB2N1"]
["97247937","c1ccc(C2=N/CCNCC/N=C\\2c2ccccc2)cc1"]
["120279427","c1cc(CN=C2NCC3(CCCC3)CS2)ncn1"]
["176423020","CC(=[OH+])S1=CCCCC1"]
["58243242","CN1CCCS(=S)N1C"]
["163929582","CCOC(=[OH+])OC"]
["178846471","C/C(CC1CC=N1)=C(/C)C1(C)CCCC1"]
["33457968","CC(C)=C=CC1=CCCCCC1"]
["171676996","CC/C(C)=C(\\C)C(=O)C1=CCCCC1"]
["62923114","CC1=CCCC(C)(C)C1(C)O"]
["48275213","[CH]C(C)C1=CCCCC1"]
["173556821","CC(=O)C1=CCCCC1.CCC"]
["138274622","CCc1ccc(CN=C(O)C(C)=C2CCCC2)s1"]
["98251797","CCC=C(CC)C1=CCCCC1"]
["185105424","O=S1CCCSS1"]
["181054206","C[N+]1(C2(n3cccn3)C(n3ccnc3)([N+]3=CC=NC3)OC([n+]3cc[nH+]cc3)([n+]3ccc[nH+]c3)C([n+]3ccccc3)([n+]3ccccn3)[N+]2(C)[N-][N+]#N)CCCCC1"]
["147315988","CCN(Cc1ccc2ccccc2c1)C(=O)C1(n2cccn2)CCNCC1"]
["170284823","c1cn(C2(CNCc3ccc4[nH]ccc4c3)COC2)cn1"]
["182664646","N#[N+][N-][N+]1(c2[nH+]ccc3ccccc23)CC([n+]2ccccc2)C(c2[nH+]cco2)(c2[nH+]ccs2)C1([n+]1ccccn1)[n+]1cccc2ccccc21"]
["31058657","O=C(O)CCN1CC(CCn2ccnc2)c2cc(OC3CCCCC3)ccc21"]
["106471654","C[C@H](Cn1cccn1)C(=O)N1CCC[C@H](n2ccnc2)C1"]
["81899866","CCCC1(n2ccnc2)COCC(=O)N1CCCCC(=O)O"]
["110477269","CC1(C)[C@@H]2C[C@@H]1/C(=N\\O)[C@@](C)(n1ccnc1)C2"]
["147315692","Cl.OC(=NCCC1CCCCC1)C1(n2cccn2)CCNCC1"]
["176124351","N#CC1(N=C(O)C2CCCCC2)CC1.O=S1CCN(c2ccc(-c3cnn(-c4ccc(-n5cccn5)cc4)c3)cc2)CC1"]
["56143602","Cc1cc2cccc(C(=O)N3CCC(C(=O)O)(n4ccnc4)CC3)c2o1"]
["23095515","COc1c(C)cc(C(=O)C2CCCN(C(=O)C=Cc3cccnc3)C2)cc1C"]
["175903548","O=[p+]1cccccn1"]
["172496877","N=C(O)N(CC(=O)O)c1cccnc1"]
["44190160","Cc1ccccc1.O=S(=O)(O)O.c1ccncc1"]
["34487963","O=[N+]([O-])c1cccnc1[18F]"]
["174728234","O=C(S)CCO.c1ccncc1"]
["163375565","CC(C)(C(=O)O)C(N)c1ccnc(Cl)c1Cl"]
["97367939","O=S(=O)(c1ccccn1)N1CC1c1ccccc1"]
["99434138","O=PO.c1cnnnc1"]
["196362253","O=[P+]1C=CC=CC1c1ccccc1"]
["67353954","N#C[S-].N#C[S-].c1ccccc1"]
["113486772","N=C(O)CNS(=O)(=O)c1cccnc1CN"]
["63548381","O=C(O)Nc1ccnc(C2=Cc3ccccc3CC2)c1"]
["102996975","c1ccc(N=c2[nH]n(-c3ccc(SNc4ccncn4)cc3)cc2N=Nc2ccc(SNc3ncccn3)cc2)cc1"]
["99920168","COc1cnc(/C=C/CN=C(O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)nc1-n1[nH]c(=Nc2ccccc2)[nH]c1=N"]
["55035776","CCOc1ccc(N2C(=O)C[C@@H](SCC(O)=Nc3ccccc3)C2=O)cc1"]
["143439900","CCCC(O)=Nc1cccc(CNC(C)c2ccc(-n3cncn3)cc2)c1"]
["137695030","CC(N=C(O)N(Cc1ccccn1)C1CC1)c1ccc(N2C(O)=NCC2C)cc1"]
["61010009","CC(Sc1nnnn1C1CCCC1)c1nc(=N)[nH]c(=Nc2ccccc2)[nH]1"]
["18451255","CCOCCCN=C(O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1"]
["69736918","COc1cc(O)cc(C=Nc2nc(=Nc3ccccc3)sc(=Nc3ccccc3)[nH]2)c1"]
["1594193","OC(=NCc1ccncn1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1"]
["186648288","N=C(O)c1cncn1-c1ccc(C(=O)N=c2cccn[nH]2)cc1"]
["96796669","Clc1ccc(/N=N/C(=N/N=c2nn[nH]n2-c2ccccc2)c2ccccc2)cc1"]
["3146261","C[C@@H]1O[C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@H](O)[C@H](O)[C@H]1O"]
["188118549","CN(C)[SH](C)N1[SH](C)N[SH](C)N[SH]1C"]
["171145569","Cc1c(Cl)c(=N)[nH]n1C(F)F.Cl"]
["91211895","CC(C)(C)N1C=[N+](C(C)(C)C)CCC1.N#C[S-]"]
["61358369","CN(C)[S+](N(C)C)N(C)C.N#C[S-]"]
["84606081","CC(C)N(C)S(=O)(=O)N1CCNCC1C#N"]
["169974697","CCN1C=[N+](C)CN(CC)C1"]
["111994360","Cc1nc(CNCc2cnn(C(C)(C)C)c2)no1"]
["168870360","C[SH](C)N(SI)[SH](C)C"]
["79329088","C/N=C(\\N(C)C)[N+](C)(C)C.N#C[S-]"]
["175532319","CN(C)N1CCCN1.N=C=N"]
["91552595","C[n+]1ccc(-c2cc[n+](C)cc2)cc1.N#C[S-].[Cl-]"]
["98160718","CN1C=C=[N+](C)N1"]
["172820475","N#CC1(N)CCCC(C#N)(C#N)C1(C#N)C#N"]
["174615509","N#CC1(N=C(O)[C@H]2CCCC(F)(F)C2)CC1"]
["157301745","COCC[C@@]1(C#N)CCCCN1"]
["111988981","N#CC1(C(O)=NCCn2cccc2)CCCC1"]
["188721912","CC1(C#N)CC12CCC2"]
["175451516","N#CS1=S(C#N)CCC1.N#CS1=S(C#N)CCC1.[Pd]"]
["171855008","N#CC1(N)CCCCN1C(=N)O"]
["170554824","N#CC1(N)COC(=O)C(O)C(O)C(=O)O1"]
["166247629","CO/N=C/C(O)=NC1(C#N)CCC1"]
["163167003","N#Cc1ccc2c(c1F)[C@@](N)(CO)CCC2"]
["154127837","N#CC1(C2=C[C@@H](C(F)(F)F)CCC2)CCC1"]
["163357413","CCN1CCCC(N)(C#N)C1=O"]
["180928454","[NH-]C1=I2(CC2)C1"]
["78409980","C1=C2CI12"]
["32674373","C=C1C[Ge]2(CC1=C)CC(C)=C(C)C2"]
["185809545","CC1=I(C)(C)CCN1C"]
["26674688","CC(C)C1=NCC[N]1"]
["91027806","O=C1CCC2(C=C(Cl)C(=O)C(Cl)=C2)O1"]
["185801662","[NH-]C1=CC=CC[CH+]1"]
["180850838","C1CCI2(=[SiH2-]C2)C1"]
["26632881","O=C1CCCSO1"]
["159504392","O=C1CCC(=O)OSO1.[Au]"]
["79092090","[NH-]C1=NCC=C[CH+]1"]
["181857811","[N-]=[N+]=NC1=CCC(CF)(CF)C=C1CF"]
["184619474","FB(F)c1c(F)c2c(c3n[se]nc13)C(F)=C=C1[N-][Se]N=C12.[K+]"]
["177158311","Cc1c(Br)c(-c2c(F)c(F)c(F)c(F)c2F)c(C)c2n[se]nc12"]
["184619460","Fc1c(Br)c2n[se]nc2c2c(F)c(Br)c3n[se]nc3c12"]
["194561935","Cc1nc2c3n[se]nc3c(C)nc2c2n[se]nc12"]
["34674083","Cc1cc(F)c([N+](=O)[O-])c2n[se]nc12"]
["120433411","CC(Nc1cccc2n[se]nc12)c1cn[nH]c1"]
["115319869","CC(Nc1cccc2n[se]nc12)c1cncc(F)c1"]
["170860623","Fc1cc2c(cc(F)c3n[se]nc32)c2n[se]nc12"]
["175894080","c1ccc(C(c2ccccc2)(c2ccccc2)c2c[nH]nc2-c2c3ccccc3c(-c3n[nH]cc3C(c3ccccc3)(c3ccccc3)c3ccccc3)c3n[se]nc23)cc1"]
["76751580","Cc1ccc(C=NN=c2[nH]onc2N)c2n[se]nc12"]
["199384441","Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)c3n[se]nc23)cc1.Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)c3n[se]nc23)cc1.Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)c3n[se]nc23)cc1"]
["177158317","Cc1c(Br)c(Br)c(C)c2n[se]nc12"]
["178126418","C=[N+](C(=O)CC1CCC(S(=O)CC2CC2)CC1)C1CCC(C(=O)N(C2CCOC2)C2CCCCN2)CC1"]
["108180578","O=C(c1ccccc1)c1ccc(OCC[C@H]2CCCCN2)cc1"]
["151196930","C[C@H]1CCC[C@H](CC(=O)N(CCC(=O)O)C2CCOCC2)C1"]
["154848880","CN(C(=O)CC1CCCC1)C1CN(c2cc3c(nn2)CCC3)C1"]
["137600704","CCC(CC)CN(CC)C(=O)CC1CCOCC1"]
["49650937","COC(=O)CN(C)CC1CCOC1"]
["42261261","O=C(O)N(CC1CCCCC1)C1CCNCC1"]
["86078551","CN(CC1CCC1)C(=O)C1CNc2ccccc21"]
["94461045","O=C(CC1CCOC1)c1ccc2c(c1)CCO2"]
["128231525","C#CCN(CCc1ccccc1)C1CCOC1"]
["146234909","CN(Cc1ccc(F)cc1F)C(=O)C1COCCN1.Cl"]
["159332894","O[C@@H]1COC[C@H]1[C@@H]1CCCCN1"]
["96666636","C1=C[GeH]=C[GeH]=C1"]
["172780241","C1=CC=[GeH]C=C1.O=C(O)C(=O)O"]
["170976751","B1=CC=C[CH][N-]1.[Re]"]
["78700522","CC1=CB2C=C(C)C=CN2C=C1"]
["185336186","O=C([O-])C1=C[GeH]=CC=C1"]
["167344002","[C]1=CC=C1.[Cl-].[Hg+]"]
["192186614","C1=CC=[GeH]C=C1.CC(=O)O"]
["178564594","CC1CC=CC=S1C"]
["157658213","O=CC1=CC=[GeH]C=C1"]
["101033718","[BH2-]=C1C=CC=C1"]
["171468933","B1=CC=C[CH][N-]1.[Li+]"]
["195427816","NOC1CC=C=CC1"]
["62828016","[2H][P]B(S)P=[NH+][3H]"]
["78961971","[2H][P]B([3H])[3H]"]
["61096921","[3H][NH+]=PP"]
["83493547","[2H][P]P([3H])B"]
["194145565","N=P.[2H][NH+]=P"]
["194597004","[2H]P=B[3H].[CH3-].[Th]"]
["48811091","Cc1c(C#N)cc(Br)cc1C#N"]
["199161895","[3H][NH+]=PO"]
["65293443","[3H][NH+]=P"]
["78347111","[2H][P]B(S)[PH]([3H])=N"]
["81473232","[NH2+]=PB(P)S"]
["51031425","[2H][NH+]=P"]
["97010391","[N]c1[c+]c(=[N])c(=O)[c+]c1[O]"]
["42066850","C[C@@H]1C/C=C\\C(=O)O[C@@H](C)C[C@@H](O)C(=O)/C=C\\C(=O)O1"]
["99234882","[O]C1=[As+]C(=O)C(O)C1O"]
["188801918","C=C/N=C(C)/N=C\\N(C)C"]
["58457259","N#CC1=NC=CCC1=O"]
["91984445","O=C1C[C@H]2CC(=O)C[C@H](C1)C2"]
["78191755","O=C1CCC(=O)N1[SeH]"]
["75144763","[O]C1=CCC[SH4]C1=O"]
["162520850","CN1CCN(C(C)(C)C#N)CC1=O"]
["126802271","CN1CCN(C(=O)c2cnc3ccccc3n2)C(C)(C)C1=O"]
["23637232","O=C1CC2CC(=O)CC(C1)C2"]
["174975456","N#CCC1CCC(=O)CC1.[BH4-].[Na+]"]
["171813636","[H+].[NH-][CH-]C1CCC(C[B+]C2CCC(F)CC2)CC1"]
["187913850","CCC[N+]1(C)CCC(F)C1"]
["157948473","F[C@H]1CC[C@H](Nc2cc(Br)ccn2)C1"]
["171767059","O=C(C=CC1CCC(F)CC1)C1CCC(OCCCCCCO[Si](Cl)(Cl)Cl)CC1"]
["65236498","CC(N)Cc1cc(F)ccc1N(CC1CC1)C1CC1"]
["178148594","CC1CC=CC[C@@H]1C1CCC(F)CC1"]
["21845963","C[C@@H]1CCCN(c2cc(CNS(C)(=O)=O)cc[nH+]2)C1"]
["142378994","CCC1CCC(CNS(=O)(=O)C2CCOCC2)CC1"]
["171479088","O=C(O)C(O)CC1CC(F)C1"]
["67962552","CN(CC1CC1)S(=O)(=O)c1ccc(F)cc1Br"]
["180354148","O=[N+](CO)C1CCC(F)CC1"]
["108173614","NCC[C@@H]1CC[C@H](F)C1"]
["193293133","[Al+].[CH2]B(C)C.[CH2][Si]1([NH-])C(C)(C)N(B(C)C)C1(C)C"]
["104887336","C=C[C@@]1(C)[C@@H](C(C)C)N1C"]
["78451442","CC1(C)O[B+]OC1(C)C.CC1(C)O[B+]OC1(C)C.[Ac-2]"]
["64519240","CO[Si]12C3CCCC1CC2(C)C3"]
["174137280","C=C=C(C)N1CC(F)(F)C1"]
["178198138","C=C(C)C1=C(CC)N(CC)[C@@H](O)C(C)(C)O1"]
["182770062","CN1C(C)(C)O[C@H](I)[C@]1(C)C1CCCCC1"]
["102867582","CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1C[C@H]4CC[C@H]1C[C@H]43)C2"]
["180141483","C=NCCC1(C)CCCC1"]
["97751751","C/C=C(/C)OB(C1CC2CC(C1C)C2(C)C)C1CC2CC(C1C)C2(C)C"]
["195632128","C=CC1(C)C(N)(N)C1(N)N"]
["172614498","CC=CCN1CCSC1(C)C"]
["102984886","CC(C)(C)N=C(c1ccccc1)N([SiH2])C(C)(C)C.CC(C)(C)N=C(c1ccccc1)N([SiH]=[SiH-]([SiH]=[N+](C(=NC(C)(C)C)c1ccccc1)C(C)(C)C)N(C(=NC(C)(C)C)c1ccccc1)C(C)(C)C)C(C)(C)C.[GeH]"]
["136622782","Cc1ccn(-c2ccccc2N=C(O)c2c[nH]c(C#N)c2)n1"]
["10496599","C[C@H](NN=C(O)c1ccccc1)c1ccccc1"]
["81114278","CCOC(=O)C(=C(O)c1ccccc1)N(C)c1ccccc1"]
["MCULE-6945178295","CC(C)(C)c1cccc(N=C(O)C(CO)N=C(O)C(Cc2ccncc2)c2ccccc2)c1"]
["187116203","CC(C)(C)[Si-](OCC1CC(O)OO1)(c1ccccc1)c1ccccc1"]
["MCULE-4084925908","CC(C)(N=C(O)c1ccccc1N=C(O)c1ccccc1)C(=O)O"]
["148362712","CC(C)(N)C(O)=NC1CCN(c2c(F)cccc2F)C1"]
["33788297","CN(C)/C(=N/c1ncnc2c1CCCC2)c1ccccc1"]
["170835137","O=[N+]([O-])c1cc(C(O)C(O)CN=C(O)OCC2c3ccccc3-c3ccccc32)ccc1C(F)(F)F"]
["104023849","CCOC(=O)c1ccc(NC(=O)[C@H](CCC(=O)O)N=C(O)c2ccccc2)cc1"]
["MCULE-5197146096","OC(CC(N=C(O)C(F)(F)F)c1ccccc1)=NC1(c2ccccc2)CCCC1"]
["96721968","[S-]c1ns[nH+]c1[S-]"]
["78238315","O=C(NO)c1nnc([S-])s1.[K+].[K+]"]
["20264174","O=[N+]1C=NCN=C1O"]
["78152151","OC1SC([S-])=NN1S.[Zr+]"]
["162408225","CCCc1nsc(C2(N)CC2)n1"]
["53673554","S=c1sc([S-])c([S-])s1.S=c1sc([S-])c([S-])s1.[Ni+3]"]
["58631302","Cc1cc(C)nc([S-])n1.[Li+]"]
["185366645","c1c[nH+]sn1"]
["100331777","Cc1nsn(C(C)(C)C)c1=O"]
["93660847","COCc1nsc(I)n1"]
["97527903","N#Cc1c([O-])nsc1[S-].[K+].[K+]"]
["175698659","CC.Cc1[nH]nc([S-])c1C.[Rb+]"]
["60753814","[B]1B2OB3B4B1B3B24"]
["172270496","CC1(C)C=CC(C)(C)OB(B2OC(C)(C)C=CC(C)(C)O2)O1"]
["184757535","CB1[B]B(C)OB(C)O1"]
["61017261","[B]1B2B=BB1B=B2"]
["149587722","PB1OB(P)OB(P)O1"]
["64246736","SB1OB(S)OB(S)O1"]
["171158688","O=C([O-])B1B=B1.[Na+]"]
["43431473","FB1OB(F)OB(F)O1"]
["25562325","ClCCOB1OB(OCCCl)OB(OCCCl)O1"]
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["171936068","Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc2c1oc(=O)c1c(C)cccc12"]
["170787372","CO[C@@H]1[C@@H](OC(O)=NC2CCCC2)[C@@H](O)[C@H](Oc2ccc3c(c2C)OC(O)C(N=C(O)c2ccc(O)c(CC=C(C)C)c2)=C3O)OC1(C)C"]
["45209761","COC1OC(CO)C(C)C(O)C1N=C(O)C[N+]12CCSC13SCCN3C(=O)C2"]
["151432265","CC(O)=N[C@@H]1[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@H]1O"]
["68010976","C=CCO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1N=C(O)[C@@H](F)[C@@H](CCCCCCCCCCC)OC(=O)OCc1ccccc1"]
["34743507","CC(O)=N[C@@H]1[C@H](Oc2ccc3cc(Br)ccc3c2)O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O"]
["163561059","CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C"]
["195073598","C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O)(O)[C@H]2O[C@H](CO)NC)OC=C(C(=O)OC)[C@H]1/C=C\\C1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCO"]
["198623892","C[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2c[nH]c3cc(Br)c(OCC4[C@H]5CCC#CCC[C@@H]45)c(Br)c23)O[C@@H]1CO"]
["68911186","COc1cc(C=O)cc2c1OC1C2C(C(O)=NCCO)=CC(N(C(=O)c2cc3cccc(OC)c3o2)C2CCCCC2)C1O"]
["157297020","CC(O)=N[C@@H]1[C@H](O[C@@H]2O[C@H](C[C@H](O)[C@@H]3O[C@H](n4ccc(O)nc4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@@H]2N=C(O)/C=C\\CCCCCCCCC(C)C)O[C@H](CO)[C@H](O)[C@H]1O"]
["195751361","NC1C2[N-]SNC2C(N)C2NSNC12"]
["162156781","NC1C(O)C2N=C(O)NC(C1O)C2O"]
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["165833019","NC1[C@@H](O)[C@@H]2N=C(O)N[C@@H](C2O)[C@H]1O"]
["97317421","N[C@H]1[C@@H](O)[C@H]2N=C(O)N[C@H](C2O)[C@H]1O"]
["70522225","S=C1CC(S)C2NSNC2C1"]
["162273540","NC1CC(O)C2NCC(O)=NC2C1"]
["81022423","CCSC1NSNC(Cl)C1=O"]
["168341203","NC1=[N+]([O-])NCC2C(O)SNC12"]
["81510280","Cc1ccc(C2C3NSNC3C(C)C3NSNC32)s1"]
["178880301","CC(C)(C)C1CC(C(C2CC(C(C)(C)C)C(O)C(N)C2C(C)(C)C)C(C)(C)C)C(C(C)(C)C)C(N)C1O"]
["165787550","N=C1N[C@@H]2[C@@H](O)[C@H](N1)[C@@H](O)[C@H](N)[C@H]2O"]
["59585608","Sc1ccc([S+](c2ccc(S)cc2)c2ccc(S)cc2)cc1"]
["198235331","CC(=O)C(Cl)c1ccc(S)c(C(F)F)c1"]
["93247097","CC(C)c1n[nH]cc1S"]
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["113917844","CCC1CCC(N(C)C(=O)c2ccc(S)cc2)CC1"]
["113915694","CN1CCC(NC(=O)c2ccc(S)cc2)CC1"]
["48973799","Cc1ccccc1[S+](c1ccccc1)c1ccccc1.[Br-]"]
["97333252","CCCCCCCCCCCCCCCCOc1ccc(S)cc1"]
["55242583","CCN(CC)C(C)Oc1ccc(S)cc1"]
["149582659","CNc1ccc(S)cc1N"]
["175152584","C=C(C)c1cc(S)cc(C(F)(F)F)c1.CC"]
["193050530","C=C(C)C(=O)OCC[N-]CC(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1"]
["173033931","CNNN=P(NNNC)(NNNC)NN[NH2+]C"]
["99717048","CNNN[Si]#I"]
["187308168","CC/C(=N\\NNC)C(C)C"]
["175465053","[CH2-]C(C)(C)NC.[Re]"]
["156370052","C=C/N=C\\ONC"]
["198377497","CC=NNNNC"]
["172975976","CC/C=N/NNNC"]
["27116316","CN=C(NNC)SC"]
["54423012","CNC=C(Br)C(=O)C(F)(F)F"]
["177589841","CNNNC(C)(C)C1CN(C)CC1C"]
["184230389","CNNCC(C)CCNNCN=NNNC"]
["189948544","CC/C(CC(C)=O)=N\\NNC"]
["97663216","ClC12CCCC34CC56CCCC5(C13)C1C6C35CCCC13C2C45"]
["157024589","CO[C@@H]1CCCC[C@@]12C[C@@]2(CN)CO"]
["123181269","OC(=NC1C2CCOC2C12CCC2)c1cc(F)c(F)cc1Cl"]
["167387451","C1CC23C4C2C2C5C6C7C(C4C24CCCC764)C53C1"]
["178234586","CC1CCCC12CC21CCC1"]
["157860360","CC(C)(C)[C@H]1NCC12CCC2"]
["162256433","COC1(Cl)CCCCC1O"]
["110788564","O=C1C=C[C@@H](O)[C@]23CCC[C@]12C3"]
["179276525","C1CC23CC4C[C@]2(C1)C43"]
["34183955","CO[C@]12C[C@@]34CCC[C@]3(C[C@H]1C2(Cl)Cl)C4(Cl)Cl"]
["55470309","CCC1CCC(C2CCCC[C@]23CC2(CCCCC2)C3(Cl)Cl)CC1"]
["180865667","C1CC23CC24C1C34"]
["172049314","CN1CC[Si@@]23O[Si-]4O[Si-](O)O[Si-]O[Si-]O[Si-](O[Si-]1O[Si-]O[Si-]1O[Si-]O[Si-]O[Si-](O)O[Si-](O4)O[Si-](O1)O2)O3"]
["186347614","O=C(O)c1ccoc1CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1"]
["82328313","CC(C)c1coc2ccc(C(O)=NC3CN4CCC3C4)cc12"]
["161082479","CCc1noc2ncc(C(=O)N3CCC4(CC3)CN=C(O)N4C)cc12"]
["200577532","CC[O+]=C(C=C(C)C)N1CCOCC1.F[B-](F)(F)F"]
["54073659","CC(C)c1coc2ccc(C(O)=NC3CN4CC[C@H]3C4)cc12"]
["171525021","CN1CCC(c2c[nH]c3cc(-c4ccc(CO[C@H]5CCC[C@@H]5N=C(O)c5cc(-c6cnn(C)c6)cnc5N)cc4)ccc23)CC1"]
["32821907","CC(C)c1coc2ccc(C(O)=NC3CN4CC[C@@H]3C4)cc12"]
["140500937","Cc1nc(CN2CCC(CN=C(O)c3cnn(CC(C)C)c3C)CC2)oc1C"]
["124029145","CCc1noc2ncc(C(=O)N3CCN(C)C(=O)C3(C)C)cc12"]
["96974566","C[Si](C)(C)[As-][As]([As]([As-][Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["172117083","C[Si](C)(C)[NH-].C[Si](C)(C)[NH-].[Co+2]"]
["79386470","C[Si](C)(C)[Si](C)(C)C.N.[Na+]"]
["102916368","C[Si](C)([Se-])[Si](C)(C)[Se-]"]
["194824681","CC(C)(N=NC(C)(C)C(N)N)C(N)N.Cl"]
["26183021","C[Si](C)(N)[Si](C)(C)N"]
["43200928","CC[Si](C)([O-])[Si](C)([O-])CC"]
["97490801","[BH+]N([Si](C)(C)C)[Si](C)(C)C"]
["158080879","C[Si](C)(C)C#N.[Zn]"]
["33987927","C[Si](C)(C)ON.Cl"]
["174821534","C[Si](C)(C)[NH-].[Mn]"]
["46505901","CC(C)[Si-](=C=N[N+]#[Ge]C([Si](C)(C)C)[Si](C)(C)C)(C(C)C)C(C)C"]
["179565718","CP1(O)(O)OPOP(=O)(O)O1"]
["68351015","O=P1(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1"]
["44746489","CCCN(CCC)CC1(C(=O)O)CCCOC1"]
["96830644","CN(C)C(=O)[C@H]1O[P]2(OCC(CCl)O2)O[C@@H]1C(=O)N(C)C"]
["101696809","COP1(=O)OCC(C)(C(C)=O)O1"]
["199365167","CCN(CC)P1(=O)OP(=O)(O)OP(=O)(O)O1"]
["178504287","O=P1(O)OC2CO[C@H](CO)C2O1"]
["44881636","CP1(=O)OSO1"]
["175539237","C=CC(=O)O.O=P1(O)OCCCO1"]
["187403411","O=C(O)C1C=CC=CC1OP1OP(=O)(O)OP(=O)(O)O1"]
["79064604","CC(=O)C(=[N])C(=[N])C#N"]
["161246552","O=P1(O)ON[C@@H]2CCCCC=C2NPOP(=O)(O)O1"]
["98526379","CC(C)=[O+][B-](C)(C)C.C[O+](C)[B-](C)(C)C"]
["26713926","C[C](O)C(=O)O"]
["169814576","CC(=O)[OH+][B-](F)(F)F"]
["84140391","CC(C)=C=C(C)CCO"]
["196524499","CN[C@@H](C/C=C/C[C@@H](N)C(C)=O)C(C)=O"]
["175266223","[B+]=[O+]CC(=C/C=C)/C(=C\\C)C(O)[C-]=[N-]"]
["145716766","C#CCOc1ccc(N(C)C(C)=O)cc1"]
["90987381","COCC(Br)=C(Cl)C(C)C"]
["150391148","CC(C)=S(C)C"]
["91222695","CC(O)=C=[N+]=[N].[CH3].[Hg]"]
["175212371","CC(=O)O.O.O=C(O)C(=O)O"]
["26710679","CC(=O)C(=[N+]=[N-])C(=O)O"]
["99795256","CC1(C)CC(N)CC(C)(CN=CC=NCC2(C)CC(N=CC=NCC3(C)CC(NN=[N+]=[N-])CC(C)(C)C3)CC(C)(C)C2)C1"]
["109958231","CCCCCCCCCCCC(=O)N(C[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1)C(O)=NC[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1"]
["78312642","CC(C)/C=N/CC1(C)CC(/N=C/C(C)C)CC(C)(C)C1"]
["193502407","C=CC(=O)OCC(C)OC(=O)CCC1(C)CC(N=C(O)OCC(C)OC(O)=NC2CC(C)(C)CC(C)(CN=C(O)OC(C)COC(=O)C=C)C2)CC(C)(C)C1"]
["181489174","COc1ccc2c(c1)N(CCN1CCC(NN=[N+]=[N-])CC1)C(=O)CC2"]
["74237167","C=C(CCOC(O)=NC1CC(C)(C)CC(C)(CN=C=O)C1)C(=O)O"]
["151073742","CC1(C)C[C@H](N=C(O)C(C)(C)F)C[C@](C)(CN=C(O)C(C)(C)F)C1"]
["55435958","CC1(C)CC(N=C=O)CC(C)(CN=C(O)OCCF)C1"]
["169401544","C[C@]1(CCl)C[C@H](N)C1.Cl"]
["185132861","CC1(C)CC(N=[N+]=[N-])CC(C)(C)C1"]
["181499045","COc1cccc(C#CC2(O)CCCC(NN=[N+]=[N-])C2)c1"]
["150590278","C=CC(=O)OCCOC(O)=NC1CC(C)(C)CC(C)(Cn2c(=O)n(CC3(C)CC(N=C(O)OCCC)CC(C)(C)C3)c(=O)n(CC3(C)CC(N=C(O)OCCOC(=O)C=C)CC(C)(C)C3)c2=O)C1"]
["177047501","C[C-]=NC1=[C-]C=CC=CP1C.[Y]"]
["114872980","CC1(N=C(O)c2cc(Br)cc(Br)c2)CCCC1"]
["75838640","FC(F)(F)C1=[C-]C=CC=[C+]1"]
["46900527","C[C-]=Nn1[c-]nc(C)c1.[Y]"]
["175997425","CC.COc1cccc(N=O)c1COC1=[C-]C=C=CC1C.[Y]"]
["173433382","C[C-]=NC1=C=CCC(C)(C)[C-]=C1.[Y]"]
["56627078","CC1=C=C[C-]=C(N([O-])[O-])[CH+]1.[Re].[Rf]"]
["99863415","Brc1ccc(N=NC2=[C-]C=CC[CH+]2)nc1"]
["196016545","[CH-]=C(N=[C-]C)C(C)C.[Y]"]
["93858323","CC1(N=C(O)c2cccc(Br)c2Cl)CCCC1"]
["195949996","CS1(C)(C)=CC=CN=C1"]
["200041757","C[C-]=Nc1[c-]cccc1.[K+]"]
["101291456","O=[N+]1Nc2n[n+](=O)nc3[nH][n+](=O)nc(n23)N1"]
["44250758","NN1C=C2PCN=C2[N+](=O)C1"]
["171486028","CCCC[n+]1nn(C)c(=O)[nH]1"]
["191517979","CCc1cc(C(CCO)c2ccccc2)n[nH]1.O=C=O"]
["179827169","Cc1cnn(Cn2cc(C)n[n+](C)c2=O)c(=O)n1"]
["164730802","COC(=O)c1c(C(Cl)(Cl)C(=O)OC)[nH][n+](=O)n[n+]1[O]"]
["178400798","O=[n+]1nc(O)c(F)c[nH]1"]
["97561168","COC(=O)/C(C(C)=O)=C1\\SN(C)N=C1C(C)(C)C"]
["90599621","N=C1C=CC2N[N+](=O)c3ccnn3C2=C1"]
["153642422","O=[n+]1[nH]c(=NC2CCC2)n(O)c2ccc(F)cc21"]
["96793230","O=[n+]1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1"]
["1776525","Cc1n[n+]2c(Br)c(C)[nH]n2c1Br"]
["168461878","O=[Si]1OCC[NH+]2CCO[Si]3(OCC[NH+](CCO[Si](=O)O3)c3ccc(cc3)[NH+]=NN3C=CC(=CC4C=CC(=[Si](O)O[Si](=O)c5ccc(cc5)Cc5cc[n+](cc5)[N-][N-]c5ccc2cc5)C=C4)C=C3)O1"]
["60680286","O=C1C[C@H]([C@@H]2CCCC=C2N2CCCCC2)C(=O)N1c1ccc([NH+]2CCOCC2)cc1"]
["90289606","CCC(CC)c1cc[n+](C(C)C(=O)[N-]c2ccc([NH+]3CCOCC3)cc2)cc1"]
["174030602","C[C@@H]1CN(CCN(C)C(=O)CCCNc2cccc3c2C(=O)N(C2CCC(O)=NC2=O)C3=O)C(=O)c2cnn3c2NC(=N[C@@H](C)c2cc(F)ccc2O1)C=C3"]
["553182","C1=CN2Cc3ccc(cc3)-c3cccc([nH+]3)-c3ccc(cc3)C[NH+]3C=C/C(=N\\Cc4ccc(cc4)Cc4ccc(cc4)C/N=C\\1c1ccccc12)c1ccccc13"]
["175973584","O=C1OCC[NH+]1c1ccc(CCC2(OP(=O)=O)CC[NH+](c3cc4c(cc3F)c(=O)c([C+]([O-])[O-])cn4C3CC3)CC2)c(F)c1"]
["164218292","C/C=N\\N1C=CC2=NC1C(O)=NCCOc1ncc(F)cc1[C@H]1CCCN21"]
["187150536","[B+]=C1C(=[B+])C(C(=O)O)C(=[B+])C(=[B+])C1=C1C2=C=C3[N-][N-][CH-]C3=CC2N(C)[C-]1C1CCOCC1"]
["187513691","Cc1ccc2cc(C(=O)N3CC4[C@H]5CN(C(=O)c6ccc7nn[nH]c7c6)C[C@H]5C4(O)C3)[nH]c2c1"]
["198657415","C=C1CCC(N2C(=O)c3cccc(NCCCC(=O)N(C)CCN4C[C@@H](C)Oc5ccc(F)cc5[C@H](C)N=C5C=Cn6ncc(c6N5)C4=O)c3C2=O)C(O)=N1"]
["7995386","Cc1ccc[n+]([C@@H](C)C(=O)[N-]c2ccc([NH+]3CCOCC3)cc2)c1"]
["12443813","O=C(C1=CCCC1)N1CCC[C@@H](N2CC[NH+](c3ccc(F)cc3)CC2)C1"]
["174062443","[NH-]C1C(P)CCC2N=C=NN21.[Rb+]"]
["105783721","Nc1cnn([C@H]2CCCC[C@@H]2O)c1"]
["MCULE-8236007557","CC(C)c1nn(C2CC2)c(I)c1C(C)C"]
["158429417","COCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC12CCC2"]
["25131536","C1=NC2CCCC(C2)N=1"]
["100688256","C1=C[N]N(CC2CCC2)C=1"]
["184208832","[NH-]C1C=CN=C=N1"]
["143658909","Cc1nc(COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)sc1C"]
["96152755","N=C(O)C1CCN(c2cc(O)ncn2)CC1"]
["74243602","COC1[C]=NN(C)C1"]
["161279659","CC1CCC2(CC2)C1N1C#C1"]
["147583205","FC(F)C1CCN(c2cc(Cl)ncn2)C1"]
["150298583","Brc1cc2c(c(Br)c1Br)C1=Nc3c4c(Br)c(Br)c(Br)c(Br)c4c(n3Br)NC3=NC(=Nc4[nH]c(c5c(Br)c(Br)c(Br)c(Br)c45)NC2=N1)c1c(Br)c(Br)c(Br)c(Br)c13"]
["27916858","Brc1c(Br)c(Br)c2c([nH]c3ccccc32)c1Br"]
["183257979","Brc1cccc2c1NOC(c1cc3ccccc3[nH]1)O2"]
["62309369","NCCNS(=O)(=O)c1c(S(=O)(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c2c3[nH]c(c12)NC1=NC(=NC2=NC(=Nc4[nH]c(c5ccccc45)N3)c3ccccc32)c2ccccc21"]
["110485049","Fc1c(F)c(F)c2c(c1F)C1=NC2=Nc2[nH]c(c3c(F)c(F)c(F)c(F)c23)Nc2[nH]c(c3c(F)c(F)c(F)c(F)c23)NC2=NC(=N1)c1c(F)c(F)c(F)c(F)c12"]
["198035241","O=C(O)c1cc2c(N3CCn4ncc(Br)c4C3)[nH]cnc-2n1"]
["168299181","c1ccc2c(c1)C1=Nc3[nH]c(c4c(N5CCCCC5)c(N5CCCCC5)c(N5CCCCC5)c(N5CCCCC5)c34)NC3=NC(=Nc4[nH]c(c5ccccc45)NC2=N1)c1ccccc13"]
["171323252","CC(C)OC(=O)c1cc(-c2ncnc(C(F)F)c2Br)c(F)cc1Cl"]
["SN0427864-01","C/C=C(\\C)C(=O)OC1Cc2c3c(c4oc(CO)cc(=O)c4c2O)Cc2cc[nH]c(=N)c2C2=CCC4=C2C(Cc2c[nH]c(=N)cc2C4)C1(C)O3"]
["153613685","C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)Cc2cc[nH]c(=N)c2C2=CCC4=C2[C@H](Cc2c[nH]c(=N)cc2C4)[C@]1(C)O3"]
["168305265","O=S(O)c1cccc2c3[nH]c(c12)N=C1N=C(Nc2[nH]c(c4ccccc24)N=C2N=C(N3)c3ccccc32)c2ccccc21"]
["170665380","Brc1cc2c(c(Br)c1Br)-c1nc3nc(nc4[n-]c([n-]c5nc(nc-2n1)-c1c-5cc(Br)c(Br)c1Br)c1c(Br)c(Br)c(Br)cc41)-c1c-3cc(Br)c(Br)c1Br.[Cu+2]"]
["176085887","[nH]1o[nH]n(-n2[nH]o[nH]o2)o1"]
["91511440","CB1OC(=S)N(C)N1C"]
["157740070","[nH]1o[nH]oo1"]
["195856822","C[NH+]([NH-])n1[nH]o1"]
["184009952","[nH]1[nH][nH][nH]o[nH][nH]1"]
["178036429","Cn1[nH]o1"]
["172795158","CC(C)(C)n1oon(C(C)(C)C)o1"]
["181953362","Brc1c[nH]o[nH]o1"]
["172122597","Pn1[nH]o1"]
["181608319","c1no[nH]o[nH]1"]
["185132431","CC(=O)n1[nH]o1"]
["182022651","[N-]=[N+]=Nn1[nH]o[nH]o1"]
["180528195","NC1=C(I)C2=C([CH-][CH-]1)C[I+]C2"]
["170846636","NC1=C(I)C(I)=C(I)CN1"]
["195657861","N=C1C(I)=C(C(=O)C(=O)C2=C(I)C(=N)C(I)C(N)=C2I)C(I)=C(N)C1I"]
["171914705","N#CC1=C(N)N=C=C(I)[N-]1.[W]"]
["34398889","N=C1C=C(N)CCC1"]
["173158595","[B+]=C1[CH-][CH-]C(N)=C(N)C1=[B+]"]
["178660862","NC1=C(I)C(=[Ge-])C=C[CH+]1"]
["97829213","CCOP(=O)(CC1=C(I)C(=O)CC(C)C1)OCC"]
["179739993","C/C=C/C(CF)C1[I+]C(N)=CCC1I"]
["23572279","Nc1c(Br)c(I)c(Br)c(I)c1Br"]
["62534419","NC1=CC=C(I)CC1"]
["184159913","C=C1NC(I)=C(N)C(I)=C1N"]
["33206942","S=C=N[14c]1[14cH][14cH][14c](Cl)[14cH][14cH]1"]
["26219446","CC([Si](C)(C)N=C=S)[Si](C)(C)N=C=S"]
["161832369","C[As](C)N=C=S"]
["32658233","N=C(N)N/N=C(\\c1ccccc1)[14c]1[14cH][14c](Cl)[14cH][14cH][14c]1N"]
["75422915","Cc1sc(F)c(N=C=S)c1Cl"]
["79801869","O=[PH2]N=C=S.[N]"]
["55021777","C=C=C(C)N=C=S"]
["192714471","Br.CCC(N=C=S)N(CC)CC"]
["5369702","S=C=Nc1ccc(Br)c(Cl)c1Cl"]
["56705355","CSN=C=S"]
["175725218","CC1=[C-]C[C-]=C(N=C=S)[N-]1.[U+2]"]
["51166491","Cl[14c]1[14cH][14cH][14c](-[n+]2c(-c3ccccc3)n[14c]3[14cH][14cH][14c](Cl)[14cH][14c]3c2-c2ccccc2)[14cH][14cH]1"]
["99617697","O=S(=O)=CCCC[Si][O+]=[Si-]"]
["182206490","[N-]=[N+]=NOCCC=S(=O)=O"]
["185592485","O=S(=O)=CCOS(=O)(=O)[O-]"]
["181540168","O=S(OCCCO)OCCCBr"]
["99380250","O=S(=O)=CCO/C=C/O/C=C/OCC=S(=O)=O"]
["99323453","NNCCC[Si][O+]=[Si-]"]
["164299119","[Si-]=[O+][Si]CI"]
["74716811","CCNc1c(O)c(CCC=S(=O)=O)cc2c(=O)cc3oc4ccccc4nc-3c12"]
["171324353","[CH-]=CC=CC#[Si][O+]=[Si][O+]=[Si-].[Tl]"]
["99463566","C=C(C)C(=O)OC(O)C[Si][O+]=[Si-]"]
["99482598","CCO[Si](CC[Si][O+]=[Si-])(OCC)OCC"]
["167373613","O=[C-][O+]=[Si-].[Y]"]
["173664906","C=BN[B]N=C"]
["50685132","C=N[C-]=[N+]=C"]
["78352075","C=NN/C=C(\\C)O"]
["79728508","C=NN(C)C(=N)NN"]
["174641596","C=NO.CCNCC"]
["184014257","[N-]=[N+]=NNN(N)NN"]
["182199452","C=N[C-]=O.[Fe]"]
["195291156","C=NNN(NC)C(C)(C)C(C)C"]
["32155568","C=NNC(C)(C)C"]
["192661015","C.C#N.C=NNN=N"]
["78430513","C=NN/C=C(\\C)Br"]
["174441722","C=C.C=N/C(=C\\C)NC"]
["195496618","C1#CC2C=[C-][N-][N+]3=INOC([C-]=C1)C23"]
["195679588","CC(C)N1I=NC2=CCN=C(Cl)NC21"]
["65723810","CC(C1OC(c2ccccc2)(c2ccccc2)OC1C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1"]
["101602074","CN=C1N[C@@]2(c3nc(N)cs3)CO[C@@H](C)C[C@H]2CS1"]
["175100190","C.[NH-]C1C=[C-][N+]2=C(C=C=[NH+]2)[N-]1.[Re]"]
["194636105","FC(F)(F)CC1=CC#CC(c2ccccn2)C1"]
["173996360","N=C1NN=CC2OC2N1"]
["178508777","C[Br+]CC(Br)C1[C-]=CC=I[N-]1"]
["174429205","CC.CC1=C=[N+]2[N-][C-]=CC2C(=O)N1C.[Y]"]
["174429191","CC1=C=[N+]2[N-][C-]=CC2C(=O)N1C.[Y]"]
["180209870","[B+]CC([B+])C1C#CC(N2[C-]=C2)=[C-]C1"]
["174151680","FC(F)C1(P)C2C=[C-]C(C2)C1(F)P.[Y]"]
["180000106","[CH2-]CO[CH-]O[CH-]CO[C-]=O.[U+2].[U+2]"]
["172723595","[CH2-]C(=O)COCC.[CH2-]COCC(C)=O.[Ti+2]"]
["50157984","O=[C-]OCc1ccccc1.[Na+]"]
["61194989","CCO[C-]=O.[Y].[Y]"]
["180910222","[CH2-][C@@H](C)O[C-]=O.[U+2]"]
["179500829","[CH2-]C(CC)O[C-]=O.[U+2]"]
["184610796","[CH2-]CN(C=O)C[CH2-].[U+2]"]
["178617741","O=[C-]OCCC1CCC(/C(=C\\C2CCCCC2)C2CCCCC2)CC1.[CH-]=C.[Ce]"]
["171063952","CCCC(CC)C(=O)OCO[C-]=O.[K+]"]
["180670808","O=[C-]c1ccccc1.[CH2-]COc1cccc(C=O)c1.[U+2]"]
["66817791","CC(=O)CCO[C-]=O.[Na+]"]
["178585370","[CH2-]CC([C-]=O)OC(=N)C1(CC)CC1.[U+2]"]
["178428401","C=[N+](Cc1cccc2occc12)C1=NC=C(c2cccnc2)C2=NN=CI21"]
["158465690","CC1(C)CCC[C@@H](CC(=O)N2CCn3c(nnc3-c3cccnc3)C2)C1"]
["85946799","CCC1(CC)CN(c2cccc3ccncc23)CCN1"]
["77333447","O=C(C1CC(c2ccccc2Cl)NN1)N1N=C(c2cccnc2)CC1c1ccccc1O"]
["176206133","CC/C=C\\C(=C/CCC)c1nc(C2=CN(C)CC=C2)nc(-c2cccnc2)n1"]
["82691971","CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(O)=NC(=O)C(O)C(O)CO)cc1"]
["136055409","CCn1cc(NC(=O)C(=O)NC(c2ccccc2)c2cccnc2)ccc1=O"]
["8103348","N#C[C@@H]1C(=S)N=C2CCCCC2=C1c1cccnc1"]
["68169750","C/C(=N/N=C(O)COc1ccccc1Cc1ccccc1)c1cccnc1"]
["MCULE-6724810484","OC(CSc1ccc(-c2cccnc2)cc1)=Nc1nccnn1"]
["MCULE-8391888589","OC(=NCC1CN(Cc2ccc(F)cc2)CCO1)c1ccc(F)c(F)c1-c1cccnc1"]
["107319979","COc1ccc(CN=C(O)c2cc(-c3cccnc3)n3c2CSC3)cc1"]
["161740197","O=[As+]1OCO[As]([O-])O1"]
["43798655","C[As]1OCO1"]
["83994704","Cl[As]1OCC=CCO1"]
["55950316","CC(C)C(=O)C1CC1C(=O)C(C)C"]
["173574511","CB=c1ccc(=C[O])o1"]
["180622770","O=C(O[O-])OC1COCOC1"]
["180860092","CB=c1ccc(=C[O])o1.[U]"]
["157904736","O=C1OCC[C@H]1N=C(O)C1CCC1"]
["183383317","N=C1CONN=C1C(=O)[O-]"]
["161691841","CC[As]1OCC2(CO1)CO[As](CC)OC2"]
["185362066","O=P1([O-])OCOO1"]
["170029240","[O-][As]1O[As]([O-])O[As]([O-])O1"]
["171902352","[In].[O-]C=C=CC=C=[N+]1C=CN=C1"]
["172240479","C/C=C/CC=C=CCCC"]
["177119404","N#CC(C#N)(C#N)CC=CCC(C#N)(C#N)C#N"]
["74397658","CC=C=CN1C(O)=NC=C[C@]1(N)O"]
["174963816","CC=[N+]1C=CN=C1.[Cl-]"]
["145215505","C[n+]1ccn(C/C=C/[O-])c1.N#CS"]
["66663561","CC(C)C1C=NC=C[N+]1=O"]
["79483675","O=C=CC=C1C=C[N]C=C1"]
["81960863","O=C1N=C2C=C([N+](=O)[O-])C(=[N+]3C=CN=C3)C=C2N(C2CCNC2)C1=O"]
["99498243","Clc1ccc2c(c1)=NC(=[As-])C(=[N+]1C=CN=C1)N=2"]
["46050852","[O-][N+]1=S=NC=C1"]
["179004293","O=[N+]1C=CN=CC1C1C=NC=C[N+]1=O"]
["154717688","O=N[C@H]1CP=C[C@@H](N=O)C1"]
["179114044","CC1C(N=O)C[C@@H](O)C1C"]
["179042858","O=NC1CN(C(=O)C(C(=O)N2CC(O)C2)C2(Cc3ccccc3)C3CC4CCCC(C4)CC32)C1"]
["25490804","Cc1ccc2c(n1)CCCC2N=O"]
["195847181","O=CC1(C=O)CCC(N=O)C1"]
["163475407","C=C/C1=C/C(N=O)CCC(C)C(C)C1S"]
["179051156","O=NC1C=NC=CC1Cl"]
["195612077","ClC1C=PCC1"]
["180195233","O=NC1CCC(C2CCC2)CC1"]
["97850112","O=NN1CCN=C1c1ccccc1"]
["169934890","CS(=O)C1C=NCC(CO)C1"]
["184322835","O=N[C@H]1CCC(CCC2CCC2)C1"]
["184253557","ClC1CC2SN(C3CSC4CC(C5C[I-]C5)C(Cl)C(Cl)C4S3)SC2C(Cl)C1Cl"]
["196538390","N#CNC[C@H]1CCCN1C(=O)C1CSC(C2CCC(Cl)CC2Cl)N1"]
["91330814","OC1C(Cl)C(Cl)CC(Cl)C1Cl"]
["196484884","CC1CC2C(C)C3CC(C4CC5C(C)C6CC(C7CC8C(C)C9CC(C%10CC%11C(C)C%12CC(C)SC%12C%11S%10)SC9C8S7)SC6C5S4)SC3C2S1"]
["162331782","ClC1=CC2C3C=CC(C3)C2CC1Cl"]
["146083794","NC1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)CC1"]
["162965885","Cl[C@@H]1C[C@H]2C3[C@H]2C=C[C@@H]31"]
["91210553","C1=CC2CC1C1CC3SC3C21"]
["55652724","FC(F)(F)C1[CH]CC(Cl)C(Cl)C(Cl)C1"]
["162041248","ClC1C2CC2C2SC12"]
["55314196","ClC1CC2OC2CC1C1C(Cl)CC2OC2C1Cl"]
["149828356","ClC1CC2SSC3CC(Cl)C4C5C(Cl)CC6SSC7CC(Cl)C(C1C4C23)C5C76"]
["175593927","Nn1p(N)n[p+](N)n(N)p1N"]
["51042516","Nc1ncn2c1ncn2N"]
["185795217","N[p+]1n[p+](N)n[p+](N)n1"]
["79122110","Nn1pn[pH]n(N)p1N"]
["62576635","Cc1nc(C(C)C)n(C(C)C)c1N"]
["64624413","CC1N(C)N=NN1N.I"]
["168409293","CCCOn1p(N)n(N)p(N)n[p+]1N"]
["79941029","C[SiH2]c1ncn(C)n1"]
["90954684","CSC1N(N)C=NN1C"]
["174476012","NN1N=CC=NN1N"]
["73612479","CCCOn1p[n+](N)p(N)n(N)p1N"]
["197562894","Nc1cn(Cc2cccc(F)c2Br)cn1"]
["172375636","[Si+]#[Si][SiH+]CC[SiH-][Si]#[Si-]"]
["90982622","[Si+]#[Si]P[Si]#[Si-]"]
["168576604","CCC(C)(C)N([Si]#[Si+])[Si]#[Si-]"]
["90982765","[Si+]#[Si][Si](P)[Si]#[Si-]"]
["90996893","[Si+]#[Si]CC[Si]#[Si-]"]
["43857984","CCCC.[Si+]#[Si][Si]#[Si-]"]
["171090051","[Si+]#[Si][Si](CCl)=c1ccc(=[Si](CCl)[Si]#[Si-])s1"]
["168475081","[CH2-]C[Si]#[Si+]"]
["172172137","NCCCCC([Si]#[Si+])[Si]#[Si-]"]
["172172142","NCC([Si]#[Si+])[Si]#[Si-]"]
["172604088","[O-]C([Si][Si]#[Si+])=[Si+][Si]#[Si-]"]
["172172147","NCCC([Si]#[Si+])[Si]#[Si-]"]
["67601445","C=COP1NPNPN1"]
["166765280","C=CON=C=CN"]
["78365275","C=COC=C.[C].[C]"]
["99476117","C=CO[Si](C)OC=C"]
["107855899","C=C[C@@H]1NCCc2cccc(OC)c21"]
["78160981","C=CCC(CN)(CC=C)OC(CN)(CC=C)CC=C"]
["174676620","C=CC(=O)O.C=CCl.C=COC=C"]
["174872875","C=CC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F"]
["101450355","C=COC(F)(F)OC"]
["64603363","C=COC(C)Br"]
["67349017","C=COP(=S)(Cl)Cl"]
["162062341","C=CO[Si](C)(CCl)CCl"]
["180448916","[B+]=c1ccc2c(c1)-c1cc([S-])ccc1[N+]=2C1C=CC(=C=[N-])C=C1"]
["174063684","[B+]=c1ccc2c(c1)[N-][CH-][N+]=2C"]
["97041270","C[n+]1ccccc1C1C(=O)c2ccccc2C1=O"]
["172035658","Cc1cc(C2=C=CC(=C=[N-])C=C2)ncc1[Si](C)(C)C.[Ir]"]
["200176696","[B+]=c1ccc2c(c1)C(O[C@H]1CC1F)=NN(CC(O)=Nc1ncc(F)cn1)C=2[O-]"]
["99576736","[B+]=c1ccc2c(c1)C(C(C(=O)OC)c1ccc([N+](=O)[O-])cc1C)C[N+]=2[c-]1ccc(=[N+]([O-])[O-])cc1C"]
["89148386","O=C1C=CC(c2ccc(Cl)c(Cl)c2)O1"]
["176379348","CC.CC.[B+]=c1ccc2c(c1)C(C)=C[N-]C=2"]
["63168083","CC1(C)C2=CC(=O)C(=C3Nc4ccc(F)cc4S3)C=C2c2ccccc21"]
["200329011","[B+]=c1ccc2c(c1)[N+](CC(C(F)(F)F)C(F)(F)F)=CC=2CCNS([O-])([O-])C(C)C"]
["190410577","O=C1C=Cc2cc3ccccc3cc2C1=O.[N]N=[N-].[N]N=[N-]"]
["100856127","[N-]=C=C1C=CC(Cl)C=C1"]
["83221996","[C]1=C=C=C=C1CNc1nc[nH]c2ncnc1-2.[C]1=C=CC#C1.[Fe]"]
["175792000","C=C/C=C(\\C=C/C)N(c1ccccc1)n1c(CNc2nc[nH]c3ncnc2-3)nc2cccc(F)c2c1=O.CC"]
["145162482","COc1ccc2c(c1)OC1(O)COc3cc(OC)c(OC)cc3C1=C2.Nc1nc[nH]c2ncnc1-2"]
["170782954","CNc1nc[nH]c2ncnc1-2.Cc1cnc(S)nc1O"]
["31299490","CSCCNc1nc2c(Cl)cccc2cc1C(C)Nc1ncnc2[nH]cnc12"]
["180795866","Cc1cccc(C)c1N(CO)/C(=C\\C=C\\C=C/C(C)C)CNc1nc[nH]c2ncnc1-2"]
["64639580","Cc1nc[nH]c1CNCC(C1CC1)C1CC1"]
["CSSS06978782013","CC(C#N)C1CCN(c2nc(NCc3ccccc3)c3ncnc-3[nH]2)CC1"]
["190668025","Fc1ccc(Cl)c(-c2nc3c(Cl)cccc3cc2CNc2nc[nH]c3ncnc2-3)c1.NCc1cc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl"]
["61510792","N=C(O)C1=CNC=CC1.Nc1nc[nH]c2ncnc1-2"]
["94388265","CCCc1c(N)nc[nH]c1=NCC(O)=NCC(C)C"]
["964939","COc1ccc(CNc2[nH]cnc3c4ccccc4nc2-3)cc1"]
["168446698","SCCC[Si]12C[Si]3O[Si-]4C[Si](=[O+][Si]5=[O+][Si-](C[Si-](O3)[O+]=[Si](C5)O1)O4)O2"]
["181081858","CCCCC1CCO[Si](C)(CCCS)ONC1"]
["171070234","C[Si]1O[Si-](C)[O+]=[Si](C)O[Si](C)(CCCS)O1"]
["168446697","NCCC[Si]12C[Si-]3O[Si]4=[O+][Si-]5C[Si-](O3)[O+]=[Si](C[Si](=[O+]5)O[Si](CCN)(C4)O1)O2"]
["168471244","C1[Si]2=[O+][Si-]3C[Si-]4O[Si-]5C[Si-](O[Si]1=[O+]4)[O+]=[Si](C[Si](=[O+]5)O3)O2"]
["65585181","CC1O[Si](C)(CCCS)OC1C"]
["97837284","SCCC[Si]12C[SiH]3O[SiH]4C[SiH](O[SiH]5C[SiH](O[SiH](C[SiH](O4)O5)O3)O1)O2"]
["170627236","O[Si-]=[O+][Si-]1O[Si]2(CCCS)O[Si](O[Si-](O)[O+]=[Si]3O[Si]4=[O+][Si-]([O+]=[Si-]O)O[Si](CCCS)(O3)O4)O[Si](=[O+]1)O2"]
["196543759","C[Si]1(CCCS)OCc2cc([Si](Cl)(Cl)Cl)ccc2O1"]
["196544411","CO[Si](OC)(OC)c1ccc2c(c1)CO[Si](C)(CCCS)O2"]
["78674778","CO[Si]1(CCCS)OCC(C)O1"]
["183286299","CCCCC1CCO[Si](CC)(CCCS)ONC1"]
["150242348","CCNCCCCNCC1CCC1C(NCCCCNCC)C1CC(CNCCCN)C1C(NCCCN)C1CC(CNCCCNCC)C1CNCCCNCC"]
["91661930","Cl.NCCCNCCCC(NCCCN)C(=O)O"]
["113111772","CCNCCCS(=O)(=O)NC(C)c1cn[nH]c1"]
["96202368","CCNC(c1c(F)cc(Br)cc1F)C1CCCC(CC)C1"]
["177955018","Br.C=CCC(CC=C)CCCCCNCC"]
["94679880","CC1CCC(C(NN)C2C3CCCC32)CC1C"]
["46245678","CCC(CC)N(CCNCC1CC1)CCOC"]
["184875424","CCCCNCCNCc1ccc(C[N+]2(CCN)CCCC2)cc1"]
["86539303","CCC(CC)C1CCCC1CNCC(C)C"]
["107083127","CC(C)CN1CC[C@@H](CNCCCCCO)C1"]
["172848134","CCCCN(CCCC)C1CCCCC1C(CCC)(NCCCCCCN)C1CCCCC1N(CCCC)CCCC"]
["55805565","CCNCCCCc1ccc(OC)c(C)c1"]
["182899139","[N-]=[N+]=NC(=O)c1cnc2sc3c(c2n1)=CCSC=3"]
["183032033","CC(O[Si](C)(C)C(C)(C)C)c1ncc(Cn2ncc(N=[N+]=[N-])n2)o1"]
["180975379","CCc1cnc2c(S(=O)(=O)N=[N+]=[N-])cccc2c1"]
["185098299","COc1c(N=[N+]=[N-])cc(Br)nc1C(=O)[O-]"]
["164193732","Cc1nc(C)c(-c2csc(N=C(O)C3(CC(=O)O)CCC3)n2)s1"]
["181626542","[N-]=[N+]=Nc1cnc(C(=O)N2CCOCC2)nc1-c1ccccc1"]
["185041059","N=C(O)C1=C2SCC=C2C=NC=N1"]
["10785980","COC(=O)c1ccccc1N=C(O)[C@H]1CCCN(c2nc3cccnc3s2)C1"]
["126285999","COC(CNC(=O)c1ccnc(C)n1)C(C)(C)C"]
["184351724","Cc1nc(CCC2CC(c3ccccc3)C2)c(C)c(C(=O)O)n1"]
["148314931","CC(C)c1ncc(C(O)=NC2CC(N(CC(=O)O)CC3CC3)C2)s1"]
["181979794","N#Cc1sc(N=CO)nc1N=[N+]=[N-]"]
["173829254","Cc1cc2c(c3c1B=c1ccccc1=3)=c1cc3c(cc1=B2)-c1c2c(c(C)cc1=B3)=Bc1ccccc1-2"]
["107609692","Cc1ccc2c(c1C)-c1ccccc1[C@@H]2CCN"]
["174444840","Cc1ccccc1C1=c2ccc3c(c2CC(Cc2ccccc2)C1)CC=c1ccccc1=3"]
["196612487","Cc1cccc(-c2cc(Cl)cc(Br)c2)c1C"]
["MCULE-9422089292","COc1cc(C)c(-c2ccccc2N=C(O)c2cc(C)ccc2F)c(C)c1"]
["MCULE-9372470715","COc1cc(F)c(-c2c(C)cccc2N=C(O)C2CC(=O)c3ccccc32)c(F)c1"]
["174824946","Cc1ccccc1-c1ccccc1N.OO"]
["MCULE-9315462622","CCCOc1cccc(-c2c(C)cc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2C)c1"]
["185856874","COc1cc(C)c(C2C(=O)c3ccccc3C2=O)c(C)c1"]
["173829208","B1=c2ccc3c(c2-c2ccccc21)-c1c(ccc2ccccc12)B=3"]
["172641696","NS(=O)(=O)OCC1=C(c2ccccc2I)OC(c2ccccc2)O1"]
["187458422","C1=c2ccccc2=C(c2ccc(-c3c4ccccc4c(-c4cccc5c4sc4ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc45)c4ccccc34)cc2)CC1"]
["145370150","COC1=C[C@@H](CO[C@@H]2C=C(CCl)C[C@H](CCl)C2)C[C@@H](CO[C@H]2CC(CCl)=C[C@@H](CCl)C2)C1"]
["88767365","COc1ccc(CC2=CCC(N)CC2)cc1Br"]
["29530701","COC1=CC(COc2ncc(F)c(NS(N)(=O)=O)n2)=C[C@H](C)C1"]
["139625818","COc1ccc(Br)c(S(=O)(=O)N=C(O)CC2CCC2)c1"]
["19006521","COc1ccc(CC[NH+](CC2CC[NH+](C)CC2)C[C@H]2[NH+]=c3ccccc3=C2C)cc1"]
["MCULE-6775997277","COc1ncc(-n2cc(CCl)c(C3CC3)n2)cc1F"]
["153583646","CCOc1ccc(CCN=C(O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)ccc2OC)cc1"]
["94325226","CCOC1C(N)CC1OCc1cccc(OC)c1"]
["153178055","CCN(CC)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21"]
["45041633","CC1=CC2=C3CC(Br)C=C4NCC(=C43)CC2C(CC2CC2)N1"]
["48105750","COCOCC1CC(=O)C=C(O)C1"]
["88363858","COc1cc(NC2CCC(N)C2)ccc1Br"]
["175364394","[B+]=C1C(=[B+])C(=S=S=c2c(=[B+])c(=[B+])c(=[B+])[c-](-n3[cH-][n-][c-](C)[n-]3)c2=[B+])C(=[B+])C(=[N+]2[CH-][N-][CH-][N-]2)C1=[B+]"]
["175773311","[B+]=c1c(=[B+])c(=[B+])n2[c-](C)[cH-][n-][c-]2c1=[B+]"]
["174368217","[B+]=c1c(=S([O-])([O-])=c2c(=[B+])c(=[B+])[c-](-[n+]3c([O-])c4cc5c([O-])n(C(C)(C)C)c([O-])c5cc4[c-]3[O-])c(=[B+])c2=[B+])c(=[B+])c(=[B+])[c-](NC(C)(C)C)c1=[B+]"]
["173873510","[B+]C([B+])(F)C([B+])([B+])C([B+])([B+])O[C-]1[CH-][CH-]C(=S=C2CC[C-](C)[C-]=C2N)C(=CN(C)C)[CH-]1"]
["176501762","[B+]=C1C(=[B+])C(N)=C2C([O-])=[N+](C3(C)CCC(O)=NC3=O)[C-](C)[N-][C-]2C1=[B+]"]
["175376543","[B+]=C1C(=[B+])C(=S=S=c2c(=[B+])c(=[B+])c(=[B+])[c-](N3C[N-][C-]([S-])[N-]3)c2=[B+])C(=[B+])C(=[N+]2[CH-][N-][CH-][N-]2)C1=[B+]"]
["175635425","[B+]=c1c(=[B+])c(=[B+])[c-]2[n-]c(C(C)(C)O)c(N)[cH-][c-]2c1=[B+]"]
["28957861","CC(C(=O)O)C1CCC2(CC1)CCN(C(=O)c1ccc(CN)cc1)CC2"]
["175773349","[B+]=c1c(=[B+])c(=[B+])n2[c-](C(O)=NC)[cH-][n-][c-]2c1=[B+]"]
["198604563","[B+]=C1C(=[B+])C(=[B+])[C-]2C(=[b-]3c4c(c(=[B+])c(=[B+])c(=[B+])[c-]4n4c5cc6c[cH-][cH-][cH-]c6cc5c([O-])n34)C2(C)C)C1=[B+]"]
["176519334","[B+]=C1C=C[C-](C(F)(F)F)[N-]C1=C1NC(=NCC(C)(C)O)[N-]C(=N[C-]2C(=[B+])C(=[B+])N=C(C(F)(F)F)C2=[B+])N1"]
["175364393","CC.[B+]=C1C(=[B+])C(=S=S=c2c(=[B+])c(=[B+])c(=[B+])[c-](-n3[cH-][n-][c-](C)[n-]3)c2=[B+])C(=[B+])C(=[N+]2[CH-][N-][CH-][N-]2)C1=[B+]"]
["173757194","[B]=C1C(=[B])[c-]2[nH][c-]3[c-]([c-]2C(=[B])[C-]1Cl)C([B+])([B+])CC([B+])([B+])C3([B+])C(=N)O"]
["95841513","CC1(C)CCCC(NCC(C)(C)C(=N)O)C1"]
["87746865","N=C(O)CNC1(C(=O)O)CCCCCC1"]
["173636486","CC.CC#N.[B+]C([B+])([B+])C([B+])(O)[c-]1[n-]c2c[n-][c-](Cl)cc-2n1C1CCCCC1"]
["100208632","O=BC#CO.[B]C(=O)NC1(C(=O)O)CCC1"]
["156154244","N=C(O)N1CCNC[C@H]1Cl"]
["119854950","Cc1cc(N=C(O)C2(C)CCCNC2)cnc1Cl"]
["87746866","N=C(O)CNC1(C(=O)O)CCCC1"]
["94618688","N=C(O)C1(NCC(F)(F)F)Cc2ccc(Cl)cc2C1"]
["66614823","CCC1(C(O)=Nc2ccc(OC)c(Cl)c2)CCNC1"]
["84850404","CN(c1cc2c(cc1Cl)C(=O)C(=O)N2)C1CCCCC1"]
["174352247","CC1CC2CC(C)CC(CN3CCC4(CC3)CC4CNC(=N)/C=C\\C(=N)c3cc(F)ccc3Cl)(C1)C2"]
["64214780","CC(C)/C=C(C(=C(C(=C\\[N+](=O)[O-])\\C(C)C)/[N+](=O)[O-])/C(C)C)\\S(=O)(=O)O"]
["99626682","O=S(=O)(O)/C=C(\\[O-])CCl.[Na+]"]
["77384179","CC(OS(=O)(=O)[O-])C(=O)[O-]"]
["121394386","CC(C)(C)CCS(=O)(=O)NCc1ccccc1[N+](=O)[O-]"]
["13305296","CC([O-])=Nc1ccc(S(=O)(=O)N=C(O)c2cc(F)c(C)c([N+](=O)[O-])c2)cc1"]
["175722505","CC/C=C(\\C=C/[NH2+]OC)[N+](=O)[O-]"]
["3938443","CC(=O)[C@@H](C)S(=O)(=O)[O-]"]
["132426839","CC(N=C(O)CN1CCCCC1(C)C(=N)O)c1cccc([N+](=O)[O-])c1"]
["MCULE-2670191880","Cc1cc(O)c(NS(=O)(=O)c2ccc(Br)cc2)c(C)c1[N+](=O)[O-]"]
["185104401","CC(C)=CCn1c(Br)nc(C(O)C[N+](=O)[O-])c1C(=O)[O-]"]
["93392045","CCc1ccc(/C=C(/C(C)C)[N+](=O)[O-])cc1"]
["74304585","O=[N+]([O-])c1cc(N=C(O)CO)cc(S(=O)(=O)O)c1"]
["8723","CN=C([S-])N[N-]/C=C(\\[N-]/C=C(\\[S-])NC)C(C)C.[Cu+4]"]
["95362209","CC#CCNC(C)C(O)=NC(O)=NC"]
["80892859","COc1ccc(C=CC(C)O)c(CCN=C(O)OC(C)(C)C)c1"]
["193648103","CN=C(O)NC.CN=C(O)OC"]
["189177087","C/N=C/C(CO)[C@@H](C)O"]
["197102816","C=C/C=C(/[B]OC(C)(C)C(C)(C)O)C(=NC)C(C)C"]
["185890154","C/C(=C/C(O)C(C)C)CC=N"]
["77329995","CN=C([S-])NN=CC=NNC([S-])=NCc1ccccc1.[Cu+2]"]
["91743408","Cc1cc(C(N)=NO)ccc1CNC(C)c1ccncc1"]
["180864005","CN=CC(NC(CO)CO)=C(C)C"]
["172576169","CCC(C)C(=NC)/C(=C\\C=N/NC)C(C)C"]
["185137055","CN=C(O)C(=CN)C(C)C"]
["161828458","N#[N+]C1=C(N=N)C(=C2C=CC(=[NH2+])C=C2)C=CC1=N"]
["178760543","C=C(C)N(C)N=C1C=CC(=[NH2+])C=C1"]
["16188188","CCOc1ccc([C@@H](C)N=C(O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC"]
["55501888","CC1=NC(c2ccccc2)=C([N+]#N)C1=C(C)O"]
["168757068","CCOc1ccc(-c2cnc(N=C(O)Cc3ccc4[nH]c(=N)sc4c3)s2)cc1"]
["55576182","Cl.N#[N+]c1ccc(N=Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1"]
["53069582","N=NN=C1C=CC(=[NH2+])C=C1"]
["12731047","COc1ccc(OC)c([C@@H](C)N=C(O)[C@H](C)Sc2nc(=N)[nH][nH]2)c1"]
["164104642","N=C1C=Cc2sc(=N)[nH]c2C1=N"]
["181254049","CC(Oc1ccc(N=[N+]=[N-])cc1)c1ccccc1"]
["150395925","CCCC(C)c1cn(-c2ccc3n2Sn2c(ccc2N2CCCCC2)C3=C2C=CC(=[NH2+])C=C2)nn1"]
["61756403","F[P-](F)(F)(F)(F)F.[NH2+]=C1C=CC(=C2C=C(c3ccc(N4CCOCC4)cc3)C=C(c3ccccc3)[Se]2)C=C1"]
["27177496","C[N+]1(C(=O)C(=O)C=C([N-]S(=O)(=O)C(F)(F)F)C(=[NH+]S(=O)(=O)C(F)(F)F)[N+]2(C)CCOCC2)CCOCC1"]
["122017527","O=C(C1CC1c1ccccc1OC(F)(F)F)N1CCOC2(CCOCC2)C1"]
["180364007","CCC(O)C1C=C([N+]2(C)CCOCC2)C=CC1"]
["53355394","CCOC(=O)[C@]([NH+]=C(O)c1ccccc1)(N1CCOCC1)C(F)(F)F"]
["64956855","C[N+]1(CCN(Cc2ccccc2)C(=O)c2ccccc2)CCOCC1.[Br-]"]
["78838215","O=C(O)c1ccc(CN(CC[N+]2(OC(=O)C(F)(F)F)CCOCC2)[SH](=O)=O)cc1O"]
["48932523","C=CCOC(=O)C(C)=CN1CCOCC1"]
["55911151","O=C(O)CCS(=O)(=O)N(Cc1ccco1)CC(F)(F)F"]
["109400938","COC(=O)[C@@H](NCC(F)(F)F)[C@H]1CCCOC1"]
["130860307","O=S(=O)(CC1CCOCC1)OCC(F)(F)F"]
["157997976","O=S(=O)([C@H]1CCCOC1)C(F)(F)F"]
["144386122","CS(=O)(=O)NC1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1"]
["180581352","C[I+]SCC1=c2o[nH]c(=NC3CC3)c2=[C-][C-](Br)C1"]
["12302159","Cc1cc(=NC(O)=N[C@@H]2CCCC[C@@H]2C)[nH]o1"]
["156311186","Cc1nc(=NC2CCOC2(C)C)o[nH]1"]
["166657544","COc1cc(OC)c(Cl)c(-c2cc3c[nH]c(=N)cc3c(=NC3CCOCC3)[nH]2)c1Cl"]
["160166787","Cc1noc([C@H]2C[C@H](O)CN2CC(O)=NC2CCC(C)CC2)n1"]
["87966727","CC(C)Cc1nc(Cl)c([N+](=O)[O-])c(=NC2CC2)[nH]1"]
["57423662","CC1CCC(N=c2[nH]ccnc2Cl)CC1"]
["42226876","CC1CCC(N=c2[nH]c3ccccc3s2)CC1"]
["86446065","CCc1nc(N)cc(=NC2CCS(=O)(=O)CC2)[nH]1"]
["106312249","C[C@@H]1CCC[C@H]1N=c1[nH]nc(Cl)c2ccccc12"]
["119547312","CCN(c1cccc(C)c1)c1cnnc(=NC2CC2)[nH]1"]
["168343605","COc1ccnc2cc(NC3CC(C)NN3)[nH]c(=NC3C[C@H]4CC[C@@H](C3)N4C3(C#N)COC3)c12"]
["97271417","CC(C)N(C(C)C)P(=S)(C#[N+]N=P(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O[Si](C(C)C)(C(C)C)C(C)C)(N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C"]
["88579374","CC(C)CC(C)N(C)c1cc(C#N)cc(Cl)n1"]
["48276814","C[C@@H](c1ccc(-n2c[nH+]cn2)cc1)N(C)Cn1nc(-c2ccccc2F)oc1=S"]
["130894073","CC(CN(C)CC(O)COc1c(Cl)cccc1Cl)c1nccs1"]
["55411622","COc1nc(-c2ccc(C)cc2)nc(C(O)=NCC2CC=CCC2)c1O[Si](C(C)C)(C(C)C)C(C)C"]
["128951021","Cc1c(C(C)N=C(O)N(C)C(C)C)cnn1C"]
["192080052","CC.Cc1cc2c(cc1O)=NC(=O)C=2O.Cc1ccc(N=C(O)OC(C)(C)C)cc1O[Si](C(C)C)(C(C)C)C(C)C"]
["63402171","CC(N(C)S(=O)(=O)c1cc(Br)cnc1Cl)C(C)(C)C"]
["84646995","COc1ccc(C(O)C(C)C#N)c(Cl)c1OC"]
["49361920","COc1cccc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)c1OC"]
["69558086","COc1cc(CO[Si](C)(C)C(C)(C)C)cc(Cl)c1O[Si](C(C)C)(C(C)C)C(C)C"]
["7846817","Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)O[C@H](C)C(O)=NC1(C#N)CCCCC1"]
["179526032","C=CSC1=C(Cl)C(Cl)=C(SC2=C(Cl)C(C)(Cl)C(SC=C)C(Cl)=C2Cl)C(Cl)C1(C)Cl"]
["96966206","COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@@H]1COC[C@@H]12"]
["185647295","CC1(Cl)CSC(Cl)=C(Cl)C1(C)Cl"]
["74031551","C=CN(C=C(C)C)c1ccc(N)c(CN)c1"]
["48223226","COC1=CC(Cl)(OC)C=C(N)C1Cl"]
["100248440","ClC1=C(Cl)C(Cl)=C2C(=C(Cl)C(Cl)C2(Cl)Cl)C(Cl)=C1Cl"]
["104000924","COC1(OC)[C@@H]2C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@@H]2c1ccccc1"]
["164692789","C=Cc1cc(NC(=C)C2C(c3cc(C)cc(C)c3)C2(C)Cl)ccc1C"]
["128383635","C=CCC(CC=C)C(O)=NC1CC(C)(OC)C1(C)C"]
["34693299","C[C@@]12C[C@@](Cl)(C[Si](C)(C)COC1=O)[C@H](Cl)C[C@@H]2Br"]
["162040482","CC1=C(Cl)C(C)(C)C(Cl)C1=O"]
["184990562","CC1C=CC(C(=O)[O-])=C(Cl)C1(C)Cl"]
["33316795","CC(C)(C)c1cc(-c2c3nc(cc4ccc([n-]4)c(C#CC#Cc4c5nc(cc6ccc([n-]6)c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc([n-]6)c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6nc4C=C6)C=C5)c4nc(c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.[Ni+2].[Ni+2]"]
["MCULE-7650774243","CCN1CCN(c2cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)nc(-c3ccc(C(C)(C)C)cc3)n2)CC1"]
["172347388","CC(C)(C)c1cc(-c2ccc(O)cc2)cc(C(C)(C)C)c1"]
["171043687","CC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(Oc3cc4cc(n3)c3cccc(c3)c3cccc(c3)c3cccc(c3)c3cccc(c3)c3cccc4c3)n2)c1"]
["168514335","Cc1cc(C)c(-c2c3nc(c4c5ccc([nH]5)c(-c5c(C)cc(C)cc5C)c5nc(c(c6ccc2[nH]6)-c2ccccc2OCCCc2cc(C(C)(C)C)cc(c2S(=O)(=O)O)CCCOc2ccccc2-4)C=C5)C=C3)c(C)c1"]
["76189468","O=[N+]([O-])c1cccc(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c1"]
["91435712","CCCCCCOc1cc(OCCCCCC)cc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(OCCCCCC)cc(OCCCCCC)c4)c4ccc(cc5nc2C=C5)[nH]4)C=C3)c1"]
["78672983","CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccccc3O)n2)cc(N(c2ccccc2)c2cc(F)ccn2)c1"]
["161246991","C(#Cc1ccccc1)C1=Cc2nc1cc1[nH]c(cc1C#CC1CCCC1)c(C1CCCC1)c1nc(c(C#CC3CCCC3)c3ccc([nH]3)c2-c2ccccc2)C=C1"]
["161855281","C=Cc1cc2[nH]c1c(-c1ccc(C(C)(C)C)cc1)c1nc(c(-c3ccc(C(C)(C)C)cc3)c3nc(c(-c4ccc(C(C)(C)C)cc4)c4ccc([nH]4)c2-c2ccc(C(C)(C)C)cc2)C=C3)C=C1"]
["172126322","CC(C)(C)c1cc(Oc2ccccn2)[c-]c(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3cc(C(C)(C)C)cc4c3[n-]c3ccc(C(C)(C)C)cc34)n2)c1.[Pt+2]"]
["175919710","CC(C)(C)c1cc([I+]C(c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1.O=S(=O)([O-])C(F)(F)F"]
["33165427","C[C@]12[C@@H]3[C@@H]4CC[C@H]1[N+]([O-])=N[C@H]2CC[C@H]3[N+]([O-])=N4"]
["43732161","CCC1CCC(CN)(N2CCC(C)(C)CC2)CC1"]
["161826240","CC12C[Ge]3(CC4OC4C3)CC1(C)O2"]
["157790930","CC1(C)[C@@H](N)[C@@H]1C1CCCCCC1"]
["92687806","CNc1cc(=NCC2(C)CCCS2)[nH]c(COC)n1"]
["55231428","[O-][N+]1=NC2C=CC1/C=C\\C=C/2"]
["180585702","CCOC1C2CCCC(C2)C1(C)C"]
["144835073","CC1(C(=O)O)CC(C2CCCC2)CN1"]
["153618327","CC1(C)[C@H]2[C@H]3[C@H](CCC[C@H]21)CC[C@]3(C)O"]
["195752121","C[C@H]1CC[C@H]2[N+]([O-])=C[C@@H](O)[C@]12C"]
["97483100","C[C@@]12C(C3CC[C@@H]1N=N3)C1CC[C@@H]12"]
["97024280","CC1[C@H](O)C[C@H]2[C@@H]([C@@H]3[C@H]1CC[C@@]3(C)O)C2(C)C"]
["79109592","C1=CC=[Se](C2=CC=C[SeH2]2)C([Se]C2=CC=C[SeH2]2)=C1"]
["79202540","O=CC1=CC=C[SeH2]1"]
["173706997","CC1(C)N=C(O)C(C)(C)C2=CC(Cl)=C/C=C\\C=C21"]
["173117426","CC=CC1=CC=C[SeH2]1"]
["161511852","CCC1(CC)C2=C/C(Cl)=C\\C=C\\C=C2C(C)(C)N=C1O"]
["83308811","O=C1C=C(O)[Se]C2=CC=C[CH]C12"]
["165825439","N=C(N)NN/C=C1/C=C(I)C=C(I)C1=O"]
["162316568","CCC1(CC)C(O)=NC(C)(C)C2=C\\C=C\\C=C(Cl)/C=C\\21"]
["79067540","C1=C[SeH2]C(c2nnc(N3CCN4CCC3CC4)s2)=C1"]
["178785328","CC12CC=CC=C1C(=O)C(Oc1ccc(OC3=CC(=O)C4(C)CC=CC=C4C3=O)cc1)=CC2=O"]
["79111751","C1=C[SeH2]C(c2cnc(C3=CC=C[SeH2]3)[se]2)=C1"]
["153044781","CC(C)C1=C=CC=CC=C1O"]
["58724062","CCC[Si-](C)(CCCC[O+]=[Si]=[O+][SiH-](C)=[Si]=O)=[Si]=O"]
["167250375","CCCCC/C=C/C[C@@H]1OC(=O)O[C@@H]1/C=C/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["57387868","CCCC/C=C/c1cc(C)c(C(=O)Cl)cc1S(C)(=O)=O"]
["87084838","CCCC1(O)CN(C(=O)c2ccnc3ccccc23)C1"]
["61587612","CCCCC[O+]=C1c2ccccc2C(=O)N1OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1OP(N)O"]
["MCULE-5482988477","CCCCN1CCN(C(=O)c2cc(F)c(-c3c(F)cccc3OC)cc2F)CC1"]
["114982076","CCC1(O)CN(C(=O)c2cccnc2Cl)C1"]
["181608532","CCCC[Si+]=[SiH-](C)C"]
["162848799","CCC(=O)N1CC(O)(CC#N)C1"]
["148957615","[3H]CCCCCC(C)=O"]
["MCULE-8443832536","CCCCN1CCN(C(=O)c2cc(C)c(-c3c(F)cccc3OC)cc2F)CC1"]
["99415476","CCCC[Si-](O)(=[Si+])CCC"]
["79383214","Nc1c(S(=O)(=O)C(F)(F)F)c(NS(=O)(=O)C(F)(F)F)c(S(=O)(=O)C(F)(F)F)c(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c1S(=O)(=O)C(F)(F)F"]
["74698242","O=S(=O)(c1cc[nH]c1S(=O)(=O)C(F)(F)F)C(F)(F)F"]
["183334384","Cc1c(O)c(S(C)(=O)=O)c(S(=O)(=O)C(F)(F)F)c(Cl)c1C(=O)O"]
["90833689","O=C1C=CC(Cl)=CC1=C1c2cc(C(F)(F)F)ccc2N=C(O)C1Sc1ccc(NS(=O)(=O)C(F)(F)F)cc1"]
["133780136","CC(O)=Nc1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c23)ccc1C"]
["45116319","Nc1ccc(F)c(S(=O)(=O)NC2CCN(C3CC3)C2)c1"]
["116849447","C=C(C)CNC(=N)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1"]
["58619307","NCc1ccccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl"]
["64961233","CC(CNc1ccccc1S(=O)(=O)C(F)(F)F)N(C)C"]
["57894628","Nc1ccccc1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1"]
["112864492","Cc1sc(CN)cc1S(=O)(=O)Nc1c(F)cccc1F"]
["140114782","O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1(Cl)Cl"]
["170669870","ClC12c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c3C3(Cl)c%21c(c%22c%23c(c%24c%25c%26c(c%27c(c%28c%26c(c1c%25c%23c%212)C4(Cl)C%286Cl)C7(Cl)C9(Cl)C%27%12Cl)C%13%24Cl)C%14(Cl)C%22%16Cl)C%17(Cl)C%193Cl)c5c8c%20c%10c%18c%15%11"]
["97320967","ClC12c3c4c5c6c7c8c9c%10c(c1c1c%11c2c2c%12c3c5c3c5c%12c%12c2c2c%11c%11c%13c1c%10c1c%10c9c9c7c7c6c3c3c5c5c%12c6c2c%11c2c(c%131)c1c%10c9c9c7c3c3c9c1c2c6c53)C48C(Cl)(Cl)Cl"]
["195652591","Cc1ccc2c(c1)C13c4c5c6c7c8c9c(c%10c%11c1c1c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c1c1c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c1c1c%11c4c4c%12c5c7c5c8c9c1c45)C63N2"]
["100915836","ClC12c3c4c5n6c3C3(Cl)c7c8c9c%10c(c%11c%12c%13c(c%14c%15c%16c(c1c1c%17c2c3c2c7c3c9c7c9c%10c%12c%10c%12c%13c%15c%13c%15c%16c1c1c%16c%17c2c2c3c7c3c(c9%10)c(c%12%13)c(c1%15)c3c2%16)C4%14Cl)C%115Cl)C86"]
["97157476","S1C23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c2c2c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c2c2c%11c4c4c%12c5c7c5c8c9c2c45)C163"]
["170672831","ClC12c3c4c5c6c7c8c9c%10c%11c%12c(c1c1c%13c3c3c5c5c%14c6c6c%15c7c%10c7c%10c%11c%11c%16c%12c1c1c%12c%13c%13c3c5c3c5c%13c%12c%12c(c1%16)c1c%11c%10c%10c(c%157)c7c6c%14c3c3c5c%12c1c%10c73)C9(Cl)C2(Cl)C48Cl"]
["170671018","ClC12C3=C4C5(Cl)c6c7c8c9c(c61)C1(Cl)C6=C%10C%11(Cl)c%12c1c2c1c2c%12C%12(Cl)C%13=C%14C2(Cl)c2c(c%15c%16c%17c2C%14(Cl)c2c%14c%18c%19c%20c2C%13(Cl)c2c%12c%11c%11c%12c2c%20c2c%13c%19c%19c%20c%21c%22c(c(c-%16c%16c(c5c5c-7c7c%23c(c5c%16%22)c%21c5c%16c%21c%22c(c(c(c(c%22c%12c2c%21c%13c5%20)C%10%11Cl)C69Cl)C87Cl)C%23%16Cl)C4%15Cl)C%17%14Cl)C%18%19Cl)C31Cl"]
["45340477","N#CCC1(CNc2c(Cl)cccc2Cl)CC1"]
["96865358","ClC1(Cl)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C713"]
["100915837","ClC12C3=C4C5=C6C3B3c7c1c1c8c2c2c9c%10c(c%11c%12c%13c(c%14c%15c%16c(c3c3c7c7c1c1c%17c8c9c8c9c%10c%12c%10c%12c%13c%15c%13c%15c%16c3c3c7c1c1c(c3%15)c(c%13%12)c(c9%10)c1c%178)C6%14Cl)C5%11Cl)C42Cl"]
["97471105","O1C23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c2c2c%18c4c6c4c6c7c7c8c%11c8c%12c%11c%14c%12c%14c%15c%17c%15c2c2c%18c4c4c6c6c7c8c7c%11c%12c8c(c%15%14)c2c4c8c76)C32OC2(C159)C%101OC%16%131"]
["32649653","COC(=O)CN1N=NC23c4c5c6c7c8c9c%10c(c%11c2c2c%12c4c4c5c5c%13c6c8c6c8c9c9c%14c%10c%10c%11c%11c2c2c%12c%12c4c4c5c5c%13c6c6c%13c8c9c8c9c%14c%10c%10c%11c%11c2c2c%12c4c4c5c6c5c%13c8c6c9c%10c%11c8c2c4c5c86)C713"]
["45747117","FC(F)(F)C1(C(F)(F)F)O[Si-]2(OCCCCP34(OC(C(F)(F)F)(C(F)(F)F)c5ccccc53)OC(C(F)(F)F)(C(F)(F)F)c3ccccc34)(OC(C(F)(F)F)(C(F)(F)F)c3ccccc32)c2ccccc21"]
["90116262","CC1(CCOc2ccccc2CN)COC1"]
["195772077","Fc1cc(Oc2ccc(C(F)(F)F)cc2)cc(F)c1[C@H]1C[C@@H](O[CH-]c2ccccc2)[I+][C@@H](COCC2=[C-]CCC=C2)O1"]
["59370243","Fc1ccccc1C#CCOc1ccn2nccc2n1"]
["67939236","COCCOCCC1(N)CCOc2ccccc21"]
["96954253","CCN(CC)c1ccc2c(c1)Cc1cc(N(CC)CC)ccc1C21OC(=O)c2ccccc21"]
["134557989","COCCCCCN=C(O)N1CCC(C(F)(F)F)(C(F)(F)F)C1"]
["33933776","CC(C)(C)[Si](OCCCCCCCC/C=C\\I)(c1ccccc1)c1ccccc1"]
["162262799","CC1=CC2OC1(CO)c1ccccc12"]
["10739660","C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21"]
["32085373","O=C([C@@H]1O[C@H]1c1ccccc1)C(F)(F)F"]
["18322223","N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12"]
["96705940","N#CC(C#N)=c1ccc(=C(C#N)C#N)c2c1C=C(C13CCC(C4=CC5=C(C4)S/C(=C4\\SC6=C(Cc7c(cc8c(c7C#CC#CC#CS)CC7=C(C8)S/C(=C8/SC9=C(CC(C%10%11CCC(C%12=Cc%13c(c(=C(C#N)C#N)ccc%13=C(C#N)C#N)C%12)(CC%10)CC%11)=C9)S8)S7)C6)S4)S5)(CC1)CC3)C2"]
["180733208","CC(O)CC1(Cc2ccc(C34CC5CC6C(C3)(C(C4)[C@@]6(C[C-]=O)CC34C=CC=CC3C4)[C@@H]5C)cc2C#N)C2CC3CC(C2)C1C3.[Mn]"]
["172349291","C/C=C(/F)c1sc(N)c(C#N)c1C(=C(C)CC)c1c(F)cc(/C(=N\\COCC2(CN3CC(F)C3)CC2)N2C3CCC2CN(CC(C)O)C3)c2c1COC2"]
["23967872","Cc1nc(S)c(C#N)c2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2"]
["102055941","CSc1nc(C)c2c(c1C#N)C[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C"]
["172181529","N#CC(C#N)=C1Sc2c(C#N)c3c(c(C#N)c2S1)SC(=C1C(=O)N(Cc2ccccc2)N(Cc2ccccc2)C1=O)S3"]
["139872355","Cc1nnc(-c2cccc(C#N)c2)n1CN1Cc2ccccc2C2(CC2)C1"]
["MCULE-5730561286","N#Cc1ccccc1N=C(O)CC1(N2Cc3ccccc3C2=O)CCN(Cc2ccccc2)CC1"]
["124308115","N#Cc1cccc(C=CC(=O)N2Cc3cccc(Br)c3C2)c1"]
["188868459","N#CC(C#N)=C1/C(=N/c2cc3c(s2)-c2sc(/N=C4\\C(=O)c5cc(F)c(F)cc5C4=C(C#N)C#N)cc2C(C(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)O3)Cc2cc(F)c(F)cc21"]
["161083967","N#Cc1ccc(Cl)c(C(=O)N2CC3(CCC3)C2C2CCOCC2)c1"]
["26886010","N#CC(C#N)=c1ccc(=C(C#N)C#N)c(Cl)c1"]
["180603096","C[Br+]C1CCC2=C3C4=C([CH-][CH-]C31)CCC(Br)=C4CC2"]
["162475712","Cc1cc(Br)c2c(c1)[C@@H](N)CCC2"]
["90038587","Cc1nc(C(C)C)nc2c1c(Br)c(Cl)n2C1CC1"]
["55017289","CC1=CC[C@]2(C)C(C)=C(CC/C(C)=C/CC1)CC[C@H]2C"]
["188912063","C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@@H]2O)CC(O)(O)CC4"]
["156885519","Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1Br"]
["50996916","ClC1=C(Cl)C2=C(CC1)CC[C@@H]1CCCC[C@H]21"]
["2955240","Cc1ccc2c(c1)C1=C([NH2+]2)[C@H](/N=C/c2ccc(Cl)cc2)CCC1"]
["158677263","C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(Br)o1"]
["179329207","CSc1ccc(/C=C/c2ccc([C@H]3CC4(C)C(O)CCC4C4CCC5=CC(=O)CCC5=C43)cc2)cc1"]
["106951080","Cc1cc(Br)c2c(c1)[C@H](C=O)NCC2"]
["47833573","CC(C)=CC1CC/C(=C/C(C)C)C1C"]
["83131252","C[Si-]=C1C=C(C(C#CP(C#CC(C2=C=C([Si](C)C)C=C([Si](C)(C)C)C2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)C#CC(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)[CH+]C([Si](C)(C)C)=C1"]
["19659827","CCc1[nH+]c2cc([NH+]=C(O)[C@H]3CC(=O)N(CCN(C)C)C3)ccc2n1CC"]
["185939114","C/C(=N\\C(=N/Cc1ccc2ccc3ccc4c(c3c2c1)OC(c1ccccc1)N4)c1ccccc1)c1ccccc1"]
["1287311","COc1ccc(S(=O)(=O)N=C([O-])[C@H]2CC(c3ccccc3)=NO2)cc1OC"]
["174012105","C[Si-]=C1C=C(Nc2cc(C(C)C)c3ccc4c(NC5=CC([Si](C)C)=C=C(C)C5)cc(C(C)C)c5ccc2c3c45)[CH+]C([Si](C)(C)C)=C1"]
["MCULE-8898179706","Cc1cccc(C2C(C(O)=NC3CCC4(CC3)OCCO4)=C(N)Oc3c2c(C)nn3C)c1"]
["196520518","CC(O)=Nc1ccc(N=C(O)[C@@H]2CC23CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC3)cn1"]
["189886616","CC1=C=C(c2cc(-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)CC([Si](C)(C)C)=C1.CCC(C)(C)C(=O)[C-]=C(O)C(C)(C)CC.[Ir]"]
["14080397","CCOC(=O)CCCCCC(O)=Nc1cc(-c2onc3c2CCCC3)cc(C(F)(F)F)c1"]
["171566080","CC1=CC(=[Si-]C(C2=C(C)C(C)=C(C)C2c2ccccc2)c2cc(C)ccc2C)C=C([Si](C)(C)C)[CH+]1"]
["171565971","CC1=CC(=[Si-]C(c2ccccc2C)c2c(C)c(C)c(C)[c-]2-c2ccccc2)C=C([Si](C)(C)C)[CH+]1.[K+]"]
["194901251","COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCC(C)(O)COc1c(Br)cc(C(O)N=C(O)C3C=NOC34C=C(Br)C(OC)=C(Br)C4O)cc1Br)=NO2"]
["178867925","C=C1C([O-])[C@@]23[C@@H]4OC(C)(C)O[C@]25O[I+][C@]2(C6=C(C[C@@H]7CCCO[C@@H]7O6)CC(C)(C)[C@H]2[C@@H]5[O-])[C@@H]3CC[C@@H]14"]
["90816671","CCCCCC=C1COC2OCCCC12"]
["194938250","C=CC1(C)CCC2(O1)C(=C)C=CC1C(C)(C)CCCC12C"]
["167378399","CC1(C)O[C@@H]2[C@H](O1)[C@]1(COC(C)(C)O1)[C@@H]1CC(=O)[C@H]3OC(O)=N[C@@]32[C@H]1CCCl"]
["145481915","C=C1C(=O)[C@@]23C4CC[C@@H]1[C@H]2OC(C)(C)OC31OC[C@]42C(=O)CCC(C)(C)C2[C@@H]1O"]
["33613630","C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@H](CC1=O)C(C)(C)[C@H]2[C@H](OCCCCCCCCC)C3=O"]
["194945435","C=C1C2CCC3C45COC(O)C4C(C)(C)CCC5OC(=O)C3(C1O)C2O"]
["93886227","Cc1cc(NC2C(N)C3CCCOC32)cc([N+](=O)[O-])c1"]
["MCULE-7320575609","Cc1ccc(C=C2Oc3c(ccc(OCC4CCCO4)c3C)C2=O)o1"]
["97980875","Cc1nnc([C@]2(CC[C@]3(C)CC(=O)C[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)CCC(C)(C)CC2C)s1"]
["161489539","C=C1C(=O)C23[C@@H](CC[C@@H]1[C@@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC(=O)C2=O"]
["139671441","Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1"]
["189181401","CC(C)(C)C1=CC2C3=CC4C5=CC(C(C)(C)C)=CC6c7c8c9c%10c%11c7C7=CC(C(C)(C)C)=CC%12C7B%11C7C%12C=C%11C%12=CC(C(C)(C)C)=CC%13C%12B%12C%14=C(C%15=C%16B(C2C(=C1)C%16C%14%13)C3C(C4B8C56)N%159)N%10C7C%12%11"]
["45783376","CC1CC(C(C)(C)C)CC1C(c1ccc(C(C)(C)C)cc1)C1C2C=C(C(C)(C)C)C=CC2C2C(c3ccccc3)=CC(C(C)(C)C)=CC21"]
["MCULE-2043171104","CC(C)(C)c1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(C2CCC3(CC2)OCCO3)C1=O"]
["99151518","CC(C)(C)C1=CC2C=CC3=CC=C(C4=CC5=C(C=CC(C6C=CC7=C8C9=C(C=CCC9CC7)CCC86)C5)CC4)C4C=CC(=C1)C2C34"]
["189181309","C1=CC2C3B4c5c6c7c8c(c5C3=C1)c1cccc3c5cc9c%10cccc%11c%10n%10c9c(c5n8c31)B7C1=C%10C%11C3C5=C1N6C1C6B5c5c(cccc53)C6=CC2C41"]
["54974517","CC1C=C2C=CC(C(C)(C)C)=C[C-]2C1(C)C.[U]"]
["173979856","CC(C)c1c2c3n(c1C(C)C)-c1cc(-c4ccccc4)cc4c1B(C1=CC(C(C)(C)C)=CC5c6cc(C(C)(C)C)ccc6N4C15)C3C1C=CC=CC1=C2"]
["182689936","CC1CC(C2CC=CCC2)C2C=C(C(C)(C)C)C=C12"]
["169799578","CC(C)(C)C1=CC2C3=CC4C(C=C3N3C5C=c6ccccc6=CC5C(=C1)C23)c1cc(C(C)(C)C)cc2c1N4C1C=c3ccccc3=CC21"]
["171757000","C=CC1=C(/C=C/C(C)(C)C)C2C=C(C(C)(C)C)C=C3B4c5cc6c(cc5Sc5c4c(c4c7c5N5C(=C(/C=C/C(C)(C)C)C8C=C(C(C)(C)C)C=CC85)C(=C)B7c5cc7c(cc5S4)sc4ccccc47)N1C32)sc1ccccc16"]
["199842539","[2H]C([2H])(c1ccc2c(ccc3c4c5n(c(C)nc-4[o+]c32)C2(OC(C(CC)CC)=CC(C(CC)CC)=C2C(C)C)c2c-5cc(C(C)(C)C)c3ccccc23)c1)C(C)C"]
["169799570","CC(C)(C)C1=CC2C3=CC4CN5CC6C=c7ccccc7=CC6c6cc(C(C)(C)C)cc(c65)C4C=C3N3C4C=c5ccccc5=CC4C(=C1)C23"]
["184996575","CC1(C)CC2(CC(C)(C)C3CC4=C(C=C32)OCCO4)c2cc3c(cc21)OCCO3"]
["87227417","CN1CCCC(Nc2ccc3c(c2)OCCCO3)C1"]
["153208693","CC(C)C1=CC(=O)[C@@]2(C)C[C@]3(O)O[C@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@]42O"]
["103854631","C[C@@](CN)(Cc1ccc2c(c1)OCCO2)C(=O)O"]
["61232340","COc1ccc(CC(=O)OCC(O)=N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1"]
["119803651","CCOC(=O)N1CCC(N=C(O)C(C)(C)c2ccc3c(c2)OCCO3)CC1"]
["MCULE-4074938579","Cc1cc(=NC(=O)Cc2ccc(-c3ccc4c(c3)OCCO4)cc2)cc[nH]1"]
["48020264","CCN(C(=O)CCl)S(=O)(=O)Oc1ccc2c(c1)C(C)(C)C(OC)O2"]
["MCULE-4593397763","CC(C)(C)OC(=O)N1CCN(C(=O)CCc2cc(-c3ccc4c(c3)OCCO4)ccc2F)CC1"]
["2846997","CCc1cc([C@H]2N=NC=C2c2ccc3c(c2)OCCO3)c(O)cc1OCC(=O)O"]
["6586337","Cc1cccc(OC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1[N+](=O)[O-]"]
["90622537","CC1=CC(=O)C2CC(O[Si](C)(C)C(C)(C)C)=C3CC4OC(=O)C(C)C4C3C2(C)C1=O"]
["100857370","[O-][PH2-]1([O-])OC[C@H]2O[C@@H](N3C=[N+]=C4C=CC=[N+]=C43)C[C@@H]2O[PH2-]([O-])([O-])SC[C@H]2O[C@@H](N3C=[N+]=C4C=CC=[N+]=C43)C[C@@H]2O1"]
["190092646","Cc1ccc(C(=O)N2CCOC(c3nn[nH]n3)C2)n1C(F)F"]
["190731161","CC(C)OP1(=O)OC[C@H]2O[C@@H](N3C=C(F)C(=O)CC3=O)C[C@@H]2O1"]
["167287603","CC(=O)[C@@H]1[C@H](C(C)=O)[C@H]2O[C@H](CSS2=O)[C@H]1C(C)=O"]
["73745223","O=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](C(Br)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1"]
["191481919","O=C1CC(=O)N([C@H]2C[C@@H]3OP(=O)(OCCc4ccccc4F)OC[C@H]3O2)C=C1F"]
["191400112","O=C1CC(=O)N([C@H]2C[C@@H]3OP(=O)(OCc4ccccc4)OC[C@H]3O2)C=C1F"]
["20901838","C[C@@H]1CN([C@H](c2sc3ncnn3c2[O-])c2c(F)cccc2Cl)C[C@@H](C)O1"]
["81825803","O=C(C1C=CC2=NC(O)=NC2=C1)C1COc2ccccc21"]
["45292301","N.O=c1nc(O)c(C(F)(F)F)cn1C1CC2O[P+](O)(O)OCC2O1"]
["187211077","CO[C-]1C(Cl)=CC=CC1=COC1C[C@@H](C)CO1.[Cs+]"]
["101727636","Cc1ccc([As]2(C)c3ccccc3OC3CCCCC32)cc1"]
["178439920","O=C1C2=C(C3CCC(Br)C[C-]13)C1[C-](S2)C(=O)C2C[CH+]CCC21.[Be+2].[H-]"]
["83465431","CCOC(=O)c1sc(N2C(=O)C3=C(C(=O)C4CC(Br)CCC4O3)C2c2ccc(SC)cc2)nc1C"]
["164500611","O=C1C[C@H](c2ccccc2)[C@H]2CC[C@H](CCc3ccccc3)O[C@H]2O1"]
["113209474","Cn1ncc(Cl)c1S(=O)(=O)NCC1CCC(Br)C1"]
["173486680","[B]C1CCC2C(C1)C(=O)C1CC3C(CC12)C(=O)C1CC(Br)CCC13"]
["108184901","O=C(O)c1ccccc1[C@H]1CC[C@@H](Br)C[C@@H]1N=CO"]
["178099632","CC1C(C)[C@@H]2[C@@H]1CNC1N2CC(=O)I1C"]
["76538540","O=C1NC(c2ccc(Cl)cc2)C2=C1OC1CCC(Br)CC1C2=O"]
["109141117","O=C(O)c1ccccc1[C@H]1CC[C@H](Br)C[C@H]1N=CO"]
["83641120","O=C1C(N2CCCC2)=CSC2CCC(Br)CC12"]
["178441759","O=C1[C-]2C3CCCCC23C(=O)[C-]2CC12.[U+2]"]
["75632282","O=C1CCCCC(Br)CCC1"]
["193163057","Cc1[n+](C)nc(N=[N+](C)C2=N[N+](C)=C=[N+](C)[N-]2)n[n+]1C"]
["79039940","C[Si](C)(C)C#CCOc1[c]cccc1"]
["60371488","CC1=NC(C)[N+](C)=N1"]
["178202388","CC1=N[C-]([N+](C)=I[NH-])[N-]C(C)=[NH+]1"]
["176626849","CC.[CH-]=C(C1=C=C(C)[N-]C(C)=C1)C(O)=NC.[K+]"]
["100256920","CCc1c(C)c(C)c(C)c(-c2c(CC)c(C)c(C)n[n+]2C)c1C"]
["180058021","Cc1c(C[N+]2=C=[N+](CCCO)C(Cl)=C2Cl)c(C)c(C[N+]2=C=[N+](CCCO)C(Cl)=C2Cl)c(C)c1C[N+]1=C=[N+](CCCO)C(Cl)=C1Cl"]
["84081836","Cc1nc(N(C)C)n[n+](C)c1C.[I-]"]
["82870071","Cc1n[n+](C)c2c(c1C)CN(C)C=N2"]
["145153147","Cc1ccc(NC([O-])=Nc2sn[n+](C)c2C)cc1"]
["175858347","CC1=C=[N+](C)[N-][N-]1.[Ru+]"]
["182019258","CC1=CC(N=[N+]=[N-])OC(C)=C1"]
["180103787","O=C1OC(=O)c2cc(I=c3cc4[c-](cc3I)C(=O)OC4=O)c(I)cc21"]
["76518974","C=c1cccc2c1=[N+](CCOc1ccc3ccccc3c1)C(=O)OC2=O"]
["44489908","COc1cc(/C=C2\\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cc(I)c1OCc1ccccc1I"]
["76640824","COc1cc(C=C2N=C(c3ccccc3Br)OC2=O)cc(I)c1OC(=O)c1ccccc1"]
["8866115","Cc1nn(-c2ccc(I)cc2)c2oc(=O)cc(-c3ccccc3)c12"]
["173160324","COC(=O)c1ccc2c(c1)/C(=C/c1ccccc1)OC(=O)N2C"]
["167538123","CCCC(c1oc(CO)cc(=O)c1O)c1c[nH]c2ccccc12"]
["171573404","O=C1OC(=O)c2cc3cc(S(=O)(=O)O)ccc3cc21"]
["193727138","CC(O)c1cc(C(C)(c2ccc3c(c2)C(=O)OC3=O)C(F)(F)F)cc2c1C(=O)OC2=O"]
["32507539","C[Si](C)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc2c(c1)C(=O)OC2=O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc2c(c1)C(=O)OC2=O"]
["62472126","O=C=CN1C(=O)OC[C@H]1c1ccccc1"]
["74423590","CCc1ccc2c3c(ccc(S(=O)(=O)O)c13)C(=O)OC2=O"]
["195770148","C/C=C1\\CC2CNC3=C(C=C(C4CC4)C(OCC4C=C(OCCN(CC)CCC([O-])[O-])C=C(COCCC5=C(/C=C/OC)C(=O)N6C/C(=C/C)C[C@@H]6C=N5)N4)C3)C(=O)N2C1.CCOCCOC.[U+2]"]
["126685167","CCOCC1CCCN(C(O)=Nc2ccnc(C(=O)N(C)C)c2)C1"]
["133760189","COCCN(C(=O)Cc1cnc2ccccc2c1)C1CCS(=O)(=O)C1"]
["101494217","COCCNC1(C)C=NC(Nc2cc(-c3ccc4c[nH]nc4c3)cn3ccnc23)=CC1"]
["176261896","COCCN(CCCCc1ccc2c(n1)NCCC2)CC[C@H](N=C(O)N1CC[C@H](F)C1)C(=O)O"]
["187572136","COc1ccc(C2=CN3C(=O)c4cc(OC)c(OCCCOc5cc6c(cc5OC)C(=O)N5C=C(c7ccc(NC(C)C)cc7)CC5C=N6)cc4N=CC3C2)cc1"]
["101600811","CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)CC)cn3)c(=O)n([C@@H](C)COC)c2n1"]
["11955063","COCCN(CC(C)C)C(=O)C(O)=Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1"]
["192379449","C/C=C1\\C[C@H]2CCc3cc(OCc4cc(COc5cc6c(cc5OC)C(=O)N5C/C(=C/C)C[C@H]5C=N6)cc(N=C(O)CC(C)(C)S(C)=S)c4)c(C)cc3C(=O)N2C1"]
["153913197","COCCCc1nn(CC(=O)N(CCOC)CCOC)c2[nH]c(=O)c3c(c12)CCN(C(=O)CCC(=O)OC)C3"]
["24595703","COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cc1cccnc1"]
["139088637","CCN(CC)C1CCN(C(=O)C(=O)N=c2ccn(CCOC)[nH]2)C1"]
["173725249","CC(C)O[B]O[C-]([O-])C(C)(C)O[B+]OC(C)(C)C(=O)O[B+]OC(C)C"]
["50488872","CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@](C)(O)CO"]
["60335366","COC(=O)C(C)(C)[N+]([O-])=[N+]([O-])C(C)(C)C(=O)OC"]
["111335025","CCOC(=O)c1cnc(C(C)CC)nc1CCl"]
["96690463","CC(OC(=O)C(C)(C)C)C(=O)C[Si](C)(C)C(C)(C)C"]
["55991483","CC(C)[C@@](C)(C#N)N=C(O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1"]
["43572084","CC(OC(=O)C(C)(C)C)C(=O)Cl"]
["4380456","C[C@@H]1[C@H](C)CCC[C@H]1N=C(O)COC(=O)[C@@H](C)N=C(O)c1ccccc1"]
["92748138","CC(C)OCC(=O)N1CCC(C(C)(C)C)C1"]
["60038262","CCC(=O)C(C)=C(C)C(C)C(C)(C)C"]
["57797545","CC(O)(Oc1ccccc1)C(=O)O"]
["177147834","CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(C)CC"]
["189873897","CC(C)(C)[CH-]C(C(N(C1=C=Nc2[nH]cc(C(C)(C)C)c2[N-]1)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Y]"]
["64833871","CC(C)(C)c1c[nH]c2ncccc12"]
["89066470","CC(C)(C)C(CC(=O)O)c1ccc2nc[nH]c2c1"]
["195837325","CC(C)c1ccc(N(C)CC(C)(C)c2cnc(=[NH2+])[nH]c2)nc1"]
["162687169","CC(C)(C)C(CO)N=c1cnc(Br)c[nH]1"]
["86955614","CCC(C)C(C)(O)c1ccc2[nH]ccc2c1"]
["120835091","CC(C)(C)c1c[nH]c(C(N)=O)n1"]
["99711723","[B+]=C1C=Nc2[nH]cc(C(=O)C(C)(C)C#N)c2[N-]1"]
["76721212","CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccc2F)[nH]c1=O"]
["178357872","CC(C)(C)c1cc2c[nH]c(=O)nc2[nH]1"]
["165251424","BC(c1ccc(C)cc1C(C)(C)C)C(C)(C)C"]
["180444622","CC(C)(C)c1nc2cc(C(C)(C)I)cnc2[nH]1"]
["179147405","SC1C=CC=C(NC2NC3=C(C=[NH+]2)CCc2[nH+]csc23)C1"]
["178272289","COC1=C(S)CC(S)C=C1"]
["144295010","Cc1ccsc1C(Cc1ccccc1)NCCC1CCOC1=O"]
["83405245","O=[N+]([O-])C1C=CC=C(C2CC(C(O)=Nc3nccs3)NC(S)=N2)C=C1"]
["180191140","N=CCC1CCN(C2NC(CN)=C(C(=N)O)C(NC3=CC=C4NC(O)=NC4C3)N2)CC1"]
["174554405","CC1C=CC=C([S+](C2=CC=CCC2)c2ccccc2)C1"]
["164433415","CC(C)(C)OC(=O)NC1=CC=CC(S)N1"]
["146256395","Cc1ccc(N=C(O)C2CCNC2)cc1S(=O)(=O)Nc1ccccc1.Cl"]
["174198250","COc1ccc2c(c1)OC(Nc1ccc(-c3ccc(C(=O)CC(C)(C)C(=O)O)cc3)cc1)N2"]
["MCULE-9503881736","OC(=Nc1cc(I)cc(I)c1)C1SCCCS1"]
["125898604","CC1CCc2c(C(=O)N3CCCN(C(=N)O)CC3)csc2C1"]
["67042530","OC(=Nc1ccc2c(c1)N=N/C2=C\\NC1CC1)N=c1[nH]ncs1"]
["178455339","C1=CCCC(C2C=CC(/C(=C\\c3ccc(C4=CC=C(/C=C(/C5=CCC(c6ccccc6)C=C5)C5=CCC(c6ccccc6)CC5)CC4)cc3)C3=CCC(C4=CCCC=C4)C=C3)CC2)=C1"]
["179126664","C1=CCCC(C2=NC(c3ccc(C4=CCC(c5ccc6oc7ccccc7c6c5)C=C4)cc3)C=C(C3C=CC(c4ccc5c(c4)C=CCC5)=CC3)N2)=C1"]
["178986066","C1=CC(n2c3ccccc3c3ccc(-c4cccc(C5=CCC(C6C=CC(c7ccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)cc7)CC6)C=C5)c4)cc32)=CCC1"]
["51076572","NC1(c2ccccc2Cl)CC(c2ccccc2)C1"]
["78636769","CCCCn1c2cc(/C=C/c3ccc(C4=CC=CCC4)cc3)ccc2c2c3ccc(/C=C/c4ccc(C5=CC=CCC5)cc4)cc3n(CCCC)c21"]
["184179500","CC1OCC(C2=CC=CCC2)CC2CC21"]
["176942977","COC(=O)[C@@]1(N)CC[C@@H](c2ccccc2)C1.Cl"]
["150192054","CC1C=Cc2nc(N=C3N=C4CCCC(=O)C4C4(CCC(c5ccccc5)C4)N3)oc2C1"]
["78439475","C=C/C=C\\C=C(/C)N(C1=CC=C(C(C)(C)C)CC1)c1ccc2c(C3C=CCCC3)c3cc(N(C4=CCCC=C4)C4C=CC(C(C)(C)C)=CC4)ccc3c(C3CC=CCC3)c2c1"]
["149669272","CC1(C)C2=C(c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc31)C(C1=CCCC=C1)C(C1C=CC=CC1)C1=C2C(C)(C)c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc21"]
["28960426","CC1(OC2=CC=C(N(C3=CCC(C4=CCCC=C4)C=C3)c3ccc(C4C=CC=CC4)cc3)CC2)CC=C(N(c2ccccc2)c2ccccc2)CC1"]
["180052198","C1=CCC(c2nc3ccccc3n2C2=CCC(c3ccc(-c4nc5ccccc5nc4-c4ccc(C5C=CC(N6c7ccccc7NC6c6ccccc6)=CC5)cc4)cc3)C=C2)C=C1"]
["81491296","C=C1C(C[O+]=[Si-]C2CC(N3C[N-]C4C(O)=NC(=N)N=C43)C(=C)C2C[O-])C([Si+][O+]=[Si-]C2CC(N3C[N-]C4C(O)=NC(=N)N=C43)C(=C)C2C[O-])CC1N1C=NC2C(O)=NC(=N)N=C21"]
["82103588","C[Si](C)C1(N2C=NC3C(O)=NC(=N)N=C32)CC(O)(C(C)(C)C)C(COC(C)(C)C)O1"]
["90582458","N=C1N=C(O)C2N=NN(CCCCP(=O)(O)O)C2=N1"]
["81491282","C=C1C(CC)C(O)CC1N1C=NC2C(O)=NC(=N)N=C21"]
["90526948","COC(O)=NC1=NC2C(O)=NC(=N)N=C2N1Cc1ccc(OC)cc1"]
["82391605","COC(=O)CC(CC(=O)O)(OP(=O)(O)OCC1CCC(N2C=NC3C(O)=NC(=N)N=C32)O1)C(=O)OC"]
["90615541","O=C(N=C1N=C(O)C2N=CN(C3CC(O)C(CO)O3)C2=N1)OCC(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]"]
["83057993","OCC(O)C(CN=C1N=C(O)C2N=CN(C3CC(O)C(CO)O3)C2=N1)[Se]c1ccccc1"]
["77906200","CCC(=O)OCC(CCN1C=NC2C(O)=NC(=N)N=C21)COC(=O)C(N)C(C)C"]
["69642835","C[Si](C)(C)OCC1(OS(C)(=O)=O)C=CC(N2C=NC3C(O)=NC(=N)N=C32)C1"]
["76460133","N=C1N=C(O)C2N=CN(C3CC(ON)C(CO)O3)C2=N1"]
["82923720","CC(N1C=NC2C(O)=NC(=N)N=C21)C(C)(O)C(O)C(O)CO"]
["100993664","OCCN=C([S-])C(=S)[N-]CCO"]
["92895304","CCCC(CCC)C(O)=NCCCO"]
["74094815","[CH2]CCC(=O)N1CCC(C(O)=NCCO)CC1"]
["120443888","CC(C)N(CCOCCO)CC(O)=NCCO"]
["114731352","O=C(O)[C@@H](O)CCN=C(O)N(CCO)CCO"]
["MCULE-9657626238","COCC(O)=NC(Cc1ccc(OC(C)=O)cc1)C(O)=NCCO"]
["153092924","OCCN=C(O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1"]
["47847505","CCOC(=S)[S-].CCOC(=S)[S-].[Zn+2]"]
["169371442","CC(O)=NCCN(CCO)CCCO"]
["170691228","CCC(O)=NCCC(C)C(O)=NCCO"]
["129465344","CCNS(=O)(=O)c1ccc(C=CC(O)=NCCO)cc1"]
["80030738","O=NN(CC(O)C(O)C(O)C(O)CN(N=O)C(O)=NCCCl)C(O)=NCCCl"]
["64534443","CC(=O)SCc1nccc(SCCCSc2ccc3ncc([N+](=O)[O-])n3n2)c1C"]
["51760868","Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1"]
["144122959","CCCC(C)C(C)OC(=O)Cn1ccc([N+](=O)[O-])n1"]
["13741499","Cc1c(Nc2ncc([N+](=O)[O-])c(=N)[nH]2)c(=O)n(-c2ccccc2)n1C"]
["177484995","Cc1c(C(N)CCCC(C)CC(=O)c2ccnc3c2cnn3C)nn(C)c1-c1cc(F)c(F)c(F)c1"]
["125153808","Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(Br)cn1"]
["15462023","Cc1ccc(Cc2c(C)nc3nc(SCC(=O)Nc4ccc(C)cc4)nn3c2C)cc1"]
["11251384","O=[N+]([O-])c1ccc(CSc2nnc(CSCc3ccc(Cl)cc3)n2-c2ccccc2)cc1"]
["105710332","CC[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1"]
["114233909","CC(C)CCOc1cccc([N+](=O)[O-])c1C(=O)O"]
["62712481","Cc1c(C(=O)O)ccnc1CCl"]
["142860050","CCN(CC1CC1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1"]
["CNP0508512.0","C=[C+]C[SH]([O-])CC=C[SH]=S=CC=C"]
["147809596","C=[C+]CC1=[C+]C1"]
["148835623","C=CCC(F)(CN)CN.Cl.Cl"]
["25157643","C=CCSCC1=NC[CH]N1"]
["64577534","C=CCC(CC=C)(CSCCC(=O)[O-])C(=O)[O-]"]
["173971057","C=CC(O)=NCC[N+](C)(C)C(CC)S(=O)(=O)[O-]"]
["79950287","C=[C+]CC([CH2-])(C)CC=C"]
["173060680","C=C/C=C(\\C=C/CN(C)N(C)C)CCC"]
["174132932","C=C/C=C(\\C)c1ccc(CCN)c(O)c1"]
["53564715","C=CC=S=CC=C.[S-2].[Sn+2]"]
["11049434","C=CCCCCCCCCC(O)=Nc1ccc([N+](=O)[O-])cc1O"]
["79822123","C=C[N-]C[CH2+]"]
["55014740","N=C1NS(=O)(=O)Cc2sc3c(c21)CCC(=O)C3"]
["47703362","CC1(C)CCc2sc3c(c2C1)C(=N)N=C(S)C3"]
["98336716","O=C1Cc2c3cc(=O)oc-3n[nH]c2O1"]
["88902584","O=C1CCc2c(F)cc(F)cc2O1"]
["26384118","O=C1CCc2c([nH]c3ccccc23)C1"]
["MCULE-9276300338","CC(=O)c1ccc(-c2cccc(C#N)c2NC(=O)C2CCC(=O)C2)s1"]
["112378223","N=c1[nH][nH]c(C(=O)O)c1C1CCSCC1"]
["61178341","CC(C)(C)OC(=O)N1CCC(COc2cccc3c2C(=N)NS(=O)(=O)C3)C1"]
["83620717","CCN1CCc2c(sc3c2C(=O)[NH2+]C(c2cccc(Cl)c2Cl)N3)C1"]
["91281065","COc1cc2c(cc1C(C)C)CCC(=O)C2"]
["107238088","CCc1oc2c(c1-c1n[nH]c(=N)s1)C[C@H](C)CC2"]
["157872841","Cc1sc(=N)[nH]c1[C@H]1C[C@@H]1C"]
["99706319","C[Si-](C)(C)=[Si]=[N+]=[Si]=[Si-](C)(C)C.[K+]"]
["91221353","CC(C)[Si](C(C)C)(C(C)C)[Si](C)=[Si-](C)(C)C.[K+]"]
["25952235","[CH+]=[Si-](C)(C)C"]
["171041243","CC12C[AsH][As](C1)[AsH]C2"]
["172457367","C[Si-](C)(C)=[Si]"]
["100293232","CC(C)(C)C[Si]CC(C)(C)C"]
["161759058","[CH+]=[Si-](C)(C)C.[Os]"]
["189974068","CC[O+]=[Si]=[Si-](C)(C)C"]
["99855810","C[Si-](O)([Si]O)=[Si+]O"]
["173602678","[B+]=[Si-](C)(C)CCC"]
["46017116","[CH+]=[Si-](C)(C)[Si-](=[CH+])(C)C"]
["91546845","C[Si](C)(C)[Si]([Si](C)(C)Br)=[Si-](C)(C)C.[Li+]"]
["172599661","NC1C(N)(N)C(N)(N)C(N)(N)C(N)(N)C1(N)N(N)N"]
["185485671","CC1(N)C=Cc2nccnc2C1N"]
["155064741","C[C@@H]1[C@@H](N)C1(F)F"]
["162078440","CN(C)C[C@H]1[C@H]2CC[C@H](C2)[C@H]1N"]
["172541910","CC1(N)CCCC(N)C1.Cl.Cl"]
["175475737","NC1CCC(N)(I)CC1"]
["162078024","CN(C)C[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1N"]
["175385108","CC1C(N)C(C)(C)C1(C)N.O=C(O)O"]
["159115693","CC1(C)[C@H](N)C12COC2"]
["164675553","CC1(N)O[C@@H]1N"]
["195551047","CC1C(C)C(C)(N)C1(C)C"]
["188094548","CC1(C)CC(N)CC(C)(N)C1N"]
["189130850","SNSSSSSNSSS"]
["96947178","[O]SSSS"]
["50315770","SSSSSSSSSSSSSSSSSS"]
["53312150","NSNS"]
["46045938","CSSNC(C)[C-]=O.[Ni]"]
["173978715","SSSSSSSSSI"]
["179296066","CC(C)OC(=O)[C@@H](C)NSSS"]
["149690806","CSSSSS"]
["47824371","[B+]SSSSSSSSSSSSS"]
["173575259","S=[S-](=S)SSSSSSSS"]
["78431329","CS(C)(C)#SSSSSSSSSSS"]
["99181210","CCC(=S)SSSSSS"]
["168504232","[Si-]N[CH+]C=C[N+]#[Si-]"]
["194429393","[CH-]=C[CH+]NC(=N)N.[W]"]
["99511332","C=COOO[N+]#[Si-]"]
["49957520","O=C[Si+]N[Si-]"]
["168504231","[Si-]N[C+](C=C([N+]#[Si-])c1ccccc1)c1ccccc1"]
["174344311","C#[N+]/C=C\\C(=C/C)CNC"]
["76681552","[CH-]=C[CH+]C=CN.[V]"]
["100197635","C=C[N+]#[Si-]"]
["76655484","[CH-]=C[CH+]NC.[Sb+]"]
["99223669","[CH2+]C=[Si](C)N[Si-]"]
["99469339","O=C(O)[CH+]C=[Si]N[Si-]"]
["26642687","[CH-]=C[CH+]C=C[Si](C)(C)C"]
["163941387","ClB(Cl)N1SSSSSSS1"]
["182015078","O=S1(=O)SSSSS1"]
["78462290","CN1C=CN(B(O)O)C=C1[C]=O"]
["170467668","S1SSSSSSSSSSS1.S=C=S"]
["170602225","ClB(Cl)n1c(Cl)cccc1=[Cl+]"]
["90939828","CC1(C)SSSSSSSSSSSSSSSSSSS1"]
["64798986","S1SSS[SH+]SSS1"]
["90939832","CC1(C)SSSSSSSSSSSSSSSSSSSS1"]
["97157716","ClB(BN1CCCCC1)N1CCCCC1"]
["91591889","CN1SSSSSc2cccc(c2)SSSS1"]
["65599501","FC(F)(Cl)N1SSSSN1C(F)(F)Cl"]
["91254195","O=S(N1SSSSSSS1)N1SSSSSSS1"]
["54750483","FNC1(F)N(F)C2(F)N(F)C(N(F)F)=NC3=NC(F)(F)N(F)C(F)(N1F)N32"]
["170577196","NC1CN(c2n[nH]c3cc(Cl)ncc23)CC1(F)F"]
["111760101","CN(C)C(C)(C)CNCc1cn(C(C)(C)C)nn1"]
["143925671","CN(C)C(=O)c1ccc(CNCC2(O)CCCCCC2)[nH]1"]
["173506648","O=CCC1=NC=CC(F)(F)C1([N+](=O)[O-])[N+](=O)[O-]"]
["120461244","FC(F)(F)C1=NC2=NC(c3cncs3)N2N1"]
["180245734","CNC1=C=C2N=C(N3CCC(F)(F)CC3)N=C(NCC[I+]C)[C-]2C[C-]1OC"]
["178640674","CCC(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(O)=NC(=O)N1C)C(CC)c1cc(F)cc(F)c1"]
["161808520","SC1=CN(c2cnns2)NS1"]
["179964232","FC1(F)CCC(Cn2ccc3c2=CC(Br)CN=3)CC1"]
["81714196","CC1=C(C)C2C(=O)N=C(CNCC(C)(C)N(C)C)N=C2S1"]
["MCULE-3423122557","COc1ncc(-c2cnn(C)c2NC(=O)C2CCC(F)(F)CC2)c(OC)n1"]
["50368255","C=[B-](CC)N1[CH]N([B+]CC)C=C1"]
["100305975","[CH2-][BH-](CC)N1[C+]=CN([B+]CC)C1C"]
["120035897","CC(C)(C#N)CCCCOc1ccc(F)c(F)c1"]
["7990409","CCn1cc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c(C)n1"]
["177884388","CCCCCCC(C)(CCCCC)c1nn(C)cc1F"]
["167034555","CCc1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1S(C)(=O)=O"]
["174106655","CCN1C=C[NH+](C)C1.F[B-](F)(F)F.N"]
["168446764","CCCN1[CH]N(CCC[B+]OC)C=C1"]
["164406966","CCCCN1CCCCC1(C)C(O)=NCc1c(F)ccc(C)c1F"]
["150640529","CN(CCN(C)C1CCCC1)C(=O)c1cc(O)ccc1F"]
["74629227","CCN1C=CC(=C=O)[N]1"]
["58775590","CCCCN1C=CN([Si](C)(C)C)C1COCC"]
["50545344","[3H][B]I=[B-][3H]"]
["58214493","O=P1(P2(=O)OOO2)OOO1"]
["64496588","[3H][B]O"]
["49492507","[3H][B-]O.[K+]"]
["46225215","[3H][B-]F.[Li+]"]
["190642775","[3H][B]PI"]
["51792082","[BH]C(C)=O"]
["171909381","[3H][B]P([3H])O[3H]"]
["56834330","[3H][B-]F"]
["172126589","[3H][B]Cl"]
["193778449","[3H]CI=O"]
["177080720","O.[3H][B]C.[Ce]"]
["177142037","ClC1CCC(/C=C/CC2CCCCN2CC2CC2)CC1Cl"]
["147886412","Cc1[nH]nc(C(=O)NCCN2CCCCC2CO)c1Cl"]
["47849506","CCC1CCCN1CCCCCCCl"]
["MCULE-6252585008","CCC1CCCCN1C(=O)c1nc(SC)ncc1-c1cc(F)ccc1C#N"]
["147880081","Cc1ccc(OCCN=C(O)N2CCN(CC3CC3)C(CCO)C2)cc1C"]
["138818611","CN=C(O)C1CCCCN1Cc1cc(Br)ccc1Cl"]
["106765395","CN(C)CC[C@H]1CCCCN1Cc1ncc[nH]1"]
["60689055","CCC1CCCCN1C(CN)c1ccccc1Cl"]
["3809010","CC[C@H]1CCCCN1C(=O)C(O)=Nc1ccc(Cl)cc1"]
["MCULE-9958927385","Cn1cc(CN2CCCCC2CN=C(O)C2(C(F)(F)F)CC2)cn1"]
["96506252","BCCCC[C@@](N)(CCN1CCC[C@@H]1COC)C(=O)O"]
["MCULE-7897344282","COc1ccc(C(O)=NCC2CCCCN2Cc2ccc(OC)nc2)c(OC)c1"]
["199363688","CC(C)(C)C1=PC(C(C)(C)C)=C(C(C)(C)C)[PH2+]1.CC(C)(C)c1pc(C(C)(C)C)c(C(C)(C)C)[pH]1.[Pb+2]"]
["91451004","CC(C)(C)c1ppc(C(C)(C)C)c(C(C)(C)C)p1"]
["170522964","CC(C)(C)c1pc(C(C)(C)C)c(C(C)(C)C)[p-]1.CC(C)(C)c1pc(C(C)(C)C)c(C(C)(C)C)[p-]1.[Sn+2]"]
["145142370","Cc1nc(NC(C)(C)C)cc(NC(C)(C)CN)n1"]
["96998102","Cc1c(C(C)(C)C)[pH]c(C(C)(C)C)c1C"]
["88108167","CNC(C)(C)CCc1ccn(C)n1"]
["102962901","CC(C)(C)[C]1P=C(C(C)(C)C)[P-]1.[Cl-].[Sb]"]
["97472482","CC(C)(C)c1p[te]c(C(C)(C)C)p1"]
["198388173","CC(C)(C)C1=CC(CC(F)F)C=C1"]
["184532652","CN1CCc2nc(C(C)(C)C)ccc21"]
["184639394","CC(C)(C)c1c(C2CC2)nnc(Br)c1F"]
["56786951","C[C@H](c1ccccc1)[n+]1ccn([C@@H](SC(C)(C)C)c2ccccc2)c1"]
["79110169","c1ccc[se][se][se][se][se][se]cc1"]
["168733275","c1c2cccc3c#cc4cccc(c#1)c4c23"]
["99168597","CCS(=O)(=O)CC[n+]1ccccc1"]
["162891255","OC(=Nn1cccc1)C1CCCS1"]
["78281929","[CH2][CH2-].[Na+].c1ccccc1"]
["174723939","c1cc[se]c1.c1cc[se]c1.c1ccsc1"]
["153389183","CC#C[C@H](O)c1ccccc1"]
["177418236","NCc1ccc[se]1"]
["183113804","O[NH+](O)Cc1ccccc1"]
["74449397","Cl[P]Cl.c1ccccc1"]
["198801625","c1ccc[se][pH]cc1"]
["161559477","C[O-].[Li+].c1ccccc1"]
["51893650","Cl[Si]1(O[Si]2(O[Si]3(O[Si]4(Cl)CC=CC4)CC=CC3)CC=CC2)CC=CC1"]
["57108879","CO[Si]1(OC)CC=C(Cl)C1"]
["27057971","C[Si]1(Cl)C=CCC1"]
["96797075","C=CC[Si]1(CCCBr)CC=CC1"]
["25705693","C=C[Si]1(C)CC=CC1"]
["83248724","O=C(O)CO[Si]1(Cl)CCCC1"]
["26929763","C[Si]1(Cl)CC=CC1"]
["194645140","OC1=CCC(OC(F)(F)F)C(F)=C1"]
["26445433","C[Si]1(c2ccccc2)CC=CC1"]
["189098790","C[Si]1(I)CC=CC1"]
["68419433","CO[Si]1(OC)CC=C(C)C1"]
["65266300","C1=C[NH+]=NCCC1"]
["174584814","CSN(I)c1c(N(I)I)c(=O)c1=O"]
["162686308","CN(C)C(C)(C)C1=NC(=O)C(I)C=N1"]
["26972645","CN(CCSc1ccccc1)CCC(=O)O"]
["100819231","COCCN(C)c1c(O)c(=O)c1=O"]
["25856688","COc1c(Cl)c(=O)c1=O"]
["97606523","CSc1cc(=O)c1=O"]
["183370367","CSN([N+]([O-])=S)C(F)(F)F"]
["178074629","CSN(Cc1ccccc1)Cc1ccccc1"]
["91990053","CCCC1CCC(=O)C(CN(C)C(C)CSC)C1"]
["159299363","CSc1cc(I)c(C)c(S(N)(=O)=O)c1"]
["50606285","CN[C@H](CN(C)c1c(C(C)C)c(=O)c1=O)C(C)(C)C"]
["116854773","CC(CO)N(C)C(O)=NCCCSc1ccccc1"]
["170897983","[Fe+2].c1cc2ccc3ccc4nc5ccc6ccc7ccc(nc1nc2c3n4)[n-]c7c6[n-]5"]
["53107401","c1cc2ccc3noccc3c2n1"]
["MCULE-7984434511","COc1nc(=NC(=O)c2cccc(F)c2-c2ccc(OC)c(OC)c2OC)nc(OC)[nH]1"]
["96909785","CCn1c(-c2ccc3ccc4cccnc4c3n2)nc2cc(Cc3ccc4c(c3)nc(-c3ccc5ccc6cccnc6c5n3)n4CC)ccc21"]
["97629324","c1ccc(COc2cc(COc3ccc(CCc4ccc5ccc6ccc(CCc7ccc(OCc8cc(OCc9ccccc9)cc(OCc9ccccc9)c8)cc7)nc6c5n4)cc3)cc(OCc3ccccc3)c2)cc1"]
["101004169","C(=C\\c1ccc[nH]1)\\c1ccc2ccc3ccc(/C=C/c4ccc[nH]4)nc3c2n1"]
["187356834","C[n+]1cccc(NC(=O)c2ccc3ccc4ccc(C(=O)Nc5ccc[n+](C)c5)nc4c3n2)c1"]
["59632671","CC1=C/C(=C/NCc2ccccn2)C(=O)C(c2ccc3ccc4ccc(C5=CC(C)=C/C(=C/NCc6ccccn6)C5=O)nc4c3n2)=C1"]
["84169579","CNCc1ccc2ccc3ccc(CNC)nc3c2n1"]
["90029260","O=S1(=O)CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1"]
["60417586","Cc1ccc2ccc3cc(CCl)c(Cl)nc3c2n1"]
["164576769","O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccc(O)nc3c2n1"]
["78641627","I[PH]1=P2=P3=P4=PP4321"]
["99923538","OC12P=P1=[PH]2I"]
["173515120","IP1P2P3[P+]4=PP1234"]
["116299064","CC1P=[PH]1I"]
["100580928","I[PH]1=PC1"]
["78680966","I[PH]1=P2=PC21"]
["78641623","I[PH]1=PP1"]
["78641613","I[PH]1=P2=PP21"]
["78641629","I[PH]1=P2=P3=P[PH]321"]
["184253227","CN(C)C1C=[N+]=C=CS1"]
["178295824","CC(=O)N(C)[C@H]1C(N(C)C)[C@@H]1C"]
["138411352","CN(CCOCC1CC1)CN1CCSC1=S"]
["67711812","CN(C)[C@@H]1C[C@H]1O"]
["140482715","CCN(C)CN1C(=O)C2CC=CCC2C1=O"]
["79333848","[C]1=C=CSS1"]
["180507163","CN(C)C1CCC(N=NC2SC=CN2C)CC1"]
["185337889","CN(C)C1CC1I"]
["172022093","CN(C)C1OS(=O)OC1=O"]
["97450205","CN(C)[C@H]1CCC[C@@H]1N(C)C"]
["64370525","CN(C)C1CCCOC1O"]
["172497515","CN(C)[C@@H]1CNC[C@@H]1N(C)C"]
["180767605","[N-]1C2=C3I=C3[C@H]12"]
["76981441","FC1C2=C(CC2)C1F.N"]
["179995549","OC1=CN=I[N-]1"]
["178643319","CC(C)(C)C1=IC(O)=I[N-]1"]
["103965338","O=C(N[C@@H]1CN2CCC1CC2)c1ccco1"]
["66876514","Cl.O=C(NC1CN2CCC1CC2)c1ccco1"]
["MCULE-2676108554","Cc1cc(C2CC2CS)cc(C)n1"]
["179818625","CC1=I/C1=C\\Cl"]
["178473660","CC(=C=C1[CH-]SC(C)[N-]1)C1O[I+]1"]
["106272655","O=C(N[C@H]1CN2CCC1CC2)c1ccco1"]
["76421587","FC1C2=C(CC2)C1F"]
["19031074","Cc1[nH+]c(N(C)C)nc(N2CC[C@@H](O)C2)c1C"]
["76695760","CN(C)C(=O)C1=NN(C)C(=[NH+]c2c(Br)c(=O)n(C)n(C)c2=O)C1=[NH2+]"]
["57325838","Cc1cc(Br)ccc1N(C)C(=O)Cn1c(=O)cnc2ccccc21"]
["94883964","CCOC(=O)c1cnn(C)c1CN(C)C1CC1"]
["183716669","CN(C)Cc1cn(CC(=O)O)c(=O)n(N=[N+]=[N-])c1=O"]
["25725689","CCCCn1c(O)nc(C)c(Br)c1=O"]
["136977229","Cc1cc(S(=O)(=O)N(C)c2cnn(C)c2)c(C)cc1Br"]
["47554743","CCc1cc(Br)c(OC)c(C(=O)N(C)C)c1"]
["15669144","CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1"]
["133424550","CN(C)C(=O)c1ccc(NC(O)=NCC(C)(O)c2ccco2)cc1"]
["146001818","CN(CCC(=O)O)C(=O)Cn1cc(Br)cn1"]
["12651786","Cc1cc(=O)nc(-c2ccc(N=C(O)C3=NN(C)C(=O)CC3)cc2)[nH]1"]
["89981489","CN(C(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1"]
["173703696","[B+]=[O+][B-](=[B+])O[B-](I)=C([O-])I"]
["177069154","N#[N+]C(C=O)=C([O-])OI"]
["173900255","[B+]=[O+]CC([O-])=C[O-]"]
["75559655","COCOc1cc(OCOC)cc(C(=O)I)c1"]
["62922536","[B+]=[O+]C([O-])=C(C)[O-]"]
["196507595","O=C([O-])C(=O)Oc1ccc(I)cc1"]
["175591232","O=C([O-])c1ccccc1C(=O)I.[Na+]"]
["173714199","[B+]=[O+]C([O-])=CC[N-]CC(OC)OC"]
["185874238","COCC(CC(=O)C(=O)[O-])C(=O)[O-]"]
["26327421","ClC(Cl)=C(Cl)C(Br)OC(Br)C(Cl)=C(Cl)Cl"]
["91653580","O=C([O-])CC(CC(=O)[O-])C(=O)OCC(Cl)(Cl)Cl"]
["176227740","[B+]C(OC(C)[O-])C(=O)[O-]"]
["198368379","C1=CSC=C[C@@H](NC2C=NC/C=C\\C=C/2)C1"]
["83451638","O=C1N=C2C=CC=CC2SC1=Cc1ccc(C(=O)[O-])cc1"]
["173351440","COCc1ccc(CNC2C=CC=CC2)cc1.Cl"]
["83025490","O=C1N=CC(CC2C=CC=CC2)C=C1Br"]
["94842524","CCC1CN(C(=O)c2cccnc2NC)CCS1"]
["184961820","CNC(C)C1C=CC=CC1"]
["196447473","C/C=C/C(C)(C)CC1C=CC=CC1"]
["74874584","Cc1onc(C2C=CC=CC2)c1C(=O)Cl"]
["194635689","OC(=NC1C=CC=CC1)c1sc(C(F)(F)F)nc1C(F)(F)F"]
["101972711","CC1(C(O)=NC2C=CC=CC2)CSSC1"]
["173896697","[B]=B[C@H]1/C=C/CC[C@@](C)(C(=O)OC)CC1"]
["188831126","OCC(O)=NCc1cnc(OCC2C=CC=CC2)s1"]
["82814925","NC1CC(N2Cc3nn4nccnc4c3C2)CCC1C1CC(F)=CC=C1F"]
["93925267","CC1CN(c2nccn3nc(C(C)(C)C)cc23)CCC1N"]
["175139533","c1cc(N2CC3CCN[C@H]3C2)cc(NC2CCCC2)n1"]
["154831180","CN1CCCCC(N2CC(n3cc(C(=N)O)cn3)C2)C1=O"]
["125356224","O=C(c1cc(Cl)ccn1)N1CCC2C(CCC(=O)N2C2CC2)C1"]
["198001116","CC(=O)N1Cc2ccc(NCc3cccn4ccnc34)cc2C1"]
["MCULE-4350570906","Cc1c(C2CC2)nn(-c2c(F)ccc(F)c2F)c1N"]
["155594931","Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn([C@H]3CCCCO3)n1)O2"]
["95534635","Cc1nnc2c(N3CC4CCCC(N)C4C3)nccn12"]
["137696647","O=S(=O)(NC1CCc2ncnn2C1)c1cc(F)c(Br)cc1F"]
["89338245","CN(C)CC1CCN(C2CCC(N)C2)C1"]
["199516653","CSc1cc(Cl)nn2ccnc12"]
["102959494","C1=PCc2c[pH]cc21"]
["23646146","Br.Oc1cc2c(cc1O)NCC2"]
["54559223","[Au].[O-]c1cc2c(cc1[O-])CN(C(S)S)C2"]
["91443833","[B+]=C1C=PC[P-]1"]
["171649048","NCc1c[pH]cc1CN"]
["75388927","[c]1cc2c(s1)COCC2"]
["26120832","CC1=CC[Si]2(CC=C(C)C2)C1"]
["166401748","CN1Cc2cc(F)c(C(F)(F)F)cc2C1"]
["198374381","CC1CC=C(N)/C=C\\CC1O"]
["99112599","O=C(O)N1Cc2cc(I)c(CO)cc2C1"]
["108878593","Brc1cc2c([nH]1)CCOCC2"]
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["173530720","[B]C[SiH3].[GeH4]"]
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["161991306","C1CCOC1.[Se]"]
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["74812782","N=C(NO)c1cccc(COCCC(=O)O)c1"]
["174072281","Cl[SiH2]c1ccc(N(c2ccc([SiH](Cl)Cl)cc2)c2ccc(C(Cl)(Cl)Cl)cc2)cc1"]
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["159133981","C1=C[C@H](Nc2nccs2)CC1"]
["114327887","COCCN(C(=O)C1CN=C(O)CN1)C1CCSC1"]
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["184474922","CC(C)C1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1CC(C)C1C[C@@H]2C=C[C@@H](C1)N2S(=O)(=O)C1CC1"]
["156507684","CC(C)S(=O)(=O)N1CC[C@H](Cl)C1"]
["34420359","S=c1[se]c2c([se]1)[Se]C[Se]2"]
["171450346","CCOC(=O)c1[se]c(=S)[se]c1C(=O)OCC"]
["161424675","S=c1[se]cc[se]1.S=c1[se]cc[se]1"]
["4656150","S=c1sc2c(s1)SCSCS2"]
["156248108","CN1CCBC1=S"]
["84085062","S=c1sc2c(s1)[Se]CCC[Se]2"]
["25559571","S=C1C[PH](=S)P1"]
["91348087","CC1Cc2sc(=[Se])[se]c2C1"]
["42525950","S=c1[se]c2ccccc2[se]1"]
["164100611","CC(C)N1CCOC1=S"]
["102886466","S=C1CC2CC(=S)CC2C1"]
["96983674","[Se]=c1[se]c2c([se]1)[Se]CCC[Se]2"]
["56321997","C1=C2[N-]C(=CO2)C2=CSC(=Cc3nc(cs3)-c3csc1n3)[N-]2.[Pt+2]"]
["124017349","Cc1ccc(N2CCC(C(O)=Nc3nc(-c4ccccc4C)cs3)CC2)nc1"]
["62034715","COC1=CC(=O)C(=C2NN(C)C(C(F)(F)F)=C2c2csc(C)n2)C=C1"]
["120918366","CCC(CO)c1nc(-c2sccc2C)cs1"]
["157728889","Cc1nc([C@H]2CCCN2S(=O)(=O)c2cncc(C#N)c2)cs1"]
["22734433","OC1CCN(c2ccc(Br)cn2)C1"]
["5027348","CC(O)=NCCCc1ccc(-c2csc(N=C(O)c3cscn3)n2)cc1"]
["14480214","Cc1cc(-c2csc(N=C(O)C3CCCC3)n2)c(C)o1"]
["176038182","Cc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1.O=CC1CCCC1"]
["148530155","Brc1ccc(-c2csc(C3CCCO3)n2)nc1"]
["33608933","O=C(O)/C(=N\\O)c1csc(N2C(=O)CN=C2S)n1"]
["108649648","Cc1cc(-c2csc(Br)n2)n[nH]1"]
["149731917","C#[P+]C(=[NH2+])C#P"]
["175758181","COPC(=[NH2+])C(C)=O"]
["78370364","C#CC(C)=N"]
["55681618","C#CCCC(Cl)C(=O)[O-]"]
["183543553","C[AsH]C=C(C)C"]
["78424756","C#CNC(C)=NC"]
["10994355","C#CC(=C)C"]
["81885150","C#[P+][N-]C"]
["193771597","CC(N)=[NH2+].Cl"]
["95100957","C#C/C(C)=C/CCNC(C)(C)C"]
["176517731","C#CC.CN=C(C)N(C)C"]
["97607415","CC(O)=NC(N)=[NH2+]"]
["177096670","[B+]B([B+])B1OS([O-])([O-])OB(B=[B+])C12[B+]OS(O)(O)O[B-]2=[B+]"]
["101108252","COc1cccc2c1C=C(C(C)=O)C(C)(O)O2"]
["167253957","CCC/C=C/B(/C(I)=C/C1CCCCC1)C(C)(C)C(C)C"]
["173784528","[O-]S1([O-])O[B+]C2([B+]O1)[B+]OS([O-])([O-])O[B+]2"]
["174035759","O=S1(=O)O[B+]C2([B+]OS([O-])([O-])O2)O1"]
["150191804","[B+]B([B+])B1C2([B+]OS1([O-])[O-])B(B=[B+])OS(O)(O)[B-]2=[B+]"]
["161683333","C=[Si+]C[Si-]=C.[Sn]"]
["102904669","[CH2]CC#N.[HH].[Sn]"]
["99540000","C=[Si-]CC.[Cl-].[Mg+2]"]
["100865967","[2H][Ge]([2H])([2H])CC=C"]
["163798630","[CH2]CCC.[Sn].c1cscn1"]
["173213244","[2H]C(S)C=C"]
["84101108","C=NCCO[Si](C)(C)C"]
["91265223","C=CCC[O+]=[Si-]O"]
["97090732","[2H]C(=C)CI"]
["79039523","C=CC[SiH2]N(C)C"]
["174504271","[CH2]CC(C)O.[H].[Sn]"]
["26929156","C=[Si+]C[CH2-]"]
["99331449","COC(=CC[Si+]C/C=C/C[Si-]CC=C(OC)OC)OC"]
["78417548","CCC(=O)/C=C(/OC)C(C)=O"]
["42689094","CCCCCC=C(OC)OC"]
["91309169","COC(=O)CC(CC(=O)Cl)CC(=O)Cl"]
["165984104","COC1=CC(=O)/C(=C\\NNC(=O)C=C(Sc2ccccc2)Sc2ccccc2)C=C1"]
["163881624","COC(=O)C([N+]#N)=C(O)CC(=O)[O-]"]
["178347937","CC/C=C(\\C=C(/C[N+](=O)[O-])C(=O)O)OC"]
["173742874","C=C(Cl)/C=C(\\C)CNC"]
["150425303","C=NN=C(COC)OC"]
["90949638","C=C(CCC=CC(=O)OC)[Si](C)(C)C"]
["70419773","COC(=O)C=C(I)COCC#C[Si](C)(C)C"]
["199977281","[2H]C([2H])C([2H])([2H])CC(CC#C)(C(=O)OC)C(=O)OC"]
["193655298","NP/C(C(P)=C(P)P)=C(\\P)PP"]
["172815852","PPPPPPPPPPPP"]
["57005820","C[OH+]CPP"]
["102905240","N=C(N)PN"]
["173295130","C/C=C(/C=C(C)N)PP"]
["79299559","CC(=O)PN"]
["172865977","PPPPPPPPPPPPPPPP"]
["175070607","NOPP"]
["46838615","CC(=O)[B]CCCPP"]
["82283503","C=C(C)PP"]
["91240546","[Ce].[P]PPPP"]
["150730370","[P]PP"]
["48962389","ClC(Cl)[Si-]C([Si](Cl)Cl)[Si+](Cl)Cl"]
["177548760","CC1(C(O)Cl)CCC1"]
["68876743","FC(Cl)C(F)(F)OC(Br)C(F)(F)F"]
["57363977","CC(Cl)N(C)C(C)Cl.Cl"]
["99215119","C=CC(C=C)[Si](Cl)Cl"]
["99434921","CC(B(Cl)Cl)[Si](Cl)Cl"]
["99688935","CC[O+]=[Si-]C(Cl)Br"]
["163023709","CC(C)NCC(Cl)C1CCC1"]
["79343963","CO[SiH](OC)C(Cl)CC(C)C"]
["78153337","O=C(Cl)c1ccc([SiH2]C(Cl)Cl)cc1"]
["99466515","CCCC(OC(=O)C(C)CBr)[Si](Cl)Cl"]
["99201854","CCC(CC)[Si](Cl)Cl"]
["167218761","Cl[Se]1N=c2ccc3c(c2S1)S[Se]N=3"]
["79858342","O=C([O-])Cc1ccc2nn[nH]c2c1C(=O)[O-].[Ag+].[Ag+]"]
["81999776","OC1=NC2=CC(Br)C(NCc3cc(Cl)ccc3Br)=CC2=N1"]
["2178980","O=S(=O)([O-])c1ccc(Cl)c2nonc12"]
["183750332","O=[Se]1Sc2ccccc2[Se]1"]
["171102465","C[Si](Cl)(Cl)[Si](Cl)(c1ccccc1)c1ccccc1"]
["80594282","O=C1N=C(C=Cc2ccsc2)N=C([O-])C1[N+](=O)[O-]"]
["108426109","CN(CCC1=NC(=C2C=c3cc(Cl)ccc3=N2)ON1)C(=O)c1ccsc1"]
["128503849","Cc1ncsc1CCN1Cc2cccc(Br)c2C1"]
["172802064","Clc1cccc([SiH2]c2cccc(Cl)c2)c1"]
["43861485","ClN1NN=CN1c1ccccc1"]
["43160333","O=C(O)c1ccc2nn[nH]c2c1CCCl"]
["47043615","[B+]PNS[SeH]"]
["78440707","CCCNSC(C)(C)C"]
["187640098","C=CSNC(C)(C)C"]
["173838078","CSNCNSC"]
["172004519","[2H]B=[B-](N[B+])[B-](=[B+])N"]
["172058285","[2H]P(P)[B-]([3H])=[B+]"]
["79659310","OC=[SeH]S[SeH]"]
["44388417","[B+]PN=[C-]"]
["168715872","[B+]PC"]
["153047439","CSPC(C)(C)C"]
["78590086","CNSN"]
["169823254","CC(C)(O)CNSS"]
["97112003","n1s[s+]n[s+]1"]
["91020301","n1snc(-c2nsn[s+]2)[s+]1"]
["53362155","[C+]1=NOCN1"]
["91011898","N#Cc1sn[s+]c1C#N"]
["91340056","c1nsn[s+]1"]
["44666070","C1=NN=N[S+]=1"]
["91499651","FC(F)(F)c1ns[s+]n1"]
["75723506","C1=CN=C(c2cnns2)[S+]=1"]
["57062685","C1CN(c2ns[s+]n2)CCN1c1ns[s+]n1"]
["90963420","Cc1nsn[s+]1.[Cl-]"]
["25079792","O=[C]C(Cl)Cl"]
["91392695","c1ccc(-c2ns[s+]n2)nc1"]
["73723805","C1=NC=C2N=N[N]N2N=1"]
["52919973","CCC(C)n1ccc(CC(C)(O)CC=O)n1"]
["49720625","CCC(C)n1ccc(CC(N)c2ccc(Br)s2)n1"]
["161732371","C1=NC=C2N=NCN2c2ccccc21.Cl.ClCCl"]
["197476235","CC(N)/C=C/c1nnn(C(C)(C)C)n1"]
["162000308","NC1=CN=C=N[C]1C1CCCC1"]
["60106310","CCC(C)n1ccc(CC(N)CO)n1"]
["26952983","C[Si](C)(C)N1[N]N=C=N1"]
["180485084","CCCC(N[C@H](CC1=CN=C=N1)C(=[NH2+])O)C(=O)O"]
["105617190","Cn1ccnc1[C@H](N)c1ccc(Cl)s1"]
["184240722","CCC(C)C1=CN=C=NC=C1"]
["162489322","Cn1ncc(C(O)C(F)(F)Br)n1"]
["84112535","C1Cc2c(c3c4c(c5c(c6c4c2SS6)CCC5)[Se][Se]3)C1"]
["50751746","c1ccc2c(c1)[nH]c1c3cccnc3c3c(c21)CCC3"]
["100880585","Clc1ccc(-c2c3c(c(-c4ccc(Cl)s4)p2-c2ccccc2)CCC3)s1"]
["144864401","CC(C)(N)c1cc(Cl)cc2c1CCC2"]
["27185837","CC(C)(C)n1sc2c(c1=O)CCC2"]
["68616404","COC(=O)c1c([N+]#N)sc2c1CCC2"]
["MCULE-1105014082","FC(F)(F)Cc1n[nH]c2c1CCC2"]
["4989407","CN(c1ccc(O)cc1)c1ncnc2sc3c(c12)CCC3"]
["88108391","O=C(O)Cc1scc2c1CCC2"]
["89326933","Cc1c(Br)[nH]c2c1CCCCC2"]
["43254007","Cc1oc2ccc3oc(C)c4c3c2c1CCC4"]
["120488829","Cc1cccc2c1CCCC(=O)O2"]
["164578384","O=S1(=O)C2=C([GeH2]C=C2)C2=C1C=C[GeH2]2"]
["54454157","CNC1CC(C)S(=O)(=O)c2cc(F)c(F)cc21"]
["91260732","C[Si](C)(C1=CC=C([Ge](C)(C)C)S1(=O)=O)C1=CC=C([Ge](C)(C)C)S1(=O)=O"]
["52780306","O=S1(=O)C(c2ccc(F)cc2)=C1c1ccc(F)cc1"]
["144751874","CNCC1=NC(C)=CS1(=O)=O"]
["34615344","O=S1(=O)C(Br)=CC(Br)=C1Br"]
["178073802","CC1=CS(=O)(=O)OC=C1"]
["34013604","O=S1(=O)C=C(Br)C=C1Br"]
["161794789","O=[NH+]C1=[P+]([O-])CC=C1"]
["104597123","CN[C@H]1c2cc(F)c(F)cc2S(=O)(=O)C[C@@H]1C"]
["96647488","O=[N+](O)C1=C([N+](=O)O)/C=C\\CC/C=C\\1"]
["31400449","N=S1(=O)c2ccccc2C=Cc2ccccc21.O=C(O)/C=C\\C(=O)O"]
["49325620","[O-][N+](C(F)(F)F)(C(F)(F)F)C1(F)N=C(F)C(F)([N+]([O-])(C(F)(F)F)C(F)(F)F)C(F)([N+]([O-])(C(F)(F)F)C(F)(F)F)C1(F)[N+]([O-])(C(F)(F)F)C(F)(F)F"]
["60376924","FC1=NC(F)(F)C(F)(F)N1C(F)(F)F"]
["174146766","CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=C[NH2+]C=CC2=O)CC1"]
["169988810","OC(COc1ccc(Cl)c(F)c1)NC12CC(Nc3ccc(C(F)(F)F)nc3)(C1)C2"]
["79312771","C[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F"]
["171169380","O=c1c2nc(F)n([C@]3(c4c(F)c(F)c(F)c(F)c4F)O[C@](F)(C(O)(F)F)[C@](O)(F)[C@]3(O)[N+](=O)[O-])c2nc(N(F)F)n1F"]
["90970018","CN(C)c1nc(C(F)(F)F)c(F)s1"]
["186235837","FC(F)(F)C1(c2ccc(C(c3ccc(C4(C(F)(F)F)N=N4)cc3)(c3ccc(C4(C(F)(F)F)N=N4)cc3)c3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)N=N1"]
["176274207","O=C(OCC(COC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)COC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)c1ccc(C2(C(F)(F)F)N=N2)cc1"]
["MCULE-4753539495","NCC1C(c2cc(Cl)nc(C(F)(F)F)c2)C1(F)F"]
["94680644","CC1(C)C(O)CC1Nc1ccc(C(F)(F)F)nc1"]
["MCULE-7917269989","O=[N+]([O-])c1nc(C2C(CS)C2(F)F)ccc1O"]
["192974118","C#CCN=C(O)[B-]12OC(=C)C[C+]1CC(=O)O2"]
["52653419","C#CCN=C(O)COC(=O)[C@H](C)Oc1ccc(F)cc1"]
["4192106","C#CCN=C([O-])C=CC(=O)O"]
["51612543","C#CCN=C(O)COC(=O)[C@H](C)N=C(O)/C=C/c1ccccc1"]
["87524808","C#CCN(CC)C(O)=NCC(C)CCC(=O)O"]
["131940959","C#CCN=C(O)C(C)Nc1ccc(NS(=O)(=O)CC)cc1"]
["9577246","C#CCN=C(O)CNC(O)=NCCN=C(O)c1ccccc1"]
["MCULE-4454068921","C#CCN=C(O)CC[C@H](N)C(O)O"]
["165716155","C#CCN=C(O)CN=c1cc(C(C)(C)C)nc(C(C)C)[nH]1"]
["44839291","C#CCN=C(O)C(C)Oc1ccc(C(C)C)cc1"]
["197192269","C#CCN=C(O)c1ncc(COC)cc1C(=O)O"]
["90481563","CCCC(=O)CC(O)=NC1COC(=O)C1"]
["188966638","BC(B)(B)C1(c2ccc(CNC(=N)C3=C(C=N)/C(=C(\\C)C(C)=N)C(=N)S3)cc2)BOC1(B)B"]
["117837703","CCOC(=O)N1CCC(NC(=N)NCc2ccc(Oc3cccnc3)c(F)c2)CC1"]
["118335319","CN=C(NCc1cccc(N=C(C)O)c1)NCc1cc(C(C)C)no1"]
["117792425","CNS(=O)(=O)Cc1ccc(CNC(=N)Nc2ccc(C)c(C)c2)cc1"]
["69823520","CC1(C)OC(C(O)(c2ccccc2)c2ccccc2)C(C(NCc2ccccc2)(c2ccccc2)c2ccccc2)O1"]
["130261417","Cc1cncc(C(C)NCc2ccc(C(C)O)cc2)c1"]
["90605271","CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C=CC(=O)Nc1ccc(CNC(=N)O)cc1"]
["148279147","O=C(N[C@H]1CCC[C@H]1C(=O)O)c1ccc(CNC(=O)c2cccs2)cc1"]
["8114491","Cc1cccc(OC(=O)c2ccc(CNC(=N)O)cc2)c1"]
["66167645","CN(/N=C/c1ccccc1)C(=N)N[N+](=O)O"]
["60143067","CCc1ccc(S(=O)(=O)NC(CC)(CC)C(=N)NO)s1"]
["18521468","CC(O)=NCc1ccc(C(=O)NCCNC(=O)c2ccco2)s1"]
["83477244","C=II=C=II=C=II=C=II=C=II=C=II=C=II"]
["180210197","C=IC(C)(C)[N+]#CC"]
["174839283","NN(C#CCI)C(=O)O"]
["178940432","C=IC1C(I)[N+]1=O"]
["199380942","Br[C@H]1CC[C@H]2[C@@H](Br)CC[C@@H]1[Se]2=II"]
["180887336","N#CCC(O)=II"]
["56214897","I[C-]=C=II"]
["57223255","[CH-]=C=II"]
["161729565","O=C=II"]
["174821429","O=C(O)NC#CBr"]
["172105377","OOC(O)=II"]
["195312934","C=II=c1c(I)c(I)[c-](N)c(=II=C)[c-]1I"]
["100943083","C1#CCNCC#C/C=C2/CNCC2=[C+]1"]
["55056594","Cc1cccc(O)c1C(=O)OC1C(O)CC(C)C(O)C1O"]
["94728575","CC(C(O)=Nc1cccc2n[se]nc12)=C1CNC1"]
["67285906","Cc1cc(C2=CCCNC2)no1.O=C(O)C(=O)O"]
["120581423","Cc1cccc2cc3n(c12)C(=O)CNC3"]
["92595091","CC(C(O)=N[C@@H](C)c1cccc(C)c1)=C1CNC1"]
["15177518","[NH+]#Cc1ccc2c(c1)CNC2"]
["46016363","C1=NC=C2CNCC2=CC1"]
["91884461","CC(C(O)=NC(C)c1ccc(C)cc1)=C1CNC1"]
["175836244","N=C(O)c1cnn(-c2cccc3c2CCNC3)c1C(F)(F)F"]
["188170335","CC1=CC#CCC2=C1C=CCCN2"]
["156370097","C1=C2CNCC2=NC1"]
["100190175","[B+]1CCN(C2=[C-]CCC(N3CC[B+]N3)=[C-]2)N1"]
["178487949","[B+]=C1CC[C-]=C(O)C1"]
["11553079","COc1ccc2c(c1)CCN2c1cc(Cl)[nH]c(=N)n1"]
["195483685","FC(F)(F)C1=[C-]C(SO[I+]N2CCCC2)=[C-]CC1"]
["83530280","[B+]NC1=[C-]CCC(N[B+])=[C-]1"]
["174215112","O=C1NCC2=CCCCN2C1=O"]
["174108730","[B+]C1([B+])COC(C2=[C-]CCC(C)=[C-]2)CN1"]
["49510602","N=C(O)C1CCCCN1c1ccc(N)cc1Cl"]
["73993554","NC1CCN(/C2=C/CCCCCC2)CC1"]
["180322042","COC1=[C-]CCC(C[I+]I)=[C-]1"]
["62038745","NC1=C2CCCN2C2=CCCC[C@H]2C1"]
["193070736","N[Cl+]CC1=[C-]C(Br)=[C-]CC1"]
["186014053","[2H][N-]P(=[B+])(Br)I"]
["200043869","[2H][B-](=[B+])P"]
["193025186","O=P(Br)(Br)Br.O=P(Cl)(Cl)Cl"]
["191408038","[2H]I=P([O-])(I)ONC/C=C/CN"]
["183860036","O=P(Br)(Br)C(F)(F)F"]
["91403447","N=P(N)(N)I"]
["167290331","[B+]=P(C)(Br)C(C)(C)C"]
["191905879","S=P(Br)(Br)Br.[Br-]"]
["47624178","OP(=S)(Br)Br"]
["52239480","[2H]C([B+])[P-]"]
["193075891","O=P([O-])([O-])Br.[Ca+2]"]
["174578672","[B+]=P(C)(N)O"]
["178866980","Cc1cc(-[n+]2cc(C)cn3cc(C)cc32)n2cc(C)cc2c1"]
["47332966","Cc1nc(-c2cccc([NH2+]Cc3cc(=O)n4cc(Br)ccc4n3)c2)cs1"]
["76343331","Cc1ccc2n(c1)cc(-c1ccc(C=NNC(=N)N)cc1)[n+]2C"]
["175306986","CC.Cc1cc(C)[n+](F)c(C)c1"]
["MCULE-8998532913","COc1cc(-c2cc(N=C(O)Cc3c(C)cc(C)cc3C)c3nccn3c2)cc(OC)c1OC"]
["17599772","Cc1ccc2nc(C(C)(C)C)c(/N=N\\c3ccc([O-])c(C(=O)O)c3)n2c1"]
["89236076","Cc1cc(C)c(-c2ccc(C)n2CC(=O)O)c(C)c1"]
["154571854","CC[C@@H](CC#N)N=C(O)c1ccc2cc(C)cn2c1"]
["75780236","Cc1cc(C(C)O)n(C)c1"]
["162118343","Cc1cc(C(=O)O)n2nccc2c1"]
["84074182","CC(=O)c1c(C)cc2cc(C)c([N+](=O)[O-])cn12"]
["45275755","Cc1c(Cl)c([N+](=O)[O-])cc2c(=O)c(C(=O)O)cn(C)c12"]
["169727107","Bc1c(B)c(C(B)(B)B)c(B)c(B)c1C(O)=Nc1cc2cc(-c3cncn3C)ncc2cn1"]
["134023515","Cc1cccc(-c2cncc(C(O)=NC(C)c3cn(C)nc3C)c2)c1"]
["100372690","Cn1cnc(C(O)=NC(=N)C2(c3ccc(-c4cnc(N)cn4)cc3)CCC2)c1"]
["33688384","CC(C1C2CN(C(O)=Nc3ccccc3)CC21)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1"]
["136202281","Cc1ccc(-c2csc(N=C(O)c3cn(C)cn3)n2)s1"]
["MCULE-1361513221","CN1CCN(c2ccc(N=C(O)c3cc(F)c(F)cc3-c3cc(F)ccc3C#N)nc2)CC1"]
["MCULE-3561332473","COc1ccc(C)c(C(O)=Nc2cnccc2-c2cccn2C)c1"]
["MCULE-4833586920","CCOc1ccc(-c2cnc(N=C(O)c3cc(F)cc(C#N)c3)cn2)cn1"]
["MCULE-4163886985","Cc1cc(N=C(O)c2ccc(-c3cnccc3C)c(C)c2)n(C)n1"]
["136549178","Cn1nnc2cc(C(O)=Nc3nc4c(s3)CC(C(C)(C)C)CC4)cnc21"]
["177543063","C[C@@H]1CN(c2ncc(C(F)(F)F)cc2C(O)=Nc2ccnc(S(N)(=O)=O)c2)C[C@H](C)[C@H]1O"]
["126304861","Cc1nc(C)c(CCN=C(O)c2ccnc(-n3cncn3)c2)s1"]
["164334441","N#CC1=C(C#N)C(C#N)=C(C#N)B1c1cc2cc(B3C(C#N)=C(C#N)C(C#N)=C3C#N)c3cc(B4C(C#N)=C(C#N)C(C#N)=C4C#N)cc4cc(B5C(C#N)=C(C#N)C(C#N)=C5C#N)c(c1)c2c43"]
["25888827","COc1ccc2ccc(C#N)cc2c1"]
["114448038","Cc1cc(C#N)nc(N=[N+]=[N-])n1"]
["163115220","Cc1nc(C)c(-c2cc(Cl)cc(C#N)n2)o1"]
["145382198","N#Cc1cc(Br)c(O)c(C(F)F)n1"]
["199551796","N#CCC(O)=Nc1ccc2ccnc(O)c2c1"]
["155328216","CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C#N)c(C#N)cc4[nH]3)nc2n1"]
["192337834","CC(=O)CCCCCOc1ccc2c(ccc3c(C#N)c(C#N)c4ccc5cc(O)ccc5c4c32)c1.N#Cc1c(C#N)c2ccc3cc(OCCCCCC(=O)O)ccc3c2c2c1ccc1cc(O)ccc12"]
["159244710","CCc1cc(C#N)c(C)c(CC)c1"]
["171763966","[C-]#[N+]C1=C(c2cnc(F)nc2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1cnc(F)nc1)/C3=C(\\C#N)[N+]#[C-]"]
["183704038","N#CC1=C(Cl)C(=C=N)C(C#N)=C1C#N"]
["MCULE-2479666762","Cc1cc(O)cc(-c2cc(C)nc(O)c2C#N)c1"]
["179867296","B1=CC2C3C(C1)C1(C=[O+]1)C23"]
["178760846","CC1(C)[C@@H]2CC[C@@]13C=CCC2C3"]
["56469608","Cc1nnc(CNC2(CO)CCCC(C)C2)n1C"]
["163108482","N[C@]1(CO)CCOc2c(I)ccc(F)c21"]
["162283890","CC1C(O)C(O)CC2C1C2(C)C"]
["177513478","CC1=CC2C3C(Br)[C@H]1C[C@H]23"]
["147611143","O=C(O)C12C3CC4C5C3CC1C5C42"]
["163450958","CC1=CC[C@@H](O)[C@H](O)C1"]
["115275414","Cc1cc(Cl)ccc1CNC1(CO)CCCC(C)C1"]
["195994134","C1C[C@]23CC[C@H]2[C@H]1C3"]
["24464079","CC1(C#CCN(Cc2ccccc2)Cc2ccccc2)CCC2C(O1)c1ccccc1OC2(C)C"]
["114107701","CC1(C)C(C(=O)O)C1C(=O)N1C[C@@H](O)[C@@H](O)C1"]
["79244003","CCC1=C(C(C)C2C3C4C(C(C)C5C6C7C(C(C)C8C9C%10C(C(C)C%11C(C(C)C)[C@@H]%11CC(C)C%11C%12C(C%13C%14C(C%15C%16C(C(C)C%17C%18C%19C(C(C)C%20C%21C%22C(C(C)C%23C%24C%25C(C%26=C=C%26C)C%23%25%24)C%20%22%21)C%17%18%19)C%16%15)C%14%13)[C@H]%11%12)C8%109)C567)C234)C1C1=C=C1C(C)C1C2C3C(C(C)C4C5C6C(C7(N)C8C9C(C(C)C%10C%11=CC%11%10)[C@]987)C456)C123"]
["154166665","CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H]([C@@H]1C(C)C)[C@@H]1C=C(C)[C@@H](OC(C)=O)[C@@H](O)[C@H](OC(=O)CCC)[C@@]1(C)C[C@H]2OC(=O)CCC"]
["199842037","Cc1cc(C)c2c(C)cc(C3=C=CC=C4c5oc6ccc(CC(C)C)cc6c5C(C)(C)C34)nc2c1.[CH2-]C(=O)/C=C(/C)O.[Ir]"]
["CNP0324082.1","C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2C12C4O[C@H](C(C)C[C@@H]5C(=O)[C@]67[C@H](O)[C@H]5CC[C@H]6[C@@]56COC7(O)[C@@H](O)[C@@H]5C(C)(C)CC[C@@H]6O)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)C3(O)O4"]
["149887732","CCCC1C=C(C(C)C)C([N+]2=C[N+](C)(C3C(C(C)C)=CCCC(CC)C3(CC)C(C)C)C=C2)C(C(C)C)C(CC)=CCC1"]
["33648821","CCCC(=O)O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)C(C)=C[C@@H]2C3[C@@H](C(C)C)[C@@H](OC(C)=O)C[C@@]3(C)[C@@H](OC(=O)CCC)C[C@]21C"]
["163637178","CCN(CC)c1cc(C2NNC3CCC(OC4(C)CC4)CC32)ncn1"]
["175455479","C=C[C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1(N)CC[C@@H]2C/C=C2/C[C@@H](OC(=O)CCCCCCCC)CC[C@@]21C"]
["32634345","CCC[C@H](C)c1oc([C@H](C)/C=C(\\C)[C@H]2OC(C)(C)O[C@@H]([C@@H](C)c3oc(CC)c(C)c(=O)c3C)[C@H]2C)c(C)c(=O)c1C"]
["62171971","CCCC(=O)OC1[C@@H](O)[C@@H](OC(C)=O)C(C)=C[C@@H]2C3[C@@H](C(C)C)[C@@H](OC(=O)CCC)CC3(C)[C@@H](OC(=O)CCC)CC12C"]
["188633403","C=C1C(=O)[C@@]23C(CC[C@@H]1[C@H]2O)[C@]12[C@H]4O[C@H]([C@H](C)CC5C(=O)[C@]67[C@H](O)[C@H]5CC[C@H]6[C@@]56CO[C@]7(O)[C@@H](O)[C@@H]5C(C)(C)CC[C@@H]6O)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@@]3(O)O4"]
["90541964","CCCC(C)c1oc(C(C)C=C(C)C2OC(C)(C)OC(C(C)c3oc(CC)c(C)c(=O)c3C)C2C)c(C)c(=O)c1C"]
["198593077","CN(c1ccc(-c2ccc(-c3cnn(C4CC4)n3)c3c[nH]nc23)nn1)[C@H]1C[C@@H]2CC[C@](C3CCCC(N(c4ccc(-c5ccc(-c6cn[nH]c6)c6ncsc56)nn4)C4CC4)C[C@@H]3N)(C1)N2"]
["169869320","Cc1cc2cc(n1)-c1cnn(C)c1OCCC[C@@H](C1CC1)Cn1c(nc3cc(N(C)C4CCC(C=[N+](C)C)CC4)ccc31)N=C2O"]
["173883177","C[C@@H]1CC[C@H](C)CC(N(C)c2ccc(-c3ccc(-c4cc(O)nc(F)c4)cc3O)nn2)C1"]
["82145164","CC(C)CC(C(=N)O)N(C(c1ccc(-c2csc(-c3cn[nH]c3)n2)cc1)C(F)(F)F)C1(C#N)CC1"]
["198462447","Cc1ccn(-c2ccc(-c3ccc(OC4CC5NC(C)(C4)CC5C)nn3)c(O)c2)n1"]
["177977089","CN(c1ccc(-c2ccc(-n3nccn3)cc2O)nn1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2"]
["78920038","CN(C)CCOc1cc(-c2cn[nH]c2)ccc1N=C(O)C1COc2ccccc2O1.Cl.Cl"]
["CSSS01262383057","c1cc(-c2cn[nH]c2)ccc1NC1COC2(CCC2)C1"]
["172769832","CC(C)(C)ONc1c(C#N)cnc2c(I)cc(NC(c3cn(C4CC4)nn3)c3cccc4ncsc34)cc12"]
["175952164","C[C@H]1CCCN1.Cc1cc(-c2cn[nH]c2)cc2c(N3CCc4ccc(N=CO)cc4C3)ncnc12"]
["187308959","C=CC(=O)N1CC2(CCN(c3nc(N4CC[C@H](N5CC[C@H](OC)C5)C4)nc4c(OCC(F)(F)F)c(-c5c(C)ccc6n[nH]cc56)c(C5CC5)cc34)CC2)C1"]
["188062692","CN(c1ccc(-c2ccc(-c3cncc(N=O)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1"]
["173337061","C1=CC2=Nc3ccc(-c4c(C5=CC=NN6Cc7ccccc7N=C56)cc5c(c4C4OOc6ccccc64)OC(c4ccc6c(c4)COO6)O5)cc3CN2N=C1"]
["170208931","C=C1CCC(N2Cc3cc(C[C@H]4CCCC[C@@H]4NC4COc5ccccc5C4)ccc3C2=O)C(O)=N1"]
["MCULE-2703430403","O=C(OCC1c2ccccc2-c2ccccc21)N1c2ccccc2CC1C(O)=Nc1cc(-c2ccc3c(c2)OCCO3)cn2ccnc12"]
["46569419","C[C@H]1CN(CCC(O)=N[C@@H]2CCCc3ccccc32)Cc2ccccc2O1"]
["73528107","O=C(O)C1CCN(C(=O)/C=C/c2cc[c]c([N+](=O)[O-])c2-c2ccc3c(c2)CCOO3)CC1"]
["78499034","Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4N=C3O)CC2)C(=O)N2CCC(C3CCN(CC(O)=NO)CC3)CC2)ccc1O"]
["31281307","COC(=O)C(CC(=O)N1CCC(N2Cc3ccccc3N=C2O)CC1)Cc1ccc2nc(O)oc2c1"]
["76750542","O=c1c(=Cc2cc(Br)c3c(c2)OCO3)sc2n1C(c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1"]
["175488813","CC[C@H](C)C1C(O)=Nc2ccccc2CN1C(=N)N"]
["MCULE-1664118807","Cc1ccnc(N=C(O)C2COc3ccccc3C2)c1-c1cccc(OC(C)C)c1"]
["147342804","O=C(O)[C@@H]1CN(C(=O)CC2Oc3ccccc3N=C2O)C[C@H]1C(F)(F)F"]
["69269964","CC1COC(c2ccccc2)C(C)N1C(=O)c1ccc2c(c1)COCO2"]
["174233318","OCCc1cc2c(O)c(c1)C=NC1CCCCC1Nc1cc(CO)cc(c1O)C=NC1CCCCC1N=Cc1cc(CCOO)cc(c1O)CNC1CCCCC1N=C2"]
["27780490","CC(=O)c1n[nH]c2ccc(-c3cc(CCC(=O)O)ccc3OC3CCCC3)cc12"]
["89482803","CC1NCc2ccc(CO)cc21"]
["193010558","O=C(O)[C@H](Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)N=C(O)c1ccc(O)c(N=CO)c1.S"]
["77874060","CN1C(=O)N=C(O)C12Cc1ccc(NC(=O)CN(C(=O)C(C)(OCc3ccccc3)C(F)(F)F)C3CCCCCC3)cc1C2"]
["151394768","CC1=C2C(=O)C[C@H](c3ccccc3O)CC2=N[C@H]2CCCC[C@H]2N1"]
["183139214","O[C@@H]1CCC[C@H]1C1NCc2ccc(Cc3ccc(-n4cccn4)cc3)cc21"]
["29212558","CCOc1ccc(-c2ccc(CCO)c(O)c2C(=O)OC)cc1OCC"]
["155440523","COCCN=C(O)[C@@H]1CCCC[C@@H]1c1nc2ccc(CO)cc2[nH]1"]
["175719752","O=C1OP(C2N[C@@H]3CCCC[C@H]3N2)OC(=O)C1(F)CCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]
["97302964","C1=N\\[C@@H]2CCCC[C@H]2/N=C/c2c3ccccc3c(c3ccccc23)C2N3C(c4c5ccccc5c(c5ccccc45)/C=N/[C@@H]4CCCC[C@H]4/N=C\\c4c5ccccc5c/1c1ccccc41)N2[C@H]1CCCC[C@@H]13"]
["4008878","Clc1cccc(CSC2=N[C@H]3CCCC[C@H]3N2)c1"]
["193348080","B#[B-][B+]c1ccc(-c2c(F)cc(Cc3cc(F)c(-c4ccc([B+][B-]#B)s4)c4c3=NCN=4)c3c2=NCN=3)s1.B#[B-][B+]c1ccc(-c2cc(F)c(Cc3c(F)cc(-c4ccc([B+][B-]#B)s4)c4c3=NCN=4)c3c2=NCN=3)s1.B#[B-][B+]c1ccc(-c2cc(F)c(Cc3cc(F)c(-c4ccc([B+][B-]#B)s4)c4c3=NCN=4)c3c2=NCN=3)s1"]
["MCULE-2644437864","CS(=O)(=O)N1CCC(N=C(O)c2cc(F)c(-c3ccc(C#N)s3)c(F)c2)CC1"]
["MCULE-1554018604","N#Cc1ccc(-c2cc(F)c(F)cc2NC(=O)C2CCC(=O)CC2)s1"]
["136237638","CCN(C1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)S(C)(=O)=O"]
["74323091","Fc1cccc(Cl)c1C1=C(NCC(F)(F)F)[N+]2(Cl)N=CN=C2N=C1"]
["176258199","C#C.Nc1ccc(-c2cncc(CN3CCC(F)(F)C3)c2)cc1Cc1nc2[nH]ccc(-c3ccc(F)s3)c-2n1"]
["130669883","N=C(O)C1CCC(CN=C(O)Nc2ccc3nc(C4CC4)sc3c2)O1"]
["172374196","Cc1nnc([C@]23C[C@@H](C)C[C@H](C2)N3C(O)=Nc2cc(-c3ncc(F)cn3)c(C)cc2F)o1"]
["155905141","C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(I)cc(Cl)cc23)N1"]
["172627664","CCCCc1c(Cc2c(F)cc(-c3ccccc3)c(C3=NN=C(O)C3)c2F)c(=O)nc2nc[nH]n12"]
["MCULE-1497327876","COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)s2)c(F)c1F"]
["74745605","CC(C)(O)c1cc(F)c(-c2cc(C=O)c(Nc3ccnc(CO)c3)s2)c(F)c1"]
["179314477","CN1CCC(n2cc(-c3cncc(-c4cc(=C5C=C(Cl)CCC5=[F+])nc5c4=CC=C=N5)c3)cn2)C1"]
["MCULE-3017264498","Cc1ccc(N=C(O)C(C)n2cc(-c3cnn(C4CCOCC4)c3)cn2)c(C)n1"]
["187748276","Brc1cnc(-c2cnn(C3CCCCO3)c2)c2[nH]ccc12"]
["MCULE-3270511256","COc1cncc(N=C(O)c2ncc(F)cc2-c2cnn(C3CCOCC3)c2)c1"]
["MCULE-1705062609","COc1ccc(N=C(O)Cc2cc(-c3cnn(C4CCOCC4)c3)ccc2OC)nc1"]
["88442201","Ic1ccccc1-c1cnn(C2CCCCCC2)c1"]
["99791742","CC(=O)OC(C)(C)C(=O)N1CC[N+](=c2ccc(C)c(-c3ccc4c(c3)N(C)S(O)(O)N4CC3CC3(F)F)n2OC(=O)C(F)(F)F)CC1"]
["125392616","CN1CCC(CNS(=O)(=O)c2cnn(C)c2)C1c1ccc(Cl)c(F)c1"]
["45620956","CN1CCCC(Nc2cc(C(=O)O)ccn2)C1"]
["104261009","CCn1cc(S(=O)(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)cn1"]
["MCULE-9981865027","Cc1cc(NC(=O)Cn2cnnn2)ccc1-c1cnn(C2CCOCC2)c1"]
["MCULE-2030027637","COc1ccc(-c2cnc3c(c2)CCN3C(=O)c2cn(C)cn2)c(OC)c1"]
["44207786","CO[Si](C[Si](C)(C)O[Si](C)(C)CCC[B]P(I)C[Si](C)(C)O[Si](C)(C)C[Si](C)(C)C)(OC)OC"]
["162083387","C1=CC=CNC=C1.CCCCCCCCCC[Si](OC)(OC)OC"]
["51937646","CCCC[Si](CC)=[O+][Si](O[Si-](CC)CCCC)(O[Si](C)(C)CCCC)O[Si](C)(C)CCCC"]
["78363752","BNCCC[Si](C)(C)O[Si](C)(C)C"]
["181253029","CCCC[Si](C)(C)O[Si](N=[N+]=[N-])(O[Si](C)(C)C)O[Si](C)(C)C"]
["187397690","CO[Si](CC=CCCC[Si](OC)(OC)OC)(OC)OC"]
["47937444","CCCCCCCCCCCCCCCCCC[Si](C)(CO)OC"]
["65694730","CCC[Si](C)(C)O[Si](C)(C)CCCN"]
["189844435","CCCCCCCCCCCCCCCC[Si](C)(C)OC[Si](C)(C)OO[Si](=O)OO[Si](C)(C)CO[Si](C)(C)CCCCCCCCCCCCCCCC"]
["175175844","CCCCCCC(OC)(OCC)C(OCC)(OCC)[Si](OC)(OC)OC"]
["171481391","CCCC[Si](OC)(OC)OCC1(CCC)OC(CC)O1"]
["79178260","CO[Si](CC[O])(OC)OC"]
["97046453","O=c1cc2cc([O-])[c+]3c(=O)cc4[cH+]c(=O)c5c([O-])[cH+]c6cc([O-])c1c1c6c5c4c3c21"]
["78202648","Cc1ccc([O-])c(-c2nc(OC(=O)[O-])c(OC(=O)O)s2)c1.[Na+].[Na+]"]
["188140755","CON1C(=O)C2(CCCCC2)n2c(cc3c[nH]c(=Nc4ccc(S(N)(=O)=O)cc4)nc32)C1O"]
["173465002","C=C/C=C(\\C=C)Nc1cc(=O)c2c(C)cc(OCC)nc2n1-c1ccccc1"]
["MCULE-3648465622","Cc1c(NC(=O)c2c(C)c3cc(Cl)ccc3oc2=O)cccc1[N+](=O)[O-]"]
["179582118","CC1c2cccc3cncc(c23)C2=C3C(=O)N4C(=C3C(=O)N21)c1cncc2cccc(c12)C4C"]
["20609006","Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)[O-]"]
["29670740","O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC(O)=Nc3ccccc3)cc(C(F)(F)F)c12"]
["59248698","CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1"]
["104442778","Oc1cccc2ccc(/C=C\\c3ccc(-c4cccc(Br)c4)o3)nc12"]
["117300975","CCOc1ccc(S(=O)(=O)Oc2ccc3oc(C)nc3c2)cc1"]
["80558092","O=C1N=C([O-])C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccc(Cl)cc1"]
["27281503","[3H]c1nc2c([3H])c(Cl)c([3H])c([3H])c2c(N([3H])C([3H])(C([3H])([3H])[3H])C([3H])([3H])C([3H])([3H])C([3H])([3H])N(C([3H])([3H])C([3H])([3H])[3H])C([3H])([3H])C([3H])([3H])[3H])c1[3H]"]
["59936319","Clc1cnc(NCC2Cc3ccccc3O2)c(Cl)c1"]
["159480570","CC(C)CCN=C(S)Nc1ccc(Cl)cn1"]
["32403510","O=C(Nc1ccccc1Cl)c1cccnc1S(=O)Cc1ccccc1"]
["91834512","CC1(C)C(O)CC1Nc1ncc(Cl)cc1Cl"]
["94462713","COc1cccc(CC(N)c2ncc(Cl)cc2Cl)c1F"]
["192095306","Cc1ccc(-c2nc(Cl)nc3ccc(Cl)cc23)cc1.Cc1ccc(-c2nc(NC(=N)NO)nc3ccc(Cl)cc23)cc1"]
["55166951","CC(C)CNCc1nc(Oc2cncc(Cl)c2)ccc1Cl"]
["51122849","Cc1c(Cl)cccc1NC(S)=NC[C@@H](c1ccccc1Cl)N(C)C"]
["87825533","CC(CN(c1ccc(Cl)cn1)C(C)C(=O)O)C(=O)O"]
["125482181","CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2Cl)c2ncccc12"]
["94353095","COc1cc(OC)cc(C(NN)c2ncc(Cl)cc2Cl)c1"]
["179673269","CCC1=[C-]C(N(C)N)C=[C-]C1=CCC1=[C+]C=C(N(N)N)C=C1CC.[Os]"]
["173642992","CC.[B+]=C1[C-]=CC(C)C(CN(CCC)C(=O)c2ccccc2)=C1"]
["100454754","CCc1cc(N)cc(Cl)c1N(C)C1CCCCC1"]
["93604453","CCN(C)C(O)=Nc1c(Cl)cc(F)cc1Cl"]
["94059819","CCc1ccc(CC(=O)c2ccc(Cl)s2)s1"]
["163556716","CCC/C(C)=C/N(C)CNC1C=C1CC1CCC1"]
["15372718","CCOC(=O)N(C)c1ccc(N=C(O)c2ccc(CN=C(C)O)s2)cc1"]
["178883540","CCC/C=C1/CC1CC=N"]
["174083282","[B+]=C1[C-]=CC(CC)C(CCC)=C1"]
["107105278","CCSc1ccc(Cl)cc1-c1csc(-c2cccc(N)c2)n1"]
["193186570","CC=C1[C-]=CC=C(CC)[C]1CC.[Al].[Li+]"]
["111862395","CCc1cc(C#CCN)ccc1N1C(=O)C(C)C(C)C1=O"]
["178871320","O=S(=O)(C1=NN=CC1)c1ccc2[nH]ccc(=Nc3ccc4scnc4c3)c2c1"]
["200604891","CCOc1cccc2cc(CNCCCCOc3ccc4scnc4c3)oc12"]
["7148670","COc1ccc(N=c2cc(C(=O)N3CCC[C@H](C)C3)[nH]c3cc(OC)c(OC)cc23)cc1"]
["164619658","Cc1cc(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)ccc1-c1ccc2[nH][nH]c(=N)c2c1C"]
["MCULE-5436983296","COc1ncc(OC)c(=NC(=O)c2ncc(F)cc2-c2cccc3[nH]ccc23)[nH]1"]
["168259180","O=S(=O)(N=Nc1c(O)[nH]c2ccc(F)cc12)c1ccc(Br)cc1"]
["169991943","C1=C(c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)CCC2(C1)OCCO2"]
["MCULE-9750661993","CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)N=c1cc[nH]c2ccccc12"]
["100626424","CN=c1cc(C2CC(NS(=O)(=O)c3ccc(OC)c(F)c3)C2)nc[nH]1"]
["116383277","CCN=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCC(OCC2CCCCO2)CC1"]
["187734887","Cn1c(=O)c2c(c3cc(N=c4[nH]c(N5CC(F)C5)ncc4Cl)ccc31)NC(C1CC1)C(F)(F)CO2"]
["3143921","NS(=O)(=O)c1ccc(-c2nc(=O)c3sccc3[nH]2)cc1"]
["174960276","Cc1cc(C(C)(C)C)c(C)cc1-n1ccc2cc(-c3ccc4c5cc[c-](C(C)(C)C)cc-5cc4c3)ccc21.[Cs+].[Cs+]"]
["66052208","CC(C)(C)c1ccc(-c2cc3c4ccc(-c5ccc6c(c5)c(-c5ccccc5)cc5c7ccccc7c(-c7ccccc7)cc65)cc4c(-c4ccc(C(C)(C)C)cc4)cc3c3ccccc23)cc1"]
["MCULE-5244600304","COc1nc(C)nc(N(C)C(=O)Cc2ccc(-c3ccc4c(ccn4C)c3)cc2)n1"]
["MCULE-4053917243","Cn1ccc2cc(-c3cc(N=C(O)C4CC(F)(F)C4)ccc3F)ccc21"]
["176879186","CC(C)(C)O.Cc1cc2nc(-c3cc(-c4ccc5c(cnn5C)c4)ncc3C(F)F)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O"]
["145358690","COc1c(CNC(C)(C)C)cc(N=C(O)c2ccc(C)c(-n3cc(-c4c[nH]nc4C)nn3)c2)cc1C(C)(C)C"]
["49849126","COc1c(-c2ccc3c(c2)CCC3CNS(=O)O)cc(-n2ccc(O)nc2=O)cc1C(C)(C)C"]
["198458275","Cc1cc([Si](C)(C)C)c(C(C)(C)C)cc1-c1cccc[n+]1C"]
["MCULE-2306042580","COc1cccc(C#N)c1-c1ccc(C)c(N=C(O)c2cc3ccccc3n2C)c1"]
["184810296","CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccccc6)ccn5)c4)cccc32)c(C(C)(C)C)c1"]
["MCULE-5656931370","Cc1ccccc1CN1CCN(C(=O)c2ccccc2-c2ccc3c(ccn3C)c2)CC1"]
["183850067","COC1(C(=O)O)CN(C(C)(c2ccccc2)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1"]
["79108327","O=C(c1cc(N(I)C(=O)OCCCOC(O)=Nc2c(I)c(C(=O)N(O)CCCO)c(I)c(C(=O)N(O)CCCO)c2I)c(I)c(C(=O)N(O)CCCO)c1I)N(O)CCCO"]
["180483813","CNCC(O)C(O)C(Oc1c(I)c(N=C(C)O)c(I)c(C(=O)O)c1I)C(O)CO"]
["101201860","CC(C)(C)c1cc(COC(=O)CCCOC(O)=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1"]
["25535710","CCCCCCCCCCCCOC(O)=Nc1cccc(O)c1C(=O)O"]
["23622881","CC(=O)N1N=C(N=C(C)O)SC1c1cc(C)ccc1OCCCOc1cccc(C)c1"]
["26499261","CCCCOC(=O)c1ccccc1C(O)=Nc1nc2ccccc2[nH]1"]
["85807660","CC(CCCO)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1"]
["5895654","COc1ccc(/C=C/C(O)=Nc2ccc(C)cc2C(=O)N(C)C)cc1OC"]
["MCULE-2546891206","CCCCOC(=O)COc1cn(CCOCCO)c(CNc2ccc(N=C(C)O)cc2)cc1=O"]
["181735996","CN(C)NC(O)=Nc1cocc1C(=O)[O-]"]
["50194654","COc1ccc(S(=O)(=O)N(CC(O)=NC(C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1OC"]
["121149167","CC(C)N(C(=O)c1cc(N=C(O)OCC(F)(F)F)ccc1O)C1CCCC1"]
["82280376","B=BB=BB=BOc1c(OB=BB=B)cc(/C=C/c2ccc(/C=C/c3cc(OB=B)c(OB)c(OB=BB)c3)cc2)cc1OB=BB=BB"]
["183234","COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1N"]
["66654228","COCOc1c(Br)cc(C=Cc2ccc([N+](=O)[O-])cc2)cc1OC"]
["60679636","CC(=O)Oc1ccc(/C=C2/Oc3c(ccc(OC(C)=O)c3OC(C)=O)C2=O)cc1OC(C)=O"]
["33292089","CC(C)(O)CCCCc1ccc(/C=C/c2cc(O)cc(O)c2)cc1"]
["MCULE-4272211982","COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cc(Cl)ccc3OC)c(OC)c2)c(OC)c1"]
["163968121","O=S(=O)(O)Oc1cc(O)cc(/C=C/c2ccc([O-])cc2)c1.[Na+]"]
["25144933","C(=Cc1cccc(OCc2ccc3ccccc3n2)c1)Cc1ccc(C=Cc2nn[nH]n2)cc1"]
["96837782","CC(C)c1ccc(/C=C/c2ccc(/C=C/c3ccc(C(C)C)cc3)cc2)cc1"]
["67897946","COc1cc(/C=C\\c2ccc(OC)c(N)c2)cc(OC)c1.N=c1n[n+]([O-])c2ccccc2n1O"]
["32089076","COc1cc([C@H](O)[C@H](C)Oc2ccc(/C=C/c3ccccc3)cc2)cc(OC)c1OC"]
["91517771","COc1cc(C=Cc2ccc(Cl)cc2)cccc1=O"]
["171760868","FC(F)(F)OC1(COOOCOC2(OC(F)(F)F)OC(F)(F)OC2(F)F)OC(F)(F)OC1(F)F"]
["25913309","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F"]
["56518951","CC(F)(F)C1(F)OC(F)(F)C2(C(F)(F)O1)C(F)(F)OC(F)(C(F)(F)OCF)OC2(F)F"]
["192003447","CC1(F)OC(F)(OCC(F)(F)F)C(C)(C(F)(F)F)OC1(F)F"]
["170852010","CC(C)(CO)CO.CC1(COCC(F)(F)C(F)(F)F)COC1.F[B-](F)(F)[O+]1CCCC1"]
["198446063","CC(F)(F)C1(F)OC(F)(F)OC1(F)CF"]
["161335664","FC(F)(F)[C-]=[O+]C/C=C/C(F)(F)F.FC1(F)[N-]C(F)(F)C(F)(F)OC1(F)F.[Cf+]"]
["111705271","CC(=O)C1(CCOC(F)(F)F)CCOC1=O"]
["24251719","CCOC(=O)c1ccc(NC(=O)C(F)(F)C2(F)OC(F)(F)C(F)(F)C2(F)F)cc1"]
["173379747","CCC1CCC(F)(OCC(F)(F)C(F)(F)F)C1(F)OC(F)(F)F"]
["68886015","OC1(O)C(F)(F)OC(F)(F)OC1(F)F"]
["46714681","CCC1(F)CC(F)(F)OC(F)(F)C1(F)C(F)(F)F"]
["68897229","N=C1NC=c2ccc3c(c2N1)C=CC(O)(C#CCl)C=3"]
["153009264","O=C1Nc2c(I)ccc(Cl)c2C1=O"]
["178701214","OC1(c2ccc(Cl)cc2)C=CCC1"]
["177185808","CN(C)C(O)=NC1(O)C=CC(Cl)=C(Cl)C1O"]
["173723450","C[C@H](O)[C@H]1O[C@@H](n2ncc(=N)nc2O)[C@@](O)(C#CCl)C1O"]
["67343734","N=C1NC=CC(N)(c2ccccc2Cl)N1"]
["172912393","C[C@H](O)[C@H]1O[C@@H](n2cnc3c[nH]c(=N)nc32)C(Cl)(C#CCl)[C@H]1O"]
["26590600","C#CC1(c2ccco2)NC(O)=Nc2ccc(Cl)cc21"]
["184414099","CC1(O)C=CC=CC(c2ccc(C(=O)Cl)s2)=C1"]
["74651298","N=C(O)C1C=CC2=C(C1)N=c1ccccc1=CN2"]
["28979441","O=C1C=CC(c2ccc(Cl)cc2)(c2ccc(C(=O)O)nn2)C=C1"]
["73564097","C#CC(O)C1(O)C=C(Cl)C(c2ccccc2)C(Cl)=C1"]
["64531832","CC1[Si+]2C3[Si-](C)C4(C)[Si](C)(C)C5(C)[Si]6(C)C(C)(C)[Si]1(C)C26[Si]345"]
["60825412","CC1O[Se](O)C(C)(C)C1C"]
["86963017","CC1CC1C(=O)C1(C)CCCS1"]
["156961214","C[C@@H]1C[C@@H]1C(=O)[C@@]1(C)CCCS1"]
["98284910","CC1OC2C(C)C2(C)C1C"]
["156999036","CCOC[C@@]1(C)N[C@@H](C)CCS1"]
["177945824","CC1B2CCC3(C)CB3C21"]
["122383373","CC1CN(C)CC(C)N1C(=O)C1C(C)(C)C1(C)C"]
["75368824","CC12OC(=O)CC1C(O)=NC2(C=O)CO"]
["74964610","CC1=C2OC2(C)C(C)C=C1"]
["55634405","CC1CC2C=C3C(=CC2C1[Si]1(C2C(C)CC4C=C5C(=CC42)C(C)(C)CCC5(C)C)CCC1)C(C)(C)CCC3(C)C"]
["157800745","C[C@@H]1[C@@H](CBr)C1(C)C"]
["194811769","O=C(C1CCCC(Cl)C1)C1CC2CN(S(=O)(=O)C3CCC4OCCOC4C3)CC2CN1"]
["158244078","CC(C)C1(NS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CC1"]
["113706916","Cc1n[nH]cc1S(=O)(=O)N1CCCC(CNCC(=O)O)C1"]
["102586346","CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C"]
["67222957","CCC1CN(S(=O)(=O)N2CCCCC2CO)CCO1"]
["55293543","O=C(O)C1CC(O)CN1C(=O)C1CCCCCN1"]
["143329244","Cc1nc(C(=O)N2CC3CCCCC3C2)nn1-c1c(Cl)cccc1Cl"]
["155008571","C[C@@H]1C[C@@H](CN)CN1C(=O)[C@H]1CCCCO1"]
["6271376","O=S(=O)(C1CCCC1)N1CCO[C@@H](c2ccccc2Cl)C1"]
["158914376","COCC[C@@H]1CCCCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C1"]
["154621036","CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC=C(Cl)C2)C1"]
["113673915","NS(=O)(=O)C1CCC(C2CCOC3(CCCC3)C2)NC1"]
["70393079","OCC#Cc1nnn(CC2NC(CO)C(O)C2O)c1CO"]
["156009559","C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#CCO)s2)N1"]
["58358332","OCC#Cc1cc(F)ccc1Cn1ccnc1"]
["51539643","Cn1cc2c(C#CCO)cccc2n1"]
["177632436","CCn1nc(C(=O)N2CCC(CC#N)CC2)c2c1[C@H](C)O[C@H](C)C2"]
["86094265","CCCn1ccn(Cc2ccc(C#CCO)s2)c1=O"]
["112489848","CCC1CN(C)CCCN1Cc1ccc(C#CCO)cc1"]
["68203056","O=c1oc2cccnc2n1Cc1ccc(C#CCO)cc1"]
["87715171","COc1ccc(-c2c(CO)nnn2CC#N)cc1OC"]
["MCULE-3525665320","Cl.Cl.NC1CCC1n1cc(CCO)nn1"]
["81064060","OCC1NC(CN=C(O)c2ccccc2)C1c1ccc(C2=CCCC2)cc1"]
["53943162","OCC#Cc1ccccc1C(O)=NCC1CCC1"]
["174113771","[B+]C1([B+])N(C)C2=C[CH-][CH-]C3=C2N([C@H]2CCN(CCC[C-]([O-])c4ccc(N5CC[C@H]6[C@@H](C5)[C-]5[CH-]C[C-]=C7[C-]5N6C([B+])([B+])C([B+])([B+])N7C)cc4)C[C@@H]32)C1([B+])[B+]"]
["31971256","COCC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccc(N2CCCCC2)cc1"]
["67199474","O=C(CCCN1CCC2C(C1)c1cccc3c1N2CCCO3)c1ccc(F)cc1"]
["145814312","CN=C(NCC1CCN(C)C1)NC1CCN(c2ccc(Br)cc2)C1.I"]
["172546394","CC1(C)CCC(c2ccc(Cl)cn2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCN(C(C)(C)C)CC5)CSc5ccsc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1"]
["31492502","CC(C)N1CCN(CCCCN2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)CC1"]
["151341086","CCCN1CC[C@H](CN=C(O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1"]
["MCULE-8239014223","CN1CCN(C(=O)CN2CCN(C(=O)C3CC(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C3)CC2)CC1"]
["153244831","COc1ccc([C@@H](O)CCCN2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1"]
["158557253","C[C@@H]1CCN(C(O)=N[C@H]2CCN(c3ccc(Br)cc3)C2)C[C@H]1O"]
["92491636","CCOC(=O)C1CCN(c2cccc(Cl)c2[N+](=O)[O-])CC1"]
["189266662","C#Cc1ccc2c3c([nH]c2c1)[C@H](c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F)N(CC(F)(F)F)[C@@H](C)C3"]
["97077292","C[P+]12O[B-]3(C4CCCCC4)O[P+]4(C)O[B-](C5CCCCC5)(O1)[O+][P+]1(C)[O+][B-](C5CCCCC5)(O2)O[P+](C)(O3)[O+][B-](C2CCCCC2)(O4)[O+]1"]
["18650343","Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CN=C(O)C3CCCCC3)cc2)on1"]
["147305468","C1CCC(NC2CCCC2C2COCCN2)CC1.Cl"]
["73615466","C1CCC(NC2CCCCC2)CC1.C1CO1"]
["64446323","C[Si](C1=C(Cc2ccccc2)C=CC1)(c1ccccc1)C1CCCCC1"]
["158074699","CC1(C)CC[C@H]1NC1CCCCC1"]
["123048335","CC1CCCCC1N(C)C(=O)CSc1nnc(N(C)C)s1"]
["93640262","C1=CCC(NC2CCCCCC2)C1"]
["53981831","CC1CCC(NC2CCCCC2)C1C"]
["118108491","Cn1nccc1CNC(=NCCc1ccco1)NC1CCCCC1"]
["104435517","c1ccc2c(c1)CC[C@@H](NC1CCCCC1)C2"]
["115546270","Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)C2c2ccco2)s1"]
["161627987","CP(P)SO[C@H]1O[C@H](OP(C)SP)[C@@H](OP(C)SP)C(OP(C)SP)[C@H]1OSP(C)P"]
["164273759","CC1CC(O)O[C@H](OSP(C)P)[C@@H]1O"]
["112719394","CCC(CC)(Cn1c(=N)[nH]c2c(OC)ncnc21)SC"]
["97114069","CO[C@@H]1O[C@H](CO[N+](=O)O)[C@@H](O[C@@H]2O[C@H](CO[N+](=O)O)[C@@H](O[N+](=O)O)[C@H](O[N+](=O)O)[C@H]2O[N+](=O)O)[C@H](O[N+](=O)O)[C@H]1O[N+](=O)O"]
["199440362","CCOC1OC[C@@H](OCC)[C@@H](OCC)[C@@H]1OCC.CCOC1O[C@H](OCC)[C@@H](OCC)C(OCC)[C@H]1OCC.CCO[C@@H]1OC[C@@H](OCC)[C@@H](OCC)[C@@H]1OCC"]
["168997775","CP(P)SOC1CC(OP(C)SP)[C@H](OP(C)SP)CO1"]
["194021245","C[C@@H]1[C@@H](OPP)[C@@H](OP(P)P)O[C@@H]1CC(O)CO"]
["190645674","C[B][C@@H]1O[C@H](CC)[C@H](OPC)C1OPP.C[B][C@@H]1O[C@H](CPOC)[C@H](OP)C1OPP"]
["161387784","CP(P)SO[C@@H]1CC(OP(C)SP)CC(OP(C)SP)O1"]
["184265885","C=CCC1OC(CO)C(P(C)P=O)C1OP(C)P"]
["109406852","CC(C)O[C@@H]1O[C@H](OC(C)C)[C@H](OC(C)C)O[C@@H]1OC(C)C"]
["191424854","CC1OC(OP(C)P)C2OC(C)(C)OC2C1C"]
["173112424","Clc1cc(Br)c2c(c1)CCC1=CC(Br)=CNC1C2=C1CCNCC1"]
["153514644","O=C(N[C@H](c1cccc(Cl)c1Cl)C1CCNCC1)c1ccc2cnccc2c1"]
["163340615","FC1(F)CNCC1c1ccc(Cl)cc1"]
["176116075","O=C1c2cc(Cl)cc(Br)c2CN1C1Cc2ccccc2C1"]
["160084947","CCC1COC(C)CN1C(O)=NCc1cc(Cl)cc2c1OCC2"]
["87097911","Clc1ccc(C2NCCCS2)c(Br)c1"]
["63398055","Clc1ccc(CN(CC2CC2)C2CCNCC2)cc1"]
["29337753","C[C@H]1CNCCc2ccc(Cl)cc21.O=C(O)c1cc(O)nc(O)n1"]
["129296103","N#Cc1ccc(CN2CCC(NCc3cc(Cl)cc4c3OCC4)CC2)cc1"]
["146046197","Cl.O=C(c1ccc(I)c(Cl)c1)N1CCCNCC1"]
["88880352","C=CC1NCCc2cc(Cl)cc(Br)c21"]
["106951090","Cc1cc(Br)c2c(c1)[C@H](C(C)(C)CO)NCC2"]
["180795430","C=I1=C(CC(C[CH2-])CC)[N-]C2=[N+](C(C)CC)[CH-][N-]C2=C1C1=C=IC=[N+]=C1.[U+2]"]
["118891744","CCC(CCO)CNCc1cc(C)c(C)cc1O"]
["44331582","CCC(CNC(C)C)Cc1ccc(Cl)c(Cl)c1"]
["55203694","CCC(CNC(C)C)Cc1cc(C)ccc1OC"]
["111701827","C=CCN(CCOC)Cc1cc(CNC(C)C)oc1C"]
["68617280","CCCNCc1oc(CN(CC)CC(CC)CC)cc1C"]
["52517664","CCC(N)Cc1cc(C)ccc1OCOC"]
["18223759","CCc1ccc([C@@H](C)C(=O)N2CCN(CC(O)=N[C@H](C)CC)CC2)cc1"]
["88205345","CCc1cc(CC)n(CC(O)=NC(C)C(C)C)n1"]
["178490051","CC(C)C[N+]1=C2C(=C(N=C=O)[N-]c3ccccc32)[N-][CH-]1.[CH2-]C.[U+2]"]
["137858544","CCC(CC)CN(CCC#N)Cc1cc(C(=O)OC)c(C)o1"]
["95042687","CCC(CC)Cn1c(C(C)C)cnc1S"]
["176391476","C1=Nc2ccc3c(cnc4ccc5c(c43)N=CN=5)c2=N1"]
["175298507","N=C1C(Br)=CNC2=C(c3cnc4ccccc4c3)CC=NN12"]
["47951153","O=c1c2cnc3ccncc3c2[nH]n1-c1ncccn1"]
["73562705","C1=CC2=C([N]C=N2)C(=c2ccnc3c2=NC=N3)N1"]
["48694451","N=C(O)CC1(N)N=C(O)C2=NC=NC2=N1"]
["73735700","CS(=O)(=O)c1[c]ccc2c3ccc(nc3)c12"]
["173240657","OC1=Nc2ccc3nc(C4=CC=CC=CC4)sc3c2C1"]
["199221424","Cc1csc(CN=c2[nH]c(O)c(/C=c3\\ccc4c(c3)N=CN=4)[nH]2)n1"]
["161813923","C1=Nc2ccc3c4c(ccc3c2C1)N=CC4"]
["171396533","Oc1[nH]c2cccc(O[C@H]3C=CNCC3)c2c1/C=c1/ccc2c(c1)N=CN=2"]
["199329709","[B]Cc1cnc2cc(C(=O)O)ccc2n1"]
["193627558","C.CC(C)(C)Cc1ncccn1.Cc1cnc(CC(C)(C)C)nc1"]
["171785376","ClC1(Cl)C=C2C=C3C4(Cl)CC4(Cl)C4(Cl)CC4(Cl)C3(Cl)C3(Cl)CC(Cl)(C1(Cl)Cl)C23Cl"]
["45171014","ClC1(Cl)C[C@@]1(c1ccccc1)[C@]1(c2ccccc2)CC1(Cl)Cl"]
["171060911","Cl/C1=c2\\cccc\\c2=C2/C3(Cl)CC3(Cl)C3(Cl)CC3(Cl)C2(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl"]
["140819112","CC(C)(C)OC(=O)Nc1ccc(NC(=O)C2CC2(Cl)Cl)cc1"]
["74090686","OC1(Cl)C2(Cl)C=C(Cl)C(Cl)(C2)C1(Cl)Cl"]
["172062830","OC1=Nc2ccccc2C2(CCN(Cl)C2)O1"]
["183240121","ClC1(Br)C=C2OCCOC2C(I)(I)C1"]
["76810413","ClC1(Cl)CC1(c1ccccc1)C1(c2ccccc2)CC1(Cl)Cl"]
["182021812","COC1=C(N=[N+]=[N-])C(C)=CC(Cl)(Cl)C1"]
["161705012","ClC1(Cl)CCC/C2=C/C=C3/C4(Cl)CC4(Cl)C4(Cl)CC4(Cl)C3(Cl)C(Cl)(Cl)C(Cl)(Cl)C21Cl"]
["167244941","[O-][Cl+3]([O-])([O-])OP(CCCCCCCCP(O[Cl+3]([O-])([O-])[O-])(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1"]
["172062742","COC(=O)Nc1ccc(C(=O)N[C@@H](CC2CCC2)C(=O)N2CCC[C@@]3(C2)OC(O)=Nc2ccc(Cl)cc23)cc1"]
["77762062","O=C1C2C(=NO[N+]2=O)C(N([O-])O)=C2N=[O+][N+](=O)C12"]
["162300042","C=C(C)CN(C)C1=NC=NC(=O)C1I"]
["83563654","CCOC(=O)C1=NO[N+](=O)C1C(=O)OCC"]
["33260745","CO[C@@H]1OCC2=CC(=O)O[C@H]2[C@@H]1O"]
["157006945","O=C1CN=C(O)CN1[C@@H]1CCSC1"]
["77564209","CCOC(=O)N1CCC(C(=O)N(CC(C)C)C2C(O)=NC(=O)N(CC(C)C)C2N)CC1"]
["81507929","O=C1N=C=CCN1C1OC(C[O-])C(O)C1S(=S)C(Cl)(Cl)Cl.[Y]"]
["179019827","C=[NH+]N=NC(C)=C1C(C)=NO[N+]1=O"]
["174191077","C=C[C@]1(OC(=O)n2ccnc2)/C=C(\\C)C(=O)[C@H](C)C[C@H](C)[C@H](C)[C@@H](C)[N+](=O)[C@@H](C)C(=O)O[C@@H]1C.CC.CC"]
["76744050","CC1=NC(=O)C(N2CCN(N([O-])O)CC2)C(C)=N1"]
["82819154","Cc1conc1C(=O)C1=NO[N+](=O)C1C(=O)c1nocc1C"]
["195097464","C[C@H]1N=C(O)N(C)[C@@H]2N=C(O)N(C)[C@@H](c3ccc(N([O-])O)cc3)[C@H]21"]
["173564644","NOS([O-])([O-])CO[B+]B(O)B([B]O)O[B+]O"]
["173547718","C[SiH2]OB(O[SiH2]C)O[Si]([B]O)(O[SiH2]C)O[SiH2]C"]
["174004430","[N-]=[C-]O[B+]O"]
["99740665","CCCOB(O)B(O)[B]O"]
["61032747","O=S([O-])CC(O)OS(=O)(=O)OC(CS(=O)[O-])OS(=O)[O-]"]
["121271247","Cc1ccc(S(N)(=O)=O)cc1C(O)=NCC#Cc1ccc(C(F)(F)F)cc1"]
["81612463","CCC(C)=C([O-])OCS(=O)(=O)[O-].[Y]"]
["99397031","C=CCS([O])([O-])O[B+]O"]
["172693648","CCC(=O)OCS(=O)(=O)[O-].[Na+]"]
["146037270","COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(O)=NCCCN)c1.Cl"]
["173799958","[O-]C(=BO)N([B+]O)CCO"]
["187051188","C=C(C)COB(O)CCOS(=O)(=O)ON"]
["175683630","[N-]C(=[N-])[N-]C(=[N-])N=C1[C+]=[C+][C+]=[C+]1"]
["163826529","CC(N=C(O)C1CCC(F)(F)C1)c1ncc(Br)cn1"]
["150201697","CCC1=CC(C)C(C)=C(CN=C(C)O)C=C1"]
["171869218","N=C(O)C(O)C(O)c1ncc(Br)cn1"]
["183003900","[N-]=[N+]=NC1=CC(O)=CC(=O)C1O"]
["78192435","C[C]([O-])N=C1N=NN=N1"]
["178955564","[CH-]=NC(=[N-])CC.[U+2]"]
["44481435","N=C(N)N=C1N=NN=N1"]
["151797892","CCC1=NC(=NCCN=C2N=C(O)CC(CC)=N2)N=C(O)C1"]
["145748479","CC1(C)N=C(O)c2cc(Br)sc21"]
["184090671","[N-]=N[N]O[B+]c1ccccc1"]
["175109604","CN=C([N-]C(=[N-])c1ccc(Br)cc1)c1ccc(Br)cc1.[Y]"]
["78959197","C1#Cc2cc3c(cc2=C1)C=CC=3"]
["161893798","C1=COc2cc3c(cc2=C1)Oc1ccccc1C=3"]
["173824244","N=c1cc2c(c[nH]1)/C=C\\C=C/C=C2"]
["97383109","[N-]CC1=C[CH+]C(=[Cl+])C=C1"]
["182796494","Nc1c2c(cc3c1=CC=C3)=CC=C2"]
["25232933","C1=C[C]2C=CC=C2N=1"]
["78998025","CC1=C=[As]C2=CC=C[C]12"]
["189796715","CC(=O)N1N=C(C)C=CC=C1C"]
["147846795","C1=COC2=c3c(cccc3=C1)C=CO2"]
["182842561","[N-]=[N+]=NC1=Cc2cc3c(cc2=C(Cl)C1=O)C(=O)C=CC=3"]
["174664865","C1=CC=C(C2=CC=Cc3ccccc3N2)CC=C1"]
["110903632","Cc1cc2c(cc1C)/C=C\\c1cc(C)c(C)cc1/C=C\\c1cc(C)c(C)cc1C#C2"]
["164731859","C1=C[C+](B2OB(c3ccccc3)O[B-](c3ccccc3)(N3CCN([B-]4(c5ccccc5)OB(c5ccccc5)OB(c5ccccc5)O4)CC3)O2)C=CC1"]
["174764462","C=C(C(=O)c1ccc(N(C)/N=C\\C)cc1)N1CCN(C(=O)c2ccccc2)CC1C"]
["32767875","CC(C)(C)OO[C@]1([C@H]2CO2)CCC(=O)N1Cc1ccccc1"]
["151941009","OC(=NCCOc1ccccc1)[C@H]1C=CCN1"]
["42649104","C[C@@H]1C[C@@H](c2ccccc2)CCS1"]
["29629038","CC1(C)SCN[C@@H]1C(O)=N[C@@H](CSCC1CCCCC1)C(O)=NC1CCN(Cc2ccccc2)CC1"]
["128384293","OC(=NOC1CCCCO1)N1CCOC(c2ccccc2Cl)C1"]
["174537354","CC1(C)CC(NNC(=O)O)c2ccccc2O1"]
["MCULE-8867168867","O=C(NC(C(=O)N1CCOC(c2ccc(Br)cc2)C1)c1ccccc1)c1ccc(Cl)cc1"]
["MCULE-5508547216","O=C1OC(CN=C(O)C(CSCc2ccccc2)N=C(O)c2ccc3cc[nH]c3c2)CN1CCc1cccc(Cl)c1"]
["164898132","CC1(C(=O)N2CCOCC(O)(COc3ccccc3)C2)CCCCC1"]
["16155213","O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCO[C@H](c2ccccc2)C1"]
["163541468","COCC(COC)(COC)CC(C)(C)OC(C)(C)C(COC)(COC)CC(C)(C)OC(C)(C)C(COC)(COC)COC"]
["95768736","C#CCC(N)C(O)=NC(C)(C)COC"]
["183035280","CCOC(CCON=[N+]=[N-])(OCC)OCOC"]
["44527152","COC(C)(C)CCNN"]
["19921192","COCC(C)(C)[NH2+]Cc1ccc(Cl)s1"]
["182555622","COc1c(COC(C)(C)C)cccc1N=[N+]=[N-]"]
["95409355","COCC(C)(C)NCC(O)COc1c(Cl)cccc1Cl"]
["57689668","COCC(C)(C#N)O[Si](C)(C)C"]
["182898600","COCC(F)(F)CON=[N+]=[N-]"]
["25929121","COCC(C)(OC)OC(=O)OO"]
["175003160","COC(C)(C)CC(C)(C)CNCC(C)(C)CC(C)(C)SF"]
["161829212","COCC(OC)([N+](=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])C(O)(O)[N+](=O)[O-]"]
["77059957","N#CCOc1nc2n[nH][nH]n-2c2n[nH][nH]n1-2"]
["5246534","CC[C@@H](C#N)Oc1cccc(CN=C(O)Cc2ccc(OCC#N)cc2)c1"]
["1197516","N#CCOc1ccc(CN=C(O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1"]
["90405723","COc1cc(C=C2N=C(c3ccccc3F)OC2=O)ccc1OCC#N"]
["179001304","CCC(CC)Nc1nc2c(nc1OC)-c1ccc(OCC#N)cc1C(C)C2"]
["163279055","CCOc1ccc(CC#N)c2sc(Br)cc12"]
["15395639","C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccc(OCC#N)cc2)C1"]
["98630687","CCCc1c(F)cc(OCC#N)cc1F"]
["157836740","N#CCOc1ccc(F)nc1C#N"]
["130470913","N#CCOc1ccccc1C(=O)N1CCCO1"]
["125663760","N#CCOc1ccc(Cc2nc(-c3ccccc3Cl)no2)cc1"]
["184226414","CCOC1=CC(Br)=NC(C#N)C1O"]
["196667673","[C-]#[N+]C(C#N)[N-]C1=C=C[C-](C2=CC3=[O+]C(C)(C)C4=CC5C=C6C(=CC5C=C4C3=[S+]2)C(C)(C)OC2=CC(c3ccc(N=C(C#N)C#N)s3)=S=C26)S1"]
["190578577","CC#CC1C[C@H]2[C@@H]3CCC4=CC(=NNC(S)=Nc5ccccc5)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@]2(C)[C@H]1O"]
["185846894","Cc1cn([C@H]2C[C@@](O)(C(C#N)CN=[N+]=[N-])[C@@H](C)O2)c(=O)nc1O"]
["31502697","CC1(C)c2[nH][nH]c(=NC(=O)c3ccccc3N=C(O)C3CCOCC3)c2CN1S(=O)(=O)c1cc(F)cc(F)c1"]
["196735117","[C-]#[N+]C(=Nc1cc(OCCC)c(-c2cc3c(s2)-c2cc4c(cc2C(C)(C)O3)-c2sc(-c3sc(N=C(C#N)C#N)cc3OCCC)cc2OC4(C)C)s1)[N+]#[C-]"]
["70212429","CN1CCC(NCC(O)=Nc2ccc(-c3ccc(O)c(CN4CCN(C)CC4)c3)s2)CC1"]
["196771650","[C-]#[N+]C(C#N)=Nc1ccc(-c2cc3c(s2)C2C=C(C)c4cc(-c5ccc(N=C(C#N)[N+]#[C-])s5)sc4C2C=C3C)s1"]
["MCULE-5246917392","CN1CCCC(C(O)=Nc2ccc(F)c(-c3ccc(C#N)s3)c2)C1"]
["31788517","CC12C[C@@H](O)C(C)(O1)[C@H](C(O)=Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]2C(=O)O"]
["69631018","[C-]#[N+]C(C#N)=C1C=C(C=Cc2cc3c4c(c2)C(C)(C)CCN4C(C)(C)CC3C)OC(C(C)C)=C1"]
["197829960","COc1nnc(N=C(O)C2=CN(c3ccc(-c4cc(C)ncc4C(O)=Nc4nnc(OC)s4)c4ncsc34)C(C)=CC2=C2C(=[O+]C)C=Nc3ocnc32)s1"]
["150109550","Cc1cnc(N=C(O)CCC2CC(O)(CC#N)C3(C)CCC4c5cc(Br)c(O)c(Br)c5CCC4C23)s1"]
["172488918","C1=Nc2cc3c(cc2=CN1CCn1ncnn1)N=NN(C1CC1)C=3"]
["55115308","Cc1cc(C(=O)OCC(O)=NC(O)=N[C@H]2CCCC[C@@H]2C)c(C)n1C1CC1"]
["177305633","CC1CCCCN1C1CN(C(=O)Cn2ncnn2)C1"]
["144799183","NCCn1cc(OCC2CCCS2(=O)=O)cn1"]
["MCULE-7598002892","O=C1CC2CCC(C1)N2C(=O)Cc1cc(-c2cncnc2)ccc1F"]
["68409289","[2H]C1([2H])CC(N2CNc3c(Br)cc(Br)cc3C2)CC([2H])([2H])C1([2H])O"]
["CSSS01937736733","Cc1ccn2c(CNC3CCC(=O)N(c4cnn(C)c4)C3)cnc2c1"]
["199251886","Cc1ncnn2c(C3CCC(N4CCN(C)CC4)CC3)cc(Br)c12"]
["80172709","Cn1cc(-c2ccc(F)cc2CC2=NC(=O)C3C=NN(C4CCOCC4)C3=N2)cn1"]
["182446900","[N-]=[N+]=NOCn1ncnn1"]
["124622819","O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(C2CC2)CC1"]
["84680009","CN1C2CCC1CN(C(=O)c1cn(CC(=O)O)nn1)CC2"]
["179261865","INC1C=CC(I=CNC2C=CCC3CNCC32)C2CNCC12"]
["58682578","CCC1C2CNCC2CN1CC(O)=NC(C)C"]
["186198418","Cc1cccc(Cl)c1OCCN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12.Cl.Cl"]
["186186709","CS(=O)(=O)NCc1cc2n(n1)CCCN(C[C@H]1[C@@H]3CNC[C@@H]31)C2.Cl.Cl"]
["86626671","CCC1C2CNCC2CN1CCCF"]
["124766181","Cl.OC(=NC1CCCNC1)c1nnn(-c2ccc(Br)cc2)c1C1CC1"]
["66893240","CCC1C2CNCC2CN1Cc1ccccc1OC(F)F"]
["58718526","CCC1C2CNCC2CN1C(C)c1cccc(C)c1"]
["51222835","O=C(NC1C2CNCC21)c1ccon1"]
["65055377","CC1C2CNCC2CN1S(=O)(=O)c1cccc(Cl)c1Cl"]
["171012859","CCC[C@H](N[C@@H](C)C(=O)N1[C@@H](C(=O)OC(C)CC)C[C@H]2CC=C[C@@H]21)C(=O)OCC"]
["150839203","C=CC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@@H]21"]
["49544187","CC1=CNC(=CN=NC([NH-])=S)c2cccc(N)c21.CC1=C[NH2+]C(=CN=NC([NH-])=S)c2cccc([NH3+])c21.[Ni]"]
["96246801","CCOC(C)(C)Cn1nnnc1-c1c(N)cccc1OC"]
["172400851","CNc1ccc(O)c(-c2ccccc2N)c1"]
["149632138","CCc1c(F)cccc1-c1ccc2c(c1)C(C(O)=Nc1cncc(C)c1)N=NC2C"]
["69593118","CC(Br)=Cc1c(C)cccc1N"]
["200432029","Nc1[nH]c(=O)c(C(=O)O)c(-c2cccc(Oc3ccccc3)c2F)c1C(=O)O"]
["88054739","CN=C(O)Cc1ccc2cccc(N)c2n1"]
["178082722","Nc1ccc(NC(S)=Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O"]
["155448412","Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(C)c3[nH]2)c1"]
["23842594","Cc1c(-c2cccc(Cl)c2)nc2c(C)c(Cl)ccc2c1C(=O)O"]
["86924796","COCC(C)n1nnnc1-c1c(N)cccc1OC"]
["21949539","COc1cccc2c1[NH2+]C=C2[C@H](C(=O)O)N1CCN(c2cc(C)c3ccccc3n2)CC1"]
["180120701","CC(C)P(c1ccc(P2(=O)N(c3ccccc3)C3=C=C=CC=C3N2c2ccccc2)cc1)N(c1ccccc1)c1ccccc1[N+](=O)c1ccccc1"]
["18600824","C[C@@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1"]
["75334873","CC(C(=O)O)N(C(=N)S)c1ccccc1[N+](=O)[O-]"]
["1816769","CCN(CCN=C(O)[C@@H](C)n1c2ccccc2c2nc(=O)cc(C)n21)c1ccccc1"]
["15315065","C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)C(O)=Nc1cccc(F)c1"]
["87828044","CC(CN(CCN1CCCC1)c1ccccc1)C(=O)O"]
["161953551","C[Si](C)(c1ccccc1N(c1ccccc1)c1ccccc1[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["166405068","CC1(C)c2ccccc2-c2c(N3c4ccccc4N(c4ccccc4)P3(=O)c3ccccc3)cccc21"]
["48006975","CCCCN(C(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1"]
["11954350","CC(C)[C@H](C(O)=NCCCN(C)c1ccccc1)N1CCCC1=O"]
["110498851","COC(=O)[C@]1(C)C=C(N(C(=O)C(=O)N(C2=C[C@@](C)(C(=O)OC)N(c3ccccc3)C2=O)c2ccccc2)c2ccccc2)C(=O)N1c1ccccc1"]
["173097017","CC.CC.CCC(=O)N(c1ccccc1N(C=O)c1ccccc1)C(C)C"]
["100679736","CC(C)[PH]1(C)c2cc3c(cc2Nc2cc4c(cc2[PH](C)(C(C)C)c2ccc5c(c2N(C)c2c1ccc1c2C=CC1)CC=C5)CC=C4)CC=C3"]
["108031315","COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC3(CC1)CN(C)C(=O)O3)C2"]
["199189491","Cc1cc(C)cc(N2CN3c4cc5c(cc4N(C)c4cccc2c43)C(C)(C)CCC5(C)C)c1"]
["168298429","Oc1ccc(-c2nnc(S)n2-c2cccc3c2C=CC3)c(O)c1"]
["183201171","C1=Cc2c(cccc2-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1"]
["11159482","Cc1nn(C)cc1[C@H](C)N=C(O)CN1C(=O)[C@]2(CCc3ccccc32)N=C1O"]
["MCULE-5063438088","COC(=O)Cc1ccc(-c2cccc3c2CC=C3)cc1F"]
["173181960","C1=Cc2ccc(C3CCC(c4ccccc4)C3)cc2C1"]
["193439568","CC(C)Cc1ncc2c(n1)CN(C(O)=NCc1ccc3c(c1)CC=C3)CC2"]
["190902881","COc1ccc2c(c1)Sc1c(c(OC)c3sc4cc(OC)ccc4[n+](C)c-3c1=[O+]C)N2C"]
["80574203","CC1Cc2cc(C([O-])=C3C(=O)C(=O)N(CC4CCCO4)C34C(=O)N(C)c3ccccc34)ccc2O1"]
["50685381","COC(OC)C(C)Nc1ccc2c(c1)CCC(=O)N2"]
["174044378","[B+]C(OC([O-])C(C([B+])([O-])O)C(O)(O)O)C1CCC(N(C)/C=C\\C(N=CO)=NO)O1"]
["88555393","CCCC(C(=O)OCC)N(C)C1CCC(C)(C)CC1"]
["9691690","COCCN(C)C(O)=N[C@@H]1CCOc2ccc(F)cc21"]
["129529472","CCS(=O)(=O)CC(C)N(C)C(=O)C1CCC(C)O1"]
["158433476","C[C@@H]1C[C@H](C)[C@H](C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)O1"]
["198059262","COC(=O)C(COC1CCC1)N(C)C(=O)[C@@H]1O[C@H]1C"]
["131129647","CC1CCC(C(O)=NCC(N=C(O)OC(C)(C)C)c2ccccc2)O1"]
["18534445","COC[C@@H](C)N(C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1"]
["69608672","COP(=O)(OCC(O)C1OC(=O)C(O)=C1O)OC1CCC(C=C(C)C)=C(C)C1=O"]
["94916376","C=C(C)CCC(NN)C1CCC(C)O1"]
["126959431","CC1CCC(C(=O)N(C)C(C)c2cccc(N3CCCS3(=O)=O)c2)O1"]
["28963683","CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)C(N=C(O)C1CCCCN1C(C)(C)CC)C(C)(C)C"]
["175894996","C=CC1=C=C(C=C=CN)N(c2nc(N3C(=C)C=C=CN=CCC4=C3C=C=CN=C4)nc(-n3c4c(c5c3C=CNC5)C=NC=C=C4)n2)C2=C=C1CNC=C=C2"]
["31208126","CC1(C)C2=C(C=CCC2)c2ccc(-c3cccc(-c4cc(-c5ccc(-n6c7c(c8ccccc86)CNC=C7)cc5)nc(-c5ccccn5)c4)c3)cc21"]
["20006028","CN1c2ccccc2N[C@H]1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccc(CO)o1"]
["150609388","C1=Cc2c(c3cc(-c4cncc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)c4)ccc3n2-c2ccccc2)CN1"]
["176137845","Cn1c2c(c3ccc4c(c31)N(c1ccccc1)c1ccccc1-c1ccccc1-4)CNC=C2.N=C(NC(=N)c1ccccc1)c1ccccc1"]
["175963162","C#CCN=C/C(=C\\CC/C=C\\c1c(CC#C)c2ncccc2n1C1=CC=C=CC(N2C3=C=C(C=C(C4=C=CN=CC(C(/C=C\\C)=C/C=C)=C4)C=C3)c3ncccc32)=C1)c1ccccc1"]
["82207700","C=CCOC(=O)C(CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3c2C=CNC3)cc1"]
["150609411","C1=Cc2c(c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)ccc3n2-c2ccccc2)CN1"]
["31961014","C1=Cc2c(c3ccccc3n2-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccccn4)c3)cc2)CN1"]
["161966112","C1=CCCC(c2ccc(-n3c4c(c5cc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)ccc53)CNC=C4)cc2)=C1"]
["150609401","CC1=C(/c2ccc(-c3ccc4ccccc4c3)cc2)C2CC=CC=C2/C(c2ccc(-c3ccc4c(c3)c3c(n4-c4ccccc4)C=CNC3)cc2)=C/C=C/C=C\\1"]
["52084725","C=CCOC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3c2C=CNC3)cc1"]
["79533828","C[SiH2]OO[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH2]C"]
["182509346","C[SiH2]O[SiH](O[SiH3])C(C)[Si](C)(C)C"]
["22958537","C[SiH](O[SiH](C)O[Si](C)(C)C)O[Si](C)(C)C"]
["175312300","C[SiH2]O[SiH](C)C(Cl)(Cl)CC(Cl)Cl"]
["25247805","C[SiH2]O[Si](C)(C)[SiH]([Si](C)(C)O[SiH2]C)[Si](C)(C)O[SiH2]C"]
["78973203","C[SiH2]O[SiH3].C[SiH2]O[SiH](C)C"]
["79877212","C[SiH2]C(C)[SiH](C)O[SiH3]"]
["171909345","CCCC[Si](C)(C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)OC"]
["185313490","CC(C)[SiH](O[SiH](C)O[SiH](C(C)C)C(C)C)C(C)C"]
["190964891","CC(C)[Si](C)(C)O[SiH](C)O[Si](C)(C)C(C)C.C[SiH2]Cl"]
["198785920","C[SiH2]C([SiH2]C)([SiH2]C)[SiH](C)C#N"]
["79241381","C[SiH2]O[SiH](C)[SiH](C)O[SiH3].C[SiH](C)O[SiH3]"]
["168462887","CC[Si](CC)=[Si-](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si+](CC)CC"]
["47392421","CC[Si](CC)[Si](CC)(CC)CC"]
["100243194","CC[Si](CC(C)CN)C(OC)OC"]
["46708258","CCCCc1ccc(O)c(Cc2nc3cc(Br)ccc3o2)n1"]
["73931750","CC1=C(Cc2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)N=N1"]
["43124115","CC[Si](NC)NC"]
["171832856","C1CCC1.C=C(O)C([NH-])CCOCCCCc1ccc(CC)c(NC)n1.[Y]"]
["85469434","CCN1CCN(c2nc(Br)cn3ccnc23)CC1"]
["182966174","CC[Si](CC)(CC)C([Si](CC)(CC)CC)=[Si-](CC)(CC)CC.[Y]"]
["115293558","CCc1cc(=NC)[nH]c(-c2ccc(Br)c(Br)c2)n1"]
["99391119","CCOC(OCC)[Si](CC)CC(C)CN"]
["147989299","CCCCc1nc(Br)ns1"]
["191433400","CO[Si]1(O)O[Si](O)(O)O[Ge](OC)(OC)O[Si](O)(OC)O[Si](O)(OC)O[Si](OC)(OC)O1"]
["200382829","COc1c2c(c(NC(=N)S)c(OC)c1OC)C(=O)OC2"]
["11661820","COC(=O)c1coc2c1C(=O)CCC2"]
["161718878","CC(C)[Si]1(O)O[Si](O)(O)O[Si](C(C)C)(C(C)C)O1"]
["54972159","CO[Si]1(C)O[Si](C)(O)O[Si](C)(O)O[Si](C)(OC)O1"]
["69612842","CO[Si]1(O)O[Si]23O[Si]4(O[Si](O)(OC)C(C)C4C2C1C)O3"]
["91516002","CCC1CO[Ge](OC)(OC)OC1"]
["151071882","COc1ccc2c(c1)C[C@H](C(O)=Nc1cc(F)c(-c3cc[nH]c(=N)n3)c(F)c1)CO2"]
["95881952","COC(=O)C1Cc2c(Br)ccc(Br)c2C(=O)O1"]
["150394843","CO[Si]1(C)O[Si]2(OC)O[Si]3(C)O[Si]4(OC)O[Si](C)(O4)O[Si](O1)(O3)O2"]
["195983762","CCO[Si]1(O)O[Si](C)(C)O[Si]2(OO[Si](OCC)(O[Si](C)(O)O)O[Si](O)(O)O[Si](C)(O)O2)O[Si](C)(O)O1"]
["MCULE-5790954666","COc1ccc(-c2c(F)cc(N=C(O)C3COc4ccccc4O3)cc2F)cc1"]
["175674200","CC=c1cc2c3cc(=C4C=[C-]C(C(C)(C)C)S4)sc3c3sc(C(C)(C)C)cc3c2s1.[Cs+]"]
["164471387","CC(C(C)(C)C)[Si](C)(C)c1cc2c(s1)c1c(c3sc([Si](C)(C)C(C)C(C)(C)C)cc32)C2=Cc3c(c4sc([Si](C)(C)C(C)C(C)(C)C)cc4c4cc([Si](C)(C)C(C)C(C)(C)C)sc34)C2=C1"]
["17304543","CCN(CC)CCN(C(=O)C1CCCCC1)c1[nH+]c2c(OC)ccc(C)c2s1"]
["186087364","Cc1cc(C(C)(C)C)sc1-c1sc(-c2ccc(C(C)(C)C)s2)cc1Br"]
["59449262","Cc1ncnc2cc(C(C)(C)C)sc12"]
["16935791","CN=C(O)c1cccc(-c2nc(O)c3cc(C(C)(C)C)sc3n2)c1"]
["98052685","CC(C)(C)C1NC=NC=C1c1cccc(Cl)c1"]
["87142934","CC(C)(C)c1ccc(C(N)c2cc(Cl)ccc2Cl)s1"]
["179939106","CC(C)(C)C1I=C2[C-]=CC=NC2C1C(C)(C)C"]
["163184386","CC(C)(C)c1cc2[nH]c(C#N)c(N)c2s1"]
["163028741","CC(C)(C)c1ccc(/C=N\\N)s1"]
["162492961","CC(C)(C)c1cc(N)c([C@@H]2CCN2)s1"]
["176545317","[CH-]=Nn1[c-]ncc1.[U+2]"]
["174908965","[Er].[c-]1ccccn1.[c-]1ccccn1"]
["25133375","Clc1cccc(CCC2(Cn3ccnc3)OCCO2)c1"]
["112672406","Cn1ccnc1NC(C)(C)C1CC1"]
["102888862","Cc1ccccc1N=Nc1nccn1Cc1ccccc1"]
["85138454","COC(=O)C(C)(C)CNCCn1ccnc1"]
["49556301","CN=c1ccc(Cl)c(Cn2ccnc2C)[nH]1"]
["152027286","CCO[C@H](CC)CN=C(O)N(C)CCn1ccnc1"]
["6346761","C[NH2+]CCn1cccn1"]
["162850664","Clc1cnc(Cn2ccnc2)s1"]
["163937320","c1cc2n3cnc(nc3)c-2n1"]
["176689224","On1ccnc1-c1c(Cl)cccc1Cl"]
["175254876","O=C([O-])C[N+](CC(=O)O)(CC(=O)O)CC(=O)O.[NH3+]CCNOC(=O)CC(O)(CC(=O)O)C(=O)O"]
["196459971","O=C(O)CC(O)(CC(=O)O)C(=O)O.[Lu]"]
["52964655","CCCCCCCCCC[N+](C)(CC(=O)O)C(C)CCCCCCCC"]
["78737272","CC(C)(CC(=O)O)CC(=O)OC(=N)CCC(=O)OC(=O)CC(C)(C)CC(=O)O"]
["33712186","CN(C)C1(c2ccccc2)CCC(c2[nH]c3ccccc3c2C2CC2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O"]
["96831496","C=C/C=C(\\OCC)C(=O)OC"]
["173239834","N=CC(O)(CC(=O)O)C(F)(F)F"]
["79176967","CCCOC(CC(=O)O)(CC(=O)O)C(=O)O.OCCCCO"]
["174818828","Cc1cccc(C(=O)O)c1C.O=C(O)CC(O)(CC(=O)O)C(=O)O"]
["2195897","O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1"]
["111601333","CC(C)(C)OC(=O)CCNCCCC(=N)O"]
["96743086","CCCCCCCC[N+](CCO)(CCCC(=O)[O-])CCCC(=O)O.[Na+]"]
["174397891","OCC/C=C\\C=C/[NH2+]O"]
["170476514","N#Cc1c(N)cccc1C=CCCO"]
["175170175","[CH-]=CC=CCCCC.[CH-]=CC=CCCCC.[Pt+2]"]
["161606147","CN/C=C\\C=C/CCO"]
["76993632","CCCCCC=CC=CC=CCCCCC"]
["91509537","COC(=O)CCCC=CC=CCO"]
["170476287","OCCC=Cc1cnc(F)c(F)c1"]
["1066828","CC/C=C\\CCO"]
["170476815","COc1ccc(CO)cc1C=CCCO"]
["167251924","COC(=O)CCCCCCC/C=C/C=C/CCCCCCCC(=O)OC"]
["45671652","NC(/C=C/CCO)Cc1ccccc1"]
["170791487","N/C=C\\CC(N)O"]
["178882512","C[SiH+]C1CCC([SiH](C)C)CC1"]
["180316304","CC1CCC2C(CC1)C2C1CCCC1"]
["174829437","COO[SiH](OC)C1CCCCC1"]
["18219125","CC1(C)CO[C@@H]2CCC[C@H]2[NH2+]1"]
["69562165","Cc1cc(OC2CC2)cc(=N)[nH]1"]
["173023526","CC.CC1CCC(S)C1"]
["149706235","C[N+]1(C)C2CCC1COC2"]
["173766906","CC.[CH2-]C1CCON1.[Y]"]
["52881405","Cc1[nH]c(C(=O)C2CCCC2)c(C)c1C"]
["178220728","CC1C2CC[N+]1(C)C2"]
["173778351","CC.CN.OC1CCCCCC1"]
["74759327","C[C](C)C1CCCCC(O)C1"]
["147792124","Cn1c2c(n/c1=C1/[NH2+]C=C(C(F)(F)F)C=C1S(=O)#[O+])C=C(S(=O)C(F)(F)F)N([O-])C=2"]
["149867155","CC=c1c(=C(F)Cc2ccc(C(F)(F)F)cn2)n(C)c(=O)n1CC1(C)CC1"]
["183911537","[2H]C([2H])([2H])[C@@H](N=C(O)c1cc(-c2ccn3[nH]c(=N)nc3c2)c(C)nc1C)c1cc(C(F)(F)F)ccc1F"]
["184649841","O=C(c1cccc(-c2nc3cc(C(F)(F)F)ccc3o2)c1)N1CCN(C(c2ccccc2)c2nnc(C3(O)CNC3)o2)CC1"]
["81037553","Cc1nc(C)c(C=C2C(=O)N(C)C=C2C(F)(F)F)s1"]
["3163504","CC(C)c1ccc(C(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1"]
["172525453","Cn1cc2c(n1)c(=O)n(-c1cnccn1)c1nc(C(F)(F)F)ccc21"]
["116700105","CN=C(NCCNc1nccc(C(F)(F)F)n1)NCc1cc(Cl)c(Cl)n1C"]
["43915120","Cn1cnc(-c2ccc(S(=O)[O-])cc2)c1"]
["MCULE-7798463135","O=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCC2(CC1)CCN(C1CCOCC1)CC2"]
["4247351","C[C@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C"]
["189109569","CC(C)(C)OC(O)=NCCCn1cc(-c2ncc(C(O)=NCC3C(N=CO)C(=O)N3S(=O)(=O)O)s2)cn1"]
["177134968","O=P(=O)C1(O)[C@H](O)[C@](O)(P(=O)=O)C(O)(P(=O)=O)[C@@](O)(P(=O)=O)[C@H]1O"]
["162279034","CC12CCCCC1(C)C2O"]
["100261311","CC(=O)[C@@]1(O)C(O)[C@@](O)(C(C)=O)[C@@H](O)C(O)[C@H]1O"]
["68904913","CC1(C)CC2(C1)CC1(C2)CC2(CC3(CC(C)(O)C3)C2)C1O"]
["162276123","CC1=C(C)C(O)C(O)C(F)(F)C1"]
["161871426","CC[C@@]1(O)O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]
["26721252","CS([O])([O-])C1=[O+][C@H](CO)[C@@H](O)C1(F)F"]
["145286722","CC1(C)CC(C(=O)O)CC(C)(C)C1O"]
["58583116","CC1=[NH+]C(C)(C(=O)O)C(O)C(C)(O)N1C"]
["82049313","CC(C)C1(O)OC(C(=O)O)C(O)C(O)C1O"]
["185415533","O=[P+](C1CCCCC1)C1(O)CCCCC1"]
["174687143","O[C@@H]1[C@H](O)C(O)(O)[C@@H](O)[C@H](O)C1(O)O"]
["176448272","[O]B(OBO)OB(O)OC=O"]
["172583334","COC(=O)C=[P+]([O-])O"]
["78196576","O=COC/C(I)=C(\\Br)I"]
["179627816","O=COc1ccc([C@@H](OC=O)C(=O)O)cc1"]
["60085853","O=COCc1ccc(B(O)O)cn1"]
["171008676","CC(=O)c1cc(I)c(Br)c(C=O)c1"]
["174824835","O=COOC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["116276983","OBOc1ccc(Cl)c(Cl)c1"]
["197690353","COc1cc(OB(O)O)cc(OC)c1C=O"]
["42829199","O=COP"]
["25104058","O=COc1ccc(OC=O)cc1"]
["82218818","O=COC(=O)[O-].[Li+]"]
["173589510","[B+]=C1C=Cc2c(c3cc(Br)ccc3n2CC(O)CN2C=C(CCC[O-])NN2)C1"]
["153919296","C=C(C)C/N=c1\\scc(-c2ccc(C)cc2)n1/N=C\\c1c[nH]c2ccc(Br)cc12"]
["MCULE-9264295462","CCc1nc2ccc(Br)cc2c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1C"]
["109903303","C[C@H](CC[C@H]1CCCO1)N=C(O)CCCN1C(=O)c2ccc(Br)cc2C1=O"]
["73735886","O=C(O)CCc1cc(Br)cc2c(C(=O)Oc3ccccc3)c3ccc(Br)cc3nc12"]
["153804377","CC(=O)N1N=C(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1cccc(Br)c1"]
["31713288","CCCC1CC(C(=N)O)c2cc(Br)ccc2N1C(C)=O"]
["114632870","CCCC1(C(=O)O)CCCN1Cc1cc(Br)ccc1O"]
["7160526","CCOC(O)=[NH+][C@@H]1CCCN(Cn2c(=O)oc3cc(Br)ccc32)C1"]
["2992059","O=C(CCn1cnc2ccc(Br)cc2c1=O)OCc1cc(=O)n2ccsc2n1"]
["170261054","COCCn1c(Nc2ccc(C(O)NO)cc2)nc2cc(Br)ccc21"]
["194334836","O=C(CCCc1ccccc1Br)C(F)(F)F.O=C(N1CCc2c(Br)cccc2C1)C(F)(F)F"]
["178895407","C=[N+](C)C1C=CC(C=[N+](C2CC2)C2C=CC(C)C3CN(C)CC32)C2CN(C)CC21"]
["165256766","CC1CN(N2CCN(C)CC2)CCN1C"]
["30604267","CC1C=CC(N)C2CN(c3ccc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC12.Cl"]
["160954483","CN1C[C@@H]2CN(C(=O)C(C)(C)C3CCC(O)CC3)C[C@@H]2C1"]
["74730802","C[C@@H]1C2CC2CN1C"]
["185674282","CC(C)=C1C2C=CC1C1CN(C)CC21"]
["99760345","CC1[C@H]2CN(C)C[C@@H]12"]
["112489947","Cc1ccc(C)c(C(O)CN2CCCN(C)CC2C)c1"]
["76297764","CN1CC2CCC(N(C)C)C(C1)C2OC(=O)c1ccccc1Cl"]
["50749135","CN1C[C@@H]2C(N)CC(C)(C)[C@@H]2C1"]
["179119213","CN/C(=C\\C=C/C=O)C1CC2CN(C)CC21"]
["89692281","CNCC1CN(c2ccc(C)c(C)c2)CC(C)N1C"]
["179156337","C[C@@H]1C#CC#CN=NO1"]
["150417577","CC1C#CC(C)N=N1"]
["195360341","CC1N=NC(O)=CO1"]
["83964944","CC1C(O)OC(C)(C)C1C"]
["79197913","CC1NO[N]O1"]
["195912380","C1#CC2N=CC=N[C@H]2C#C1"]
["159168317","Cc1cn([C@H]2COC[C@@H]2C)c(S)n1"]
["75168768","C[C@@H]1O[C]=N[C@@H]1CO"]
["176872660","Cc1ccsc1C1=NO[C@@H](C)C1"]
["79962869","CC1N=C=NO1"]
["178416094","CCC1=NOC(C)C1Br"]
["180735523","CC1N[C-]=NO1.[CH3-].[U+2]"]
["171562892","C=C([N-][N-]C(=[C-]C)c1ccccc1N[C+](C)CC)SCCC.[U+2]"]
["MCULE-2079809014","CCCOC(=O)c1ccccc1N=C(O)CNC(=O)c1ccc(OCC)cc1"]
["64747336","CNc1ccccc1C(=O)OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1"]
["4781455","CC(C)(C)SCCN=C(O)Nc1ccccc1C(=O)N1CCCCC1"]
["91891747","CC(C)NS(=O)(=O)Nc1ccccc1CC(=O)O"]
["124461423","CSc1ccccc1NC(=O)C(=O)N1CCC(C(C)O)CC1"]
["57450533","C=C/C=C\\C(=C)CN=C(O)c1ccccc1N=CC(CC)N(C)C(=O)c1ccc(CCCC)cc1"]
["MCULE-4957476344","CSCCC(N=C(O)c1ccccc1F)C(O)=NCCC(C)C"]
["14799043","CCCCN1C(=O)/C(=N\\N=C(O)c2cncc(Br)c2)c2ccccc21"]
["168433046","CCOC(=O)c1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)O"]
["105758796","CCN=C(O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1"]
["76021201","CCCC[PH](CCCC)(CCCC)CCCC.O=C(O)c1ccccc1SSc1ccccc1C(=O)O"]
["151768654","BrC1=C(c2nn3c(C4CC4)nnc3s2)N=NC1"]
["43090559","O=Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(C3CC3)nn12"]
["69107192","O=S(=O)(c1ccc(Br)s1)N1CCC(c2nnc(C(F)(F)F)o2)CC1"]
["151987755","CS(=O)(=O)N1CC[C@H](c2cnc(N)c(Br)c2)C1"]
["114003460","N=c1ccn(C2CCN(c3ccncc3Br)CC2)[nH]1"]
["MCULE-4806398324","CCOC(=O)Cc1cc(O)n2nc(C3CC3)c(Br)c2n1"]
["10986997","CCN1CCN(CC(O)=[NH+]c2cc(-c3nn4c(C)nnc4s3)cc(Cl)c2OC)CC1"]
["68829238","CC(C)N(Cc1nnsc1N)CC1CC1"]
["MCULE-8538552085","CCOC(=O)c1cnc2c(-c3cc(Br)ccn3)c(C3CC3)nn2c1Cl"]
["123200536","CCCCC(=O)N1CSCC1C(O)=Nc1nnc(CC)s1"]
["80704536","CC(Sc1nnc(C2CCC2)n1C)C(=O)N(C)C"]
["MCULE-9430747011","CC(C)c1nnc2sc(CN=C(O)Cc3ccc(F)cc3F)nn12"]
["82513224","c1cccn2[nH][nH]ccn2cc1"]
["79120448","c1cccn2nnnnn2cc1"]
["58129073","c1ccc(N=c2[nH]cc3ccccn23)cc1"]
["105767152","C[C@H](Cn1cccc1)C(=O)O"]
["120491213","NCC#CCN1Cc2ccccc2C1"]
["172324122","Fc1[nH]ccc1Cc1ccccc1"]
["81363106","c1cn2cc[nH][nH]n2[nH][nH]1"]
["79122814","c1cccn2nccnn2cc1"]
["175152187","N=c1ccn(-n2cccc2)[nH]1"]
["73882543","CN([C]=S)n1cccc1"]
["190843409","CC.CC(C)(C)n1cccc1.CC(C)(C)n1cccc1"]
["94677180","CC(C(O)=Nn1cccc1)C1CNC1"]
["70533877","O=C1C2CC3C4CC56C(=O)C7CC8C9CC(C2)(C3C85)C(C14)C6C9C7"]
["102831243","Cl[C@]12C[C@@H]3[C@@H]4C[C@](Cl)(O1)[C@H]1[C@H]4C[C@H]3[C@@H]12"]
["162684299","O=C1[C@@H]2C[C@@H]3[C@@H](C2)O[C@@H]13"]
["32930252","CC1(C)C[C@H]2[C@H]3O[C@](C)(CC4=C3C(=O)OC4)[C@H]2C1"]
["155116794","O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)C2"]
["68459596","O=C1C2C[C@@H]3[C@H](C2)[C@@H]2C1[C@H]32"]
["179582697","CC1CC2CC3(CCOC3=O)CC2C1C"]
["50621678","O=C1[C@H]2C[C@@]34CCCC[C@@H](C3=O)[C@@H]3[C@H]4[C@H]2C[C@H]13"]
["56416212","O=C1C2CC3CC1CC(CO)(C3)C2"]
["52974250","O=C1C(C2CCCCC2)C(=O)C12CCCCC2"]
["66422853","O=C1C2CC3[C@@H](CO[C@H]13)C2"]
["98536736","O=C1CC(C23CC(C(=O)O)C(C2)C2C4C=CC(C4)C23)CCO1"]
["195677555","NCCOC1=C(CCN)C1"]
["178008561","NCCCOc1cc(Br)cnc1F"]
["120061827","NCCc1cc(F)c(Sc2ncco2)c(F)c1"]
["147765874","CC(C)C(=O)SCc1cccc(OCCN)c1.Cl"]
["34612416","NCCOc1ccc2c(c1)[nH]c1ccc(F)cc12"]
["88194746","NCCOC1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1"]
["55976305","Nc1ccc(COCCC(=O)O)cc1"]
["58443991","COc1cccc(OC)c1C(O)=NCCOCCN"]
["174447828","CC.CCc1nc(C2CC2)nc(OCCCc2ccc(Cl)cc2)c1CCN"]
["174358269","CC(OCCN)c1ccccc1.CCCc1c(F)cccc1C1CC1"]
["52676726","C[C@H]1C(NC(=O)O)C(=O)N1P(=O)(O)OCCN"]
["93421190","NCCOc1ccc(Nc2ncncc2Br)cc1"]
["186218805","ISN1CC2C(C1)C2OC1CCN(I)CC1"]
["131890428","CCOCCO[C@H]1CCN(C(=O)COCC)C1"]
["160314700","CO[C@H]1C[C@H](C(=O)N2CCCC(C(=O)N3CCCC3)C2)N(C(C)=O)C1"]
["160395972","OC(=NC1[C@H]2COC[C@@H]12)N1CCC(OC2CCCCC2)CC1"]
["173336496","C=O.COc1ccc(OC)c(SN2CCC(Oc3ccccc3)CC2)c1NO"]
["75519036","CN1CCC(OCO)CC1"]
["197796171","Cn1cc(C2CN(SI)CCO2)cn1"]
["175300933","N#C[C@@H]1CCCN1C(=O)CN1CC[C@H](OC(=N)O)C1"]
["104705257","COC1CCN(C[C@H](C)CN)CC1"]
["83275709","COC1CCN(c2cc(Br)nn2C)CC1"]
["178173816","O=C(COC1CCN(C2CCN(I)CC2)CC1)OCCN1CCOCC1"]
["190699088","CO[C@H]1CCN(C)C1.S"]
["172646377","b1cc2cc3c4c(bcc3cc2c2c1=CC=C2)=CC=N4"]
["161745281","C1=Cc2c(c3c(c4cnccc24)N=CC=3)=CC1"]
["173006219","O=C(O)c1cc(O)nc(O)n1.[H-].[K+]"]
["27692198","Oc1cc(Cc2c(C3=CC=C3)nc3cccnn23)c2ccc(F)c(F)c2n1"]
["83929020","O=C(O)c1cc(O)nc(O)n1.[H].[Rb]"]
["117459446","CC(C)N(Cc1ccccc1)C(=O)c1cc(O)nc(O)n1"]
["4347463","Cc1cc(C)nc(SCC(=O)OCc2cc(=O)n3c(C)csc3n2)n1"]
["97669497","C1=CC(C=C2N=CC=N2)=C1"]
["97588398","CC1=C2C=CC=C(Cl)N2C(C)(C)C12C=Nc1c(ccc3ccc(O)cc13)O2"]
["53219159","CC1=CC=c2cc/c(=C3/C=CC(=O)C(C#N)=C3)cc2N1"]
["106634501","N#CC1=CC=CC(=C2N=CC=CC2=O)N1"]
["69527177","O=C1C=CC=C2C(=O)N=CC=C12"]
["34396141","[3H]c1cc([3H])c2c(c1)-c1cc([3H])cc([3H])c1[I+]2.[Cl-]"]
["42651487","C=Cn1c2ccccc2c2ccnc(C)c21"]
["26564699","SSc1ccccn1"]
["195109779","[O-][NH+](O)C[C@@H](Nc1ccccc1)c1cccc([C@@H](C[NH+]([O-])O)Nc2ccccc2)c1"]
["175344431","[3H]c1ccccc1OC(=O)OC"]
["45723436","CC(Nc1nsnc1Cl)c1ccncc1"]
["173595838","NC1(c2ccccc2)C(N)(c2ccccc2)S1(=O)=O"]
["MCULE-2424803417","CCOc1ncccc1-n1ncc(C=NO)c1O"]
["74203692","C=[N+]=[N-].[N-]=[N+]=C1c2ccccc2-c2ccccc21"]
["111214349","Fc1cc(CNc2cc(Br)c(F)cc2F)ccc1Br"]
["61530357","C=C[C@@H](N)c1cccnc1Cl"]
["74687144","[S]C1=Nc2ccccc2NC1"]
["180440073","[CH2-][C-](C)C1C2[I-]C34C1C(C)C31C(C)(C)[I]C(C)C3[I][C@]1(C)C41[I-]C3[C@](C)(C(C)C)[I-]C21C"]
["179246978","CC(C)C1(C)C2(C)C3(C)C(C)(C(C)C)C4(C)C5(C)C(C)C6C(C)C27C(C)(C)C1(C)C43C657"]
["180298811","CC1C(S)CCC2(C(C)C)CC12C"]
["180529183","CC1[I-]C(C)(C)C2(C1C)C(C)C(C)C2(C)C(C)C"]
["150416783","CCCC(C)(C)C1(C)C(C)C2C(C)C(C)(C(C)C)C21C"]
["180589912","CC1CC2(C)C3(C)C(C)(C(C)C)C4(C)[I-]C5C6C(C)C27C28CC(C)(C1C)C2(C)C(C)(C)C8([C@H]5C)C6(C)C437"]
["176248593","[CH2-][C-]([I]C[C@H]1[I][C@@H](C)[C@H](C)[C@@H]1C)[C@@H](C)C(C)C"]
["178447824","CCC1(CC)C2C(C)C(C)(C)C1C(C(C)C)(C(C)(C)C(C)(C)C)C2C"]
["178464595","CC1C2C(C)[C@]3(C)[I-][C@](I)(C2(C)C(C)C)C(C)(C1C)C3(C)C"]
["180617430","CC(C)C1(C)C2C(C)C3(C)C4(C)C5(C)C(C)C6C(C)C47C(C)(C65C)C1(C)C237"]
["178364600","C[I-]C12C3C(C)C1(C)C(C)C1C(C)[I-]C(C)(C(C)C)C(C)C12C3C(C)(C)C"]
["150240409","CCC1C(C)C2(C)C(C)C(C)C2(C)C1C(C)C"]
["75702019","CCCC1S#CSC1(O)CCC"]
["90194182","CCCC12CCC(C1)C(O)=NC2"]
["84846673","CCCC1CC1(O)c1ccsc1"]
["96410214","CCCC1CNC(=NCC2CCSCC2)S1"]
["97400890","CCC[C@@]12O[C@@H]1C(=O)c1ccccc1C2=O"]
["57880538","CCCC(C)C(=O)N1C(C(=O)O)CSC1C(C)C"]
["44046846","CCCC1SCC(C(=O)O)N1S(=O)(=O)C(F)(F)F"]
["64665082","CCCC1OC2(CCC(C)CC2)OCC1CC"]
["150854587","CCC[C@H]1N=c2sc(=C(C)C)c(=O)n2C(C)=C1C(=O)OCC"]
["93080938","CCCC1CNC(=NCCC(O)=NC(C)(C)C)S1"]
["78653464","CCCCCCC1CCC(CCCCCCCCO)C(CCCCCCCCCCO)C1CCCCCC"]
["55907448","CCCC1CCC(CCCOCC(F)(F)F)(C(=O)O)CC1"]
["99604548","CC(C)(C)C1=CC(=CC2=C([O])C(C=C3C=C(C(C)(C)C)[Se]C(C(C)(C)C)=C3)=C2[NH-])C(=[SeH+])C(C(C)(C)C)=[O+]1.F[B-](F)(F)F"]
["99604601","CC(C)(C)C1=CC(=CC2=C(O)C(C=C3C=C(C(C)(C)C)SC(C(C)(C)C)=C3)=C2NCC(=O)O)C(=S)C(C(C)(C)C)=[O+]1"]
["183108004","CC(C)c1oc(=O)oc1Cc1oc(=O)oc1C(C)(C)C"]
["107963983","C[C@](O)(CNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1F"]
["24754598","CC(C)(C)c1cc(-c2cc(C(C)(C)C)[o+]c(C(C)(C)C)c2)cc(C(C)(C)C)n1.F[B-](F)(F)F"]
["79558821","CN(C)C=CC(=O)c1cccc(C(C)(C)C)c1O[SiH](C)C"]
["169285654","C[N+]1=C(C=C2C(=O)C(C=C3C=C(C(C)(C)C)OC(C(C)(C)C)=C3)=C2[O-])c2cccc3cccc1c23"]
["86690314","CC(C)(C)c1nc(C(=O)NCc2ccon2)n[nH]1"]
["171699663","CC(C)(C)SC1=CC(=CC2=C(NCC(=O)O)C(=CC3=CC(C(C)(C)C)=S(O)C(C(C)(C)C)=C3)C2=O)C=C(SC(C)(C)C)O1"]
["167261541","CC(=CC(C)=C1C=C(C(C)(C)C)[Se]C(C(C)(C)C)=C1)c1cc(C(C)(C)C)[se+]c(C(C)(C)C)c1"]
["3208191","CC(C)(C)c1cc(=NC(=O)c2ccc(Cl)cc2Cl)[nH]o1"]
["82023367","CCOC(=O)C1=CC(=CC=C2C=C(C(C)(C)C)OC(C(C)(C)C)=C2)C(=[OH+])C(C=Cc2cc(C(C)(C)C)[o+]c(C(C)(C)C)c2)=C1"]
["175365488","NN=C(O)N=Nc1ccoc1N=NC(O)=NN"]
["MCULE-7625174283","OC(Cc1cc(F)cc(F)c1)=Nc1cccc(F)c1-c1ccco1"]
["91744144","CC1(C)C(C(NN)c2occc2Br)C1(C)C"]
["64057706","NN=C(O)c1occc1Cn1ccc([N+](=O)[O-])n1"]
["180703741","CN=C(O)c1ccn(P)c1"]
["47520962","Cc1ccc(-c2csc(N=C(O)CN3CCC(N=C(O)c4occc4C)CC3)n2)cc1C"]
["114998709","Cc1coc(N=C(O)c2ccnc(O)c2)n1"]
["46463178","C=CCn1c(S[C@H](C)C(O)=Nc2cc(C)ccc2OC)nnc1-c1ccoc1C"]
["133972935","Cc1ccoc1C(O)=NCC(=O)c1ccc(Cl)cc1"]
["112617432","CCc1occc1C(O)=Nc1cc(C(=N)NO)ccc1Cl"]
["58986945","C[C@H](SC12CC3CC(CC(C3)C1)C2)C(O)=Nc1sccc1C#N"]
["140027878","Cc1ccoc1C(O)=Nc1ccc(F)cc1NC(C)C"]
["170628815","O[Si](CCCSS)O[Si](O)(O)CCCSS"]
["172292636","O=C(CS)OCCCSS"]
["79096451","CCO[Si](CCCSSSSC(=O)N(SC)SC)(OCC)OCC"]
["181628026","CCO[Si](CCCSCC[SiH2]OC(N(C)C)N(C)C)(OCC)OCC"]
["175235138","O[SiH](CCCS)O[Si](O)(O)O"]
["175914826","CCCO[Si](CCS[Si](C)(C)SCC[Si](OCCC)(OCCC)OCCC)(OCCC)OCCC"]
["198646708","CCOCCC[Si](CCCSC(C)C(C)=O)(CCCSC(C)C(C)=O)CCCSC(C)C(C)=O"]
["45501042","O[Si](O)(O)CCCSS"]
["166421729","CCCC[Si](O)(O)O[Si](O)(O)CCCS(=O)(=O)O"]
["91547726","C[Si](C)CC[Si](C)(C)O"]
["98280307","O[Si](O)(O)CCS"]
["176681338","SSCCOCCSS"]
["58860133","C[Si]1(C)O[Si](C)(C)[Si-](C)(C)=[Si-][O+]=[Si]=[O+][Si-]=[O+][Si+]=[Si-]1(C)C"]
["49197114","C[Si]1(C)[O+]=[Si-][O+]=[Si]=[O+][Si-]=[O+][Si](C)(C)[Si-](C)(C)=[Si]=[Si-]1(C)C"]
["62000516","C[Si]1(C)O[Si](C)(C)[Si-](C)(C)=[Si+][Si]1(C)C"]
["184862557","C[Si]1O[Si](C)(C)O[Si](C)(C)O[Si-](C)(=[Si-](C2CCC2)(C2CCC2)C2CCC2)[O+]=[Si-][O+]=[Si]=[O+]1"]
["98857636","CC1OC(CCC(C)(C)C)(C(C)(C)C)OC1C"]
["63639284","[CH-]=C(C)C([O-])N(CCC[Si]1O[Si](C)(C)O[Si](C)(C)[O+]=[Si]=[O+]1)C(=O)C(=C)C"]
["54327674","[O-]S1([O-])CCC(OCCC[Si]2[O+]=[Si-][O+]=[Si]=[O+][Si-]=[O+]2)C1"]
["168520770","C=Cc1ccc(COCCSCC[Si]2(C)O[Si-]=[O+][Si-]=[O+][Si-]=[O+]2)cc1"]
["161706339","C[Si]1(C)O[Si-]=[O+]S(C)(C)(C)(C)O1"]
["60571172","O=C1C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C([O-])=[Si-]12[O+]=[Si-][O+]=[Si]=[O+][Si-]=[O+][Si-]=[O+]2"]
["99820389","CCC1(C)[O+]=[Si-][O+]=[Si](C)O[Si](C)(C)O[Si-]1C"]
["52699670","C[Si-]1(C)=c2ccc(cc2)=[Si]=[O+]1.C[Si](CCC(F)(F)F)[O+]=[Si-]"]
["184999548","CN=C1C(C#N)C(C#N)=C2C(C#N)=C(C#N)/C(=N\\N3N=C4C(C#N)C(C#N)=c5c(C#N)c(C#N)c(n54)=N3)N12"]
["MCULE-7300939277","Cc1nn(-c2ccc(C3CC3)nc2)c(Br)c1C#N"]
["164722732","CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=N\\Nc1sc(C=O)c(Cl)c1C#N"]
["197743323","CN=c1[nH][nH]c(-c2nn3c(c2Cl)CCCC3)c1C#N"]
["MCULE-4538939155","Cc1cc(O)c(C(C2CCC2)n2nc(C)c(C#N)c2Cl)cc1C"]
["185976599","N#Cc1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21"]
["100164385","CN1C(=O)N(C)[C@]2(C)C[C@@H]3[C@@H](NC(=O)c4ccc(Br)n43)[C@H]12"]
["152608261","CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\\c1cccn1C"]
["MCULE-5940899737","Cc1ncsc1C(O)=Nc1ncc(-c2cccc(F)c2C#N)nn1"]
["MCULE-1262163391","Cc1nccc(-n2nc(C(C)C)c(C#N)c2C(F)(F)F)c1C"]
["20588970","CC1=C2[C@@H](c3cc(Br)c([O-])c(Br)c3)C(C#N)=C(N)O[C@@H]2N=N1"]
["116520912","CCc1noc(CC)c1CNC(=NC)NCC1CN(C)CCN1C.I"]
["179550042","I[I-]12CC[I-]CC1C2"]
["178506885","CC1CCC2CC(C(I)I)CC12"]
["184703055","CC1C[I-]CC(C)C1CI"]
["185528326","O=[P+](C1CC1)C1CC1"]
["179389068","CC1CC[C@H]2C1C[I-]C[C@@H]2C"]
["193407413","CN(C)C1CC[I-]C1"]
["195832253","OC1C[I-]C(O)O1"]
["184482448","C1CC2C[I-]CCC2S1"]
["178377353","C1CC2C1C1C[I-]CC21"]
["180163284","CC1CCC(N)CC[I-]C1"]
["178330471","C[I-]12CCC[C@@H]1C2"]
["180448780","I[I-]CC1CC[I-]C1"]
["175230168","FC1NNC2C(C1F)N(F)N(F)N(F)N2F"]
["26842379","FC1CN1F"]
["175203025","FC1=C(F)N(F)N(F)N(F)C1F"]
["161689177","FN1C(C(F)(F)F)N1F"]
["MCULE-9640286387","F[C@H]1C[C@@H]2C[C@H](C1)N2"]
["177183560","CN1CCN(C2C(F)CC3C(=O)C(=O)NC3C2F)CC1"]
["82740937","FC1C2CCCC1N2"]
["74872674","Cl.FC1CN(F)C1"]
["112398588","CC(C)(C)OC(=O)N1CC2CNCC(C1)C2F"]
["76105483","FC1NCCN1F"]
["MCULE-5806624954","F[C@H]1C[C@H](N2CCNCC2)C1"]
["76699468","FC1NNC(c2ccccn2)C1F"]
["172451438","NNC1=C(NN)N(NN)N(NN)N(NN)C1NN"]
["169281539","CO[C@H]1CC[C@H](NN)CC1"]
["169919637","C/C=C(\\C1=C(NN)C2CCN(CC2)C1)C(C)C"]
["120545547","COC(=O)C1C2C(=O)N(CCN)C(=O)C12"]
["23812753","N/N=C1\\N=NC(S)N1N"]
["169940776","NNC1CCC(N2CCC2)CC1"]
["148703943","CC1C(N)=C(N)C1C"]
["145383711","NNc1ccc(N)cc1S"]
["188790594","Bc1cccc(NN)c1N"]
["177996361","Cl.NN[C@H]1CC[C@H](N2CCC2)CC1"]
["108920923","CC(C)N1[C@H]2CC[C@H]1CC(NN)C2"]
["MCULE-1080622265","NNc1ccccc1C1C(CCCl)C1(F)F"]
["168748879","I[C]1C2=C=C(I)C(I)=C(I)C2=C(I)c2c(I)c(I)c(I)c(I)c21"]
["100234429","Ic1cc(I)c(I)c(-c2c(I)c(I)c(I)c(I)c2I)c1I"]
["MCULE-7368182091","CN(CC(C)(C)c1ccccc1)C(=O)CN1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O"]
["175911645","O=C1OC(S(=O)(=O)[O-])c2c(I)c(I)c(I)c(I)c21.[Li+]"]
["175911628","O=C1OC(S(=O)(=O)O)c2c(I)c(I)c(I)c(I)c21"]
["178653776","CNc1c(C(C)(C)C)cc(I)cc1C(C)(C)C"]
["MCULE-6200660647","CC(C)C(C(O)=N[C@H](C(=O)O)C(C)C)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O"]
["26489754","O=C1N=C(O)c2c(I)c(I)c(I)c(I)c21"]
["MCULE-1725325772","CCC(C)(N=C(O)C(Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O)C(=O)O"]
["169252772","CC(C)c1nnc(C(C)(C)n2cc(I)cn2)o1"]
["MCULE-4462628198","CC(C)N=C(O)C(C(C)C)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O"]
["MCULE-1758930744","CC(C)C(C(=O)N(C(C)C)C(C)C)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O"]
["175683435","C=C([C+]=C=C=C([CH2-])C)[C@H]1C#C[C@H]2[C@@H]3C#CC4=[C][C@@H](C#C[C+]=C(c5cc(Cl)c([O+]=[C-]c6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)[O-])c5)c5cc(Cl)c([O+]=[C-]c6ccc(-c7cccc([C+]([O-])[O-])c7)cc6)c(C(=O)[O-])c5)C#C[C@]4([CH2+])[C@H]3C#C[C@]12[CH2+]"]
["58333819","CC1=C/C(=N/Nc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)C(=O)C(c2cccc(C(=O)O)c2)=C1"]
["24185694","COc1ccccc1Oc1cc(-c2cccc(C(=O)O)c2)ncn1"]
["165726846","O=C(c1cccc(-c2cccc(Cl)c2)c1)N1CC[C@]2(O)CCNC[C@@H]2C1"]
["197984813","O=C(O)c1cccc(-c2n[nH]c3c2CC(O)CC3)c1"]
["60881185","O=C(O)c1cccc(-c2ccc(/C=N/N=C(O)C(O)(c3ccccc3)c3ccccc3)o2)c1"]
["MCULE-3140423768","Cc1ccc(C(O)=Nc2cncnc2)c(-c2cccc(C(=O)N3CCOCC3)c2)c1"]
["106529344","C[C@@H]1Cc2cc(-c3csc(-c4cccc(C(=O)O)c4)n3)ccc2N1S(C)(=O)=O"]
["MCULE-9482521832","O=C1CCCN1CCC1CCCCN1C(=O)c1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1"]
["164213126","CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCF)S(C)(=O)=O)c(-c3cccc(C(=O)O)c3)cc12"]
["MCULE-2203024219","CN(Cc1ccncc1)C(=O)C(c1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1"]
["78977405","COc1c(Cl)cc(CN(Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)S(=O)(=O)c2cc(C(O)=NCc3ccccc3)cc(Cl)c2O)cc1-c1ccc(Cl)cc1"]
["178483963","CCN(CC(C)=C(C)C(C)=C[NH+](CC)C(C)=CS)C(C)=CS"]
["21854241","C=C(C)CN(CC)C(O)=NCc1ccc(N(C)C)[nH+]c1"]
["50589310","CCN(CCS(=O)(=O)Cl)C(C)=O"]
["126905116","C=C(C)CN(CC)C(O)=Nc1ccccc1Br"]
["21782882","C=C(C)CN(CC)CC[NH2+]CCC"]
["103259297","C=C(C)CN(CC)C(=O)[C@H](N)[C@@H](C)CC"]
["46517378","CCCC(C)N(C)C(=O)N(CC)CC(=O)O"]
["51277032","CCN(CC1CCCO1)C(=O)N(CC(=O)O)C1CC1"]
["125896770","CCN(CC(C)C#N)C(=O)CN1CCN(S(=O)(=O)CC)CC1"]
["13524781","C=C(C)CN(CC)C(=O)c1cc(S(N)(=O)=O)ccc1C"]
["17356416","CCN=C(O)CN(CC)C(O)=NCc1ccc(Cl)s1"]
["99695417","CCOC(N)=C(C)C(=O)N(CC)CC"]
["97728377","c1c2ssc3cc4s[s+]c5cc6ssc1c6c(c23)c45"]
["120950749","Cc1cn2c(n1)sc1cc(CC3(N)CC3)ccc12"]
["162676710","OCc1cc(I)c2cc(CBr)sc2c1"]
["154567651","c1cc2ccc3ssc4ccc1c2c43"]
["163281155","CCOc1cc2c(I)cc(CCl)cc2s1"]
["62087280","Cc1cc(C)cc(CP(C)(C)=O)c1"]
["55491413","c1ccc(-c2nc(-c3ccccc3)[s+]s2)cc1"]
["88164849","O=C(O)CCc1cc2n(n1)CCS2"]
["176440692","CCc1cc(C(C)(C)C)[s+]s1.[O-][Cl+3]([O-])([O-])[O-]"]
["190074877","c1ccc(C(c2ccccc2)c2cc3ccc4cc(C(c5ccccc5)c5ccccc5)cc5ccc(c2)c3c45)cc1"]
["43733487","Cc1cccc(NCc2cccc(CO)c2)n1"]
["163056012","N#CCc1csc2cc(CO)cc(I)c12"]
["97322906","C1=C[c-]2cc3ccc([nH]3)c3c4cc5cc6ccc(cc7ccc(cc8ccc([nH]8)c(c8cc(cc9[cH+]c%10c(c(c1[nH]2)c1cc2cc%11ccc(cc%12ccc(cc%13ccc([nH]%13)c%10c1[nH]2)[nH]%12)[nH]%11)-n-9)[nH]c83)c4[nH]5)[nH]7)[nH]6"]
["79675765","OCCCCCc1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2"]
["175571720","N=c1c2[nH]c(cc2N)cc2ccc(cc3nc(cc4c(-c5ccccc5)c(N)c1n4N)C=C3)[nH]2.[Mn]"]
["173185388","CN1C=CC(c2c3nc(cc4nc(cc5ccc(cc6ccc2[nH]6)[nH]5)C=C4)C=C3)C=C1"]
["73684007","CCCCCc1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2"]
["160973113","CCCCCCCCCCCCCCOc1cc(-c2cc3cc4ccc(cc5nc(cc6nc(cc2[nH]3)C=C6)C=C5)[nH]4)cc(OCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCC"]
["75230445","C1=Cc2cc3ccc([nH]3)c3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.CCC(Br)(CC)C(O)=NC(=N)O"]
["79238625","CCc1c2nc(c(CC)c3[nH]c(cc4nc(cc5ccc1[nH]5)C=C4)c(CC)c3CC)C(CC)(CC)C2(CC)CC"]
["78240283","O=S(=O)(O)c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2"]
["168612265","C1=Cc2cc3cc(C(=C(c4ccccc4)c4cc5cc6nc(cc7ccc(cc8nc(cc4[nH]5)C=C8)[nH]7)C=C6)c4ccccc4)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3"]
["171246479","COC(=O)C1=Cc2nc1c(C(F)(F)F)c1ccc(cc3ccc([nH]3)c(C(F)(F)F)c3nc(c2C(=O)OC)C=C3)[nH]1"]
["110887291","C1=Cc2cc3ccc([nH]3)c(-c3c4nc5cc6cc7c8cc9cc%10cc(c(cc%11nc%12cc%13cc%14c%15cc(cc%16cc(c3[nH]%16)c%11c%12)nc%15c(c7[nH]6)c(c8n9)c%14[nH]%13)[nH]%10)c4c5)c3nc(cc4ccc(cc1n2)[nH]4)C=C3"]
["189215808","Bc1ccc2c(c1)c1ccc(B)c(B)c1c1cc(B)c(B)cc21"]
["78650223","Bc1cccc(C(=O)OCC)c1"]
["178051960","Bc1ccnc(C(C)(C)C)c1"]
["78462086","Bc1ccc2[nH]c3ncccc3c2c1"]
["90966855","c1ccc2c(c1)c1ccccc1c1cc3c(cc21)c1ccccc1c1cc2c(cc31)c1cccc3c4cccc5c6ccccc6c6ccc2c(c13)c6c54"]
["162923183","Cc1ccc2c(CBr)csc2c1N"]
["78411730","Bc1ccc2c(c1)Sc1cc(B)ccc1S2"]
["188902410","Cc1ccc2c(C)c(C(C)(C)C)oc2c1"]
["175018730","CC.Cc1ccc2c(C)cn(C)c2c1"]
["175833129","Cc1ccc2c(c1)sc1ccc3c(ccc4sc5cc(C)ccc5c43)c12"]
["175083317","Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(C(C)C)ccc2c2c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4c4cc(C(C)C)ccc4c32)cc1"]
["124358450","Cc1cc(C(O)=NCC(C)N(C)Cc2ccccc2)cc(Cl)n1"]
["81682990","O=C1N2CCC3C=C[Se]C3=C2CC2c3[se]cc[n+]3CCN12"]
["158340860","CC[C@@H]1CCC[C@@H](CN2CCOC[C@H]2c2ncon2)C1"]
["17365093","Cc1cc(C)cc(N2CC[C@H](C(O)=NCCC(O)=Nc3cccnc3)C2=O)c1"]
["143016240","Cc1noc(C)c1CN1CCN(C2CCN(c3ccc(Cl)cc3)C2=O)CC1"]
["107387324","Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cc(Cl)cn1C"]
["156986772","C[C@@H]1CC[C@H](N2C[C@@H](N)CC2=O)C1"]
["178005526","Cc1cccc2nc([C@@H]3CCCN3c3ncnc4ncnc(O)c34)n(C3=CCCC=C3)c(=O)c12"]
["6789292","NC(=O)c1ccc(CN2C(=O)[C@H]3CCCN3C2=O)cc1"]
["160490226","CC1(C)N=C(O)CCC1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1"]
["164678602","Cc1cccc(-n2c([C@@H]3CCCN3c3ncnc4ncnc(O)c34)nc3cccc(Cl)c3c2=O)c1"]
["117120999","COc1cc(N2C(=O)[C@H]3COCN3C2=O)c(F)cc1Cl"]
["143754729","O=C(c1sc2ccccc2c1Cl)N1CCCC(N2CCNCC2=O)C1"]
["195909252","FN=C(Cl)/C(Cl)=C(Cl)\\C(Cl)=C(\\Cl)I"]
["175645438","CC(=O)/C(Cl)=N/OS(=O)(=O)Cc1ccccc1"]
["58364621","CCC(I)C(=O)Cl"]
["169946331","C=NC(Cl)=N/C=C(\\C)O"]
["179724431","C=C(Cl)N=NCCC"]
["198356176","C=C(Cl)N=NCC"]
["161776195","CC(=O)N(F)C(F)(F)C(=O)Cl"]
["180423506","CC(=NC(C)=C(C)C)/C(N)=C(/Cl)I"]
["79268851","O=S(=O)(Cl)N=NO"]
["79513717","FC(F)=C(F)Cl.[Zn]"]
["101031425","C/C(Cl)=C(\\I)C(=O)O"]
["174233515","C=N/C(C)=N\\C(=C)Cl"]
["161678583","COCOCCOCCOC(CSOSOC)C(OCCOSOC)OCOC"]
["69495744","CC(=CCC(C=O)OCOCC[Si](C)(C)C)CCCC(C)COC(=O)C(C)(C)C"]
["92212110","CCCCOCCOC(CO)C(N)C1CC1"]
["111015858","CCC[n+]1ccccc1.COCCOCCOCCC(=O)[O-]"]
["188832294","CC(C)CN(C)CCOCCOC(C)C"]
["198246928","CC(O)C(CO)OC(OCCOCCS)C(O)O"]
["32353941","C=C(C)C(O)[C@@H](OCOC)[C@H](CCOCOC)CC(=O)OC(C)(C)C"]
["171011471","COC(C)OCCOCCOCCC[Si](C)(C)O[Si](C)C"]
["32983974","COCOC[C@@H]1CC=CCO1"]
["181370222","COC(CON=[N+]=[N-])C(OCCOCC(C)C)OCCOC(C)(C)C"]
["95629048","CCNC(C)COCCOCCOCCOC"]
["111015971","CCOCC[P+](CC)(CC)CC.COCCOCCOCCOCCC(=O)[O-]"]
["187200313","C1=CC(C2=C=C(C3=[C-]C4=[B-]5C6=C=C(N7[C-]=CC[N-]7)C=CC6Sc6cccc(c65)SC4=C=C3)C#S2)=C=C2B3C4=C=C(N5C=C[CH-][N-]5)C=CC4Sc4cccc(c43)SC=12.[Pt].[Pt]"]
["184287434","C.CO[C@H]1CCC[C@@H]1N1C=C2C(F)=C=C(Cc3ccc(N4C=C[CH-][N-]4)cc3)C=C2C1=O.[U+2]"]
["194578100","Cc1ccc(N2C=[C-]N(C3=[C-]C(n4c5c(c6c4=C=C(N4[C-]=CN(C7=C[CH-][C-](C)C=C7)C4)C=C=6)=C=CC(N4[C-]=CN(C6=C=CC(C)C[CH-]6)C4)=C=5)=C=C(N4C=CN(c5ccc(C)cc5)C4)[N-]3)C2)cc1.[Pt+4].[Pt+4]"]
["187200251","C1=CC(C2=[C-]C(C3=C=C4B5C6=C=C(N7C=C(c8ccccc8)[CH-][N-]7)C=[C-]C6Oc6cccc(c65)OC4[C-]=C3)=[C-]C2)=C=C2B3C4=C=C(n5cc(-c6ccccc6)cn5)C=CC4Sc4cccc(c43)SC=12.[Pt].[Pt]"]
["187200373","C1=CC(C2=C=C(C3=[C-]C4=[B-]5C6=C=C(N7C=C(c8ccccc8)C[N-]7)C=[C-]C6Sc6cccc(c65)SC4=C=C3)C#S2)=C=C2B3C4=C=C(N5C=C(c6ccccc6)[CH-][N-]5)C=CC4Sc4cccc(c43)SC=12.[Pt].[Pt]"]
["178233394","N=C1NCC(C2=CC3NN=CC3C=C2)C=C1N=c1ccc(N2CCOCC2)n[nH]1"]
["187200364","CN1C=C[N-][C-]1C1=C=C2B3C4=C=C(c5[c-]oc(C6=C=C7B8C9=C=C(c%10nccn%10C)C=CC9Sc9cccc(c98)SC7=C=C6)[c-]5)C=[C-]C4Oc4cccc(c43)OC2[C-]=C1.[Pt].[Pt]"]
["187200382","C1=CC(C2=C=C(C3=C=C4B5C6=C=C(N7[C-]=CC[N-]7)C=[C-]C6Oc6cccc(c65)OC4[C-]=C3)C#S2)=C=C2B3C4=C=C(N5C=C[CH-][N-]5)C=CC4Sc4cccc(c43)SC=12.[Pt].[Pt]"]
["184627025","CN1C=CN(c2[c-]c(N3C4=C=C(c5nc6cccc(-c7ccccc7)c6n5C)C=C=C4C4=C=C[CH-][N-]C43)ccc2)C1.[Pt]"]
["200317331","CN1C=C[N-][C-]1C1=C=C2[B-]3=c4c(c5c6c(c4=S=C4N=CC(c7nccn7C)=C=C34)=S=C3N=CC(c4nccn4C)=C=C3B6C3=C=C(C4[N-]C=CN4C)C=C=C3S5)=S=C2C=C1.[Pt+2].[Pt+2]"]
["200317336","CC1=C[C-](C)[N-]N1C1=C=C2[B-]3=c4c(c5sc6c([b-]7c8c(sc(c5-7)c4=S=C2C=C1)=C=CC(N1[N-]C(C)C=C1C)=C=8)[C-]=C(N1C=CN(C)C1)C=C=6)SC1=C=CC(N2C=CN(C)C2)=C=C31.[Pt].[Pt]"]
["184829815","CN1C=CN(C2=C=C3C(=C=C2)c2ccccc2B2c4ccccc4C4[C-]=CC(N5C=C[CH-][N-]5)=C=C4N23)C1.[Pt]"]
["181064010","[N-]=[N+]=NC1CC2OPOCC3CC(CO3)OP(SS)OCC2O1"]
["150679730","C[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O)C1"]
["183735564","[N-]=[N+]=NC1CCc2cccc(N)c2C1"]
["183576720","[N-]=[N+]=NC1CCC(O)C(Cl)C1F"]
["166770496","CC(=O)O[C@H]1[C@H](OC(C)=O)C(N=[N+]=[N-])C2OC[C@H]1O2"]
["183345587","[N-]=[N+]=NC1NOC=CCO1"]
["184034566","[N-]=[N+]=NC1CCC(CS)CC1"]
["163005761","CO[C@@H]1O[C@H](C)C[C@@H](O)[C@@H]1N=[N+]=[N-]"]
["182966452","COB1OCCC(N=[N+]=[N-])O1"]
["183975671","[N-]=[N+]=NC1CC(=O)OCO1"]
["181952725","[N-]=[N+]=N[C@@H]1CC[C@H](C(O)=NC[C@@H]2CCCO2)C1"]
["70652995","CC1CN(C2CC(N=[N+]=[N-])C(COP(=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(CC(N)C(=O)OC(C)(C)C)cc3)O2)C(=O)N=C1O.Cl"]
["68710299","CC1=C=C[C+](C(C)C)CC2=C1C(=c1c(=O)c(=C3C=C(C)C4=C3C(C)=CC=C(C(C)C)[CH-]4)c1=[OH+])C=C2C"]
["83053927","Cc1ccsc1CC(C)NC1=CC=NC(=O)C1=c1nc2c([nH]1)=CC1C(=O)N(CCN3CCS(=O)(=O)CC3)CC1=C2"]
["111763288","Cc1csc(C(=O)N(C)C(C)C(=N)S)c1Cl"]
["161773027","CC1=CC(=NS(C)(=O)=O)C(C(C)C)=C(N)C1=O"]
["97698221","CC1=CC(=O)N([C@@H](C)c2ccccc2)C1=O"]
["154104488","CC1=C[C@H]2[C@H]3C(=O)N(N4CCCCS/C4=N\\c4ccc(I)cc4)C(=O)[C@@H]3[C@@H]1C[C@H]2C(C)C"]
["74861733","CC(C)C1=CC(C(C)C)=C2N=C=NC2(C(C)C)C1"]
["107503268","Cc1csc2c1C(=O)C[C@H](C(=O)O)C2"]
["143924281","Cn1ccc(N2CCCC(Sc3nnc(-c4cnccn4)n3C)C2=O)n1"]
["163318206","CC1=CC=CC(=C2NN=C(C(C)N)O2)C1=O"]
["MCULE-9656389537","Cc1cc(-n2ccc(C3CC3)n2)cn(C)c1=O"]
["159697071","CC(C)c1cnc(SC2CCCN(c3ccn(C)n3)C2=O)n1C(C)C"]
["76979101","CC1=CCCC2=CC(CC(C)=CCC3=CC(=O)C(=CC3=O)C1)C1(C=O)CC3C=C4CCC=C(C)CC5=CC(=O)C3(CC1C2)C(C4)C5=O"]
["CNP0342883.6","C/C1=C/CC[C@]2(C)O[C@@H]2C(=O)C2=CC[C@@H](C)[C@@](C)(CC1)[C@@H]2C=O"]
["62238858","C/C1=C/CC2C(CC2(C)C)/C(C)=C\\CC1"]
["34279532","C=C(C=O)[C@H]1CC/C(C)=C/CC/C(C)=C/CC[C@@]2(C)O[C@@H]2C1"]
["148689641","CC1=CCC2=C(C1)[C@@]1([Si](C)(C)C)CC(C)=CC[C@H]1C2=O"]
["97549043","CC1(C)OC1[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)CC[C@H]4Cc5c([nH]c6ccc7c(c56)C[C@@H]5[C@@H](C7=O)C(C)(C)OC5(C)C)[C@@]43C)O[C@@H]2C(C)(C)O1"]
["195017657","C/C1=C/CC[C@@H](C)[C@H]2CC[C@](C)(O2)[C@@H](O)[C@H]2OC(=O)[C@H](C)[C@H]2C(=O)C1"]
["162161405","CC1=CCC(=C(C)C)C(CC=O)C1"]
["174174868","CC.CC1=CCCC(C2=CC(F)=CCC2)C1"]
["65083919","C=C(C)[C@@H]1CCC(C)=CCC[C@]2(C=O)[C@@H](CC3=C[C@@H]2C/C(C)=C/[C@@H](OC(C)=O)c2cc(OC(C)=O)c(cc2OC(C)=O)CC(C)=CCC3)Cc2cc(OC(C)=O)cc1c2OC(C)=O"]
["174673586","CC1=CCCC(C(C)(C)C(=O)O)C1"]
["171921154","CC1=C2[C@@H](C/C(C)=C\\CC[C@]34O[C@H]3[C@H]2OC4=O)OC1=O"]
["83543655","NC1=NC(N)N=C2NC(=S)N=C12"]
["76087075","CN1NN=C(O)C1N"]
["76474920","CN1CCN(C2C(F)=CC3=NC(=S)NC3=C2F)CC1"]
["178007389","Cl.Cl.NC1=C(N)C(O)=NC(N)N1"]
["76983648","CC1=CC(=S)N=CC1N"]
["163074606","NC1NC(O)=NC2COCC21"]
["185533754","NC1=NC(N)(CC2CCCCC2)C=C2NCN=C21"]
["91401359","NC1C=CC2=NC(=S)N=C2N1"]
["75767576","CCOOCC1=C(C)NC(C)=C(C(=O)OCC)C1c1cnc(O)c(N)c1"]
["145439303","NC1=NC(S)N=C2N=CN=C12.O=S(=O)(O)O"]
["159186292","C[C@@H]1COC[C@@]12NN=C(O)[C@H]2C"]
["81966545","N=C1N=C(O)C2N=C(c3cc(Cl)ccc3Cl)N=C2N1"]
["45695579","POC1=C2O[C@H]3[C@]4(OP)CC[C@]5(CC4)[C@H]4C=C(C=C1)[C-]2[C@@]35CCN4.[W]"]
["178099395","Fc1cccc(SC23CCNC2CNc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)c1"]
["145071543","Brc1cc(C2CCCN2)cc2c1OCC1(CC1)CO2"]
["48124430","COC1=CC=C2C3CC4C=CC(OC)=C5O[C@@H]1[C@]2(CCN3C)C54"]
["55299606","CC1=C(C)[C-]2C(=CC3C[C@@]2(C)CCN3C)C=C1.[Rh]"]
["179708370","C1=CC2=C3C(C1)OC1CCCC4C(C2)NCCC314"]
["100576196","COc1ccc2c3c1OC1[C@@]4(OC)CC[C@@]5(C[C@@H]4[C@](C)(O)C(C)(C)C)C(C2)NCC[C@]315"]
["180415046","CC1(CN2C3=NC(N=CC4C=CC(N5CCNC(C)(C)C5)=CC4)CC=C3C3C=CNCC32)CC1"]
["98713775","Cc1cc(C2CC2)cc(C)c1C1C(=O)C2(CCNCC2)N=C1O"]
["98576040","COC1C=CC2=C(C1)C13CCCCC1C(C2)NCC3"]
["70435796","COC1=C2OC3CC(O)C=CC34CCNCC24CC=C1"]
["192076747","COc1cc(Br)c2c3c1OC1CC(=O)C=CC31CCN(C=O)C2.COc1cc(Br)c2c3c1OC1CC(=O)C=CC31CCNC2"]
["188788286","[H+].[H+].[O-][N+]#CCBN1CC[N-][C+]1[O-]"]
["157262008","CCN[C@@]1(C#N)CCN2CC[C@H]1C2"]
["196599889","[K+].[O-]CC1(CN2CCC2)CC1"]
["198469402","[C-]#[N+]C1(CO)CCN(B(C)O)CC1"]
["44032361","CC1(C)C2CCC1(C)[C@@](O)(CC(=O)[O-])C2"]
["100942654","CC1(C)N([O-])C(CN2CCN(CC3=[N+]([O-])C(C)(C)C(C)(C)N3[O-])CCN(CC3=[N+]([O-])C(C)(C)C(C)(C)N3[O-])CC2)=[N+]([O-])C1(C)C"]
["175766548","COCc1cccc(CC#[N+][O-])n1"]
["171531654","CC1CN(CCC#[N+][O-])CC(C)O1"]
["57969578","O=C([O-])CN1CC[N-]CCN(CC(=O)[O-])CCN(CC(=O)O)CC1.[68Ga+3]"]
["74969186","O=C1c2ccccc2C(=O)N1CC#[N+][O-]"]
["6814064","CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(CC(=O)[O-])C2"]
["112717537","CSC1(CN2CCNC(C)(C3CC3)C2)CC1"]
["180484047","PC#C[C@]12CCCC[C@@]1(C=C(Br)Br)C2"]
["183341594","CC=C(C)OC1(C#CC2(OC(C)=CC)CCCCC2)CCCCC1"]
["171362891","O=CC1(P(=O)(O)O)CCCCC1"]
["78168408","O=C(O)/C(Br)=C/C1(C(=O)O)CC1"]
["158232102","CN(C(=O)[C@]1(C#N)CC12CCCC2)C1CCC1"]
["157024362","C#C[C@]1(O)CCCC[C@H]1OC"]
["62345196","COc1ccc(N=C(O)C2(C)CCCN2)cc1OC"]
["159125339","C#C[C@@H](O)[C@@]1(OC)CCCNC1"]
["100882141","C[Si](C)(C)C#C[C@@]1(O)CCC/C1=C\\[Si](C)(C)C"]
["113767893","COC1CCCC(O)(C2(C#N)CCCCCCC2)C1"]
["97019326","CC(=O)/C=C/C(=O)[C@]1(C)CCCC1(C)C"]
["173665930","[B]C1(C(C)=O)CCCC1"]
["147826241","Fc1cc2c3[cH+]c3c3[cH-]c(F)cc3c3[cH-]c3c2[cH+]1"]
["168751704","c1ccc2c(c1)nc1n(-c3ccc4c(c3)c3ncccc3c3[cH+]c5c6cccnc6c6ccccc6c6ncccc6c5[cH-]c3c3cccnc43)c3ncccc3n21"]
["162866233","COc1ccc2sc(F)cc2c1OC"]
["175778813","Cc1csc(=O)n1-c1noc2c(F)c(F)c(C3OCCO3)cc12"]
["101968055","N#Cc1cc(F)cc2c(=O)n(-c3cc[nH]n3)c([C@@H](N)C3CC3)nc12"]
["26877954","Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(CCO)c3c2)c1=O"]
["98374566","O=c1oc2c(F)cccc2cc1Cc1cc2cccc(F)c2oc1=O"]
["CSSS01429075175","Oc1nc(-c2cnsc2)nc2ccc(F)cc12"]
["162630168","O=Cc1c(I)sc2ccc(F)cc12"]
["153366643","CN1Cc2c(ccc3c2ccn3C)[C@@H](c2cc(F)cc(F)c2)C1"]
["147869524","CC(C)(O)C#Cc1cc(F)cc(F)c1-n1cccc1"]
["163165272","O=Cc1cc(C(F)F)cc2c(Cl)csc12"]
["167336597","N#CC(=C=[N-])[N+]1=C=C[N+](=C(C#N)C#N)C[CH-]1"]
["173968118","N#CC(C#N)=C1Nc2cc3cc4c(cc3cc2O1)NC(=C(C#N)C#N)O4"]
["181593224","N#CC1=CC(N=[N+]=[N-])CN1"]
["100927037","N#CC(C#N)=C1C[C@@H]2C=C[C@H]1C2"]
["5821977","N#C/C(=C\\c1ccc(Cl)c([N+](=O)[O-])c1)C(=N)O"]
["47698191","CC(=C=[N-])C#N"]
["42041550","N#CC(=C=[N-])C(=C(C#N)C#N)C(C#N)C#N.[Na+]"]
["152096893","N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1"]
["163667011","CCOC(=O)C(C(=O)OCC)C1(C#N)CC2CC(CC)=CC21"]
["32175254","N#CC(=C=[N-])C(C#N)(C#N)C1C=C(C[C+](C2CC2)C2CC2)CC1"]
["157961034","CS(=O)(=O)N1CCC(=C(C#N)C#N)CC1"]
["83634019","N#CC(=C=[N-])C1=NC(O)(C2CC2)C([n+]2ccccc2)C(c2ccccc2F)C1C#N"]
["195105785","COC1CCC2CC1OC1CCC(CC1)C[C@H]1C3CC(OC4C([O-])C(OC)CC5CCN(C)C(C2)C54)C(OC)CC3CC[NH+]1C"]
["182277923","[N-]=[N+]=NCCOC1CC2CC1C1C2CC2OC21"]
["24519762","COc1cc(CN2CCN(C3CC4CCC3C4)CC2)cc(OC)c1OC"]
["167180531","CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)[C@H](OC)CN(C)C(=O)c3cc([N+](=O)[O-])ccc3OC[C@@H]1O2"]
["100289003","N[C@@H]1CCN(C(=O)C2=CN3C4CC5CCCCC5CC4OC4C(NCCN5CCCC5)C(F)CC(C2=O)C43)C1"]
["180705471","COC1CCC2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5OC1C2[C@]45CCN3C"]
["195059794","CO[C@@]12C[C@]3(CCC4C5C(CC[NH+]4C)CC([O-])C(O1)C53)CC[C@@H]2O"]
["100193665","CN1CCCC1CCNC1C(F)CC2C(=O)C(C(=O)N3CC[C@H](CC(=O)OC(C)(C)C)C3)=CN3C4CC5C(CC4OC1C23)C(=O)C1CCCCC15"]
["86231531","COc1ncnc2c1nc(S)n2C1CC2CCC1O2"]
["168801148","Cc1ccc(COC2CCC3C(CCC4C(C5CCN(CCO[C@H]6C[C@@H](CC(=O)O)C6)CC5)NC(C)NC34)C2)cc1"]
["132142791","COCCN1CCC(CN=C(O)N2CCN(C3CC4CCC3C4)CC2)CC1"]
["97574187","C[C@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@@H]2CCCN(C)[C@H]2C1"]
["178755839","O=C(c1cccc(C(O)C2=C3C=CC4CC=CC5C=CC(C=C2)C3C54)c1)C1CC=C2C=CC3=C4C2C1C=CC41CC1C=C3"]
["75339118","CC(C)(C)c1cccc(-c2cc(=NC(=O)C3CCC(O)=NC3)[nH]n2C2CCOCC2)c1"]
["124283312","O=C(c1ccnc(F)c1)N1CCOCC1CC(O)c1ccccc1"]
["57402005","COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N3Cc4ccccc4C[C@H]3CO)O[C@]3(C(O)=Nc4ccc(N5CCOC5=O)cc43)[C@H]2C)cc1"]
["170393095","CN1C(C)(C)CC(OC(=O)c2cccc(I)c2)C1(C)C"]
["67114584","O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)c1"]
["150738245","CC(=O)OCC[C@@H](C)n1c(N=C(O)c2cccc(C(F)F)c2)nc2cc(N3CCCOC3=O)ccc21"]
["178967053","COC1C=CC([C@@H]2C[C@]23C(=O)N(Cc2cccc(C(=O)O)c2)c2ccccc23)=CC1"]
["59838186","Cc1cccc2c1CC1(CC2=O)CC2C=CC1C2"]
["77164549","COC(=O)CCCCN1C(=O)C2(OC(CCn3cc(C(CO)c4ccccc4)nn3)C([Si](C)(C)c3ccc(OC)cc3)C2C)c2cc(N3CN(c4ccccc4)C4(CCNCC4)C3=O)ccc21"]
["152172511","COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1"]
["186557059","CN1CC(C(O)=NC(c2ccc(C(F)(F)F)cc2F)C2CC2)N(C(=O)c2cccc(S(C)(=O)=O)c2)C1=O"]
["173998487","CC(C)C12CCCC3(C45CCCC(OC67CCCC8(S(=O)(=O)C9%10CCCC(O)(CCC9)C9(C)CCCCC%10(C)CCC9)/C9=C(/CC6(C)CCCC98C)C7)(CCC4)C4(C)CCCCC5(C)CCC4)CC4=C1C2(C)CCCCC3(C)C4"]
["56231878","COCCn1c(=NC(=O)CS(=O)(=O)C(C)=O)sc2cc(OC)ccc21"]
["82461344","C=CC1CC1(N=C(O)C1CC2(CN1C(=O)C(N=C(O)C(CC(=O)N1CCCCC1)C(C)(C)C)C(C)(C)C)C(C)(C)C21CCC1)C(O)=NS(=O)(=O)C1CC1"]
["81057044","CN(C)S(=O)(=O)CCOC12CCCCC1(S(=O)(=O)c1ccc(Cl)cc1)c1c(F)ccc(F)c1OC2"]
["17228013","COc1ccc2nc(N3CCN(C(=O)c4cccc(S(=O)(=O)C(C)C)c4)CC3)sc2c1"]
["187963120","COc1ccc2nc(O[C@@H]3C[C@H]4C(O)=N[C@]5(C(O)=NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\\CCCCC[C@H](N=C(O)OC5(C(F)(F)F)CCC5)C(=O)N4C3)c(C(F)(F)F)nc2c1"]
["193366407","CCc1nc2ccccc2nc1O[C@@H]1C[C@H]2C(=O)C[C@]3(C(O)=NS(=O)(=O)C4CC4)C[C@H]3CC(F)(F)CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N2C1"]
["97435696","C[C@]12CCC[C@@]1(O)CCC2"]
["60391686","CCOCCC1(C(O)=N[C@@H](Cc2ccccc2)[C@@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)CCCC1"]
["172817640","C[C@]12CC[C@H](OCCOCCN3CCCC3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3ccoc3)CC[C@@]12O"]
["184474417","O=C([C@@H](CO)C1=NC=CCC1)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]
["CSSS14831857726","COC(=O)c1cnc(C(=O)N2CCC(C)(C(O)=NC(C)C3CC4(CCC4)C3)CC2)cn1"]
["173808067","[B+]C1([B+])CN(C2=[C+]NC([N-][C+]3[N-][CH-]c4c(C)c(C(C)[O-])c(=O)n(C5CCCC5)c4[N-]3)=[C-]C2)CC([B+])([B+])[NH2+]1"]
["200237583","Cc1cc(Br)c2nc(N3Cc4ccccc4C3)n(C3CCC3)c(=O)c2c1"]
["105017620","CN[C@@H](C)c1cnn(C2CCCC2)c1C"]
["30589867","Cc1nnn(CC(C)n2nnc3cc4c(=O)n(C5CC5)nnc4cc3c2=O)n1"]
["178813874","CC(=O)c1c(C)c2cnc(Nc3ccc(N4CC5CCC(CC4=O)N5)cn3)nc2n(C2CCCC2)c1=O"]
["93472695","Cc1nc(=O)n(C2CCSCC2)c(C)c1C(C)C(=O)O"]
["154880153","Cc1cnc(N2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)nc1"]
["21328094","COc1ccc(N=C([O-])c2ccc3c(=O)n(C4CCCCC4)c(S)nc3c2)cc1Cl"]
["170325651","COC(CC1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CC1)OC"]
["162715228","CC(C)N1CC(=O)N2CCC1CC2"]
["68025731","CC(C)n1ccnc(N2CCC(C(=N)N)CC2)c1=O"]
["MCULE-5456823348","CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)C2c2ccco2)c1"]
["57580218","C1CC23CCCC2(C1)[C@@]12CCCC4(CCCC4)[C@@]1(CCC2)O3"]
["110823068","CC1(C)C[C@@H]2C[C@@](C)(CN2CC#C[C@]2(C)CCCC(C)(C)O2)C1"]
["171034900","FC1(F)CCCC12CO2"]
["3370143","ClC1(Cl)C[C@]12CCC[C@]21CC1(Cl)Cl"]
["6758914","C1CC12CC[C@]13CCC4(CC4)[C@]21[C@@]1(CC3)CO1"]
["47823655","CC1=C(C)CC23CCCC2(COC3)C1"]
["111716284","COC(=O)C1(Cl)OC12CCCC(C)(C)C2"]
["27014465","C[C@@H]1O[C@@H](O)[C@@]2(O)C3(CCCCC3)[C@@]2(O)[C@H]1O"]
["197348578","O=C1CC2(CCC2)C12CC2"]
["157979391","NC[C@]1(N)CCCC12CCCC2"]
["55563801","C1CCC2(CO2)C2(C1)COC2"]
["150298070","CC1(C)CCCC12CCCC2"]
["192309531","CC[NH+]1C(=O)C2(C(=O)[N+](=B[N+](=C=[OH+])[C-][O-])[C-]2O)C1=[OH+].C[N+]([C-]=O)=[C-][O-].[W]"]
["78061163","CC1(C)C(=O)N(C2=C=C(C(F)(F)F)C(=C=[N])C=C2)C(=O)C1(C)CC=O.[Y]"]
["87573971","CCC(=O)c1ccc(OCC(O)=NC)c([N+](=O)[O-])c1"]
["81804435","CC1=C(C)C(=O)[N+](Cc2ccoc2C(=O)O)=NC1=O"]
["81804460","CC1=C(C)C(=[OH+])N=[N+](Cc2ccc(C([NH-])=S)cc2)C1=O"]
["21606975","CCCn1nc(C(=O)O[C@H](C)C([O-])=C2C=CC(=NS(C)(=O)=O)C=C2)ccc1=O"]
["81935148","CCCNCC(C)CN1C(=O)C([N+](=O)[O-])C=[N+](C)C1=O"]
["10214411","CCc1ccc(C(c2ccc(CC)cc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1"]
["109480530","N#C[C@@]1(C(=N)O)[C@H]2[C@](O)(C[N+](=O)[O-])N=C(O)[C@]21C#N"]
["164730151","C=C=C(C(=O)OCC)C(C[N+](=O)[O-])c1ccccc1"]
["81961461","C[N+]1=CC([N+](=O)[O-])C(=O)N(CC(N)C(=O)O)C1=O"]
["43228494","CCCn1cc([N+](=O)[O-])cc1C(=O)N1CCC(O)CC1"]
["100854353","[N-]=[N+]=NP1(=S)S[PH]([S-])([S-])c2cccc3c2C1=C[CH+][CH+]3"]
["182932697","[N-]=[N+]=NS(=O)(=O)c1cccc(OCC2OCc3ccccc3O2)n1"]
["183882983","[N-]=[N+]=NCc1cccc(OCC[C@H]2CCNC2)c1"]
["183397040","[N-]=[N+]=Nc1cccc2[nH]c(C(O)=Nc3ccc(F)cc3)cc12"]
["166805648","COC(=O)C1CN(S(=O)(=O)c2cccc(CN=[N+]=[N-])c2)C1"]
["181534833","[N-]=[N+]=NCCc1cc2ccccc2n1N"]
["182711187","CS(=O)(=O)CCN1C(=O)C(N=[N+]=[N-])Cc2c(Cl)cccc21"]
["181099128","[N-]=[N+]=Nc1ccccc1C1=CCCC=C1"]
["183783790","[N-]=[N+]=Nc1sccc1C1SSc2ccccc21"]
["181245928","[N-]=[N+]=NCc1cccc(CN2CC[C@@H](F)C2)c1"]
["183108339","[N-]=[N+]=Nc1cc(N)cc2ncccc12"]
["183095150","CCCC1=C(C)c2c(C)cccc2C1N=[N+]=[N-]"]
["175737168","C1=Cc2cnc3cc2C2(C=C3)CC=NC=C12"]
["164106242","CC(C)(CCC(C)(C)c1cnco1)C1=CN=CC1"]
["190418239","c1cc2cnc(C3CC3)[nH]c-2n1"]
["168936165","O=C(O)C1(c2cc(C3CC3)cnc2N2CCCC2)CC1"]
["86236050","CC1(CNc2ncc(C(F)(F)F)cc2Cl)CCCS1"]
["75996765","Cc1cnc(N2OCO2)c(Cl)c1"]
["122644576","CCOc1ncc(C(O)=NCC2(CO)CCC2)cc1Cl"]
["112642440","Cc1cc(N)cnc1NCC1(C)CCC1"]
["105684508","Cc1cc(N)cnc1N[C@@]1(C)CCS(=O)(=O)C1"]
["MCULE-2705971573","O=S1(=O)CCC(N=C(O)c2ncc(C(F)(F)F)cc2Cl)CC1"]
["114264761","CC1(N=C(O)c2cnc(Cl)cn2)CCCC1"]
["49556347","Cc1cc(N)cnc1NC1(C)CCS(=O)(=O)C1"]
["179348107","C1CCC2CCC[C-]2C1.[O-][C-]1[I]C1C1N[I]1.[U]"]
["92534935","CC(C)C1(C)CNCC(C2CCCC2)O1"]
["192152963","OC1CCCCCCCCC1.[O-]O"]
["161539497","C1CCCCC(N2CNOC2)CCCC1"]
["167325552","[Li+].c1ccc(C2C[C-](C3CCCCC3)CC2c2ccccc2)cc1"]
["173053041","[B+]C1CCCC[C-](O)C1.[Pb]"]
["180337140","C[I]C(C([O-])OC1CCCCC1(C)[O-])C1N[I]1"]
["147028267","COCC1(C(O)=NCC2CCCCC2O)CCNCC1.Cl"]
["105234787","Cc1nc(N)c(N[C@H]2CCN3CCCC[C@H]23)[nH]1"]
["54247287","CC1CC[C+](C2CC[C-](CF)CC2)CC1"]
["179741805","CCOC1CCC2[C-](CCC3C2CC[C@]2(C[I+]C(C)[O-])CCCC32)C1"]
["144833445","C=C(CCN)CC1CCCCS1"]
["173242769","FC1=C(F)C(F)(OB(OC2(F)c3c(F)c(F)c(F)c(F)c3-c3c(F)c(F)c(F)c(F)c32)OC2(F)c3c(F)c(F)c(F)c(F)c3-c3c(F)c(F)c(F)c(F)c32)c2c1c(F)c(F)c(C1(F)C(F)=C(F)c3c(F)c(F)c(F)c(F)c31)c2[Si](C(F)(F)F)(C(F)(F)F)C1(C(F)(F)F)C=C(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F"]
["99637530","CCOC(CC)Nc1cc(C)ccc1/C(=C\\C1(/C=C(\\c2ccc(OC)cc2)c2ccc(C)cc2NC(CC)OCC)OC(=O)c2c(F)c(F)c(F)c(F)c21)c1ccc(OC)cc1"]
["56340351","CCC(Nc1ccc(/C(=C/C2(/C=C(/c3ccc(NC(CC)OC(C)C)cc3)c3ccc(OC)cc3)OC(=O)c3c(F)c(F)c(F)c(F)c32)c2ccc(OC)cc2)cc1)OC(C)C"]
["172302101","CC[Si](CC)C(C)CCCCCCCPc1c(F)c(F)c(F)c2c1C(F)(F)c1c(F)c(F)c(F)c(F)c1-2"]
["198269770","CCn1c(CO)nn(-c2nc(OCC(F)(F)F)c3c(Oc4c(F)cccc4Cl)nncc3c2F)c1=O"]
["161919549","NC1=C(C(F)(F)F)c2c(F)c(F)c(F)c(F)c2C1(F)F"]
["119079094","CCOc1cc(CN2CCC[C@@H]2CO)nc2nc(C(F)(F)F)nn12"]
["126242727","CCCN(C)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1"]
["MCULE-4631662785","CCOC(=O)Cc1cc(Cl)n2nc(C(F)(F)F)c(-c3ccc(Br)c(F)c3)c2n1"]
["MCULE-4146820063","COC(=O)Cc1cc(O)n2nc(C(F)(F)F)c(-c3cccc(F)c3Cl)c2n1"]
["171322747","FC1=C(F)C(F)(OB(OC2(F)C(F)=C(F)c3c2ccc(-c2cc(F)cc(F)c2F)c3F)OC2(F)C(F)=C(F)c3c2ccc(-c2cc(F)cc(F)c2F)c3F)c2ccccc21"]
["79594873","CC[Si](C)(CC)CCCCCCCC[Si](CCCCCCCC[Si](C(C)C)(C(C)C)C(C)C)([OH+]c1c(F)c(F)c(F)c2c(F)c([B-](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)C3(F)c4c(F)c(F)c(F)c(F)c4-c4c(F)c(F)c(F)c(F)c43)c(F)c(F)c12)C(C)C.CN(C)c1ccccc1"]
["180073807","C1=C2CCc3cccc(c3N2)I23=Cc4cccc5c4-n4c(cc([n+]42)CCC1=N3)CC5"]
["96120396","CN(Cc1cccc2c1NCC2)CC(C)(C)O"]
["198811847","O=C1N=C(O)CCC1N1Cc2cccc(CNC3CC4(CNC4)C3)c2C1=O"]
["102930515","COC=Cc1c2c([o+]c3c1CCc1ccccc1-3)-c1ccccc1CC2"]
["120549024","CC1(COc2cccc3c2NCC3)CCCNC1"]
["MCULE-9691533752","O=C(Nc1ccc2c[nH]nc2c1)c1n[nH]c2c1CCc1ccccc1-2"]
["52896213","CCCN(C(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)C1CCc2ccccc2C1"]
["93356548","c1cncc(Cn2cncc2-c2cccc3c2NCC3)c1"]
["CSSS01784567036","Cn1c(=O)oc2ccc(COc3cccc4c3NCC4)cc21"]
["105409531","COc1ccc2nc(C)c(C(=O)N3CCCc4cccc(OC)c43)cc2c1"]
["MCULE-6947079042","O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC(N=C(O)c2cccc(F)c2F)CC1"]
["166039230","COc1ccc(CCC(=O)N2CCCc3cccc(F)c32)cc1OC"]
["195349738","[O-][NH+]1OCC(COC[N+](COC2CO[NH+]([O-])O2)(COC2CO[NH+]([O-])O2)OCC2CONO2)O1"]
["111955841","Cc1cc(OCC2CNCCO2)c([N+](=O)[O-])cc1F"]
["101375972","CCOCC1CC2C(CO1)NC(=N)SC2C"]
["170603335","c1cc(COC[C@@H]2CNCCO2)ccc1COC[C@@H]1CNCCO1"]
["98564878","C(COCC1COCCO1)OCCOCC1COCCO1"]
["161839839","CCCO[Si](OC)(OC)OCCC1CO1"]
["175581924","C(OCC1CO1)C1CO1.C1COCO1"]
["175312205","C.OCC(O)COCC1CO1"]
["177457114","CCOCC.OCC(O)COCC1CO1"]
["97628024","CC(COCC1CO1)OCC(C)OCC(C)OCC(C)OCC(C)OCC1CO1"]
["190295024","C.C.C(OCC1CO1)SSOCC1CO1"]
["95110098","OC(COCC1CNCCO1)=NCC(F)(F)F"]
["199247431","[B+]C([B+])(OSC(F)(F)F)C(F)(F)C([B+])([B+])n1c(=O)[c-]2cc[cH-][cH-][c-]2c1=O"]
["176161119","O=C1c2c(SC(F)(F)F)cccc2C(OCC2CC(F)(F)C2)C1(F)F"]
["140054657","O=C1OCCC1CCSc1nnnn1CC(F)(F)F"]
["126369253","CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc(Br)ccc1F"]
["161542802","O=C1CCCCc2cc(OSC(F)(F)F)ccc21"]
["185086322","O=C1N=C=[O+]C1Cn1c(=O)[c-]2cccc[c-]2c1=O"]
["176880932","CC1=C(OCC(F)(F)C(F)F)NC(C)C(C(C)N2Cc3c(ccnc3Cl)C3OC32)=C1"]
["MCULE-1244806418","COc1cnc(C(=O)N2CCCN(C(=O)C3CC(F)(F)C3)CC2)cn1"]
["193921845","CC(C)(C)C1C=Cc2ncoc2N(C(C)(C)C)C1=O"]
["50705559","O=C1CC2=C(C(C(F)(F)F)C=C3C2=CC=CN3C(F)(F)F)N(C(F)(F)F)C1"]
["138827310","CCC1(CC)CC(=O)N(CC(=O)N(Cc2ccco2)CC(F)(F)F)C1=O"]
["11838993","Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(Cl)cc2c1OCOC2"]
["179234743","FC(F)F.[NH-]C=c1ccc(=C2[N-]N(C3=CC=[C+]C=[C-]3)C=[NH+]2)cc1.[U+2]"]
["171298604","COc1ccc(Cl)c(O)c1[C@H](C(F)F)N1CCNCC1.Cl.Cl"]
["127533832","CN(C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)C1CCCC1"]
["74722114","C1=CC=C(/N=N/C2=CC=[C+]C=[C-]2)CC=1"]
["45976062","CC(C)N1CCC(Nc2ccc(F)cc2)C1"]
["165516451","Oc1nncc(N2CCN(c3cc(F)ccc3F)CC2)c1Cl"]
["22141492","C[C@@H](c1ccc(F)cc1)N1CCN([C@@H](C)c2[nH+]c3ccccc3s2)CC1"]
["143125809","Cn1c(CSCc2ccc(S(=O)(=O)C(F)F)cc2)nnc1C1CC1"]
["141183745","CCN(CC(F)F)C(=O)c1cc2ccccc2cc1N=C(O)C1CC1"]
["171975224","CN1C2C=C(Cc3c(F)ccc(F)c3F)CC1CCC2"]
["114349435","CC1(C)CCN(c2cccc(Cl)c2CO)CCS1"]
["166514244","Oc1ccc(Cl)c(CN2CCC2C(F)F)c1"]
["164643304","C1=c2ccc(o2)=Cc2ccc([oH+]2)C=c2ccc([oH+]2)=Cc2ccc1o2"]
["26647168","CNC1=CC(=O)c2cc(C)c(C)cc2OC1"]
["190961486","C1=c2ccccc2=CN2CC=c3cc4[o+]coc4cc3=C12.[Br-]"]
["33941816","CCC1=C(C)[C]2C=c3cc/c(o3)=C/C3=C=C(C=C4N=C(C=C1[N-]2)C(CC)=C4C)c1ccccc13.[Pd+]"]
["170411453","C1=CC2CC3[C-]=CC(=Cc4ccc(o4)C[C-]4C=CC(=CC=1O2)O4)O3.[Y].[Y]"]
["170522201","[CH+]=C1C=c2oc3ccccc3c2=C(Cl)[N-]1"]
["97766602","CCC1=C(C)C2=N/C1=C/c1cc(c3cccccc1-3)/C=C1/N=C(/C=c3/cc/c(o3)=C/2)C(C)=C1CC"]
["195947786","O=C1C2=Cc3ccc(o3)C=CC3C=CC(=CC1c1cc4ccc(ccc5ccc(cc2c1=O)o5)o4)O3"]
["195853174","CC1=Cc2ccc(o2)C1"]
["168145988","CCC1=C(C)C2=NC1=CC1=CC(=C(O)C(C)(O)C1=O)C=C1N=C(C=c3ccc(o3)=C2)C(C)=C1CC"]
["83400588","C1=C2C=CC(=[O+]2)C=C2C=CC(=Cc3ccc(o3)C=c3ccc=1[se]3)[O+]2"]
["169665841","CC(C)(C)C1=Cc2ccc(o2)C=C1"]
["172845572","FC(F)(Cl)SC(SC(F)(F)C(F)(F)Cl)(SC(F)(F)C(F)(F)C(F)(F)Cl)C(Cl)(SC(F)(C(F)(F)F)C(F)(F)F)C(SCl)(SC(F)(F)C(F)(F)C(F)(F)C(F)(Cl)SC(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F"]
["163941218","FC(F)(F)SC(F)(C(F)(F)F)C(F)(F)Cl"]
["161727869","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)SCl"]
["169676959","Fc1ccc(SC(F)(F)C(F)(F)Cl)cc1"]
["169676960","FC(F)(Cl)C(F)(F)Sc1ccc(Br)cc1"]
["59791817","FC(F)(F)C(C(F)(F)F)C(Cl)(SCl)C(F)(F)C(F)(F)F"]
["182207815","[N-]=N[N+]#SC(F)(F)C(F)(SC(Cl)(SC(F)(F)Cl)C(F)(F)F)C(F)(F)F"]
["33382683","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)Sc1ccc(Cl)c(Cl)c1"]
["161918547","FC(F)(F)C(F)(F)C(Cl)(SCl)C(Cl)(C(F)(F)F)C(F)(F)F"]
["91043664","FC(F)(Cl)C(F)(F)C(F)(F)SCl"]
["161655198","FC(F)(Cl)C(F)(F)SC(F)(F)C(F)(F)Cl"]
["183658448","[N-]=N[N+]#SC(F)(F)C(F)(SC(F)(SC(F)(SC(SC(F)(F)F)(SC(F)(F)Cl)C(F)(F)F)C(F)(F)F)C(F)(F)Cl)C(F)(F)F"]
["83576199","OC1=NC2SC(=C3Sc4nc(O)[nH+]c(O)c4S3)SC2C(O)=[NH+]1"]
["17628633","CC(C)(C)Nc1nc(O)nc(O)[nH+]1"]
["53520824","CC1=NC2SC(C)=C(C)C2S1"]
["191184313","CC1(C)C[C@H]2CCCCC[C@H]2N=C1O"]
["7205886","[O-]c1nc(O)nc2c1S/C(=C1\\Sc3nc(O)nc([O-])c3S1)S2"]
["97129378","Oc1nc(O)c2c(n1)SC(=C1SC3=C(SC=CS3)S1)S2"]
["178043599","C/C=C\\c1snc(O)c1/C=C\\C"]
["178695707","CC1SC(=S)[NH+]=C1O"]
["111303780","Oc1nccc2ccn(C3CCCCC3)c12"]
["73894435","Oc1nc(O)c2c(n1)S/C(=C1\\Sc3nc(O)nc(O)c3S1)S2"]
["56661885","C=CC1CC(C(C)C)C(C)c2cc3nc4c(nc3cc21)S/C(=C1/Sc2nc3cc5c(cc3nc2S1)C1C=CC5CC1C(C)C)S4"]
["151856085","CN[C@H]1Nc2nc(O)cc(O)c2S1"]
["149986901","C=COOn1c(=C2SC(=S)N(CC(=O)O)C2=O)sc(=C2SCC(=O)N2CC(=O)O)c1=O"]
["46241346","CCCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCC(C(=O)OCC)CC2)SC1=S"]
["68875832","O=C1/C(=C/c2ccccc2)SC(=S)N1CC(O)=Nc1cc(Cl)ccc1O"]
["45925302","N=C(O)OCCC1=C(C(=O)O)N2C(=O)CC2S1=O"]
["6563300","O=C([O-])CN1C(=O)/C(=C\\c2c[nH]c3ccccc23)SC1=S"]
["110773406","O=C(O)CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@@H]34)[C@H]2C1=O"]
["51791424","CC[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)O"]
["179656255","O=C(O)Cn1cc(CC2=CCCCc3c(F)c(F)cc(F)c3S2)c2ccccc21"]
["44759008","Cc1ccccc1N=C(O)Cc1nc(COC(=O)CN2C(=O)CSc3ccccc32)cs1"]
["63854400","C[C@@H]1Oc2ccccc2C=C1/C=C1\\SC(=S)N(CCCC(=O)O)C1=O"]
["33929886","O=C(O)CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1"]
["44141812","C=CCN1C(=O)/C(=C/c2ccc(OCCC)cc2O)SC1=S"]
["179169064","CC12C[C@@]34CC15C16C7CC89CC1(C)C2(C)C81CC3C[C@]42CC34CC8C[C@@]3%10CC9(C7)C6%10C81C542"]
["184363787","CC12CC3C[C@]14CCC1[B][C@H]1[C@]324"]
["179338153","C[C@H]1CC23CC45[C@@H]6CC7CC(CC2C6)C12CCC7(CC[C@@H]4C)C325"]
["108977818","Cc1cc(N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)nc2cc(Cl)ccc12"]
["179306782","CC12CC1CCCC[NH+]2S"]
["159466019","CC1CCCC(C)N1C(=S)N1CC2(C)CC1CC(C)(C)C2"]
["119923301","CC12CC3CC(C)(C1)CC(Cc1nc(Cl)ns1)(C3)C2"]
["194795835","CC12CC3CC4CC(C=S)(C1)CC32C4"]
["117241039","CC1(C)CC2CC(C)(CN2c2ncnc3ccc(F)cc23)C1"]
["178636334","CC(C)OC(=O)C12CC3(C)C[C@@H]4CC(C)(C1)C4(C3)C2"]
["81603292","CC1(C)CC2CC(C)(CN2CCCCC2CCC3CC2C3(C)C)C1"]
["180068840","CC1C2C3C4C5CC6C7C8CC9C%10%11CC%12CC%13%14C2%15C%121C(C)(C%10)C%11%13C1(C)C92C8(C)C57[C@@]25C64C3%15C1%145"]
["65349768","C[CH-]NC1[CH-]C(C)(C)C(C)(C)N(C)C(C)(C)C1(C)C.[V+2]"]
["83264265","CC1(C)C(C(=O)c2cn(CCCCCF)c3ccccc23)C1(C)CN=[N+]=[N-]"]
["67002738","CCC(O)CNC1CC(C)(C)N(C)C(C)(C)C1"]
["172160638","CN1C(C)(C)CC(COCCOCCOCC2CC(C)(C)N(C)C2(C)C)C1(C)C"]
["47825783","COCCn1cc(CNCC(C)C)c2ccccc21"]
["52126738","CO[C@H]1C[C@](N)(c2ccccc2)CN(C)C1=O"]
["162617141","COC(O)=NC1CC1(C)C(C)C"]
["54304659","CC1(C)CCCN(CC2CCCCC2CN)C1"]
["194142817","CC#CC.CC1=C(C)C(C)(C)N(C)C1(C)C.CN1C(C)(C)C1(C)C"]
["95725844","Cn1c(CBr)nnc1C1C(C)(C)C1(C)C"]
["169940824","CNCC(Br)CNC1CC(C)(C)N(C)C(C)(C)C1"]
["29473153","CN1C(C)(C)CC(O)C(C(O)C(=O)O)(C(O)C(=O)O)C1(C)C"]
["186641165","COOC1=C(c2c(S)c(S)c3c(S)c(S)c(S)c4c3c2NC(C)(C)N4)C(=O)/C1=c1\\c(S)c(S)c2c(S)c(S)c(OS)c3c2c1NC(C)(C)N=3"]
["58095135","COC1=c2ccoc2=C(OC)C(=O)C1=C1C=C(C)NO1"]
["83958658","Cc1cc2cccc3c2c(c1C)NC(C)(C)N3"]
["179108543","CC1(C)Nc2cccc3ccc(C/C=c4/ccc5cccc6c5c4=NC(C)(C)[NH2+]6)c(c23)N1"]
["27093187","COC1=C(c2c(C)[nH]c3c(C)c(C)c(C)c(C)c23)C(=O)C(OC)=C(c2c(C)[nH]c3c(C)c(C)c(C)c(C)c23)C1=O"]
["32014293","COc1cc2c3c(c(Cl)c4ccccc4c3c1OC)NC(=O)C2=O"]
["75303760","COc1cc2c(cc1N1CCOCC1)C(C)(C)c1[nH]c3cc(C=N)ccc3c1C2=O"]
["MCULE-2550114826","O=C1C(O)=C(c2ccc(-n3cccc3)cc2)C(=O)N1CCc1cnc[nH]1"]
["64519711","CC1CCC2(CC1)N=c1/c(=C3/C(=O)C(c4ccc5cccc6c5c4NC4(CCC(C)CC4)N6)=C3O)ccc3cccc(c13)N2"]
["83130663","CC1(C)C(=CC=C2C=Nc3cc(Cl)ccc32)Nc2ccccc21"]
["190725598","Cc1c(C)c(C)c2c(c1C)-c1c(C)c(C)c(C)c(C)c1C21N=c2c(C)c(C)c(C)c3c(C)c(C)c(=C4C(=O)C(c5c(C)c(C)c6c(C)c(C)c(C)c7c6c5NC5(N7)c6c(C)c(C)c(C)c(C)c6-c6c(C)c(C)c(C)c(C)c65)=C4O)c(c23)N1"]
["74161122","CC1(C)Nc2ccc3c(c2N1)C(=O)c1c(O)ccc(O)c1C3=O"]
["194637649","FC(F)(F)C1=C[C+](C2C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[B-]2(C2=CC(C(F)(F)F)CC(C(F)(F)F)=C2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[CH+]C(C(F)(F)F)=C1"]
["42525031","FC(F)(F)c1cc(C(c2ccc(C(c3ccc(C(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1"]
["169912365","C=CN(/C=C(C(=N)O)/C(/C=C\\C(Cl)=C(/C)CC)=C/C)/N=C(/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)CC"]
["101072390","COC(=O)[C@@]12C=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@](C(=O)OC)(C=C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2"]
["MCULE-1950976614","O=C1C(Nc2cc(F)ccc2F)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1C1CCCCC1"]
["15210969","[NH2+]=C(O)C1CCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1"]
["99749685","C[C@@H](OCC1(c2ccccc2)CCC(N)(CCO)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["MCULE-3506672926","N#Cc1cc(C2CC2CCO)cc(C(F)(F)F)c1"]
["33303613","C[C@H](O[C@H]1CCC2CNCC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["75571945","Cc1cc(C2=CC(=O)N3C[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(c4ccc(F)cc4)[C@@H]3C2)ccn1"]
["25951454","Cc1ccc([C@@H]2NCCO[C@@H]2O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C"]
["98968439","CON=C1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1"]
["161356914","CCC(C)N([SiH2]CC[SiH](N(C(C)CC)C(C)CC)[Si](CC[Si](N(C(C)C)C1CCCCC1)(N(C(C)CC)C1CCCCC1)[SiH](CC[SiH2]N(C(C)C)C1CCCC1)N(C(C)C)C1CCCC1)(N(C(C)C)C1CCCCC1)N(C(C)CC)C1CCCCC1)C(C)CC"]
["48698279","CCN(c1ccc(C(C)NC)cc1Br)C1CCCC1"]
["150684969","CC(C(C)(C)S(=O)(=O)N(C1CCCCC1)C1CCCCC1)S(=O)(=O)O"]
["127101966","COc1ccc(N=C(O)N(CCO)C2CCCCC2)cc1OC(C)C"]
["MCULE-4149223400","CCC(C)N(C(=O)CCC1CCCCC1)c1ccc(C(=O)OCCN(CC)CC)cc1"]
["77426169","CCC(c1nnnn1CCc1ccccc1)N(CC1CC2CCC(C)C(C)C2N=C1O)C1CCCCC1"]
["144072939","CCC(SC)C(=O)N(C(C)CS(C)(=O)=O)C1CC1"]
["26547404","CCN(Cc1cc(C(=O)OCCCCl)cc(Br)c1N)C1CCCCC1"]
["135419401","CCNC(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1"]
["61258313","CCC(C)N(CCC(=O)N1CCCCC1)C(O)=Nc1ccccc1C(F)(F)F"]
["MCULE-5639272062","Cc1ccc(C(C2CCC2)n2nc(C(C)C)c(CN)c2I)cc1C"]
["191692430","C=C1CCC(N2Cc3cc(O[C@@H]4CCC[C@H]4N(CC)C(C)C)ccc3C2=O)C(O)=N1"]
["167292508","C=CC[C@@]12C3=C4C5=C6CCC7=C8CCC9=C%10CCC%11C%12=C%10[C@@]%10(CC=C)C9=C8c8c7c6c4c4c8[C@@]%10(CC=C)C(=C41)[C@@]%12(CC=C)C1=C2C(=C3CC5)CCC1%11"]
["167292422","C=CC[C@]12C3=C4c5c6c7c8c9c%10c%11c(c%12c%13c%14c(c%15c(c%14c%14c(c(c5C%141)c7%10)c%13%11)=C2C(=C3CCC4C6CC8)CC%15)CC%12)CC9"]
["66743821","C=CC[C@@]1([C@@H](O)C=C)C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O"]
["160253120","C=CCC1(C(=O)N2CCn3c(O)nnc3C2)CCC1"]
["151753435","C=CCN1C(=O)CC[C@H]2[C@H]1CCN2S(=O)(=O)C1CC1"]
["167371590","C=CC[C@@]12CCC[C@@](C)(C[C@H](OC(C)=O)C1)O2"]
["32761801","C=CCC12C3=C4C5(CC=C)c6c1c1c7c2c2c8c9c%10c%11c%12c%13c%14c%15c%16c%17c(c5c5c6c6c1c1c%18c7c8c7c8c9c%12c9c%12c%13c%16c%13c%16c%17c5c5c6c1c1c(c%187)c(c89)c(c%12%13)c1c5%16)C%15(CC=C)C4(CC=C)C(=C3C2%10CC=C)C%11%14CC=C"]
["70199162","C=CCC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(O)cc3)CC21C"]
["66718536","C=CCOC(=O)Nc1ccc([C@@H]2O[C@H](CN3[C@@H](C(O)=NC(C)(C)C)CC[C@H]4CCCC[C@H]43)[C@H](C)[C@H](c3ccc(CO)cc3)O2)cc1"]
["43770486","C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21Cc1cccc(N(C)C)c1"]
["50955635","C=CCC1(c2ccccc2Cl)C(O)=NC(=O)N=C1O"]
["82305846","C=CC1CC2(C)C(C3CCC4=CC(=O)CCC4=C13)C1CC1C2(O)CCCO"]
["18788513","CN(C)[C@H](C[NH+]=C(O)Nc1ccc(Oc2cc[nH+]cc2)cc1)c1ccsc1"]
["MCULE-5247384077","CCOc1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)sc2c1"]
["9111452","COCC[NH+]=C(O)C[C@H]1C(O)=NCCN1Cc1ccccc1C"]
["MCULE-6533152123","COc1ccc(N=C(O)C(c2ccccc2)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1-c1ccsc1"]
["25972527","CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@H](C(=O)O)[C@@H](Nc2c(O)c(=O)c2=O)[C@H]1C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1"]
["130686148","COc1ccc(NC(O)=NCc2nc(C3CC3)cs2)cc1OC(C)C"]
["146289748","CN=C(O)COc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1"]
["117782072","COc1ccccc1NC(=N)NCC(c1ccco1)N(C)C.I"]
["148909173","COc1cccc(C(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)nc(C)n3)cc2)c1OC"]
["122621670","CC(N)c1ccc(NC(=O)C=Cc2ccc(OC(F)F)cc2OC(F)F)cc1.Cl"]
["MCULE-1067323062","O=C(COc1ccccc1Cl)N(c1ccc(Oc2ccccc2)cc1)C1CCCC1"]
["30395972","CC(=O)OC(CN)(CCNc1ccc(Oc2ccccc2)cc1)COCc1ccccc1"]
["174308168","CC(C)N(C1=NN2[I+][C@@]3(CN4N=C(N(C(C)C)C(C)C)SC4=[N+]=NN3c3nnc(N(C(C)C)C(C)C)s3)N(c3nnc(N(C(C)C)C(C)C)s3)[N]N=C2S1)C(C)C"]
["27800566","CC1=NN(c2ccc(S(=O)(=O)N(C(C)O)C(C)O)cc2)C(=O)C1"]
["30898673","Cc1nnc(N2N=C(c3cnccc3Cl)SC2(CCC(N)c2cnccc2Cl)c2ccccc2)s1"]
["199486163","CC(C)c1nnc(N2CC3CN(C(=O)C4CC4)C[C@]3(C(=O)O)C2)s1"]
["132899159","CCN(CC)c1ncc(CN(CC)C(C)CS(=O)(=O)CC)s1"]
["135234869","Cc1cc(S(=O)(=O)N2CCCC(c3nnc(S)n3C(C)C)C2)ccc1F"]
["16118410","C[C@H](CS(C)(=O)=O)N(C)C(=O)C1CCN(c2nc3ccccc3s2)CC1"]
["174321483","C=C/C=C(/F)CC/C=C\\Cc1nc(N(C)S(C)=O)n(C(C)C)c1C"]
["173841915","C=Cc1c(SC)cc2n1C(=O)CSC1=C(C(C)C)/C(=C\\C=C2)c2cc3sc(C)cc3n2C1"]
["48909010","CCC(C)C1N=C(O)CN(CC2CCC(C)CC2)C1=O"]
["150785419","Cc1ccc(C(=O)N2Cc3sc(C)nc3C3(CCN(C(=O)N(C)C)CC3)C2)s1"]
["67866817","CCC1=NN2C(=N)CC(=O)N=C2S1"]
["69492027","[1CH3][1O][1C]1=[1C]([1CH2][1CH]=[1C]([1CH3])[1CH3])[1C](=[1O])[1C]2([1C](=[1O])[1CH]([1CH3])[1CH3])[1C](=[1O])[1C]1([1CH2][1CH]=[1C]([1CH3])[1CH3])[1CH2][1CH]([1CH2][1CH]=[1C]([1CH3])[1CH3])[1C]2([1CH3])[1CH2][1CH2][1CH]=[1C]([1CH3])[1CH3]"]
["76239989","[1CH3][1C]([1CH3])=[1CH][1CH2][1O][1C@H]([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1C@H]([1CH3])[1C]1=[1C]([1OH])[1C]2([1CH2][1CH2][1CH2][1CH2][1CH2]2)[1O][1C]1=[1O]"]
["76239703","[1CH3][1O][1C](=[1O])[1C@@H]1[1CH2]S[1C@H]([1CH2][1N]=[1C]([1OH])[1O][1C]([1CH3])([1CH3])[1CH3])[1N]1[1C]([1CH3])=[1O]"]
["76239652","[1CH2]=[1CH][1CH2][1C]1([Si]([1CH3])([1CH3])[1CH3])[1O][1CH]([1c]2[1cH][1c]([1O][1CH3])[1c]([1O][1CH3])[1c]([1O][1CH3])[1cH]2)[1O][1C]1=[1O]"]
["76239881","[1CH3][1O][1C]1=[1C](Br)[1C@H]([1OH])[1C@@]2([1CH]=[1C]1Br)[1CH2][1C]([1C](=[1O])[1NH][1CH2][1CH2][1CH]([1OH])[1CH2][1NH][1C](=[1O])[1C]1=[1N][1O][1C@]3([1CH]=[1C](Br)[1C]([1O][1CH3])=[1C](Br)[1C@@H]3[1OH])[1CH2]1)=[1N][1O]2"]
["76239904","[1CH3][1C]([1CH3])=[1CH][1CH2][1O][1c]1[1cH][1cH][1c]([1C]2=[1C]([1CH2][1CH]([1CH3])[1CH3])[1C](=[1O])[1O][1C]2=[1O])[1cH][1cH]1"]
["76239969","[1CH3]/[1CH]=[1CH]/[1CH]=[1CH]/[1CH]=[1CH]/[1CH]=[1CH]/[1CH]=[1CH]/[1C](=[1O])[1O][1C@@H]1[1CH2][1CH2][1C@]2([1CH2][1O]2)[1CH]([1C@@]2([1CH3])[1O][1C@@H]2[1CH2][1CH]=[1C]([1CH3])[1CH3])[1C@@H]1[1O][1CH3]"]
["76239744","[1CH3][1O][1c]1[1cH][1cH][1c](/[1CH]=[1C]2\\[1O][1c]3[1cH][1c]([1O][1C]([1CH3])=[1O])[1cH][1cH][1c]3[1C]2=[1O])[1cH][1n]1"]
["69491714","[1CH3][1C]([1CH3])=[1CH][1CH2][1CH2][1C@]1([1CH3])[1O][1c]2[1cH][1c]([1CH]=[1O])[1c]([1CH]=[1O])[1c]3[1c]2[1C@H]2[1C@@H]([1O]3)[1C@@]([1CH3])([1OH])[1CH2][1CH2][1C@H]21"]
["76239769","[1CH3][1C]([1CH3])=[1CH][1CH2][1C]1([1C](=[1O])[1O][1CH2][1c]2[1cH][1cH][1cH][1cH][1cH]2)[1CH2][1C](=[1O])[1O]1"]
["69492058","[1CH3][1C]([1CH3])=[1CH][1CH2][1CH2][1C]1([1CH3])[1CH]([1CH2][1CH]=[1C]([1CH3])[1CH3])[1CH2][1C]2([1CH2][1CH]=[1C]([1CH3])[1CH3])[1C](=[1O])[1C]1([1C](=[1O])[1CH]([1CH3])[1CH3])[1C](=[1O])[1C]([1CH2][1CH]=[1C]([1CH3])[1CH3])=[1C]2[1OH]"]
["175860657","CC1=C=CC(C)=C([B]C2=C(C)C=C=C(C)C(/C(C)=C/C=C\\N)=C2C)C(C)=C1C1=C=CN=CC=C1"]
["174711847","CNS(=O)(=O)c1cccc(C(O)=Nc2ccc(-n3nc(/C(C)=C/C=C\\N)cc3C(F)(F)F)cn2)c1"]
["45913926","CC(NN=C(O)OC(C)(C)C)=C1C=CC=N1"]
["167217210","C/C(=C\\CO)C1=C/C(=C/C=C/CO)OC1=O"]
["176829497","C/C(=C\\C=C/N)C1=C(F)N(c2cccnc2)C(c2ccc3c(n2)CCC(C)(C)C3=O)N1"]
["150489407","Cc1c(C)c(C)c(CS/C([NH3+])=C2\\C=CC=N2)c(C)c1C"]
["194553519","CC1=CC2(/C(N)=C/C=C\\N)CC2C(C)=C1"]
["174260507","CC(=O)OC1=CSN=CC=C1"]
["173690528","C/C(=C\\N)C1=C(c2cnc3ccccn23)C(=O)CCC1=O"]
["177029541","CC.[B]/C(C)=C/C=C(C)/N=C\\C=C/N"]
["166543821","C/N=C\\C=C(/C)c1cc(P)ccc1C"]
["25673819","CC1=C=CC(C)=C2[C]1C(C)=C(C)C2C"]
["145703293","CC(C)[Si+]=C1c2ccccc2-c2c1c(=[Si+]C(C)C)c1c(c2=[Si-]C(C)C)C(=[Si-]C(C)C)c2ccccc2-1"]
["MCULE-1874727175","CCOc1ccc(-c2ccccc2OCC(=O)N=c2cc(C)o[nH]2)c(C)c1"]
["MCULE-9111789637","CC(=O)c1cccc(-c2ccccc2OC(C)C(O)=Nc2cc(C#N)ccc2C)c1"]
["53430490","CCc1nnc(CSc2nnc(-c3ccccc3OC)n2C)o1"]
["58893531","CNCc1nnc(-c2ccccc2OC)s1"]
["93260263","COc1nc2nc(Cl)c(-c3ccccc3Br)c(Cl)n2n1"]
["180164521","C=C(/C=C\\CC(Nc1ccc(-c2ccccc2C(F)(F)F)c(CCC=O)c1)OC)S(=CC)NC(C)(C)C"]
["11029283","COc1cc([C@H](C)n2c(O)nc3ccccc3c2=O)ccc1OCCO"]
["MCULE-1712342884","COc1cccc2c1C(=O)N(C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C)C2=O"]
["MCULE-3443411612","COc1ccc(C2C(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3C(=O)N2C)cc1OC"]
["120821441","Cc1[nH]c2ccccc2c1C1(CC(C)CN)COC1"]
["2929894","COCc1ccccc1NC(O)=NCC(O)=Nc1ccc(F)c(F)c1F"]
["179053227","[NH-]C1CCCN1CCOCCN1CCCC1=NC1CC[CH-]C(=O)N1CC[Cl+]CCN1CCCCC1=O"]
["184290330","C[n+]1ccn(C2(CC(C)(C)C3(C)CC3(CC(C)(C)C(C)(C)C(C3CC3(C)C)N3CCCCCC3=O)N3CCCC3=O)CC2(C)C)c1"]
["171519910","CC.COC(=C1CC1)C(CC1CC1)N=C(C)O.Cc1cc(F)c(F)c(CN2CCCC2=O)c1"]
["123970001","CCc1ccc(NC(O)=NCCCN2CCCC2=O)cc1F"]
["132505675","NS(=O)(=O)c1ccc(OCCN2CCCC2C2CCC2)cc1"]
["188712208","O=C1CCCCN1CCN=C(O)CCCC(O)=NC1CCCC1"]
["140297694","CC(C)(C)C=CC(=O)OCCN1CCCC1=O"]
["MCULE-7581536382","Cc1nn(CC(=O)N2CCCCC2CCN2CCCC2=O)c(C)c1-c1ccccc1C(F)(F)F"]
["131068784","COc1ccc(C(CCO)N=C(O)CN2CCCC2=O)cc1"]
["MCULE-6010210239","CCCCCCOc1cn(CCN2C(=O)CSC2=O)c(CNc2cc(OC)cc(OC)c2)cc1=O"]
["154854081","CC(C)(C)c1ccc(=O)n(CC2CCCN2c2cc3c(nn2)CCC3)n1"]
["134878491","O=C1CCCCN1Cc1cccc(N=C(O)C2(O)CCCCC2)c1"]
["198377235","C=C(/C=C([N-]C)\\C(C)=C/C)c1c(C)cc(C)c(/C(C)=C(C)/C=C2/C=CC=C[CH+]C2)c1C"]
["165809070","Cc1cc(C)c(C)c(C2NNC(C)C2C=O)c1C"]
["170264472","C=Cc1cc(C)c(C)c2c1-c1ccc(O)c(C)c1CC2"]
["100471388","C/C=C(\\C)C(=O)Oc1cc(C(C)C)ccc1C"]
["132423449","C=C(C)COC(=O)CCC(=O)c1cc(C)ccc1C"]
["166853199","C=C1NC(C)=CC(C)=C1CNC(=P)C/C=C(\\C=C(\\C)C(=C)/C(C)=C\\C)C(/C=C(\\C)C(=C)N1CCNCC1)=C/C"]
["187052861","C=C(CCC)/C(C#N)=C/C1=C(Cc2ccc(CC)cc2)C=C2C=CC=CC2C1=O"]
["64808826","CC(=CC1=[N+](C)c2c(C)c(C)c(C)c(C)c2C1)C=C1Cc2sc(C)cc2N1C"]
["176768991","C=C.C=C/C(=C\\C)c1ccc(C)c(C2=CC=CC=CC2)c1"]
["173243393","Cc1cc(C)c(C(=O)c2ccccc2[P+](=O)C(=O)c2c(Cl)cccc2Cl)c(C)c1C"]
["168904541","C/C=C(C(\\COc1ccc(C(C)=NOC(C)(C)C)cc1C)=C(/CC)N(C)N)/C1CC1"]
["80540893","CC(N=C(O)CCCC1=NC(=O)C2C=CC=CC2=N1)c1ccc2c(c1)CCCC2"]
["173480825","[B+]=C1C(C)=CN(PC=C2C(C3=C(CPN4C=C(C)C(=[B+])[C-]4C)C(I)=C(C)CC3CPN3C=C(C)C(=[B+])C3C)=C(CPN3CC(C)C(=[B+])[C-]3C)C(C)=C(C)[C-]2N)[C-]1C"]
["135635201","CCC1CN(C(O)=NCC2CC(=O)N(C3CC3)C2)CCC1c1ccccc1"]
["195881477","Cc1nc(O)c2c(n1)CC1=CC(=N2)C(OS(C)(C)C(C)(C)C)[C@H](C[Si](C)(C)C(C)(C)C)OC1"]
["63952540","CC1CCN([C@H]2CN(c3ncc(OCC[C@@H](C)C4CCN(c5nc(C(C)C)no5)CC4)cn3)C[C@H]2N)C(=O)C1"]
["173876667","CCCSc1nc(NC2CC2c2ccc(C)cc2)c2nnn(C3CC(CO)C4OC(C)(C)OC43)c2n1"]
["173972041","CCC1=C(C(c2ccc(N)cc2)(c2ccc(N)cc2)C2C#CC(C)/C=C\\C=C2)C=CC=CC1"]
["174065711","[B+]=C1C(C)=C(C)C(C)=C2C(N)=C3C(=C(C)C(=[B+])C(C)C3(C)C)[CH-][C-]12"]
["173485485","[B+]=C1C(C)=CC(C)=C(OP(C=C2C(C)=C(C)[C-](N)C(CP(OC3=C(C)C=C(C)C(=[B+])[C-]3C)OC3=C(C)C=C(C)C(=[B+])[C-]3C)=C2c2c(CP(OC3=C(C)C=C(C)C(=[B+])[C-]3C)OC3=C(C)C=C(C)C(=[B+])C3C)cc(C)c(I)c2CP(OC2=C(C)C=C(C)C(=[B+])[C-]2C)OC2=C(C)C=C(C)C(=[B+])[C-]2C)OC2=C(C)C=C(C)C(=[B+])[C-]2C)[C-]1C"]
["179012085","[B+]C1=C(C)/C(C)=C(\\c2ccccc2)C/C(N)=C(/C)C(C)=C=C2C(=N)[C-](C(C)=C2C)/C(c2ccc([O-])cc2)=C(C)/C(N)=C(/[B+])C(C)\\C=C\\1C"]
["179280684","CCCC1CN(Cc2ccc(I)cc2)C(=O)C(C2=Nc3scc(C[N+](C)(C)S(C)(=O)=O)c3S(=O)(=O)N2)=C1CC"]
["177026359","C=C=C1C(=C=CC)OC2C=C=C(N=C/C=C(\\N)C(C)(C)[C-]3C=CN(C4=C=CC5OC(C)=C(/C=C\\CC)C5=C4)[N-]3)C=C12.[Pt+2]"]
["28544658","Cc1ccc(-c2oncc2C(=O)N2CC(CO)[C@H](c3ccccc3)C2)cc1"]
["173969353","[B+]=c1c(C2=C=C[C-]3[CH-]CC[CH-]C3=[C-]2)c2c(=[B+])c(=[B+])c(=[B+])c(=[B+])c2c(-c2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c([C-]3[CH-][CH-][CH-][C-]4[CH-][CH-][CH-][CH-][C-]43)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c23)c1=[B+]"]
["174040293","[B+]=C1C(=[B+])C(=[B+])[C-]2C(=C([C-]3C(=[B+])C(=[B+])c4oc5c(c4C3=[B+])c(=[B+])c(=[B+])c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c35)c3c(c(=[B+])c(=[B+])c(=[B+])c3=[B+])[C-]2[C-]2[CH-][C-]3[CH-][CH-][CH-][CH-][C-]3[C-]3[CH-][CH-][CH-][CH-][C-]32)C1=[B+]"]
["174041654","[B+]=c1c(=[B+])c(=[B+])c2c(-c3ccc4c(c3)C3=[C-]C[CH-][C-]=C3C4(C)C)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(-c3ccc4c(c3)C3=C=C[C-]5[CH-]CC[CH-][C-]5[C-]3O4)c2c1=[B+]"]
["173969476","[B+]=C1C(=[B+])[C-](c2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c([C-]3[CH-][C-]4[CH-][CH-][CH-][CH-][C-]4[C-]4[CH-][CH-][CH-][CH-][C-]34)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c23)C(=[B+])c2c1oc1c(=[B+])c(=[B+])c(=[B+])c(=[B+])c21"]
["173882442","[B+]=C1C(=[B+])C(=[B+])[C-]2C(=[B+])C(=[B+])C(=[B+])C(c3c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4c(-[c-]4[cH-][cH-]c5c([cH-]4)[C-]4[CH-][CH-][C-]6[CH-][CH-][CH-][CH-][C-]6[C-]4O5)c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c34)=C2C1=[B+]"]
["174119519","[B]=c1c(=[B+])c(=[B+])c(=[B+])c2c(-n3[c-](C([B+])([B+])C([B+])([B+])[B+])[n-][c-]4[cH-][cH-][cH-][cH-][c-]43)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(C3=C=C[C-]4[CH-]CC[CH-]C4=[C-]3)c12"]
["174034823","[B+]=c1c(=[B+])c(=[B+])c2c(-c3ccc4c(c3)C3=C=C[C-]5[CH-]CC[CH-][C-]5[C-]3O4)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(-c3ccc(-c4ccc5c(c4)C4=[C-]C[CH-][C-]=C4C5(C)C)cc3)c2c1=[B+]"]
["174245412","[B+]=C1C(=[B+])C(c2ccc(N(C3=C[CH-][C-](c4c[c-](-c5ccc6c(c5)O[C-]5[CH-][CH-][CH-][CH-][C-]65)[cH-][cH-][cH-]4)C=C3)C3[C-]=CC(=c4c(=[B+])c(=[B+])c5c(=[B+])c(=[B+])c(=[B+])c(=[B+])c5c4=[B+])C=[C-]3)cc2)C(=[B+])c2c1c(=[B+])c(=[B+])c(=[B+])c2=[B+]"]
["173969357","[B+]=C1C(=[B+])C(=[B+])[C-]2C(=[B+])C(=[B+])C(=[B+])C(c3c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4c(C4=C=C=C([C-]5[CH-][CH-][CH-][C-]6[CH-][CH-][CH-][CH-][C-]65)[C-]5[CH-]CC[CH-][C-]45)c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c34)=C2C1=[B+]"]
["174118679","[B+]=C1C(=[B+])C(=[B+])[C-](C2=[C-]CCC(c3c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4c(C4=[C-]C(n5c6c[cH-][cH-]cc-6[n-][c-]5-c5c[cH-][cH-][cH-][cH-]5)=[C-]CC4)c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c34)=[C-]2)C(=[B+])C1=[B+]"]
["175320905","[B+]=c1cc2c(=c3c(=[B+])c(=[B+])c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4c3=[B+])c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(-c3c[cH-][c-]([C-]4[CH-][CH-][CH-][C-]5[CH-][CH-][CH-][CH-][C-]54)[cH-][cH-]3)c2c(=[B+])c1=[B+]"]
["174073414","[B+]=c1c(=[B+])c(=[B+])c(=c2[n-]c(=c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3=[B+])[n-][c-](-c3ccc4c(c3)oc3cc(-c5ccc(C6=C=C[C-]([C-]7[CH-][CH-]CC[CH-]7)C=[C-]6)cc5)ccc34)[n-]2)c(=[B+])c1=[B+]"]
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["149679993","CC(C)CCCCCCCCCCCCCCCCCCN(C)C"]
["148780985","CCCCCCCC(=O)N(CCCN(C)C)C(CCCCCCCCCOC(=O)C(CCCCCC)CCCCCC)CCCCCCCCCOC(=O)C(CCCCCC)CCCCCC"]
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["151434027","CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H](O)CCCC[C@H](O)CCCCC[C@H]2C[C@H](CC(C)=O)C(=O)O2)O1"]
["32047393","CCCCCC(CC1CCC(C(C)C2OC(=O)C(C)C3CCC(CC(CCC)OC(=O)C(C)C4CCC(O4)C2C)O3)O1)N(C)C"]
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["33096937","C=C[C@@H]1CC(=O)O[C@@H]1[C@@H](O)CCCCCCCCCCCC"]
["75973445","[CH2+]CCCCCCCCC(C#N)CCCCC([O-])=C1OC2CCC1CC2C(C)(C)C"]
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["181670623","CCNC(CNC)(ON(N(CC)CC)C(C)(ON(N=[N+]=[N-])C(C)(NCC)C(NOC)(NOCC)N(OC)OC)C(C)(NOC)NN(CC)CC)N(C)C"]
["183048457","CCNC(CSC(SC)(N(CC)CC)S(=O)N=[N+]=[N-])(NC)N(C)C"]
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["182944100","CCCCCCNC(N)(N(N(CC)CC)C(N=[N+]=[N-])(N(C)N(NC)C(C)N)C(NCC)(NCCC)NC(C)C)C(C)(C)C(NCCCC)(NCCCCC)NC(C)(C)C"]
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["184023533","CCNC(C)(C(N(C)C)N(N=[N+]=[N-])C(C)C)N(CC)CC"]
["181722808","C=C(C)NC(C)(N(N=[N+]=[N-])NCCCC)C(CNC)(NCC)NCCC"]
["183488932","CCN1CC2CN(Cc3cnc(N=[N+]=[N-])cc3-c3cc(F)c4nc5n(c4c3)[C@H](C(F)F)CC5)CC2C1"]
["183575063","CNC(C(=O)N(N=[N+]=[N-])N=C(C)O)(N(C)C)N(N)OC"]
["182937353","CCNC(NC)(SCC)N(N=[N+]=[N-])C(OCC)SC"]
["182219769","CCC(CN=[N+]=[N-])N(C)C(=O)OCCNC"]
["171997889","CC1=Cc2cnc3c(c2=C(C)[C@@H]1C)=C(C)[C@@H](C)c1c-3nc2c3c1C(C)=C(C)[C@@H](C)c3c(C)c1c(C)c3c(C)c(C)c(C)c4c5c(cc(c34)c12)-c1ncc2c(c1[C@H](C)C=5C)[C@@H](C)C(C)=C(C)[C@H]2C.[Co]"]
["177515065","Cc1cn(-c2noc3c(F)c(F)c(C4OCCO4)cc23)c(=O)s1"]
["179268649","COc1cnc(C(O)=Nc2ccc(F)c([C@]34CO[C@@H](C)C[C@@]3(C)CSC(=N)N4)c2)cn1"]
["184828007","[C-]#[N+]c1ccc(-c2c(-c3ccc4c(cnn4C)c3)ncc3c2ccn3C2CCCNCC2)cc1"]
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["78390125","CC1=C(C)C(C)C([Si](c2c(-c3ccccc3)c(C)c(-c3ccccc3)c(C)c2-c2ccccc2)(c2c(-c3ccccc3)c(C)c(-c3ccccc3)c(C)c2-c2ccccc2)c2c(-c3ccccc3)c(C)c(-c3ccccc3)c(C)c2-c2ccccc2)=C1C"]
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["75526065","N#CN=C1C(=C=NN)/C1=N\\C#N"]
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["173358917","CC(O)=NC#N.[H-].[Na+]"]
["185284492","N#CN(N=[N+]=[N-])S(=O)(=O)C(=O)O"]
["169604168","N#CN=c1nc(C#N)n2c(C(F)(F)F)c3c(=NC#N)nc(C#N)n3c(C(F)(F)F)c12"]
["99709875","N#CN=C1c2ccccc2C(=NC#N)c2nc(-c3ccc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)s3)nc21"]
["65376009","N#CC(N)=C(N)O"]
["169039220","N#CC1=COC(N)=C(C#N)C1c1c(Cl)ccc(Cl)c1Cl"]
["120740622","Cc1nc(NCC2CCCC2)cc(=NC#N)[nH]1"]
["74602782","CC(=O)Cn1ccs/c1=N/C#N"]
["96773912","N#C[C@]12c3ccccc3[C@H](c3ccccc31)[C@@]1(C#N)c3ccccc3[C@@H]2c2ccccc21"]
["182476308","N#CC(CN=[N+]=[N-])=NO"]
["153857706","Sc1c2ncnc-2ncn1CCSC1=NC=NC2=NC=N[C@H]21"]
["113251605","CCNc1ncnc(NC(CCO)C(C)(C)C)c1Br"]
["141384235","CC1C(C)S(=O)(=O)CCN1Cc1ncn(-c2ccccc2)n1"]
["8954212","CCOC(=O)c1nccn1CCSc1nncn1C"]
["22131613","CCCN1NC[C@@H](N=C(O)Cn2cc([C@H]3N=CN=C4N=CN=C43)cn2)N1"]
["68103736","CC(=O)OC[C@H]1O[C@@H](n2cnc3ncnc-3c2NC(=O)c2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O"]
["167034290","CCn1cnc2c(NCc3csc(Br)c3)ncnc21"]
["139993926","CCc1ncnc(N(C)CC2CCCOC2)c1F"]
["157592238","CC[C@H]1CN(c2ncnc3c2ncn3CC)C[C@H](C)O1"]
["76154676","[N-]=[N+]=NCCn1cnc2cc(C(O)=NC3C4CC5CC3CC(O)(C5)C4)ccc21"]
["MCULE-9442109758","CCCCn1cnc2c(-c3cccc4[nH]ccc34)ncnc21"]
["52601429","CCCCn1cnc(-c2ccc(SC(F)(F)F)cc2)c1N"]
["91594810","Nc1ccc2[nH]cc3c2c1C1C=CC3C1"]
["89062572","CN1C(=O)N(CC(=O)O)CC1c1c[nH]c2ccccc12"]
["CSSS01776450931","O=C(O)C1CN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)c2ccccc21"]
["90085324","Cc1ccc2c(c1N)C(C)NCC2"]
["113643889","Nc1ccc(N2Cc3ccccc3C2)cc1N"]
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["107825551","CCN1C[C@@H](C)NC[C@@H]1c1c[nH]c2ccc(OC)cc12"]
["160462412","CC1CN(S(=O)(=O)c2c[nH]c3cccc(F)c23)CCN1CC(C)(C)O"]
["94167772","COc1ccc(N)c(SCCC2CCNCC2)c1"]
["145031140","CN1CC(CN)CC1c1ccc(C(C)(F)F)cc1Cl"]
["29861293","C/C=C/CN=C(O)Nc1ccc2[nH]cc(C3CCN4CCCCC4C3)c2c1"]
["150559232","O=C(OCC(COC(=O)c1ccccc1)(C1CCCC1)C1CCCC1)c1ccccc1"]
["195320623","[O-][NH+]1O[NH+]([O-])S12[NH+]([O-])O[NH+]2[O-]"]
["174879577","N.[O-][NH+]1C=CN=N1"]
["195981501","CC1C(C(C)(C)C)[NH+]1[O-]"]
["195695043","CC1C=C[NH+]([O-])O1"]
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["79647199","[O-][NH+]1C=C[N]O1"]
["57159594","[O-][NH+]1O[N-]c2ccccc21"]
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["195948431","[O-][NH+]1CCCCCC[NH+]([O-])O1"]
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["195343257","C=C(C)C1=C(C(=C)C)[NH+]([O-])O[NH+]1[O-]"]
["195550183","[O-][NH+]1O[NH+]([O-])C2CCCCCC1CC2"]
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["91581037","[CH2+]CCN(C)CC[CH2-].[I-].[Sb+]"]
["19064097","C=CCN(C(=O)CN(C)Cc1scnc1C)c1ccccc1"]
["111784004","CCCN=C(O)c1sc(N(CC)CC2CC2)c(SC)c1N"]
["69492035","[CH2-]CN(CC)[Si](C)c1ccccc1.[Li+]"]
["200255863","C=CCCS(C)(C)(C)(C)c1ccc(P(Cl)N(CC)CC)cc1"]
["173296630","C=C(N)/C=C(/CCC)C(C)S([O-])(O)C[CH2+].[Y]"]
["170443124","CCOC(=O)/C(C#N)=C/c1ccccc1N(CC)CC"]
["99689037","O/C=C/Cc1nccs1"]
["44085131","CCCN=CC1C(=O)CC(C)(C)CC1=O"]
["172002288","C1=CC=C=C2[N-]S[N-]C=12.[Y].[Y]"]
["200555354","Cc1ccc(=N)[nH]c1C#CCC=O"]
["168563284","CCSC1=C(SCC)SC(=C2SC3=C=C=C(C(=C=C=[Si](C(C)C)C(C)C)C#C[Si+](C(C)C)C(C)C)C#CC4=C(C#CC(C(=C=C=[Si](C(C)C)C(C)C)[C-]=C=[Si](C(C)C)C(C)C)=C=C=C3S2)SC(=C2SC(SCC)=C(SCC)S2)S4)S1"]
["97013980","CCSC1=C(SCC)SC(=C2Cc3ccc(cc3)CC(=C3SC(SCC)=C(SCC)S3)Cc3cc(Br)c(cc3Br)C2)S1"]
["191841501","CCSC(=NC)c1cc(C(F)(F)F)ncn1.CCSc1ccc(Cl)nc1-c1nnc(-c2cc(C(F)(F)F)ncn2)n1C.CCSc1ccc(Cl)nc1C(O)=NN"]
["147847193","CCSC1=C(SCC)SC(=C2Cc3ccc(cc3)CC(=C3SC(SCC)=C(SCC)S3)Cc3cc(Cl)c(cc3Cl)C2)S1"]
["149970249","CCCCCSC1=C(SCCCCC)SC(=C2SC3=CCC(CC)C=C3S2)S1"]
["98649401","CCSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)c(C)[n+]2cn1C(=N)O"]
["97139375","CCSC1=C(SCC)SC(=C2SC=C(C#Cc3ccccc3C#CC3=CSC(=C4SC(SCC)=C(SCC)S4)S3)S2)S1"]
["97389045","CCCCSC1=C(SCCCC)SC(=C2SC=C(C#Cc3cc(C#CC4=CSC(=C5SC(SCCCC)=C(SCCCC)S5)S4)cc(C#CC4=CSC(=C5SC(SCCCC)=C(SCCCC)S5)S4)c3)S2)S1"]
["147867522","CCSC1=C(SCC)SC(=C2Cc3cc4cc(c3)CC(=C3SC(SCC)=C(SCC)S3)Cc3cc(cc(c3)C2)CC(=C(C#N)C#N)C4)S1"]
["97064400","CCCC1=C(CCC)SC(=C2SC3=C=C=C=C=C4SC(=C5SC(CCC)=C(CCC)S5)SC4=C=C=C=C=C4SC(=C5SC(CCC)=C(CCC)S5)SC4=C=C=C=C=C3S2)S1"]
["82855694","CCSC1=C(OC(=O)O)N2C(=O)C(C(C)O)C2S1"]
["97438217","CCSC1=C(SCC)SC(=C2Cc3ccc(cc3)CC(=C3SC(SCC)=C(SCC)S3)Cc3ccc(cc3Br)C2)S1"]
["195415528","[NH-]C(I)C([NH3+])C([O-])N1C[I+]1"]
["180304638","CC=[C-]C([O-])N1CCC[I+]C1"]
["173967021","CC(C)C([O-])N(C)C.[Na+]"]
["179505739","[B]C(I)C(=O)[CH-]c1ccc2c(c1)N(C(C)[NH-])C[I+]2"]
["195656142","CC(N(C)C)[NH+]([O-])[NH+](C)[O-]"]
["185161686","O=C1COCN1C([O-])C([O-])N1COCC1=O"]
["164342933","CN(C)C(I)N(C)C"]
["169000484","CN(C)C(N)N(C)C(N(C)C)N(C)C"]
["79694824","CC([NH-])[O-].[Ca+2]"]
["185799792","CN(C)C(=O)N1CC2CN(C(=O)[O-])CC2C1"]
["101744756","CN(C)C(Cl)I"]
["178519807","CN1[N-]N=C2CC[I+]N(C([O-])C(C)(C)C)CC=C21.[H+]"]
["73845439","[C-]1=C2[CH+]SC=C2OOC1"]
["177242109","CC1=CSCC(C2=NC(C)CCS2)=CC1"]
["185453973","CC1=CCNCO1"]
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["101216182","C(=Nn1cnnc1)Nn1cnnc1"]
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["188287913","OC(Cn1cc(/C=N/n2cnnc2)c2ccccc21)=Nc1ccccc1"]
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["74211070","CCCCc1c(C)sc(N=C(S)Nn2cnnc2)c1C(=O)OCC"]
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["MCULE-7472933586","CCCc1ccc(-c2cc(CC(O)=Nn3cnnc3)ccc2OC)cc1"]
["168454738","SCC[Si+]CC[Si](CC[Si+]CCS)(CC[Si-]CCS)c1ccc([Si](CC[Si+]CCS)(CC[Si-]CCS)CC[Si-]CCS)s1"]
["180723662","C=C(NC)c1ccc(CSC)nc1"]
["98877557","CC.CC.Cc1ccc(C=N)nc1NC=N"]
["44372668","NC1CCC(OCCNC(=O)c2ccc(Br)s2)CC1"]
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["112806053","CCc1cnc(CN=C(O)C2(C(=N)S)CCC2)s1"]
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["183727018","COC1(c2cccc(C(=N)O)c2)C2CCC1CN(Cc1sc3cc4ccccc4cc3c1C)C2"]
["102961449","[SiH2]=CC=CC=[GeH2]"]
["79321274","OCC=[SiH2]"]
["31999891","O=C/C=C\\C=C\\C=O"]
["191628674","CCCCC(C)(CCCC)C(Cl)C=[SiH2]"]
["99798528","CO/C(N)=C(\\Br)C=N"]
["69625026","[CH2]OC=CC=CC=O"]
["97330309","O=C/C=C/C=[Se]"]
["96766737","[GeH2]=CC#CC=[GeH2]"]
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["96822238","[SiH2]=CC#CC=[SiH2]"]
["161747926","[CH-]=C/C=C\\[S-].[Ce]"]
["98470293","CC=CC=[SiH2]"]
["161741673","PP1SS123(CCCC2)CCCC3"]
["161722632","PP1SS1(C1CCCCC1)(C1CCCCC1)(C1CCCCC1)C1CCCCC1"]
["74835944","S=P1=CCCC1"]
["76129864","C1CC2C3CCCP3P2C1"]
["171760615","FS1(F)(F)(F)CCCCC1(Cl)Cl"]
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["180974414","OP1SCCCS1"]
["90758231","C1CCC(P2CCCC2C2CCCP2C2CCCC2)C1"]
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["188715111","CNS1(C)(C)(C)CCC1"]
["51539843","[Cu].[NH-]C1CCCC2CCC[N-]C12.[NH-]c1cccc2c1[N-]CC=C2"]
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["66730380","O=S([O-])[O-].[Cd+2].[Zn+2]"]
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["99657992","CCS(=O)[O-].CCS(=O)[O-].[Sr+2]"]
["61807949","C=C(CC)N(C(=C)CC)S(=O)[O-]"]
["175158695","CC(C)CCOS(=O)[O-].[Li+]"]
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["192227844","CN(C)S(=O)[O-].[Cl-]"]
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["78375266","O=S([O-])[O-].[S+2]"]
["69617063","[B+]=P(=O)C(C)S(=O)[O-].[Rf].[Rf]"]
["172616784","CS([O-])=C=O"]
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["55274849","O=C(O)CCCCCNc1nccn2cnnc12"]
["174966181","[Al+].[O-]c1nncc(Br)c1Br"]
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["163294677","CC(=O)C1=CC(=C2C=NN=C2)NO1"]
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["99287792","COc1cc(OC)c(Cl)c(-c2cnc3c(c2)N(C2CCCCO2)NC3=C2C=NN=C2)c1Cl"]
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["174063170","[B]=C1C(=[B])C(=[B])[C-](S([C-]2C(=[B])C(=[B])C(=[B])[C-](C(C)C)C2=[B])([C-]2C(=[B+])C(=[B])C(=[B])C(=[B])C2=[B+])[C-]2C(=[B+])C(=[B])C(=[B])C2[B+])C(=[B+])C1=[B]"]
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["162298690","CC(N=C1N=CN=C(O)C1I)C1CCC1"]
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["78128003","CCNCC.O=C([O-])CCCCCCCCCCC(=O)[O-].[Zn+2]"]
["79877891","NCCNCC(C(=S)S)N(C(=S)S)C(=S)S"]
["176393192","[SiH3]P([SiH3])[SiH2]P([SiH3])[SiH2]P([SiH3])[SiH3]"]
["79912513","[SiH3]O[o+]1oo1"]
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["173222989","[B+]=P(=O)[SiH3]"]
["173604081","[2H]C(=[B])P([SiH3])P[3H]"]
["176393104","[SiH3]P([SiH3])CP([SiH3])CP([SiH3])[SiH3]"]
["176395582","[SiH3]P([SiH3])Cl"]
["175004231","B#P(C)[SiH3]"]
["150359619","B#P([SiH3])P"]
["176395838","[SiH3][SiH2]P(Cl)[SiH2][SiH3]"]
["178265901","C=I1=C[N-]C=I1"]
["184314138","C1=NI=S=C[N-]1"]
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["175699100","C1=I[N-]1"]
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["184998683","C=I1=CN(C)C=C1"]
["184342910","C=I1=CC(C)=IC=C1C"]
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["179339011","C=I1=S=Nc2ccccc21"]
["75696871","[C+]1=c2nc[n-]c2=COC1"]
["193908971","C#N.C=S.CC"]
["169785414","Oc1c(O)c(-c2c(O)c(F)c(O)c(F)c2F)c(F)c(F)c1F"]
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["59047886","N=C(CC(=O)c1c([O-])c(F)c(F)c(F)c1F)C(=O)[O-]"]
["178020636","C=C(c1c(F)c(O)c(F)c(F)c1F)C(C)C"]
["189086463","CCc1c(F)c(O)c(Cl)c(Cl)c1F"]
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["174518631","CCC(CC)(CCl)c1ccnnc1Cl"]
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["184159542","CC(C)(I)c1cc[n+](=IC(C)(C)c2cccnn2)[n-]n1"]
["190184511","C1=Nc2nnccc2C1"]
["190122672","C=Cc1nnccc1C(=C)OC.CC"]
["173636489","COc1nnccc1C(C)(F)F"]
["43732342","N=C(O)c1nnccc1N"]
["172807235","O=C1C=c2ccnnc2=N1"]
["90020798","Cc1ccc(CCOC(=O)c2ccnnc2C)cc1"]
["136710566","CCCCCC(C)(C)C(O)=NNc1cccnn1"]
["167508512","C=C1C=NC(=Cc2nccnn2)NN1"]
["172781161","I[B+]C[B-]#I"]
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["185008189","[3H]OCC(O)CO[3H]"]
["176040755","IB=I[B-]#I"]
["194574863","I[B+]S[125I].[Al-2]"]
["103252204","ONC[C@H](O)C(F)(F)F"]
["173332508","CP(C)(C)=IB=I[B-]#I"]
["79787465","CC(O)C(F)(F)CC(O)C(F)(F)F"]
["174035659","[B+]C(C)[B-]#I"]
["26119577","CC([O])C(C)C[O]"]
["79471161","[2H]C1=C([2H])C2[C]3C(=C1)C([2H])=C([2H])c1c([2H])c([2H])c([2H])c(c13)C([2H])=C2[2H]"]
["171900681","[2H]c1cc(CC[PH+](Cc2[c-]c([OH+]c3[c-]c(CP(c4cc([2H])c([2H])c([2H])c4)c4cc([2H])c([2H])c([2H])c4)ccc3)ccc2)c2cc([2H])c([2H])c([2H])c2)cc([2H])c1[2H].[Pt+2]"]
["182113014","[N-]=[N+]=NC1=CCN(N)C(N)C1"]
["196681610","[2H]C1=CC(N(c2cc([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c3c(=O)c4c([2H])c([2H])c([2H])c5c(=O)c6c([2H])c([2H])c([2H])c([2H])c6n(c3c2[2H])c54)C([2H])C([2H])=C1[2H]"]
["172160186","[2H]C=C([2H])/C([2H])=C(/[2H])c1cc(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(NC4C([2H])=C([2H])C(c5c([2H])c([2H])c([2H])c([2H])c5[2H])=C([2H])C4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]"]
["73943117","[2H]c1c([2H])c(N)c2c(c1[2H])C(=O)N([C@]1([2H])CCC(=C)N=C1O)C2=O"]
["70504587","CCC1C(C)C2=C(C=CC3=NC(=O)C=C(C(F)(F)F)C32)N1CC(F)(F)Cl"]
["162165715","O=C1CC23CCCC=C2C1CC3"]
["185987435","[2H]C1=c2c(sc3c([2H])c([2H])c([2H])c(C([2H])(C)C)c23)=CCC1"]
["110921467","[2H]c1c([2H])c2c(c(OC([2H])([2H])[2H])c1[2H])C(=CNO)C=N2"]
["1213535","COCCN(CC(O)=Nc1ccccc1C(O)=[NH+]C(C)C)C1CCCC1"]
["61377792","C1=C2C3CCCC2(CCC1)CC3"]
["200333977","C1=CC=Cc2nc3n(c2=1)-c1nccn1C1N=C[CH-][N+]=31.[2H]C([2H])([2H])C1=C=C[C-]2C3[C-]1C1=C=CC=C=C1c1ncc(n13)C(C)(C)C2(C)C.[Ir]"]
["172006976","Cc1nc2n3c1C(c1ccccc1)(c1ccccc1)C[C-]1C=CC=C(C4=C=CC=C=C42)C13.[Ir]"]
["172213262","CC1(C)c2cccnc2N(c2[c-]c([Si](C3=C=C4c5nccn5C5C=CC=C=C5[C-]4C=C3)(c3ccccc3)c3ccccc3)ccc2)c2c1ccc1sc3ccccc3c21.[Pd+2]"]
["28310935","Cc1ccc(-n2cccn2)c(C(=O)N2C[C@H]3C[C@H]3C[C@H]2CNc2cnc(C(F)(F)F)cn2)n1"]
["195601232","COC1CC(N=c2[nH]c(-c3nccn3C)nc3sc(-c4ccn(C(C)C)n4)c(C)c23)C1"]
["49222690","CCCCc1cnc2n1C1C(=CC(C)=C[C-]1C)C1=C=CC=C=C12.[Ir]"]
["172184984","CC1=C2C3=C=CC(OC4=C=C5C(=C=C4)C4=C(C)C=C[C-]6C4n4c(cnc45)C(C)(C)C6(C)C)=C=C3c3ncc4n3C2[C-](C=C1)C(C)(C)C4(C)C.[Pt+2]"]
["54116051","Cn1ccnc1-c1cn2c(n1)C1=C=CC=C=C1C1=Cc3ccccc3[CH-]C12.[Ir]"]
["191015271","CC1=C[C-]2C3=C=CC=C=C3c3ncc(-c4c(C(C)C)cccc4C(C)C)n3C2C=C1.Cc1ccc2c(c1)c1ccccc1c1ncc(-c3c(C(C)C)cccc3C(C)C)n21.[Ir]"]
["43721546","C=CC1CC1(N=C(O)C1CC(Oc2nc(-c3cccnc3)cc3cc(OC)ccc23)CN1C(=O)C(N=C(O)OC(C)(C)C)C(C)(C)C)C(O)=NS(=O)(=O)C1CC1"]
["179874287","BrC1=C[C-]2C3=C=CC=C=C3c3nccn3C2C=C1.[Ir]"]
["43903200","CC(C)c1cc(C(C)C)c(C2=C[C-]3C4=C=CC=C=C4c4nccn4C3C=C2)c(C(C)C)c1.[Li+]"]
["64161345","[B+]=I[B-]#[B-]S"]
["173971995","[B+]C1C[C-]([CH2-])CC1[B+]"]
["63261060","Cl.N=C(N)S.[Au+]"]
["52099651","N=C(N)S.[Au+]"]
["54122380","[B+]=I[N-]F"]
["43043707","CI=[B-]=IS"]
["50126206","[B+]=I[N-]P"]
["26317652","SC=NC(Cl)=C(Cl)Cl"]
["81588170","F[B-]S.[K+]"]
["55261439","SSI=[B-]I"]
["52652728","FI=[B-]S"]
["65868623","N=C(N)S.[Ag+].[Au+]"]
["192410484","Cc1sc2c(c1C)C(C)(C)C(C)(C)c1c-2[se]c(C)c1C"]
["162360006","Cc1cc(C2C(N)C2(C)C)c(C)s1"]
["185268732","Cc1c(Cl)cccc1NBr"]
["192325211","Cc1cc2c(C)c(C)sc2c(C)c1C"]
["26209292","CC1=C(C)C2(c3c(C)c(C)c(O)c(C)c3C(C)(C)C2(C)C)C(C)(C)C1(C)C"]
["3513202","Cc1sc(NC(=O)[C@@]2(C)Sc3ccccc3N=C2O)c(C(N)=O)c1C"]
["98175720","CCc1c(-c2sc(C)c(F)c2C)sc(C)c1F"]
["180169018","Cc1sc2c(S)c(C)sc2c1C"]
["144885822","Cc1ccc(Cl)c(C2(C(C)N)CC2)c1C"]
["24916740","CC(=O)c1c(C)sc(Cl)c1C"]
["198210906","CCC[N+]1=C(C)C(C)(C)c2c1ccc(C)c2C"]
["162717399","Cc1c(N)ccc2cc(F)sc12"]
["97348482","Bc1ppc(B)[pH]1"]
["145487367","Cc1c#cs[c]1"]
["186239469","BC1=CC=CC(Cl)C1"]
["91237822","CCC(C)(C)c1ppc(C(C)(C)CC)[se]1"]
["166612653","BCc1c(B)c(B)c(CB)c(B)c1B"]
["100192987","SC1=NC=CPN1"]
["79838633","Bc1cnc(B)cn1"]
["56584268","Cc1ccn2ccc(C)c2c1C"]
["96664897","Bc1cpc[pH]1"]
["79317234","BCc1ccc(B)cc1CB"]
["168519157","Nc1p[c-]([NH3+])[pH]1"]
["25408157","Cc1cp[c][pH]1"]
["97369191","O=[N+](O)c1ccc(N=[N+]2C3=C(CCCC3)N=[N+]2c2ccc([N+](=O)O)cc2)cc1"]
["189884305","NS(=O)(=O)NCCC1CCCC(CCc2nonc2C(=Nc2ccc(F)c(Br)c2)NO)C1"]
["96607085","N#C/C(=C\\[C@@]1(c2ccccc2)O[C@@H]1c1ccc([N+](=O)O)cc1)c1ccc(Cl)cc1"]
["97073107","O=[N+]1ON=C(c2ccc([N+](=O)O)cc2)C1=C1C=CC(=[N+]([O-])O)C=C1"]
["97448367","C[C@]12C=C[C@H]1CC[C@@H]2OC(=O)c1ccc([N+](=O)O)cc1"]
["110259305","O=C(CN(C1CCCC1)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21"]
["97389100","O=[N+](O)c1ccc2c(ccc[n+]2[O-])c1"]
["96989727","COC(=O)[C@](OC)(c1ccccc1)[C@@H](O)c1ccc([N+](=O)O)cc1"]
["96808984","O=[N+](O)c1ccc(C2=Nc3ccccc3N=C(C(Cl)(Cl)Cl)C2)cc1"]
["97319137","CCC(O)=C1C(=Nc2ccc([N+](=O)O)cc2)C(C)=C(C)C(C(=O)OC)=C1O"]
["97113473","C=C/C=C(\\COC(=O)c1ccc([N+](=O)O)cc1)C(=O)OC"]
["88316830","O=C(CC1CCC1)c1ccc(F)c(Br)c1"]
["99531634","C[Si](C)=[O+][Si-](C)(C)=[C-]C#CC#[Si][O+]=[Si]"]
["91039519","C[Si](C)=[O+][Si](C)(C)O[Si-](C)(C)=[Si](C)C"]
["161851006","CN([O+]=[Si](C)C)[Si-](C)C"]
["172609305","C[Si](C)=[O+][Si-](C)(C)=[Si](O)CC[Si](O)=[Si-](C)(C)[O+]=[Si](C)C"]
["42248804","C[Si-]=[O+][Si](C)=[Si-](C)(C)[O+]=[Si](C)C"]
["96724052","CC[N+](CC)(CC)C[C-]=[O+]C"]
["99665511","C=CC[Si](C)[O+]=[Si]=[Si-](C)(C)[O+]=[Si-]"]
["91130483","C[Si](C)=[O+][Si-](C)(C)=c1ccc(=[Si-](C)(C)[O+]=[Si](C)C)cc1"]
["99443241","CCO[Si](C)C[Si-]=[O+]CC"]
["84128036","C[Si](C)=[O+][Si-](C)(C)=[Si-](C)(C)[O+]=[Si](C)C"]
["171449892","C[Si](C)=[O+]C12CC3(O[Si-](C)C)CC(O[Si-](C)C)(C1)CC([O+]=[Si](C)C)(C3)C2"]
["99366197","N#CS/C=C/C[Si][O+]=[Si-]C/C=C/SC#N"]
["188018733","CC(CCC(CCC(C1=NOS(=O)N1)C(C)c1nc(O)ns1)C1=NSS(=O)N1)c1nc(=O)o[nH]1"]
["48111664","Cc1ccnc(-n2c(SC(C)C(=O)N=c3cc(C)o[nH]3)nc3ccccc3c2=O)c1"]
["158109253","C#CCNC(=O)c1nc(=O)o[nH]1"]
["180503364","C=CC[C@H](C)c1nc(=S)o[nH]1"]
["85176286","CC(C)N1CCOC(c2nc(O)n[nH]2)C1"]
["122916542","Cc1csc(C(C)CNC(=O)C(=O)N=c2cc(C)o[nH]2)n1"]
["81861469","C[C@@H]1CN(C)C(=O)CN1c1nc2nc(-c3nc(=O)o[nH]3)nc(N[C@H](C)C3CCC3)c2n1C[C@H]1CC[C@H](C)CC1"]
["175322448","C[C@H](C[C@@H](CCc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1nc(=O)o[nH]1)C(=O)O"]
["45420138","Cc1cc(=NC(=O)CSc2nc(=O)cc(O)n2CC(C)C)[nH]o1"]
["103504584","CCOC(=O)c1ccc(OC[C@@H](O)CSc2nc(C3CC3)nc3c2c(O)nc(=O)n3C2CC2)cc1"]
["179685446","CCCC(CCC(C)c1ncc(/C=C2\\SC(=O)N=C2O)s1)C(=O)OCC"]
["197596248","O=C(N1CCC(c2nc(=O)o[nH]2)CC1)C(F)(F)F"]
["74576373","OOC1=C(OO)N(OO)C(OO)N(OO)C1OO"]
["76788853","COC(=O)C=CC1C(C(=O)OC)=C(C(=O)OC)ON1C1(OO)CCCC1"]
["100633466","N=c1nn[nH]n1CC(O)=NC(c1ccccn1)C1CC(O)C1"]
["65328161","O=c1nc(O)ccn1C1C=CCCC1O"]
["109588764","COC(=O)[C@H](C)n1c(O)nc2c1NCCC2"]
["129130840","Cc1cccc(C)c1OCC(C)N=C(O)Nc1ccnn1C(C)C"]
["175257104","O=C(OB(O)O)C(=O)OS(=O)(=O)CS(=O)(=O)O"]
["178640214","CC(C)CCn1c2c(n(C)c1=O)CC(N1C[C@H](CO)OC1=O)C=C2"]
["175157303","OB(O)OC1(Br)N=NC(Br)=C1Br"]
["84159103","O=C1c2ccccc2C(=O)N1OC1C2CCC(C2)C1OO"]
["122950482","CC(COc1ccccc1C(F)(F)F)N=C(O)N1CCC[C@@H]1CO"]
["173206143","[B]C1C(OO)=C(C)C(=O)N1O"]
["59588602","NNC[C@H](O)c1ccc(OP(#P)[P+]#P)c(COP=[P+]=[P-])c1"]
["5736626","Cc1ccc(O[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1"]
["18180131","Cc1ccc(CNC[C@H](O)c2ccc(F)c(F)c2)cc1"]
["66738847","N#Cc1cccc(CNCC(O)c2cccc(F)c2)c1"]
["107556018","CN1CCN(C[C@@H](O)c2ccc(Cl)c(N)c2)CC1"]
["120907148","CNC(CC(C)=O)c1cc(C(C)C)ccc1C"]
["169855522","Cc1ccccc1-c1cc(Oc2cc(C#N)ccc2-c2ccc(C(O)CN)cn2)n(C)n1"]
["65564393","CCCC(NN)c1ccc(Br)cc1"]
["96932722","COC(=O)c1ccc([C@H](c2cc(C)c3cc(C(C)C)ccc(C)c2-3)[C@@H](c2ccc(C(=O)OC)cc2)c2cc(C)c3cc(C(C)C)ccc(C)c2-3)cc1"]
["93583847","Cn1ccc(CC(NN)c2cnc3ccsc3c2)n1"]
["68133002","COc1ccc(OC)c([C@H](O)CNC(O)=NCCOc2ccccc2)c1"]
["103447613","Cc1ccc([C@H](N)COC2CCC(C)CC2)cc1C"]
["74604025","ClC1=C[C+]=CC2C=c3c(Cl)c(Cl)c(Cl)[c-]c3=C=C12"]
["50888536","[CH-]=CC1=[C-]C2=CC=[C-]C2CC1.[V].[Y]"]
["84228342","Cc1cc2oc(C3CCNCC3)cc(=O)c2c(C)c1Cl"]
["75674363","Cl[C]1C=C=C(C2CC2)C=C1Cl"]
["119997474","Nc1cc(N)c(NCC2CCC(O)=N2)c(F)c1Cl"]
["178661843","C1=C2C3CCC1C2CC3"]
["179280027","Clc1c(C2CC2)oc2ccccc12"]
["89342897","Cc1ccc(C2CCNCC2)c(Cl)c1O"]
["57725978","CCCN(CC1CC1)c1ccc(Cl)cc1N"]
["163146242","NC(c1cc(Cl)c(O)c(Cl)c1)C1CCCC1"]
["MCULE-1115926168","ClCc1cc(C2CC2)sc1Cl"]
["191223921","CN(c1ccc([N+]#N)cc1Cl)C1CCCCC1.[Cl-]"]
["101943026","CC(C)(C)CC1(CN)COCOCC(CN)(CC(C)(C)C)CC2(CN)COCOCC(CN)(C1)CC(CN)(C(C)(C)C)COCOCC(CN)(C(C)(C)C)C2"]
["120628730","CC(C)(CN)C(O)=NCCC1CCOCC1"]
["113955393","Cn1nnc(CC(=O)CC2(CN)CCC2)n1"]
["111988830","Cc1ccc(C(O)C2(CN)CCCOC2)cc1C"]
["197412220","CC(F)(F)C1(CCN)CCC1"]
["62239915","NCC1(Cc2ccc(F)cc2Br)CCOC1"]
["197662163","CC1(C)CC1(CN)C(F)C(F)(F)F"]
["170074928","CC(C)(C)Cc1nnc(C23CC(C4CCNCC4)(C2)C3)o1"]
["96526730","[C]1C2(COCOC2)C12COCOC2"]
["93619692","CC(O)(C1CCCCC1)C1(CN)COc2ccccc2C1"]
["111988747","CC(O)(c1ccc2c(c1)CCCC2)C1(CN)CCCOC1"]
["49010513","CCN(Cc1cccs1)CC1(CN)CCOC1"]
["79780655","[OH+]=N[NH+]=N[SiH3]"]
["79348455","C[SiH2]O[SiH3].c1ccc(-c2ccccc2)cc1"]
["25383226","N=C(O)[N][SiH3]"]
["79093700","C[SiH]=N[SiH3]"]
["78289190","OP(O)(O)=N[SiH3]"]
["83228493","F[B-](F)(F)F.ON=[OH+]"]
["79184963","C[Si](C)=N[SiH3]"]
["103016528","[SiH3]N=C/C=C/N[SiH3]"]
["103007878","CC[P+](CC)=N[SiH3]"]
["61298830","N.ON=[OH+]"]
["91566982","[OH+]=NF"]
["60555452","CN(C)N=[NH+]N(C)C"]
["149797617","C1C2OP3OP1OPOP2O3"]
["163019701","C=CCN1CCOC(C)C1C(=O)O"]
["176779273","C1CC2(COPOC2)C2OP3OCC2(C1)O3.CCC"]
["157250396","ClC(Cl)(Cl)[C@@H]1O[C@@H]2OC34COP(OC3)O[C@H]4[C@@H]2O1"]
["183839239","O=S(=O)(O)CC1OP2OCC1CO2"]
["44688819","CC1CCOP(N=C=O)O1"]
["184606362","O=C1COC(=O)C1Cc1cc(O)cc(=O)o1"]
["139094493","[BH3-][P+]12OP3O[P@]4O[P+]([BH3-])(OP5O[P@](O1)O[P@](O5)O2)O[P@@](O3)O4"]
["188926860","O=[PH]1OCC2(CCCC34COP(OC23)O4)CO1"]
["159935602","C1OP2OCC1CO2.CCC"]
["162277059","OC1COP2OCC1O2"]
["102872024","ClC(Cl)(Cl)[C@@H]1O[C@H]2OC34COP(OC3)O[C@@H]4[C@@H]2O1"]
["159300917","O=S1(=O)CC(F)=CCCO1.O=S1(=O)CC=C(F)CCO1"]
["122027177","Cc1ccc(N=C(O)C2=CCCCCC2)cc1N1CCOC1=O"]
["187609756","CNC1=CCCC(C)CC1"]
["84934274","O=C1CCCN1c1ccccc1NCc1cc(Cl)cs1"]
["172337239","O=S1(=O)CC=C(c2ccccc2F)CC1"]
["26151942","O=CC1=CCCO1"]
["199019271","O=S(=O)(/C=C/c1cccc(Br)c1)N1CCC=C(F)C1"]
["171016648","N#Cc1cc(F)c(C(F)(F)F)cc1C(=O)Cl"]
["111956103","Cc1cc2c(cc1F)NCC(C)CS2(=O)=O"]
["52155104","Fc1ccc(C(Br)c2ccc3c(c2)CCCO3)cc1"]
["3592062","O=C(Cl)c1cc(F)c(Cl)cc1Cl"]
["17853502","CN(C)CC[NH2+]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1"]
["179939582","C1=C2CN(C2)C2C[C@]12CC1=CCC12C1C3CC312"]
["162710813","CCC1(C)CC1NC1N=CC=NC1=O"]
["185805898","NCC1(N)C=CC(N)=CC1"]
["188618613","C=C1CC/C=C(\\O)[C@H](O)C[C@@H]2C1C[C@]2(C)COC(C)=O"]
["56264266","CCN1c2cc(Cl)c(/C=C3/SC(=Nc4ccc(Cl)c(Cl)c4)N=C3O)cc2C(C)CC1(C)C"]
["157571024","CCCc1occc1C(O)=N[C@]1(C(=O)O)C[C@@H](OCC)C1(C)C"]
["50826097","CC1(C)N=C(O)CN(CCc2ccco2)C1=O"]
["75626376","CC(C)C1C(=O)N(CC2CC3CC2CC32COC(c3ccccc3)OC2)C(=O)C1C(C)C"]
["153623532","COCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12"]
["160929040","CC(C)CN1CC(O)=NC12CCC(C)C2"]
["156594184","CN[C@H]1CCN(C2CC=CC2)C[C@H]1C"]
["50292726","CC1CCN([C@@H]2CC[C@H](C)C(C)(C)C2)CC1"]
["179021303","[B+]=[O+]C1CO[C-]2C#SC[C-]2OC1.[U]"]
["108303518","OC(/C=C/c1cccs1)=Nc1cnn([C@@H]2CCOC2)c1"]
["99735025","[B+][C@@H]1COC(C(C)(C)[C-]2[N-][C@H]([B+])CO2)=N1"]
["190319077","CC12CO[C-](OC1)OC2.[Y]"]
["93550202","O=C(O)CSCC(O)=NCC1COCCO1"]
["24838417","CC1COC2(OCC(C)S2)C(C)S1"]
["101872435","OC(C=Cc1cccs1)=Nc1cnn(C2CCOC2)c1"]
["159100922","Cl[C@@H]1CSC[C@H]1C[C@H]1COCCO1"]
["70319121","OC(=Nc1cnn(C2CCOC2)c1)C1CCCC1"]
["179757099","CC[C-]1CS#C[C-]1OCCC1C[I+]1"]
["162275814","COCC1COC(O)C1CO"]
["53335391","C[C@]1(O)CCOC[C@@H]1N1CCCCC1"]
["185702929","SP=NSN=PS"]
["145441696","C=[P+]=PS"]
["65828044","N=C(O)N=PS"]
["176145588","S=PS.S=PS.[Cd+2]"]
["172905874","S.[Na+].[S-]SSS"]
["184811006","N=CN=PS"]
["174346404","CSN=PO"]
["99560719","CCCCN=PS.Cl.Cl"]
["181991038","C[GeH](C)SCS"]
["185702928","SP=[NH+]S[NH+]=PS"]
["173641028","[B+]=PS"]
["150396609","CN=C(C)SS"]
["59069354","COP(=N[P+](OC)(OC)Oc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12)(N=P(OC)(OC)Oc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12)OC"]
["159253011","COc1ccc(F)c(C)c1OC(F)F"]
["48919759","COC(OC)C(C)NCc1cc(Cl)ccc1Br"]
["54735251","COCOc1c(C)c(C)c(C)c(CO)c1C(OC)OC"]
["159245690","COc1ccc(OC(F)F)c(OC)c1C"]
["191877096","Cc1nc(C(C)(C)C)nc2c1Cc1c(c(C)c3c(C)c(C)c(C)c(C)c3c1C)C2"]
["120808363","COc1c(C)c(C)c(Br)c(C)c1C(N)C(=O)O"]
["48912712","COC(OC)C(C)N=C(O)Nc1cc(Cl)ccc1Cl"]
["22922404","CCCCN1C2(C)C(C)=C(C)C1(C)c1c2c(C)c2c(C)c(C)c(C)c(C)c2c1C"]
["192891801","C.Cc1c(C)c(C)c(C(=O)O)c(C)c1C.Cc1c(C)c(C)c2c(C(=O)O)c(C)c(C)c(C)c2c1C"]
["56389848","COC(O)=Nc1nc2c(C)c(C)c(C)c(C(O)C(C)Br)c2s1"]
["18555348","COc1c2occc2c(OC)c2c(=O)cc(C(F)F)oc12"]
["167449569","CC1=C(C)C(=[Si-](C)(C)c2pc([Si](C)(C)C)ccc2C)P=C1[Si](C)(C)c1pc([Si](C)(C)C)ccc1C.[Li+]"]
["MCULE-8910772315","Cn1nccc1-c1ccc2c(c1)CC(N=C(O)Cc1ccsc1)C2"]
["122046007","Cc1ccc(OCCCC(=O)N2CCC(c3ccnn3C)CC2)c(C)c1"]
["173714860","Cc1ccc([Si](C)(O)c2ccc(C)c(C)c2C)c(C)c1C"]
["167195302","Cc1ncc(CCCC2=CC([Si](C)(C)C)=C2[Si](C)(C)C)o1"]
["92382069","Cc1ccoc1-c1nc(O)c2c(n1)NCCC2"]
["176689044","Cc1cc(-c2occc2P(=O)(O)O)nc(=N)[nH]1"]
["154631386","Cc1cc(CN=C(O)[C@]2(Cc3ccccc3)CCN(C)C2=O)no1"]
["84659015","Cc1ccoc1-c1ocnc1CNC(C)(C)C"]
["158720972","Cc1cccc(S(=O)(=O)N2CCn3c(O)nnc3C2)c1F"]
["23591758","CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccsc1)CC2"]
["92195529","Cc1ccc2c(c1C)OCCN=C2O"]
["179263921","CO[C-]([NH-])[N+](C)(C)O[I+]NC(C)=N"]
["75065687","COC(O)=N[C@@]1(C(C)C)SC1C(=N)O"]
["57712565","COCc1ccccc1NC(C)=N"]
["25524797","COc1cc(C(=N)O)ccc1OCC(O)CO"]
["157665686","C1=CC=CNC=C1.COC(=N)O"]
["145368525","CN/C=C(\\C)C(=N)/C=C/ONC"]
["78398814","CCC(C=C(C)C(=N)O)[N+](C)(C)C"]
["177578705","CN[C@H]1C[C@@H](C(=N)O)C1"]
["78534256","CCC(C)(C)/C=C(\\C)C(=S)OC"]
["75103114","COC(=O)[N+]1([O-])CCC2CC(O)C1C2"]
["174919725","COc1cc(OC)cc(OC)c1.N=C(N)O"]
["180533944","COC(N=C(C)O)C(=N)O"]
["167600594","CCO/N=C/C1=C(F)C=C=C[C]1F"]
["842757","OC(CON=Cc1ccc(OC(F)F)cc1)=NCc1ccc(F)cc1"]
["185748177","CCOC(=O)c1ccn(C=S(=O)=O)n1"]
["198933928","OC(CCl)=NOc1ccccc1F"]
["93984087","Cc1cc(/C=N/OCC(=O)O)c2ccccc2n1"]
["78959013","CCCCCCO[C]1C(OCCCCCC)=C=C(OCCCCCC)C(OCCCCCC)=C1OCCCCCC"]
["90873253","Cc1ccccc1C=NOCc1ccccc1C#N"]
["MCULE-8553961199","CCCOc1c(F)ccc(-c2ccccc2C=NO)c1F"]
["119124521","CCOc1c(F)cccc1C(O)=NC(C)C(O)Cc1ccccc1"]
["98478391","CC=CCCC1CCC(C2CCC(C3CCC(C4CCC(c5ccc(OCCC)c(F)c5F)CC4)OC3)CC2)CC1"]
["181789561","COC1=CC(OC)(OC)CC=C1CSCC1=CCC(OC)(OC)C=C1OC"]
["55913730","CCN=C(S)N/N=C\\c1c(C)nn(-c2ccc(F)cc2)c1C"]
["171270866","CCC=C1C(CCC)=C(CCC)[C-]2C(=C1CCC)C1C(=C=C(CCC)C(CCC)=C1CCC)C2CCC.[Li+]"]
["166832020","C/C=C\\C(CC[C@H]1C=CC(CCC)=CC1C)=C(/C)N"]
["112218011","CCCC1=NNS/C1=C1\\N=NC(S(=O)(=O)Cl)=N1"]
["134916830","CCCC1SCCN1C(=O)c1ccc(=O)n(C)n1"]
["150129249","CCCC=C(C)CCC(=C=C=C1CC12CC2CCCC)CC"]
["79478935","CCCC1=C(CCC)C(C)[C+]2CCC[C-]=C12"]
["176680129","CCCC1CCC(CCC2=[C-]C=C=CC2)CC1.[Li+]"]
["79199102","CCCC1=[C]C(CCC)C(CCC)=C1CCC.[CH2-]CCC1=[C]C(CC[CH2-])C(CCC)=C1CCC.[Ca+2]"]
["178779711","CCC1CC#CC1"]
["148817791","CCC=C1[C](C(F)(F)C(F)(F)F)C=CC=C1C(F)(F)C(F)(F)F"]
["96025177","CCCc1cc(CN)cc(N2CCC(CC)CC2)n1"]
["78959011","CCCCC[C]1C(CCCCC)=C=C(CCCCC)C(CCCCC)=C1CCCCC"]
["161537692","c1nc2nc3nc(-c4nc5nc6ncoc6nc5o4)oc3cc2o1"]
["194608929","c1cnc2nc3ncoc3cc2c1"]
["174638202","NC1=CC=CC=C(c2nc3ncccc3o2)C1"]
["122483550","CCc1nc2cc(N=C(O)N3CCN=C(O)C3C(C)C)ccc2o1"]
["60217119","Nc1ccc(C(F)(F)F)cc1-c1nc2ncccc2o1"]
["148833591","Fc1cc(Br)c2ncoc2c1"]
["117433287","Cc1ncoc1CN=C(O)NC1CCCC1"]
["MCULE-9786518357","OC(=Nc1ncccn1)c1ccc2oc(-c3ccccc3)nc2c1"]
["61974210","O.OC(Cc1ccccc1)=NC(S)=Nc1cccc(-c2nc3ncccc3o2)c1"]
["150317082","CCc1cnc2ncoc2c1"]
["7507752","OC(=Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccs1"]
["2660416","Cc1cc(N=C(O)/C=C/c2ccccc2)cc(-c2nc3ncccc3o2)c1O"]
["166443884","IC=C1CSC2=[N+]1CCS2.[I-]"]
["63699396","O=C(O)C=C1SCCS1"]
["158411621","CC1(C)[C@@H](Nc2cnns2)C[C@@H]1N"]
["114542414","NCC1CCCC1Nc1cnns1"]
["176167203","[B+]=C1CS[C-]=C1I"]
["163010801","O=Cc1cc2c(F)csc2cc1I"]
["97715875","C=CCN1C(=S)N2CCC[N+]3=C4SCCCN4S1=C23"]
["178131196","Ic1nn(I)c2c1CCS2"]
["165832995","COC(=O)/C=C1/SCCN=C1O"]
["145426348","O=C(Cl)c1c(C(F)F)ncc(I)c1F"]
["153320516","CC[C@H]1C(=O)N(CC(C)C)C2=[N+](CCS2)C1=O"]
["66101951","C=CC[N+]1=C(C)SCC1"]
["101953739","c1coccs[nH]1"]
["171034968","[2H]N=c1sccn1[2H]"]
["192579090","O=S=O.c1ccoc1"]
["45157056","CC1(C)OC2(C=CNN2)OC1(C)C"]
["191936954","O=S(Cl)Cl.c1ccoc1"]
["79913082","[Pu].[Zr].c1ccoc1"]
["174985963","c1ccoc1.c1ccsc1.c1cn[nH]c1"]
["190182468","[Na+].c1ccoc1"]
["175033022","C1=CCCC1.c1ccoc1.c1ccsc1"]
["174658108","CCNCC.c1ccoc1"]
["185293524","c1cocco[nH]1"]
["175798139","O=[N+]=O.c1ccoc1"]
["23852321","[CH2-]C(=O)C1C[N-]CC/N=C(\\C)[C-](C(C)=O)C[N-]CC/N=C/1C.[Ni+4]"]
["160166582","Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N(C)C2CC2)n1"]
["147181887","CC1C(O)=NCCN1C(=O)[C@@H]1CC[C@H](CN)O1"]
["107647942","Cc1nsnc1[C@H]1NCCN=C1O"]
["182330076","C=CN1CCC(C(=O)C(=C)C)C1=O"]
["98009657","CCOC(=O)[C@H]1C[C@H](C)CN=C1O"]
["128161691","CC(=O)OC1CCN(C(=O)c2sc(-c3cnn(C)c3)nc2C)CC1"]
["80289742","CC(=O)c1c(C)nc(C)nc1SCC(=O)C12CC3CC(CC(C3)C1)C2"]
["7158032","C/C(=C/C(=O)N(C)CC(O)=N[C@H]1CCS(=O)(=O)C1)c1ccccc1F"]
["117127406","Cc1ccc(CN2CCCCCCN=C(O)[C@@H]3C[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C[C@@H]32)o1"]
["85592133","Cc1ncccc1C(=O)N1CCN=C(O)C1C"]
["174198125","CCOC(=O)/C=C(\\C)CC1CC2CC1=CN2C=O"]
["164721575","C=Cn1nnc(N=NN(N=Nc2nnn(C=C)n2)c2nnn(C=C)n2)n1"]
["187892289","C=Cn1nnc(-c2ccc(-c3ccc(N4C[C@@H](C(O)F)OC4=O)cc3F)cn2)n1"]
["195015678","C=Cn1nnc2ccoc21"]
["25045024","C=CC(=O)n1nnc2c(C)cccc21"]
["170820448","C=CN=c1ccc(C)nn1C=C"]
["164721569","CC(C)(C)n1nnc(N=NN(N=Nc2nnn(C(C)(C)C)n2)c2nnn(C(C)(C)C)n2)n1"]
["173552527","C=Cn1nc(C=O)cc1N=C"]
["MCULE-2358999909","C=CCN(CC=C)c1nc(N=C(O)C2CC(=O)N(C(C)C)C2)n(C2CCS(=O)(=O)C2)n1"]
["180887772","C=CN1[C@@H](C)NC2[C@@H](C)[C@H]21"]
["18759512","[O-]c1ccc(/C=N\\n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1"]
["140667382","C=CCCCN(C)C(O)=NC1CCc2nc(CC)nn2C1"]
["179706743","CC1=[NH+]C(=O)CN1n1nnnc1C"]
["170559407","S=P1(N=P2(S)SCCS2)SCCS1"]
["170555621","S=P1(S)SSSP(=S)(S)S1"]
["25387900","CCCc1ccccc1P1(=S)SCCS1"]
["46647621","S=P1(c2ccccc2)CCCS1"]
["170450130","O=[N+]([O-])c1ccc(OP2(=S)SCCS2)cc1"]
["26898377","C[C@@H]1CCC[C@H]1P1(=S)SCCS1"]
["181809549","CC1OP([O-])(=S)S1"]
["66198059","CN(C)P1(=S)SCCCS1"]
["34256909","C=CCP1(=S)SCCS1"]
["60263672","CCOP1(=S)SCCCS1"]
["174967432","C1CS[N-]S1.[U]"]
["174343424","NN=S1CCSC1"]
["168621760","C1[Si]Cc2c1c1c(c3c2C[Si-]C3)C[Si+]C1"]
["199916048","C1OC[Si-]C[Si+]1"]
["44836394","Cc1ccc2c(c1C)CC13CCC(C1)C(=O)C=C23"]
["150626721","CN1CC(C)(NO)C(=O)N(C)C1=O"]
["84089481","C1[Si+]CC2=C1C[Si-]C2"]
["67949025","CN1CC(C)(C)SC1=O"]
["46554796","CN1CC(N(F)F)(N(F)F)CN(C)C1=O"]
["82289917","Cl[Si]12C[Si+]C[Si](Cl)(C[Si-]C1)C2"]
["174168326","CC1=CN(C)C(=O)N(C)C1"]
["197809550","C1CC[Si-]C[Si]C[Si+]C1"]
["178597125","[B]C(C)C(=O)N1C(=O)OCC1(C)C"]
["162164746","CCC1(CC)C(=O)CN(C)C1=O"]
["60831653","C=[O+]C([O-])=C[NH2+][S-]([O-])(O)=C1C=CC(=NC)C=C1"]
["25553865","CC(C)N=Cc1cc(Cl)c(O)c(Cl)c1"]
["50140075","CN=c1[nH]ncn1N=CO"]
["83830109","CC(=NN)c1ccc(S(=O)(=O)N(C)C)cc1"]
["121448301","Cc1cnc(CCN=C(O)C2(c3ccc(Cl)cc3)CCC2)s1"]
["164249186","CN=C1C=CC(=CC=C2C=CN(CC(=O)O)c3ccccc32)C=C1"]
["73798833","CCOC(=O)C1(c2ccc(N=CO)c(C=O)c2)CCC1"]
["175029883","CN=C1C=CC(C=c2ccc(=Cc3ccc(C=C4C=CC=N4)[nH]3)[nH]2)=N1"]
["99843555","C=C(N=CCC)C(O)=NC"]
["51456416","C=NC1=C(C(F)(F)F)C=CC(=O)C1=C1C=CNC=C1Cl"]
["61823447","[2H]C=C(C)S(=O)(=O)c1ccc(C)cc1"]
["1854988","CN=C(O)C1CCN(c2cncc(Cl)n2)CC1"]
["27219551","[O][Ge-]12([O+])OCC[NH+]1CCO2"]
["3725005","c1ccc(COc2ccc(OCCCC[NH+]3CCOCC3)cc2)cc1"]
["78966885","C1CO1.[C-]#[O+]"]
["65514998","CC(=NC=O)C1=NOCCO1"]
["195645757","O=C(/C=C/c1ccccc1)[NH+]1CCOC1=O"]
["173270839","O[NH+]1CCOCC1"]
["75103172","[O]CCCN1CCOC[C@@H]1CO"]
["101038205","I[NH+]1CCOCC1"]
["173646087","O=C(CCl)[NH+]1CCOCC1"]
["26651668","[O]CCCN1CCOCS1"]
["87926619","O=C=NC1COC1"]
["193934685","CC.[CH2-][NH+]1CCOCC1"]
["102970110","CC(C)(C)[Ge](O[Ge](=[O+][Ge-](C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C"]
["99419600","C#CC(C)(C)O[Si-]=[O+]C(C)(C)C#C"]
["96867813","[C-]C(C)(C)C1=C=C(C(C)(C)C)C(C(C)(C)C)C1"]
["180746056","C=C(Cl)[C@@](C)(N)CCCC"]
["172744952","C[Si](C)OCC[C@@H](/C(Cl)=N\\[S@](=O)C(C)(C)C)C(C)(C)C"]
["200344745","CC(C)(C)COc1ncc(Cl)cn1"]
["181822115","CC(C)([O-])CCCOCCl"]
["79067251","CC(N)(N)C(C)(C)OC(C)(C)C(C)(N)N"]
["145237197","CC(C)(C)C(C)(C)ON=NN=N"]
["174405812","C=C.CC(C)(C)O[SiH3]"]
["79316835","CC(C)(OC([O])=O)C(Cl)(Cl)Cl"]
["79782896","[2H]C([2H])(Cl)OC(C)(C)C"]
["79663086","C#CC(O)C(CC)CCCCC1(CCC(O)(C#C)CC)C(O)(C#C)CCC(CCCCC(O)(C#C)CC)(CC(C)C(C)(O)C#C)C1(CCC(C)CC(O)(C#C)CC)CCC(CC)C(O)C#C"]
["172497457","C#CC(O)(CCC)CCCC1(Br)C=CC=C(I)C1"]
["186637300","C#CC(C)(C)C(C)(C)CCCCCC(C#N)CCCCCC(C)(C)C(=C)N"]
["176949626","C#C[C@@H](O)[C@@H](O[C@@H](CO)COC(CC)(C(=O)O)C(=O)O)n1cnc2c(N)nc(Cl)nc21"]
["55742305","C#CCCC(C)(O)C(C)CC"]
["85807226","CCCC1(C(O)=NC(C)CCCO)CCNC1"]
["78285247","C#CC(O)(CC=C(C)C)C(C)CCCC1(C)OC/C(=C/CO)CC[C@H]1O"]
["91730843","C#CCCC(NCC)C1(CC(C)C)CCCC1"]
["169621747","C#CC(C(CC)CCC(C)(C)CCC1CC(CC(C)CCCC)CC(PC)C1)C(CC(C)CC)C(C)(C)C"]
["184227713","CC[NH2+]C(O)CCCCCC[C@H]1CCC(NC(C)(CC)C(=O)[C@H](C)[O-])[C@@H]1C.[U]"]
["171104796","[B+]=c1cccc2c1=C([O-])N=C1N2c2ccc(C(CC)CCC)cc2C12CCCCC2"]
["176624097","CCC1=CCCC([C@]2(C)CCC3(OC(CC)(C(C)CC(C)CC(CC)C(=O)C(C)CC(C)CCCCC(O)C(CC)C(=O)O)C=CC3=N)O2)O1"]
["178257267","C=c1c2cc(F)cc(F)c2n2ccc[n+]2[n+]2cc(F)cc(F)c2[n+]2cccn2c2cc(F)cc(F)c2[n+]2cccn12"]
["MCULE-9692206346","OC(=Nc1cncc(-c2c(F)cc(F)cc2F)n1)c1ccc2nccn2c1"]
["179346284","FC1=C2C(=CC(F)C1)I13(CC(c4cc(F)cc(F)c41)n1ccc[n+]13)[n+]1cccn12"]
["MCULE-6152707576","Cn1cc(C(=O)N2CCOc3ccccc32)c(=O)c2cc(F)cc(F)c21"]
["MCULE-3465710427","O=C(Cn1ccc(=O)c2cc(F)cc(F)c21)Nc1ccc(I)cc1"]
["23447274","CCOC(=O)Cn1c(C)cc(=O)c2cc(F)cc(F)c21"]
["67508008","Cc1cn(C)c2c(C)cc(F)cc12"]
["184439083","CC(I)n1ccc2c(F)cc(F)cc21"]
["75545558","[O-][n+]1cccc2c(O)c(F)cc(F)c21"]
["175340482","CCn1ccc2[n+](C)c(-c3ccccc3F)nc-2c1"]
["MCULE-6114238287","COc1ccc(N=C(O)c2cn(C)c3c(F)cc(F)cc3c2=O)c([N+](=O)[O-])c1"]
["175804621","N=C(O)c1cc(=O)c2cccnc2n1-c1c(F)cc(F)cc1F"]
["98964934","CN=c1[nH]c2ccc(-n3c(O)c4c(c3O)C3(Cl)C(Cl)=C(Cl)C4(C)C3(Cl)Cl)cc2[nH]1"]
["30845162","Cc1cc(=N[C@@H](C)c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)[nH]c(C)n1"]
["80697718","CC1(C)C(C=C(Cl)Cl)C1C(O)=NCc1csc(=S)n1-c1ccco1"]
["8392331","CCc1cc(=NC(=O)Cc2ccc(OC)cc2)[nH]n1-c1ccc(Cl)cc1"]
["75562263","Cc1ncc(-c2cccc3cc([C@H](C)N=c4[nH]c(Cl)nc5cccnc45)n(-c4cccc(F)c4)c(=O)c23)cn1"]
["9293523","Cc1ccc(-n2c([C@@H](C)N(Cc3ccccc3)C(=O)c3ccccc3Cl)nc3ccccc3c2=O)cc1C"]
["100307863","CN=C1NC=CC(=C2C=C(C(=O)c3ccc(Cl)cc3F)C=CC2=O)N1"]
["192411260","CC1(C)C2=C(CN1C(O)=NC1CC1c1ccccc1)C(N=c1[nH]c(Cl)nc(=N)[nH]1)=NC2"]
["114564818","CN=C(O)C1CNCCN1C(=O)c1ccc(O)cc1C"]
["168383313","Cc1ccc(-n2c(O)c(C#N)c(C)c(N=Nc3cccc(C4CCCC(c5nn[nH]n5)C4)c3O)c2=O)cc1C"]
["99080595","Cc1cccc(-c2c(Nc3cc(Cl)ccc3Cl)nc(S)n2-c2ccc3nc[nH]c3c2)c1"]
["118470940","CN=C(NCCCc1ccc(Cl)cc1Cl)NCc1cccc(N=C(C)O)c1.I"]
["170693313","[N-]=[N+]=NC(F)(F)C(F)(F)C(F)(F)C(=O)N(F)[C@@](F)(C(=O)N(c1c(F)c(F)c(F)c(F)c1F)[C@@](F)(C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N=[N+]=[N-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)N=[N+]=[N-]"]
["183289179","CC(C)(O)c1ccc(C(C)(N=[N+]=[N-])c2ccc(F)c(C(F)(F)F)c2)cc1"]
["181300106","CCCCCCCCCCCCCCCCC=CC(C)(N=[N+]=[N-])C(=O)O"]
["182009637","[N-]=[N+]=Nc1cccc(C(=N)O)c1C(F)(F)F"]
["48417613","COC(=O)c1c(-c2ccc(F)cc2)csc1N=C(O)C(F)(F)C(F)(F)C(F)(F)F"]
["181579798","CCNN(N)C(N=[N+]=[N-])(C(C)=O)N(Nc1ccccn1)C(=O)C(N)(c1ccccc1)N(C)C"]
["181594520","[N-]=[N+]=NC1(CN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CCNCC1"]
["91435400","COC(=O)C(C)N=C(O)C(C)(CC(C)C)N=[N+]=[N-]"]
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["70550100","FC(F)(F)C(F)(F)C12C3=C4C5(C(F)(F)C(F)(F)F)C6C7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%14C%12C%12(C(F)(F)C(F)(F)F)C%14C%11C9C(C9C%14C%11C%14C%19C%20C(C3C3C%21C%20C(C%17C%19C%18C%11%12C(F)(F)C(F)(F)F)C%11(C(F)(F)C(F)(F)F)C%16C%12C%16C(C6C(C%16C%21%11C(F)(F)C(F)(F)F)C43C(F)(F)C(F)(F)F)C3C7C%10C%13C3(C(F)(F)C(F)(F)F)C%15%12)C%14C91)C2C85"]
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["77072719","FC(F)(F)C12C3C4C5C6C7C8C9C%10C%11C%12C%13C%14C%10C%10C8C6C3C3C%10C%14C6C8C%13C%10C%12C%12C%13C%11C9C9C7C7C5C5C4C4C%11C%14C5C5C7C9C%13C7C%12C9(C(F)(F)F)C%10C%10C(C%11C(C41)C(C(F)(F)F)(C8%10)C6C32)C9C%14C57C(F)(F)F"]
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["79105208","[C]1=C=C=C=CCC1"]
["179125464","C.[CH2-][C-](C)C1=C=C=CCC1.[U+2]"]
["183654791","[NH2+]=PC1=C=C=CC1"]
["78692525","[C]1=CCCCCC/C=C\\CCC1"]
["173256673","C1=[C-]CCCCCC=1.C1=[C-]CCCCCC=1.[Ni+2]"]
["79512234","[C]1=CCCCCCC1.[Ni]"]
["79447547","[C]1=CC/C=C/CCC/C=C\\CC1"]
["91223878","C1=CCCCCC=1.[Br]"]
["76179106","C1=CCCCSCCC=1"]
["180932622","O=C(Cl)C1C=C=C=C=C=C1"]
["179114639","CC1=C=CCC[C-]1CCI.[U]"]
["79720038","[C]1=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC1"]
["180206630","C=[N+]1C2C3NC321"]
["188041230","CC12NC1N2"]
["177570325","CC12CC(CCN1)N2"]
["178824981","C=[N+]1C[CH-]CC1[CH2-].[U+2]"]
["178500887","C=[N+]1C#CC1(C)N"]
["96733113","CC[C@]1(CO)CO[C@H](c2ccc([C@H]3N[C@](CC)(CO)CO3)cc2)N1"]
["75457801","[O]C1CCC2(CC2)N1"]
["149582285","CC1(N)C2NC21"]
["151338711","FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@H](Cl)[C@@H]1C[C@H]2Cl"]
["179294971","C=CNCP(=C)(O)O"]
["64135799","C=C1CCNC1N.CC"]
["184409677","CCC1(C)NC1O"]
["54107004","[2H]N[C+]1N=C=N[C-](SCCNC2=N[C-](NC)N=C=N2)[N-]1.[K+].[K+]"]
["93948064","CCCn1nccc1C(CSC)NN"]
["166826536","COCCSCCNc1cc(=S)c2scc(C)c2o1"]
["MCULE-6647977902","CCc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(N2CCCCCC2)n1"]
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["165856255","c1cc(C2CCCC2)nc(NCCSC2CNNN2)n1"]
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["176251095","CC(C)(C)OC(O)=NCCN[C-]1N=C=NC(Cl)=N1.[Sc]"]
["51234346","CNc1nsnc1NCCSCc1nc(CN(C)C)cs1"]
["113296411","CSc1cc(NCc2ncon2)ncn1"]
["55598137","CN[C-]1N=C=NC(C)=N1.[W+2]"]
["75083597","C[N+]1(C)[CH+]C[Cl+]OCC[N+](C)(C)[CH-]C1"]
["75774403","C=C1C(=C(C)C)OCC[N+]1(C)C"]
["74033963","CCC=C[N+]1(C)CCOCC1"]
["65362901","CC(C)[N+]1(CCCN)CCOCC1"]
["184172191","CC(C)c1cc([C@@H](C)[C@@H](C)C2=NOCC2)on1"]
["157595514","C[C@H](N=C(O)N1CCC[C@H]1c1ccc[nH]1)[C@H]1CCCO1"]
["178295923","CN[N+]1(N)[CH-]C1"]
["91337373","COC1CCC[N+]1(C)C"]
["197384585","CC1OCCC1/C=C/CO"]
["200142621","CC(=N)N=CC1CCOC[C@H]1O"]
["43697648","CC(C)(C)C1OCC[N+]1(C)C"]
["149644150","CC(C)C(C)C1(C(C)C(C)C(C)C(C)C(C)(C)C)CC1"]
["90947625","C1=CC2N3C1[O+]23"]
["172844999","OPC1C=CC=C1"]
["194624164","N#CC1(F)C(N)C=CN(F)C1(F)F"]
["151175040","O=[N+]([O-])[C@H]1C=CN=C1"]
["91202432","O=C1N=NN=C2SC=CC12"]
["79729094","C1=CC2C[N@@]2C1"]
["102915629","[C-]1=CC2C=CON2O1"]
["195422505","NC([O-])C1C=CN(O)C=C1.[U]"]
["97962070","BC1C(B)C2C=CC1C(B)C2B"]
["97531654","C1=C[Si]23C=C[C@H]2[Si](=[Si]2[C@@H]4C=C[Si]45C=C[C@@H]25)[C@H]13"]
["145494600","CN1OC=CC1N"]
["166439816","CC1C=CN(C)N=N1"]
["184191873","C[I-]C1[I-]CC2C3C4C(C)[C@H]([I-]I)C(I)C5CC([I-]I)C(I)C(C)(C[I-]I)C[I-]C2(C)[C@]2(I)C[C@@]13[C@]4(C)C[C@]52C"]
["151911238","CCC[C@H]1O[C@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(Br)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1"]
["80896186","CC1NNC2CCC(C3C(C#N)=C(c4ccc(Cl)cc4)NC(C(F)(F)F)=C3C#N)CC12"]
["172951463","COc1ccc(C2=C[C@@]3(C)[C@@H](CCC34OCCO4)[C@@H]3C[C@@H]4O[C@@]45CC4(CC[C@]5(C)[C@@H]23)OCCO4)cc1"]
["178847762","CC1[I-]C2(C)C(C)CC(I)C(C)(C)CC2(C)C1C"]
["180928308","C#CC(CC(C)CCC)/C(=C\\C(C)C)CN[C@@H](C)[C@@H]1[C@H](C)[C@@H]1NC=C"]
["170204393","CC1C2CCOC(CCC3C1C3C1(CF)C3C4CCC431)C2"]
["83893587","CC(O)c1ccc(-c2ccc(C[NH2+]C34CC5CC(C)(CC(C)(C5)C3)C4)o2)cc1"]
["195526124","CC1=C2[C@H]1C1C3[C@@H]4[C@H](C)[C@@H]4[C@@](O)(C#CCO)[C@@]3(C)CCC1[C@@]1(C)CC[C@H](O)C[C@@]21O"]
["180027147","C[C-]=[C-]C[C@@]1(C)C[Cl+]C(C)C(C)O[C@H]1C"]
["184135560","CC(C)CC1(C)CC2C=C2C2CC3CC3[C@H](C)C21"]
["68685797","COc1ccc(-c2ccc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)o2)cc1Cl"]
["101032664","CC[PH]1(CC)[C+]=[PH-](CC)(CC)C=N1"]
["93966539","CCN(CC)C(=O)C(C)n1cnnc1CO"]
["80044244","CC1=NC(=NNc2ccc(C)cc2)C(CO)=C(CO)C1=O.Cl"]
["193258390","CCCC[NH-].Cl"]
["93287727","CCCCC(O)=Nc1cccnc1C(=O)O"]
["49610381","CCC(Br)c1nnc(-c2ccc3c(c2)COC3)s1"]
["191313074","C=C.CCN(CC)C[NH+]=C1SC23SC(=[NH+]CN(CC)CC)N2N=C(C)C(C)=NN13"]
["88614521","CCNCC(F)(F)c1ccc(Cl)c(Cl)c1"]
["158398624","C=O.CCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1"]
["185519707","CCSc1ncnc(OC)c1OC"]
["171310829","CCC1CC(CC)NN1"]
["93452504","CC1CNCC(COc2ncc(Br)cn2)O1"]
["166633706","CC(N)C(NSC1NN1)C(C)C(NC1NN1)C(NC1NN1C)C(C)NC1NN1"]
["73694873","CC1=NC(=NC(C)C)NC(NC(C)C)N1S"]
["85676544","Cc1cc(N2CC(C)CCC2C)c([C@@H](C)N)cc1F"]
["96150805","COCCn1cc(-n2cncc2C(N)CC(C)C)cn1"]
["172522301","C[C@H](c1ncc(F)cn1)C1(N)N=CC=C(Nc2cn(C)cn2)N1"]
["108356638","C[C@H](N=C(O)CSc1nnc([C@@H]2Oc3ccccc3O[C@@H]2C)n1C)c1ccccc1"]
["159189496","C[C@H](N)[C@H](C)N1CC(C)(C)C1(C)C"]
["178293462","Cc1ccc(SC2(c3cc(N4CCOCC4)nc(-c4ccc(NC(C)NC5CC5)cc4)n3)CC2)cc1"]
["120892401","CSc1ccc(C(N)C2CNCCN2C)cc1"]
["110691124","Cc1cn2c(n1)CC[C@H](N=c1[nH]nc(C(C)C)s1)C2"]
["85677317","Cc1cc(Sc2nccn2C)c(C(C)N)cc1F"]
["145999022","CC(C)c1nn(C)c2sc(C(=O)N[C@H](C(=O)O)C(C)C)cc12"]
["170695854","C1=C2C3OC3C3OC3C23OC32C(=C1)C1OC1C1OC12"]
["97175746","c1ccc2c(c1)[C@H]1CC[C@@H]2[C@@H]2O[C@@H]21"]
["34457723","O=C1C=CC(F)(F)[C@H]([C@H]2O[C@@H]2c2ccccc2)O1"]
["26647835","COc1ccc2c(c1)C1OC1C(C)(C)C2=O"]
["48949115","OC1c2ccccc2C2OC2[C@H]1O"]
["97559767","CC1=C(O)[C@H](O)[C@H]2O[C@H]2C1=O"]
["151275625","C1[C@H]2C[C@]3(CO3)[C@H]1[C@H]1O[C@H]21"]
["100256871","OCC1=COC(C2(CO)OC=CO2)O1"]
["102936321","[2H][C@@H]1[C@H]([2H])[C@@H]2NN[C@H]1C21OC1(c1ccccc1)c1ccccc1"]
["32565450","Oc1cccc2c1C1(Oc3cccc4cccc(c34)O1)[C@@H]1O[C@@H]1[C@H]2O"]
["170900344","CC1(S)C2CC3C(=O)OC1C3O2"]
["69833509","CC#CC1OC1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["149823942","Fc1[nH]c([C@@H]2CC3C[C@H]3N2)nc1-c1ccc(-c2ccc(C3=NC([C@@H]4C[C@H]5CC5N4)NC3F)cc2)cc1"]
["186800831","OCc1nc(-c2ccc(F)cc2)c(-c2ccnc(N=C(O)C3CC3)c2)[nH]1"]
["15625502","CC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccc(OC)c(OC)c1"]
["24942782","OC(=NCc1ccccc1)C1COC(Cc2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4cccnc4)n3)[nH]2)OC1"]
["16847748","Fc1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)cc1"]
["175611747","CC.Cc1nc2ccc3c(c2[nH]1)OCc1cc(-c2ccc4c(c2)CCC2CC4NC(C(C)C)=N2)ccc1-3"]
["120852922","Brc1ccc(-c2ccnc(C3CNCCO3)n2)cc1"]
["172536902","Cc1onc(-c2ccc(F)cc2)c1COc1cc[nH]n1"]
["119105416","OC(=NCCCC1CCCCC1O)c1c[nH]nc1-c1ccc(F)cc1"]
["187494647","Clc1ncccc1OC[C@@H]1C[C@@H]2C[C@@H]2N1"]
["182045461","O=C(CN1CCC(F)(F)CC1)C1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1"]
["143583619","Fc1ccc(-c2n[nH]cc2CN2CCCC(N3CCCC3)CC2)cc1"]
["171691473","O=C1C=CC(=O)Oc2c3n(cc(c2=O)O1)OC(=O)C=CC(=O)O3"]
["80713012","C=C(C)CN1C(=O)C(=NCc2ccco2)N=[N+](CC(=C)C)C1=O"]
["171679870","CCCNCC(COc1ccc2c3c(=O)c(c(-c4ccccc4)oc13)OC(=O)/C=C\\C(=O)O2)OC(=O)c1ccccc1"]
["91615747","Cc1c(C(=O)O)nnc2c1Oc1ccccc1O2"]
["62030205","O=C(O)c1cc2c(s1)C=CCO2"]
["200029538","O=C1/C=C/C(=O)On2c(c(CCN3CCC3)c3ccccc32)O1"]
["74431744","C=CCOC(=O)/C=C\\C(=O)OCC=C.O=C1C=CC(=O)O1"]
["159397423","Cc1ccc(Cl)cc1.O=C1C=CC(=O)O1"]
["192163086","O=C1C=CC(=O)O1.[Ni]"]
["82711987","NC1CCN(C2=NC3=CC=CC(=O)C3C=C2)C(N)C1"]
["200604521","O=C1C=C/C(=C(/Br)c2cccc([N+](=O)[O-])c2)O1"]
["69502069","CC(C)C=C1C=CC(=O)O1"]
["178774305","[B]1C2=[C-]C(c3[c-]cccc3)=C=C3[C-]2[N+]2(C4C(=C=C[C-]=C14)C1=C=CCN12)C1CCCC31.[U+2].[U+2]"]
["190805595","Cc1cc(C)cc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]cccc3)c(C(C)C)c2)c1.Cc1cc(C)cc(-c2cc(C(C)C)c(-n3ccnc3-c3ccccc3)c(C(C)C)c2)c1.[Ir]"]
["198130233","CC(C)(C)C=C1C=C(c2[c-]cccc2)[N-]C=C1[Si](C)(C)C.CC1=C2c3ccc(C(C)C)nc3OC2C(c2nc3cc(C)nc(C)c3n2C(C)(C)C)=C=C1.[Ir]"]
["171590688","CC(C)(C)c1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(C2=C=C[C-]=C3C2C(C)(C)c2ccccc2C3(C)C)c1.[Ir]"]
["171607180","C1=C[C-]=C(c2cccc(-n3c4ccccc4c4ccccc43)c2)CC=1c1[c-]cccc1.C1=C[C-]=C2Oc3ccccc3C2C=1.[W]"]
["68297628","c1ccc([C@H]2CCCC2CCCC2CCC[C@@H]2c2ccccc2)cc1"]
["189879107","CC(C)C=C1C=C(c2[c-]cccc2)[N-]C=C1[Ge](C)(C)C.Cc1ccc2c(n1)OC1C(c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccc5ccccc5c4)cc3C(C)C)=C=CC(C(C)C)=C21.[Ir]"]
["172927878","[Y].[Y].[c-]1ccc(-c2[c-]cccc2)[c-]c1-c1[c-]cccc1"]
["171435852","CC1=C2c3ccc(C)cc3SC2C(c2nc3cc4ccccc4cc3n2-c2cccc3ccccc23)=C=C1.[2H]C(C)(C1=[C-]C(c2[c-]cccc2)=C=CC1=[Ge-](C)(C)C)C(C)C.[Ir+3]"]
["3569578","COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1Cl"]
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["170527490","Cc1cccc2cnc(-c3[c-]cccc3)cc12.OC1CCCC2CCC(O)C12.[Ir]"]
["174044821","[B+]C([B+])([B+])[C-]1[CH-][CH-][C-]2C(=[B-]3c4sc5c(c4N([c-]4[cH-][cH-]c6c([cH-]4)C(C)(C)CCC6(C)C)c4cc(N([C-]6C(=[B+])C(=[B+])C(=[B+])C(=[B+])C6=[B+])[C-]6C(=[B+])C(=[B+])C(=[B+])C(=[B+])C6=[B+])cc(c43)N2[c-]2cc[c-](C([B+])([B+])[B+])[cH-][cH-]2)C(C)(C)CCC5(C)C)[CH-]1"]
["173801154","[B+]/C(C(O)=Nc1ncc2[cH-][cH-][c-](C3=[C-][N-]C(C)N3C)[cH-]c2n1)=C(/[B+])[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])C1=[B+]"]
["188153698","CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)cc4c3B(c3ccc5c(c3N4c3ccc4c(c3)C(C)(C)CCC4(C)C)C(C)(C)CCC5(C)C)c3sc4c(c32)C(C)(C)CCC4(C)C)c(-c2c#cccc2)c1"]
["150090420","Cc1c(N(c2ccc(C(=O)O)cn2)S(=O)(=O)CCC2(C)CCC(C)(C)c3sc(N(c4ncc(C(=O)O)cn4)C4CC4)c(C)c32)sc2c1C(C)(C)CCC2(C)C"]
["198464497","CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4sc5c(c4N(c4ccc6c(c4)C(C)(C)CCC6(C)C)c4cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)cc2c43)C(C)(C)CCC5(C)C)cc1"]
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["176110681","COc1ccc(C2CC2C=O)cc1-c1sc2c(c1C)C(C)(C)CCC2(C)C"]
["198466155","[2H]c1c([2H])c([2H])c(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)N(c2ccc5c(c2)C(C)(C)CCC5(C)C)c2c(sc5c2C(C)(C)CCC5(C)C)B4c2ccccc2N3c2ccccc2)c([2H])c1[2H]"]
["198465707","CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4sc5c(c4N(c4ccc6c(c4)C(C)(C)CCC6(C)C)c4cc(N6c7ccccc7C(C)(C)c7ccccc76)cc2c43)C(C)(C)CCC5(C)C)cc1"]
["198476803","Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1-c1cc4c(cc1C)C(C)(C)CCC4(C)C)c1c(sc4c1C(C)(C)CCC4(C)C)B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1"]
["198463940","Cc1ccc(-c2ccccc2)c(N2c3cc(-c4ccccc4)ccc3B3c4sc5c(c4N(c4ccc(C(C)(C)C)cc4)c4cc(C)cc2c43)C(C)(C)CCC5(C)C)c1"]
["179791040","C=CN1C[C@H]2C[C@]1(C13CCC(CC1)I3C=C)CN2"]
["51655195","CC1CN(Cc2ccc(Cl)c(Cl)c2)C(C)(C)CN1"]
["162522411","C=CCC(=O)N1CCC2NCCC2C1"]
["197607928","C=CCOC(=O)N1CC(C(=O)O)CCC12CCC2"]
["98578005","C=CC1(C)OC2CCN(C)CC(O)C2O1"]
["164070312","Cl.FC1(F)CCC2CC1CN2"]
["42420025","C=CC=C(C)C=CC1C(C)CCCC1(C)C"]
["197840783","C=CCN1CC(O)C2(CC2)C1.Cl"]
["162668684","O=C(C1CC(F)(F)CN1)N1CC(O)C1"]
["173040232","C=CC1(C=C)CCCC1C"]
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["179108817","C=C[C@@H]1CC23CC2(C3)N1C(=O)CC1CCOCC1"]
["184185350","CNC1(C#[NH+])CCC(OS)(OS)CC1"]
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["177095265","[2H]C([2H])(C)C(C)(C)C([2H])([2H])C"]
["27417704","CCC(C)(c1ccc(-c2ccc(O)cc2)c(C)c1C(C)(C)C)c1ccc(-c2ccc(O)cc2)c(C)c1C(C)(C)C"]
["79086034","CCC(C)(C)O[NH3+].[OH-]"]
["181703080","CCCC[C@H](NC)C(=O)N(C)C(C(=O)N=[N+]=[N-])C(C)(C)C"]
["150101144","CCC(C)(C)C1CC2CC21"]
["91138719","CCC(C)(C)SC(O)CO"]
["89329678","CCC(C)(CN)C(F)(F)F"]
["193037297","CCC(C)(C)O.NCCO"]
["93656507","CCC(C)(O)CNCC(C)CO"]
["181432743","CCCCCC(C)(CCO)N(N)N=[N+]=[N-]"]
["196534789","CC(C)(C)N=C(O)[C@@](C)(N)CO"]
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["58794197","O=[As](=O)F"]
["91119204","O=[As](=O)[O-].[Pb+]"]
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["62947618","O=[As](O)S.[Mo].[OH-]"]
["99357651","C=CO[As]([O])OC=C"]
["99403692","CC(C)C(=O)O[As]=O"]
["174655795","O=CN1CCC(N2CC[C@H](F)C2)CC1"]
["161652919","CC[As]=O"]
["163341473","COC(=O)C1(C)CCC(C)N1"]
["91119195","O=[As][O+]=[Ge-]"]
["44933276","C=C1C(C)=[Si](C)C(C)=C(C)[Si-]1C.[Na+]"]
["97824502","Cc1cc(C)nc([Te-])n1.[Na+]"]
["195695281","C=C1CC(CO)=CC=C1C"]
["75901171","C=S1(=C)C=CC(C)=C1C"]
["173354112","C=C1C(C)=CN=CN1N"]
["168278766","C=C1C(C)=CCC=C1C"]
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["195903779","C=C1C2=C(CC(C)C2)C[C@@H]1C"]
["79232983","C=[P-](C)(O)(O)O.[Na+]"]
["178283293","C=c1c(C)c(Cl)c(=C)c(C)c1Cl"]
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["174028133","[B]C1C(OC)CC(C2OC2O)C(C)C1OC"]
["54900218","[B][C@H]1CC(C)[C@H](C(C)O)O1"]
["162275547","OC1CC2CC3OC(CC13)O2"]
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["51449518","C[C@H]1O[C@H](CN)[C@@H](O)C[C@H]1F"]
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["199513811","COC1COCC1O.COC1COCC1O"]
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["69527775","C[Si](C)C[Si+]CCCCC[Si-]"]
["172775651","C[SiH2]CCCCCCOC(C)(C)C.Cl.Cl"]
["172537579","[Se]CCCCCC[Se]"]
["79292950","CC[Si](C)C.CC[Si](C)C.[Dy]"]
["91057247","C[Si](C)CC[Si](C)(C)N"]
["180294626","CC[Si](C)C.[CH3-].[Y]"]
["181518467","CCCCCCCCCC[S+]1CCCC1"]
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["47606346","CC[Si](C)C.[Y]"]
["97474152","CN(C)CCCN(C)CC(=O)C1CC2CCCCCCC3CC(C(=O)CN(C)CCCN(C)C)C45c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c(c%18c%19c4c4c6c6c8c8c%10c%10c%11c%11c%13c%13c%20c%14c%17c%14c%18c%17c%19c%18c4c4c6c8[c+]6c%10c8c%11c%13c%10c(c%14%20)c%17c%11c%18c4[c+]6[c+]8[c+]%10%11)C35C%16=C7C92C%15%121"]
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["78296358","[CH2-][CH-]CCCCCCCCCCCCCCCCI.[Mg+2]"]
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["175433727","[O-]NSN[O-]"]
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["182513800","N#Cc1cc(N=[N+]=[N-])ccc1N1CCCC1=O"]
["84143824","N#CC1=CC2=C(SC1)c1ccccc1CC2"]
["110966823","[SiH3][Si]#[Si][Si]#[Si][Si]#[Si][Si]#[Si]OI"]
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["101456449","CO[Si]#[Si][SiH3]"]
["184296395","FC(F)(OI)OI"]
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["187677054","OC(I)=NCCCCCCCCOI"]
["176109026","SP(I)OI"]
["159297792","CCc1cc(S)cc(OC)c1I"]
["78410757","C=I(C)(C)OOI"]
["78449276","ICOOOI"]
["101781006","[SiH3][Si]#[Si]OCI"]
["100888576","C[Si]#[Si][SiH3]"]
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["148772828","O=C(O)C1(NS)CCCC1"]
["25147495","CCC1(CC)NCC2(CCCCC2)S1"]
["23786253","C1CCC2(CC1)NCCS2.Cl"]
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["176093634","[2H]C([2H])([2H])OC1(N)CCCCC1"]
["182340939","C1#CC2(CCCCC2)NN1"]
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["86010775","CC1CSC2(CCC(C)(C)CC2)N1"]
["162068645","C1CCC2(CC1)NCCCCS2"]
["103989471","OC[C@H]1CSC2(CCCCC2)N1"]
["63609424","CCCCC1(CC)CCCN1"]
["161768440","Brc1c(Br)c(Br)c(COCC#Cc2c(Br)c(Br)c(C#CCOCc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br"]
["100332688","COc1c(Br)c(Br)c(CBr)c(Br)c1OC"]
["185200455","Fc1cc(F)c(F)c(COCc2c(F)c(F)cc(F)c2F)c1F"]
["144896500","COCc1cccc(Br)c1CN"]
["194527398","C#CCOCc1c(COCC#C)c(COCC#C)c(COCC#C)c(COCC#C)c1COCC#C"]
["145068562","CCOC(=O)C(=O)c1cc(F)c(COC)c(Br)c1"]
["162251560","CCn1c(C)c(Br)c(C#N)c1C"]
["114617725","Cc1cc(Oc2ncnc(Cl)c2CCl)cc(C)c1Br"]
["182283580","O=C(O)C1C(Br)=C(Br)C(Br)=C(Br)C1(Cc1c(Br)c(Br)c(Br)c(Br)c1Br)C(=O)O"]
["184825441","CC(C)COCCCOCC#Cc1ccc(C(C)NC(C)C)cc1"]
["170994640","CCOC(=O)c1cc(Br)c(C)c(C#CCOC)c1"]
["90238293","COc1c(C)cc(C(=O)CN)c(C)c1Br"]
["75229942","ClC1=CC2=C=CN[C]2C(Cl)=C1"]
["75844158","CNC1=CC2=C=CN[C]2C=C1"]
["65561367","NC1=CC=CC2=C=CN[C]21.[Ga]"]
["27920216","O=C(O)C1CC(Sc2ccccc2)N2C=C(Cl)C=C(Cl)C2=N1"]
["25234979","ClC1=CC2=C=CN[C]2C=C1"]
["52526763","O=C1C(Cl)=CC(Cl)=C/C1=C/Nc1ccccc1N/C=C1\\C=C(Cl)C=C(Cl)C1=O"]
["77175795","CN(NC=C1C=C(Cl)C=C(Cl)C1=O)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1"]
["144885701","CC1=CC(Cl)=C/C(=C2\\C=C(N)NN2)C1=O"]
["51477400","CCOc1ccc(C(=O)NNC=C2C=C(Cl)C=C(Cl)C2=O)cc1"]
["48313100","O=C1C(Cl)=CC(Cl)=C/C1=C\\NC1CCCCC1N/C=C1\\C=C(Cl)C=C(Cl)C1=O"]
["74162643","[C+]1=C2N[N-]C=C2CCN1"]
["161874442","O=C1C(Cl)=CC(Cl)=C/C1=C\\Nc1cc(Cl)ccc1S"]
["96980990","[N-]C[C+]=[C+][C+]=[C+]C[N-]"]
["96969614","C[C+](C)[CH+]C[N-]"]
["66618279","[N-]CC[N-]CC[N-]"]
["173641203","[CH2]C[N-].[Ti+]"]
["99400049","[CH+]CC[N-].[Sb]"]
["24850362","C[CH-]C[C+]CC"]
["185214014","[N-]=[N+]=C1C(Cl)C1Cl"]
["102902415","CC[C+]=C(CC)CC"]
["26287633","[CH2+]C[N-]"]
["78238765","[N-]CCO.[Na+]"]
["78240918","[Li+].[N-]CCO"]
["97407127","[N-]CCN(CC[NH3+])N(O)[N+]#[O+]"]
["164444757","CCC(C)C(=O)CN=C(O)C1CC(I)CN1C(=O)C1CC(I)CN1C(CC)(CC)C(=O)C1CC(I)CN1C(O)=NN=C(O)C1CC(I)CN1C(CC)(CC)C(=O)CN=C(O)C1CC(I)CN1C(=O)C1CC(I)CN1C(CC)CC"]
["146940329","CCC(CC)n1ncc(C(O)=NCC2(C(=O)O)CCCCC2)c1C"]
["188890950","Cc1ncsc1-c1ccc(CN=C(O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(Cc3ccccc3)nn2)C(C)(C)C)cc1"]
["136106396","CCC=C(C)C(=O)N1CSCC1C(O)=NCC(C)(O)CC"]
["19387038","Cc1[nH+]ccn1C[C@@H](C)CN=C(O)[C@H]1CCCN1C(=O)OCC(F)(F)F"]
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["MCULE-9870393705","CC(C)CCN=C(O)C1CC(O)CN1C(=O)c1ccc(=O)n(CC(C)C)c1"]
["90503442","CC(C)CC(N=C(O)CN=C(O)C1CCCN1C(=O)C(CC(C)C)N=C(O)C1CCCN1)C(=O)N1CCCC1C(O)=NC(CC(C)C)C(O)=NC(CO)C(O)=NC(CCCCN)C(=O)N1CCCC1C(=O)O"]
["45755473","CCCC(C)N=C(O)C(C)N(CC)C1COCC1C(=O)O"]
["113108795","CC(N=C(O)N1C[C@@H](O)C[C@H]1C(=O)O)c1cn[nH]c1"]
["133904464","Cc1ccc(C(CN=C(O)C(=O)c2ccc3c(c2)CCC3)N2CCOCC2)o1"]
["195261784","COc1ccc(OC)c(C(O)C(C)N=C(O)[C@H]2C[C@H](O)CN2C(=O)[C@H](n2cc(C3CC3)nn2)C(C)(C)C)c1"]
["166437898","C=CCC1CC2NC3CCCC45CCCC67CCC6NC6CCCC89CC%10(CC%11%12CC%13(CCC%13NC%13CCC%13%14CC%13%15CC%16(CC%17%18CCCC(NC%19CCC%19%20CC%19(C%20)CC%20(CC%21(CC%22(CCC%22)C%21NC%14%13)C%20)C%19NC%17%16)C%18NC68)C%15NC%11%10)C%12NC34)C9NC3C7NC4CCCCC46CC4(C6)CC6(CC12C6)C4NC35"]
["163446144","CC[C@H]1C[C@@H]2CN(CCC3C4CCCCC4NC3C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@]5(CC)C=CCN6CC[C@]43[C@H]65)C2)C1"]
["160350598","CC1CC(CN=C(O)NCC2(CO)CC3(CCC3)C2)CCO1"]
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["160804168","CC1(C)CCCC(NC(O)=NCC2CCOC3(CCC3)C2)C1"]
["172205360","OC(=NCC1CCCCC1)C1CCC([C@@H]2C[C@H]2C(O)=NC2CCC3CNCCC3C2F)CC1"]
["180454681","CNCCN(C)CC1CCCC(C2CC(C(O)=NCC3CCC(F)CC3)C3CNN(C(C)C)C3N2)C1"]
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["SN0397035-01","CC(=O)O[C@@H]1CC[C@@]2(C)O[C@H](O)[C@@]1(C)[C@@H]2CC[C@@]12[C@H]3N[C@H]4[C@@H](CC[C@]45CCC[C@@H]51)[C@@]2(C)CC[C@H]3C(C)C"]
["159903755","CC(C)(N=C(O)C1CC12CCCC2)C(O)=NCC1CCCCC1"]
["60469527","C=CCCCC(=O)C1CC2(CCCC2)CCC1NC(CSC1CCC2(CCCC2)CC1C(=O)CCCC=C)C(=O)OCC"]
["160464302","OC(=NCC1CCCC(F)(F)C1)NC1C2CCOC2C12CCC2"]
["33340859","[2H]O[C@@]1(C#CC([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[C@]2([2H])[C@]1(C([2H])([2H])[2H])C([2H])([2H])[C@]([2H])(c1c([2H])c([2H])c(N(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c1[2H])C1=C3C(=C([2H])C(=O)C([2H])([2H])C3([2H])[2H])C([2H])([2H])C([2H])([2H])[C@]12[2H]"]
["170695409","CC#C[C@]12CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@@H](c4ccc(N(C)CCOCCOCCOCCOCC(=O)O)cc4)C[C@@]31CO2"]
["82313775","CC#CC1(C(=O)COC(C)=O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(NC)cc3)CC21C"]
["53065527","Cc1cc(=O)c(C2=NCCS[C@H](c3ccccc3[O-])C2)c(O)o1"]
["69741523","CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C4CCCCC4)cc3)CC21"]
["73519392","COCC(=O)[C@@]1(OC)CC[C@H]2[C@@H]3CCC4=C/C(=N\\O)CCC4=C3C(c3ccc(N(C)C)cc3)C[C@@]21C"]
["98633795","CC#C[C@]1(O)CC[C@H]2[C@@H]3OC=C4CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C"]
["176561201","C#CC(C)C.CC(C)N(C)c1ccc(C2CC3(C)C(O)CCC3C3CCC4=CC(=O)CCC4=C23)cc1"]
["61318845","CCC(=O)[C@@]1(C#CCO)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N)cc3)C[C@@]21C"]
["99157972","CN(C)c1ccc(C2C[C@@]3(C)[C@@H](CCC34CCC(O)=N4)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1"]
["195710440","COc1ccc(N(C)C(=O)[C@]23CC2c2cccc(c2)CS(=O)(=O)Cc2[nH]c4ccccc4c2CC(O)=N3)cc1"]
["77366814","CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)CCC(=O)OC)cc3)CC21C"]
["81542055","CC(=[C+]C(C)=[Si](C)CC[Si-](C)C[Si](C[Si-](C)C)(C[Si](C)(C)CC[Si](C)(C)c1cccc(N(C)[C-]=O)c1)C(CC(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)OF)C(F)(F)F)C(F)(F)F)N[C]=O.[Rf].[Rf]"]
["145545815","COc1ccc2c(c1)CCN(C(=O)c1cc(O)no1)[C@H]2C(O)=Nc1cc(F)c(C(C)(C)COCC(F)F)c(F)c1"]
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["34408297","CN(CCCCCCC1=C(c2ccc(F)c(F)c2)CCCc2cc(O)ccc21)CCCS(=O)(=O)CCC(F)(F)C(F)(F)F"]
["47004284","COc1cccc(C(=O)N(C)C)c1OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C"]
["149803472","[C-]#[N+]c1cc(CN(C)C(=O)c2ccc(F)cc2[C@@H](C)Oc2cc(Br)cnc2N)on1"]
["118203001","CC(C)c1cc(CN=C(O)NCC(O)c2c(F)cccc2F)on1"]
["144331648","COc1ccc2c(CNC(C)(C)C(O)=NCC3CCCCC3)cc(=O)oc2c1"]
["66630780","C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2cc(C#Cc3cccc(F)c3)ccc2S1(=O)=O"]
["145347069","O=C(COC(=O)c1cccc(C2(C(F)(F)F)N=N2)c1)c1ccc(C2(C(F)(F)F)N=N2)cc1"]
["MCULE-4827800670","COc1cccc(N(CC(F)(F)F)C(=O)C=Cc2cc(OC)ccc2OC)c1"]
["17169949","C1=C([C@@H]2N=N[C@@H](c3coc4c3CCCC4)O2)CN=N1"]
["146924319","CC(C)CC(CNC(=O)c1noc2c1CCCCC2)C(=O)O"]
["48508057","[NH+]#Cc1c(N2CCCCC2)nc(-c2ccco2)c2c1CCCC2"]
["67299990","NCC1CC(=O)N(c2cccc3c2CCCC3)C1"]
["134279328","CCCC(C)CC(O)=NC1CCCc2occc21"]
["89115479","COc1ccc(C(N)c2c(C(C)C)oc3c2CCCC3)cc1"]
["110446859","O=C1CCCN1c1ccc(OCC(O)=N[C@H]2CCCc3occc32)cc1"]
["157761541","CC1(C)C[C@@H](O)CCN(C(=O)c2noc3c2CCCC3)C1"]
["56034957","CN[C@H]1CCN(c2nc(=N)[nH]c3c4c(oc23)CCCC4)C1"]
["191520427","NCc1c(S(=O)(=O)NC2C[C@@H]2N)ccc(-c2cccnc2N)c1C1=NCN=N1"]
["48081821","COC(CNC1CCCc2occc21)OC"]
["MCULE-7410700149","CC(O)=Nc1cccc(N=C(O)CCc2c(C)c3cc4c5c(oc4c(C)c3oc2=O)CCCC5)c1"]
["199248270","[B+]C1([B+])N=C(O)N(CC2=C[N-]N3C=C(CN=C(O)C4=C(C(F)F)[N-]O[N-]4)[N-]C3=C2)C([B+])([B+])C1(F)F"]
["10729556","CCc1cc(CN=C(O)C[C@H]2C(O)=[NH+]CCN2Cc2cccc(F)c2)on1"]
["123232783","Cc1csc2nc(CN=C(O)C(F)F)nc(O)c12"]
["105700441","Cc1noc(C(C)C)c1C(O)=NCc1ccc(CN2C(=O)C(C)(C)N=C2O)cc1"]
["106257984","Cc1nc[nH]c1CN1CC[C@@H](CN=C(O)c2cccc3cnccc23)C1"]
["138126697","CN(Cc1ccc(O)cc1)C(O)=NCc1cccnc1OCC(F)F"]
["164618086","C[C@H]1CN(C2CC[C@@](C(O)=NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)OC2)CCN1C1CCOCC1"]
["MCULE-3918307036","COc1ccc(CN2CCC(F)(CN=C(O)C3(C)CC3)CC2)cn1"]
["67236103","CC[C@@]1(c2ccccc2)N=C(O)N(N=C(O)c2cccc(CSC)c2)C1=O"]
["156245075","CSSCO[C@H]1C[C@H](n2cc(C#CCN=C(O)C(F)(F)F)c3c(OC(=O)N(c4ccccc4)c4ccccc4)nc(N=C(O)C(C)C)nc32)O[C@@H]1CO"]
["100133297","OC(=NCc1cnc(O)nc1O)C1CCN(Cc2ccco2)CC1"]
["169930989","OC(=Nc1cccc(N2CCOCC2)n1)c1ccc(NSCC(F)F)cc1N1CCC2(CC1)CC2"]
["79585029","CCC[Si](CCC)(CCC)CCCCCC[Si](CCC[Si](CC)(CC)CC)(Oc1c(F)c(F)c2c(c1F)=C(F)[C](F)C(F)=C=2)C(C)C"]
["53537617","CCCCCCCCCCOc1c(F)c(F)c(COC)c(F)c1F"]
["79565098","CC(C)[Si](Oc1c(F)c(F)c2c(c1F)[C](F)C(F)=C2F)(C1CCCCC1)C(C)(C)C"]
["172937869","CCCCCCC[Si](CC(O)CO)(OC)O[Si](C)(C)c1ccccc1"]
["65672878","CC[N+](CC)(c1c(F)c(F)c(OCC(=[OH+])COc2c(F)c(F)c([N+](CC)(CC)[S-](=O)=O)c(F)c2F)c(F)c1F)[S-](=O)=O"]
["183142185","CCCCCCCCC[Si](CCCCCC[Si](CCC)(CCC)CCC)(Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2(F)N=[N+]=[N-])C(C)C"]
["183653912","CCC(C)[C@H](N=[N+]=[N-])C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cs1)C(C)C"]
["111915183","CCCCCCCOc1c(N)cc(N)c(Cl)c1F"]
["175070976","CCCCCCCCCCCCCCCCCC[Si](C)(C)[N+](OC)(OC)OC.[Cl-]"]
["183133660","CCCCCC[Si](CCCCCC)(CCCCCC)CCCCCCCCOC(=O)/C=C\\C(=O)[O-]"]
["6574996","CC[C@H](C)N(Cc1cccc(OS(=O)(=O)CC)c1)C(=O)c1ccco1"]
["79201121","CC(C)[Si](OC1=C(F)C(F)=C=C(F)[C]1F)(C(C)C)C(C)C"]
["170585518","Cc1cccc(C)c1N=P(C1=C([N-]c2c(C)cccc2C)CCC1)(C(C)C)C(C)C.Cc1cccc(C)c1[N-]C1=C(P(C(C)C)C(C)C)CCC1.[Fe+2]"]
["34754878","COc1ccc(C(C(O)=Nc2c(C)cccc2C)N2CCN(c3ccc(C)cc3)CC2)cc1"]
["13955659","Cc1cccc(C)c1N=C(O)CN(C)C(=O)c1cccc(OCC(C)C)c1"]
["49667098","C=C1NC2=C(C(=O)CCC2)C(c2cccc(O)c2)C1C(=O)OCC"]
["MCULE-3038523521","Cc1ccc(C(O)=Nc2c(C)cccc2-c2ccccc2C(F)(F)F)c(C)c1"]
["17032979","Cc1cccc(C(C)C)c1N=C(O)Cc1ccc(-n2cccc2)cc1"]
["MCULE-7361669704","CCCc1ccc(-c2cccc(C)c2N=C(O)C2CCC(=O)O2)cc1"]
["152980330","Cc1cccc(C(C)C)c1N=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O"]
["115914021","Cc1cccc(C)c1N=C(O)CCNCCc1ccc(S(N)(=O)=O)cc1"]
["174065292","CC(C)[C@@H]1Cn2ncc(S(=O)NC(O)=Nc3c4c(cc5c3CCC5)CCC4)c2O1"]
["60576202","CCN(CC)C(=O)c1cccc(C)c1N=C(O)C(N=C(O)C1CCN(CC(O)=Nc2cccc(C(=N)O)c2C)CC1)C(C)C"]
["153197755","Cc1ccc(C(=O)N2CCCS/C2=N/c2c(C)cccc2C)c(C)c1"]
["100742581","[O-][N+](=NC1=CC=c2cc[nH]c2=CC1)C1(C2=C=CC3=C(C=C2)OCO3)CC1"]
["193287266","OC(=Nc1ccc(C(F)(F)F)c(-c2ccc3[nH]ccc3c2)c1)C1(c2ccc3c(c2)OCO3)CC1.[HH]"]
["130066546","CC(CN=C(O)c1cc(F)ccc1[N+](=O)[O-])N1CCOCC1"]
["140325950","Cc1ccc(-n2[nH]c(=NC(=O)c3cccc(C)c3[N+](=O)[O-])cc2C)cc1"]
["150791118","Fc1ccc2c(c1)OCC[C@]21CCN1"]
["179592896","CNc1[nH]ccc1C(=N)C(=NN)C(C)CCCN(C)C1=CCC(C)(F)C=C1"]
["161421540","O=C(C1CC1)N1CC(CN2C(=O)C3(CCN(S(=O)O)CC3)N=C2C2C=CC(C3C=c4cc[nH]c4=CC3)=CC2)C1"]
["MCULE-9656647100","CC(C)(N=C(O)c1ccc2cc[nH]c2c1)C(O)=NCC(c1ccc2c(c1)OCO2)N1CCOCC1"]
["100581776","O=C1c2cc3cc[nH]c3cc2C(=O)C2C=c3cc[nH]c3=CC12"]
["47147237","OC(=NC1(CN2CCCC2)CCCCC1)[C@H]1OCOc2ccccc21"]
["170356633","BrC1(Br)C=Cc2[nH]ccc2C1"]
["98031217","C1=c2cc[nH]c2=CNN1"]
["51171867","NC1CCC(N(C2CC2N)N(C2CCC2N)N(C2CC(N)C2)N(C2CCCC2N)N(NC2CCCCC2N)C2CCC(N)C2)CC1"]
["102001210","Cc1ccc(CN[C@H]2CCCC[C@@H]2N)cc1"]
["47959427","CCN(C(=O)COC1CC(N)C1)C1CC1"]
["95228947","N#Cc1ccc(S(=O)(=O)NC2CCCCC2N)cn1"]
["119898829","CCCOc1cccnc1N[C@@H]1CCCC[C@H]1N"]
["54649403","NC1CCCC(Br)C1Br"]
["164097050","N=C(O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1NC1(O)C=CC=C(c2ccc(Cl)cc2)C1"]
["129314845","Cc1ccc(-n2nc(C(=O)N[C@@H]3CCCC[C@H]3N)c3c2CCCC3)cc1.Cl"]
["49133087","CC1CCCC(N(C)C(=O)CC2CCC(N)CC2)C1"]
["104490861","C[C@H]1CC[C@H](N)C[C@@H]1C[C@@H]1CCCC[C@@H]1N"]
["187562274","COc1ncc(-c2cnc(N(C(=O)O)C3CCC(N)CC3)nc2)cn1"]
["78737671","Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(=N)O)on1"]
["97292405","[O]c1ccc([O-])c2c1SC(=C1SC3=C(S1)C(=O)C=CC3=O)S2"]
["57804451","C=[N+]1C(=O)SC=C1[O-]"]
["42453704","O=C1C=C/C(=C(\\c2ccc([O-])c(O)c2)c2ccccc2S(=O)(=O)O)C=C1O"]
["46643832","[O-]c1ccc(SBr)cc1"]
["53055389","O=C1C=C/C(=C(/c2ccc([O-])c(O)c2)c2ccccc2S(=O)(=O)O)CC1=O"]
["88801614","NCC1=CS/C(=C2\\C=CC(=O)C(O)=C2O)N1"]
["52323490","O=C1C=CS/C1=C1\\N=C(c2cccc(Br)c2)NO1"]
["27283498","O=C1C=C/C(=C(\\c2ccc(O)c(S(=O)(=O)O)c2)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)O)C=C1S(=O)(=O)O"]
["154918018","CCC[n+]1ccc(C2=CC(=S(=O)(O)O)C(=C3C=CC(=O)C(S(=O)(=O)O)=C3)S2)cc1"]
["91125668","Nc1ccc(N)c2c(O)c3c(c(N)c12)C(=O)C=CC3=O"]
["99297976","CC(C)(C)C1=C(C(C)(C)C)C(=C2NN=C(C(F)(F)F)S2)C=CC1=O"]
["58589674","O=c1cc(C[O-])[nH]cc1[O-].[Na+].[Na+]"]
["164484452","CC1(C)OB(/C=C/C/C(=C\\[Si](C)(C)C)CB2OC(C)(C)C(C)(C)O2)OC1(C)C"]
["170803410","CC1(C)OB(C(=Cc2ccc(F)c(C=O)c2F)CS)OC1(C)C"]
["161946422","CC1(C)OB(/C(=C\\c2ccccc2F)c2ccccc2)OC1(C)C"]
["100823679","C=C/C(=C\\C(N)/C(=N\\C=C/CN)C1CC1)B1OC(C)(C)C(C)(C)O1"]
["170617972","CC.Cc1[nH]nc(OCCN(C)Cc2c(-c3ccc4c(c3)c(/C=C/B3OC(C)(C)C(C)(C)O3)nn4PI)cnn2C)c1C"]
["198060741","CC1(C)OB(/C=C/CN=C(O)CCc2ccco2)OC1(C)C"]
["101734987","C=CCC(=C[Si](C)(C)C)CCCCCCCC.[Li+]"]
["175926673","Cc1cc(N2OC(C)(C)C(C)(C)O2)ccn1"]
["170807379","CC(O)=NCC(=Cc1cccc(Cl)c1)B1OC(C)(C)C(C)(C)O1"]
["158365491","CC1(C)OB(CC[C@@H](N)c2cncc(Br)c2)OC1(C)C"]
["54955483","CC1(C)OB(/C=C/c2ccc(O)nc2F)OC1(C)C"]
["96785799","C=C[C@H]1CC[C@@H](/C=C\\CB2OC(C)(C)C(C)(C)O2)[C@H]1OC"]
["171065302","CCNC1=C=CC(=[n+]2[n-]c(C)c3c2=CC(=NC2=C([O-])NC=CN2)N=C3)C(OC)=C1.[K+]"]
["92106154","CCNc1cc(C(O)=Nc2nnc(C)o2)cc(C(C)C)n1"]
["178123207","[B+]=C1C=C(OCC)C(=[O+]C)C=C1C1=CC(=C)C=CC(C2=CC3=C([O-])NCCN3[N-]2)=N1"]
["184309221","CCOCCN(Cc1cc(N=c2[nH]c(C)cn3c(-c4c[nH]c(C)c4)cnc23)sn1)CC(F)F"]
["34136647","COC1=CC(c2cccnc2Cl)=N/C1=C\\c1[nH]c(C)cc1C"]
["69690609","COc1cc(NCC2C=CC3=NC(=N)N=C(O)C3=C2C)cc(OC)c1OC"]
["83515415","CCOC(=O)c1ccc(NC(=O)C=C2NC(C)(C)Cc3cc(OC)c(OC)cc32)cc1"]
["113663572","CCNc1cc(=NC2CCC(O)CC2)[nH]c(C(F)(F)F)n1"]
["143020935","CCc1nnc(CNc2ccc(OC)c(F)c2)o1"]
["47317309","CCOC(=O)c1ccc(Sc2nnc(-c3ccccc3)o2)nc1"]
["131348696","COc1ccc(CN2CCC(CN=C(O)Nc3c(C)n[nH]c3C)CC2)cc1"]
["86088270","COC(=O)Cc1csc(=NC(C)c2nc(C)cs2)[nH]1"]
["67093061","C1CC2CCCC(C1)B2OC1CCCC1SB1C2CCCC1CCC2"]
["70649182","C#CCC(C)(OB1C2CCCC(CCC2)C1c1ccccc1)[Si](C)(C)C"]
["167441927","CC(/C=C(\\C(C)C)[Si](C)(C)C)B1C2CCCC1CCC2"]
["164219972","C=CSC1CCCC(CC)CC[C@@H]1N"]
["142613800","C#CCC(C)OC(=O)C1CCCC(C)C1"]
["112758088","CSC1CCCC1N1C(=O)CNC1C"]
["96824053","C=CC1B(OC(C)(C)C)[C@H]2CCC[C@@H]1CCC2"]
["55843787","CCOC(=O)CCCCB1C2CCCC1CCC2"]
["97729596","C[C@@H](B1C2CCCC1CCC2)c1ccccc1"]
["156441943","Br[C@@H]1CCC[C@@H]1OCC1CC1"]
["112760964","CSC1CCCCC1NS(=O)(=O)c1cc(C)c(Cl)c(N)c1"]
["91652404","ClC1=C(Cl)CC(B2C3CCCC2CCC3)CC1"]
["101173768","CC1c2cc3c(cc2C(C)C(C)C1C)C(B(B(Br)N(C)C1C=C[CH+][CH+]1)N(C)C)c1cc2c(cc1-3)C(C)C(C)C(C)C2C"]
["161489452","CC1C2C=CC=CC2C2c3cc(Br)ccc3N([Si](C)(C)C)C12"]
["51776309","CC1=C(N(C)C)c2cc3c(cc2C1=[Si-](C)(C)NC(C)(C)C)C(C)C(C)C(C)C3C.[Li+]"]
["33740","C#CCNC1CCc2ccc(OC(=S)N(C)CC)cc21"]
["119298670","CCOC(=O)N1CCc2cc(CN(C)C)c(OCC)cc2C1C"]
["187959098","Cc1cccc(N(C2=CC=CC(C)C2C)c2ccc3c(c2)C2(c4cc(N(c5cccc(C)c5)c5cccc(C)c5)ccc4-3)c3cc(N(c4cccc(C)c4)c4cccc(C)c4)ccc3-c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc32)c1"]
["180511756","CC1c2cc3c(cc2C2C=CC=CC12)NC1C=CC=CC31"]
["85239384","CC1c2cc3c(cc2C(Br)C1C)OCCCO3"]
["145184254","C#Sc1cc2c(cc1C=O)C(C(O)C(C)O)C=CC2"]
["139108277","CN(CC1CCCC1O)C(=O)c1cc(Cl)sc1Cl"]
["175712642","CC1c2cc3c(cc2C(C)C1C)-c1cc2c(cc1C3)C(C)(C)CCC2(C)C"]
["194456221","CC1C2C=CC=CC2C2c3cc(Br)ccc3N(C[Si](C)(C)C)C12.CC1C2C=CC=CC2C2c3cc(Br)ccc3N([Si](C)(C)C)C12.CC1C2C=CC=CC2C2c3cc(C(C)(C)C)ccc3N(C[Si](C)(C)C)C12"]
["99701668","CC(C)OC(=S)SSOC(SSC(=S)OC(C)C)(SSC(=S)OC(C)C)C(CO)(CO)C(O)SSC(=S)OC(C)C"]
["78333206","CCCCO[C@@H](C)[C@@H](O)CO"]
["193605435","CC(O)COC(C)CO.[Cl-]"]
["186657626","CC(C)OC(=O)CSC(=S)c1ccccc1"]
["79095367","CC(O)COC(C)C(C)OC(C)C"]
["172993218","Cc1ccc(-c2nc(-c3ccc(CCC(N)(CO)CO[P+](O)(OCC(N)(CO)CCc4ccc(-c5coc(-c6ccc(C)cc6)n5)cc4)OCC(N)(CO)CCc4ccc(-c5coc(-c6ccc(C)cc6)n5)cc4)cc3)co2)cc1"]
["26723437","CC(C)OC(=O)CCCCS"]
["113400777","CCCCCCCCC(CN)(CO)C(C)C"]
["85906699","CCCC(CCC)(COC(C)C(C)C)CS(=O)(=O)Cl"]
["194760796","OCC(CO)(CO)C(O)SS"]
["79850897","CCCCCCCCCCCCC(CCC)(CCCCCCCC)C(=O)N(CC)CC(O)CO.CCCCCCCCCCCCCCCCCCC(CCCCC)(CCCCCCCC)C(=O)N(CC(O)CO)C(C)CCC"]
["79589225","C=CC.CC(O)COC(C)CO"]
["101099462","[C-]1=C2C/C3=C4C(=C\\[C+]5/C(=C6/CC(=CC1)C2=C36)C1CC5C1)/C1CC/4C1"]
["MCULE-8537919225","Cc1nc(C2CCN(c3cc(Nc4ccccc4Cl)nc(-c4ccc(Cl)cc4)n3)CC2)nn1C"]
["MCULE-2985309337","Cc1cc(C)cc(Nc2cc(N3CCC(c4nc(C)n(C)n4)CC3)nc(-c3ccc(Cl)cc3)n2)c1"]
["MCULE-5919395344","Cc1nc(C2CCN(c3cc(Nc4cc(Cl)ccc4Cl)nc(-c4ccc(Cl)cc4)n3)CC2)nn1C"]
["82493543","CC1NNC2CC(N(C)c3ccnc(Nc4cc(S(=O)[O-])ccc4Cl)n3)CCC12"]
["MCULE-5546438227","Clc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)cc(N3CCOCC3)n2)cc1"]
["MCULE-3578609599","Cc1cc(Nc2cc(N3CCCC3)nc(-c3ccc(Cl)cc3)n2)ccc1Br"]
["178308291","CC1=[C-]CC=C2C1=C(C)CC[C-]2C.[U+2]"]
["MCULE-2586161619","CC(C)Oc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccc(Cl)cc3)n2)cc1"]
["MCULE-1495339445","CCc1ccccc1Nc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1"]
["MCULE-1165736713","CC1CCN(c2cc(Nc3cccc4c(O)cccc34)nc(-c3ccc(Cl)cc3)n2)CC1"]
["MCULE-9541858842","COc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccc(Cl)cc3)n2)cc1Cl"]
["195106433","[O-]N(O)C1CC(N([O-])O)C(NC2SNNN2CCCl)C(N([O-])O)C1"]
["144834791","CCN1CCCC1C1CNC(C)(C(=O)OC)C1"]
["80733931","CC1CC(C)CN(CCC2=[NH+]C(=O)C3C(=N2)SC2=C3CCCC2)C1"]
["196008583","[O-]N(O)c1ccc(C2CC2c2nc[nH]n2)cc1"]
["182662715","COc1ccc(COC2CNCC(C(C)C)N2c2ccc(Cl)cc2)cc1"]
["73883585","COC(=O)C1(CN(C(=O)C(F)(F)F)C2CC2c2ccccc2)CCNCC1"]
["162693766","CC1C(=O)N(CCCl)C(C)C1C"]
["189988360","COC(=O)Cc1cn(CCCl)c2ccccc12"]
["189019310","CC1NC=C(N=C(O)CCl)C=C1NC(=O)c1cnn2cc(-c3cnn(CCO)c3)sc12"]
["50941363","CCCN(C(=O)C1CCSC1)C1CC2CCC(C1)N2"]
["108705393","C[C@@H]1C[C@H](NC(O)=NCCC[C@@H]2CCCCO2)CN1C1CC1"]
["170655716","CC[Si](CC)(CC)OC[C@H]1[C@@H](N(Cc2ccc(OC)cc2)S(C)(=O)=O)C[C@@H](C)N1C(=O)OCCCl"]
["184790437","O=C(Oc1ccc(-c2ccc(OP(=O)(Oc3ccc(-c4ccc(OC(=O)c5cccc6ccccc56)cc4)cc3)c3ccccc3)cc2)cc1)c1ccc(S(=O)(=O)c2ccc(P(=O)(c3ccccc3)c3ccc(S(=O)(=O)C(=O)Oc4ccc(-c5ccc(OP(=O)(Oc6ccc(-c7ccc(C(OO)c8cccc9ccccc89)cc7)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1"]
["73803246","CC(O)=NS(=O)(=O)c1ccc(-c2ccc([C@H](N(CC#N)C(=O)[C@@H](N)CC(C)C)C(F)(F)F)cc2)cc1"]
["153889002","COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(O)=N[C@H](C)c1cccc2ccccc12"]
["149386852","CC(C)COC(=O)c1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1"]
["66834027","CCOc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1"]
["109215866","COc1cccc([C@H](CN=C(O)C[C@@H](NC(=N)O)c2ccc(Br)cc2)c2c[nH]c3ccccc23)c1OC"]
["124098047","COc1ccc(C(=O)C(C#N)C(O)=Nc2cccc3ccccc23)cc1OC"]
["17146200","O=C(Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1)c1ccc(Cl)cc1"]
["187488803","C[C@H](N=C(O)Nc1ccccc1)C(Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1)c1ccccc1"]
["69928766","CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN/C(=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc3)cc2)cc1"]
["125089755","CC(O)=Nc1ccc(NC(C)c2cccc3ccccc23)cc1"]
["11230435","COc1ccccc1N(CC(O)=Nc1cccc2ccccc12)S(=O)(=O)c1ccccc1"]
["100190621","O=C1C(Br)=CC(Br)=CC1=C[NH+]1C=C([OH2+])[N-]C1=O"]
["65569957","COC(=O)C(C=C1C=C(Br)C(=O)C(Br)=C1)=C1C=C(C)NN1"]
["108568242","Cn1c(=O)/c(=C/c2ccc(F)cc2F)s/c1=C(/C#N)C(=O)C(C)(C)C"]
["59269761","COc1ccc(CC(O)=NN/C=C2\\C=C(Br)C=C(I)C2=O)cc1OC"]
["52207356","Cc1cc(C)c(OCC(O)=NN/C=C2\\C=C(Br)C(O)=C(Br)C2=O)c(Br)c1"]
["164930009","O=C1C(Br)=CC(Br)=CC1=CNN=C(O)CCCCCO"]
["76873158","O=C1C(Br)=CC(Br)=C/C1=C/NNC(=O)c1ccncc1"]
["164982778","O=C(CCSc1n[nH]c(NNC=C2C=C(Br)C=C(Br)C2=O)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1"]
["61281506","Cc1cccc(OCC(O)=NN/C=C2/C=C(Br)C=C(I)C2=O)c1"]
["67975710","Cc1cccc(O)c1NC=C1C=C(Br)C=C(Br)C1=O"]
["48221289","Cc1ccc(NC=C2C=C(Br)C(=O)C(Br)=C2)cc1S(=O)(=O)N1CCOCC1"]
["167512361","O=C1C(F)=CC(Br)=C/C1=C/NNC(=O)c1ccc(Cl)cc1"]
["167366256","CCC1=C([C@H]2C(=O)c3c(c(=[N+]=N)c4c(O)c5c(=O)ccc(=O)c5c(O)c34)[C@@H](O)[C@]2(O)CC)C(=O)c2c(c(N=[NH2+])c3c(O)c4c(=O)ccc(=O)c=4c(=O)c2-3)[C@H]1O"]
["109142571","CC(O)=Nc1ccc(S(=O)(=O)N2CCN(c3nc(CC(C)C)nc4sc5c(c34)CC[C@H](C)C5)CC2)cc1"]
["136026320","CCc1ccccc1N1CC(C(=O)Oc2ccc(N=C(C)O)cc2)CC1=O"]
["47619219","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccc(Cl)cc1)C[C@@H]3OC1CC(N)C(O)C(C)O1"]
["32231134","CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)C(=O)c1cccc(O)c1C3=O"]
["195566488","C[C@@H](O)C1C2c3cc(O)c4c(c3N[C@H]1C#C/C=C\\C#C[C@H]2O)C(=O)c1cc(CN)ccc1C4=O"]
["185727349","CC(C)[C@H]1C(O)C(C(=N)O)C(=O)[C@]2(O)C(O)C3C(=O)c4c(ccc(-c5cccs5)c4O)[C@@H](C)[C@]3(C)[C@@H](O)[C@]12C"]
["32809661","C[C@H]1c2ccc(N=c3[nH]c(Br)cs3)c(O)c2C(=O)C2=C(O)C3C(=O)C(C(=N)O)=C(O)[C@@H](N(C)C)C3[C@@H](O)C21"]
["70411066","COc1cc2c(c(O)c1C)C(=O)C(O)C(O)(c1ccccc1)O2"]
["105297022","CCCNS(=O)(=O)c1ccc(N=C(O)c2cc(C)c(CC)s2)cc1"]
["194979923","CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)O"]
["194825010","COC1CC(=O)c2c(O)ccc3c2C1(O)C1c2c-3ccc(O)c2C(=O)CC1O"]
["171132547","C1CC2CCC(C3CCC4CCC3(C35CCCC(CC3)N5)N4)(C1)N2"]
["175846757","O[C@H]1CC2CCC1N2"]
["200209114","CN1CC2CCC(C3CCCO3)(C1)N2"]
["150192585","O=C(C1CCS(=O)(=O)N1)C12CCCC(CC1)N2"]
["43414707","N#Cc1ccc(C23CCCC(CC2)N3)c2ccccc12"]
["179501282","C[C@@]12CCCC(C3CC3)N1C2"]
["67642454","c1ccc(C23CCCC(CC2)N3)cc1"]
["34213127","C#C/C=C\\[C@@H]1[C@@H](O)CCC[C@]12CCC[C@@H](CC=C)N2.Cl"]
["173533218","O=C1CC=NC=C1C12CCCC1NC2"]
["162132425","OC1CCCCC12CCCCN2"]
["120326720","N=C(NC1CCCCC1)NC1(C(F)(F)F)CC1"]
["90525442","OC1CC2COC3CCCC23C1c1ccccc1"]
["189914238","C1=CC(=c2[nH]nnc2=C2CC=NN2)C=C1.C1=CC=[C-]C=1C1=N[N-]NC1=C1CC=NN1.[Fe+2]"]
["54442435","Cc1cc(C)c(-c2nc(=C3C=CNC=C3)c(=C3C=CC=CC3=O)[nH]2)c(C)c1"]
["176235196","CN[C@@H]1CCC[C@H](N=c2[nH]c(-c3c[nH]c4c(F)cc(Cl)cc34)ncc2F)C1.Cc1[nH]nnc1C=O"]
["197181982","CCOC(=O)c1[nH]nnc1-c1cnc(C)cn1"]
["151811724","COC1=c2ccoc2=C(OC)C(=O)C1=C1CC=NN1"]
["166988783","OC(=NCC1CC1)C1=CN2C(=NN/C2=C2\\C=CN=C2)C=C1"]
["99209283","Cc1ccc(C2=CC3=C=C4C=CC=CC4C3C=C2)nc1.Cc1ccc(C2=CC3=[C-]C4=C=CC=[C-]C4C3C=C2)nc1.[Zr+2]"]
["99444924","CC1=C(NCC(N)CC(C)C)N/C(=C2/C=CC=CC2=O)N=C1"]
["161893616","C1=CC(=C2[N-]N=C(Cc3nnc(-c4cccs4)o3)O2)C=C1.[Fe+2].c1cc[cH-]c1"]
["151890284","CC1=c2oc(=O)c3c(c2=CC(=C2CC=NN2)C1=O)CCCC3"]
["65018776","c1ccc(-c2csc3nc(C4CC4)nc(Sc4nnc(-c5cccnc5)n4C4CC4)c23)cc1"]
["76458828","CC1=CC(=O)C(=C2CCCC(C3CCCC(=C4C=CC=CC4=O)N3)N2)C=C1"]
["96808071","C[Si](C)(C)CC12c3c4c5[c-]6c3C3(C[Si](C)(C)C)c7c1c1c8c2c2c9c%10c(c%11c%12c%13c(c%14c%15c%16c(c3c3c7c7c1c1c%17c8c9c8c9c%10c%12c%10c%12c%13c%15c%13c%15c%16c3c3c7c1c1c(c%178)c(c9%10)c(c%12%13)c1c3%15)C%146C[Si](C)(C)C)C%115C[Si](C)(C)C)C42C[Si](C)(C)C"]
["101206490","c1ccc(CN2C34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C824)cc1"]
["48629773","CN(CC1CCCOC1)c1cc(C(=N)S)ccn1"]
["33617884","COC(=O)CN1N=NC23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%14c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c%13c9c%10c9c%10c%14c%11c%11c2c2c4c4c%12c5c6c5c4c4c2c%11c%10c2c9c%13c8c5c24)C713"]
["99161844","CCc1cnc(N2CC3COCC(C3)C2)nc1"]
["69965368","Brc1ccc(C[C@]23c4c5c6c7c8c9c%10c%11c(c2c2c%12c%13c3c3c4c4c6c6c%14c7c7c8c8c%10c%10c%15c%11c2c2c%11c%12c%12c%13c%13c3c3c4c6c4c6c3c%13c3c%12c%12c%11c%11c(c%152)c2c%10c8c8c7c7c%14c4c4c6c3c%12c3c%11c2c8c7c43)[C@@]59Cc2ccc(Br)cc2)cc1"]
["46306296","Cc1ccoc1C(N)Cc1cccc(Br)c1"]
["74608763","C[CH]Cc1ccon1"]
["32709083","CC(C)(C)[Si](C)(C)OC[C@]12O[C@](CO[Si](C)(C)C(C)(C)C)(c3ccccc31)C13c4c5c6c7c8c9c(c%10c%11c1c1c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c1c1c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c1c1c4c4c%12c5c6c5c8c9c%10c1c45)C732"]
["33042955","CCOC(=O)C1=CC(=O)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C173"]
["69963906","Brc1ccc(C[C@@]23c4c5c6c7c4c4c8c2c2c9c3c3c%10c%11c(c%12c6c6c%13c7c7c4c4c8c8c2c2c%14c9c%10c9c%10c%11c%11c%12c%12c6c6c%13c%13c7c7c4c4c8c2c2c(c9%14)c8c%10c9c%11c%12c%10c6c6c%13c7c7c4c2c2c8c9c%10c6c72)[C@]53Cc2ccc(Br)cc2)cc1"]
["88330685","CC(C)(N)c1noc(COCc2cccc(Br)c2)n1"]
["190977129","C=CC(CC(CC/C=C\\CCc1c(Cl)nnc(Cl)c1COC)C1=C(Cl)NN=C(O)C1)OC1=NCC(Cl)=C(O[Si](C)(C)C[Si](C)(C)OC)C1"]
["77906855","C=CCC(CCC(C)=CC=CCCC=CC1CSC(C2CC2C)=N1)OCOC"]
["175254758","CCc1ccc(Oc2[nH]c(=O)c(Cl)c(C#N)c2Cl)cc1C1=C(O)C(C)(C)OC(C)(CCCc2ccc(Oc3cc(C)c(Cl)nn3)cc2C2=C(O)C(C)(C)OC(C)(CCCc3ccc(Oc4ccc(C)nn4)cc3C3=C(O)C(C)(C)OC(C)(C)C3=O)C2=O)C1=O"]
["27898198","COC(=O)CCC/C=C/CC1=C(C=CC[C@H](O)C2(Cc3ccc(Cl)s3)CCC2)[C@H](O)CC1"]
["116846830","COCC(O)CCN=C(O)c1cnn(C(C)C)c1C1CC1"]
["175405950","C=C.CC(CCO)CCO.CN=C(C)/C(OC)=C1/CO[C@@H](C2=CC=C(CCCl)CC=C2)C1"]
["177109369","COCC1CCC(C2NOC(CCC(O)=NCCCNC3NN=C(O)C4CCCCC34)N2)CC1"]
["34383101","COc1ccnc(C)c1CC/C=C/CCc1nccc(OC)c1CC/C=C/CO[Si](C)(C)C(C)(C)C"]
["123139296","COCc1nnc(-c2cccc(C(=O)N=c3cc(C)o[nH]3)c2)o1"]
["83871270","C=CCn1c(COc2ccc(F)cc2)nnc1SC(C)C(=O)N=c1cc(C)o[nH]1"]
["MCULE-5940898851","CCCc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccc(F)cc1)C(C(O)=NCCOC)=C(N)O2"]
["174607534","C=C/C(=C\\C=C/C)COc1ccc2c(c1)CC(O)=NC2"]
["184529265","CC1=C(c2cc(P)c(P)c3c(P)c(P)c(P)cc23)I=C(P)C(P)=C1P"]
["172422676","CCc1[nH]n2c(=O)cc(C3CC(N)C3)nc2c1C"]
["180761855","CNc1ccc2ccc3c(c2c1)CSC(c1cc(C)c(I)cc1I)N3"]
["104818424","Cc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1C"]
["162624099","Cc1cc2c(C#N)ccc(C#N)c2s1"]
["81759057","Cc1ccc(C#N)cc1N1C(=O)C2SC=CC2=NC1=S"]
["173275918","CCNc1cc(OC=O)cc(P)c1C"]
["104818345","C[C@@H](Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Br)s1"]
["112807950","Cc1cc(=NCc2ncc(C)s2)cc[nH]1"]
["174639616","Cc1ccnc(C#C[C@H]2CC[C@H]3CN(C4=C(C#N)N=CC=C=C4)CCN32)c1"]
["178605590","C/C=C\\C1=C(C)c2c(P)cccc2C(N)N1"]
["51217901","CC1=C2c3cc(C)c4c(c3CC23CCC(C3)C1=O)NNN4"]
["78650062","CC[Si]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[Si]1=[Si](C#[Si]CC)C1C"]
["170886262","CCCOc1c(CC#N)cc(C#N)cc1OC"]
["151016758","CCO[C@@H](C#N)[C@@H]1CCOC1"]
["185489435","CCC1(C#N)CC(C)CCC1C(C)C"]
["162142653","CCC1(CC)NC(C#N)(CC)C(C)S1"]
["167133927","CCNC/C=C(/C)CO"]
["86014543","CCN(CC)C(=O)C1(C#N)CC(C)C1"]
["157851815","CCN(C)C(=O)N1[C@H](C)CC[C@@H]1C"]
["114311582","CCCn1cc(Br)cc1C(=O)NCC1CCCC1C"]
["167398352","CC#C[C@@H](C)[C@H]1OC(=O)[C@@H](OC(C)OCC)[C@@H]1C"]
["CSSS20621728846","CC(C#N)CN(CC1C2CCC(F)(F)C21)C(=O)c1cncc(C2CCC2)n1"]
["108423682","C[C@@H]1OC2=C(CCCC2)C(C#N)(C#N)[C@@]1(C#N)C(=N)O"]
["74561499","CON=CC=CC1C(OC=O)C1(C)C"]
["52304329","COc1cc(N=C(O)C2C(C=C(C)C)C2(C)C)c(C(=N)O)cc1OC"]
["115014607","COCC1(C(O)=NC2CCCC2(C)C(=O)O)CCNCC1"]
["193745490","C=C[C@@H]1C[C@]1(CC(=O)[C@H]1N(C(=O)[C@@H](NC)C(C)(C)C)C[C@H](OC)C1(C)C)C(O)=NS(C)(=O)=O"]
["157666689","CO[C@@H]1[C@H](C)[C@@H](NC(O)=Nc2cccn(C)c2=O)C1(C)C"]
["177151747","C=CCC1=C(C)C(OC(=O)[C@H]2[C@H](C=C(F)F)C2(C)C)CC1=C"]
["79781963","Cl.[2H]COC=O"]
["173421187","C=S1[C@@H]2C(=CC(=O)C(=NOC)C(=O)OCC)C(=O)N2[C@@H](C(=O)O)C1(C)C"]
["90165939","COC1(C(F)(F)F)CCCCC1CC(=O)O"]
["174827121","CC1(C)C(O)CC1N=c1[nH]c(S(C)(=O)=O)ncc1C(F)(F)F"]
["34442103","CO/N=C/c1coc2ccccc2c1=O"]
["74082855","CC1(C)[C@H](C(=O)O)[C@@H]1C=CC(=O)OC(C(F)(F)F)C(F)(F)F"]
["100854552","c1cc2ccc3c(c2)cc2cc(ccc2=3)ccc2ccc3c(cc4cc1[CH-][CH-]C=34)c2"]
["173303401","CC[NH+]=c1cc2oc3cc(P(C)C)ccc3cc-2cc1C"]
["178979314","c1ccc2c(c1)c1cccnc1c1nc(-c3ccc4c(c3)=c3ccc5c6c(ccc=4c36)=c3cc(-c4ccc6c7ccccc7c7cccnc7c6n4)ccc3=5)ccc21"]
["162137316","CCC(N)c1cc2cccc(C)c2[nH]1"]
["MCULE-6800801617","Cc1ccc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)cc2C)c(C)c1"]
["197683845","F[B-](F)(F)c1ccc2sncc2c1.[K+]"]
["25167470","Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3O)n2)c(C)c1"]
["108785903","Cc1ccc(-n2c(S[C@H]3CCN(C)C3=O)nc3sc4c(c3c2=O)CCC4)c(C)c1"]
["9166619","Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C)cc2C)cc1"]
["6736677","Cc1ccc(-c2noc(-c3ccc(C)cc3C)n2)cc1"]
["64713504","C/N=c1\\ccc2cc3ccc([NH2+]C)cc3oc-2c1"]
["163969160","Cc1cccc2cc(-c3cccc(Cl)c3)[nH]c12"]
["174020287","[B+]C1([B+])C([C@@H](C[C-]=[N-])N2C=C(c3[n-][cH-][n-][c-]4c3ccn4C[O-])C[N-]2)C([B+])([B+])C([B+])([B+])C1([B+])[B+]"]
["186049219","CC#N.[B+]C1([B+])C(CN2[C-]=C(c3[n-][cH-][n-][c-]4c3[CH-]CN4C[O-])C[N-]2)C([B+])([B+])C([B+])([B+])C1([B+])[B+]"]
["108298726","COC[C@]12COC[C@H]1CN(Cc1ccccc1OC)C2"]
["183763172","[N-]=[N+]=NC1=CCC(F)([C@H]2CCCC[C@@H]2C(O)=N[C@H](C(=N)O)c2ccccc2)C=C1"]
["13209075","Cc1ccc(C)c([C@@H](C)N=C(O)CN2C(O)=N[C@]3(CC[C@@H](C)CC3)C2=O)c1"]
["9080739","O=C1C[C@H]([NH2+]CC2CC2)CN1Cc1ccccc1Cl"]
["151696819","COC[C@@]12COC[C@@H]1CN(Cc1ccccc1OC)C2"]
["137618752","O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2Cl)CC1"]
["127428916","CCN(C)CC1CCN(Cc2ccccc2Cl)C1"]
["186790203","Cc1cncn1C(C)C(O)=NCc1cccnc1C1CCCN(C)CC1"]
["177745236","COC[C@@]12CCNC[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2.Cl"]
["5178785","CC1(C)CC([NH+]=C(O)CCc2ccccc2OC(F)(F)F)CC(C)(C)N1"]
["100852041","[BH2-]1n2cc[n+](c2)[BH2-][N+]2=C[CH+][N+](=C2)[BH2-][N+]2=C[N+](=C[CH+]2)[BH2-][n+]2ccn1c2"]
["102972062","CC(C)(C)N1C=CN([B-](n2cc[n+](C(C)(C)C)c2)=[N+]2[C-]=CN(C(C)(C)C)C2)C1"]
["101291460","CC(C)(C)N1C=[C-]N([BH2-]n2cc[n+](C(C)(C)C)c2)C1"]
["197809559","CC[n+]1ccn(C(C(C)(C)C)C(C)(C)C(C)(C)C(C(C)C)N2CCCC2=O)c1.CO"]
["175107043","C[n+]1ccn([N+](C#N)(C#N)C2(C)CC2)c1"]
["97496979","C[C@H](C1CCCCC1)n1cc[n+]([C@H](C)C2CCCCC2)c1"]
["189795138","Sn1cc[n+](S)c1"]
["101118377","C[n+]1ccn(C2=CC=CC2)c1"]
["192248649","c1c[n+](C2CO2)cn1C1CO1"]
["121933170","CC1CCC(C)N(S(=O)(=O)c2cc(F)c(F)cc2F)C1"]
["96876655","C[B-]1(C)n2cc[n+](c2)[B-](C)(C)[N+]2=C[CH+][N+](=C2)[B-](C)(C)[N+]2=C[N+](=C[CH+]2)[B-](C)(C)[n+]2ccn1c2"]
["32208355","F[B-](F)(F)F.c1c[n+](C2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)cn1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2"]
["172597428","[B+]C1([B+])C(=[C-]C)c2c([CH-][CH2-])cc(=C/C)/c(=C\\[CH-]C)c2C1([B+])[B+]"]
["174537219","[B+]C1([B+])[C-]=Cc2c(c(=C/C)/c(=C\\CC)[c-]3c2cc2ccccc23)O1"]
["61560411","Cc1ccc(CC=NNC(=N)N)cc1C.Cl"]
["78494491","C/C=c1\\ccc(C)c\\c1=C\\N(C)C"]
["79520364","C/C=C1/N(C)c2ccc(C)c(C)c2C1(C)C"]
["172758788","CC=CCCc1ccc(Cl)c(F)c1"]
["172597404","[B+]C1([B+])C([CH-][CH2-])=C(/C=C\\C)c2ccc(=CC)c(=C=CC)c21"]
["176168446","C/C=C\\C=c1\\cccc(C(C)(C)CN)\\c1=C\\C"]
["174428229","C/C=c1/c(C)ccc(C)/c1=C/C"]
["175720446","[B+]=C1C(=[B+])C(=[B+])[C-]([C-]([CH2-])c2ccc(Cl)cc2[CH-][CH2-])C(=[B+])C1=[B+]"]
["169949795","C/C=c1/cc(Br)cc/c1=C(\\Br)CC"]
["175253471","[B+]C1([B+])c2cc(Cl)cc([CH-][O-])c2OC1(C)C"]
["91264782","N1=NC2=Nc3n[nH]c(n3)N=C3N=NC(=N3)NC3=NC(=NC1=N2)N=N3"]
["MCULE-1361837898","Fc1ccc(-c2c(I)n[nH]c2C(F)(F)F)cc1C(F)(F)F"]
["131215525","Cc1nc(SCc2coc(-c3ccc(Br)cc3)n2)n[nH]1"]
["183006476","N#CC1=C(C(F)(F)F)CC(c2cc[nH]n2)(c2c(Cl)cc(C(F)(F)F)cc2Cl)C=C1Cl"]
["149102238","FC(F)c1cc(C(F)OC(F)(F)F)n[nH]1"]
["131775443","OC(Cc1cc[nH]n1)=NN=C(O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1"]
["MCULE-2039020598","Fc1cc(-c2c(Cl)n[nH]c2C(F)F)cc(C(F)(F)F)c1"]
["24944204","COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1C"]
["197817559","Cc1cccc(-c2nn(PI)cc2-c2ccc3c(Br)n[nH]c3c2)n1"]
["120778149","CNc1c(-c2ccc3c(c2)CCC(=O)N3)n[nH]c1C"]
["48802628","CC(C)(Cl)c1cc(-c2ccco2)[nH]n1"]
["62641306","COc1n[nH]c(-c2ccccc2)c1C"]
["169948159","N=C(N/C=C/C(=O)N1CCCCC1)NC(=N)NN1CCCC1"]
["6014930","C[C@@H](CO)NC(=O)C(O)=Nc1ccc(S(=O)(=O)N2CCCCC2)cc1"]
["159564431","O=C(O)/C=C/C(=O)N1CCCC(N=C(O)c2ccccc2)C1"]
["15472743","O=C(CN=C(O)CNC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1"]
["94029232","Cc1cc(C(=O)O)ccc1NC(C)C(=O)N1CCCCC1"]
["149536111","O=C(/C=C/C(=O)OCCOC(=O)N1CCOCC1)OCCOC(=O)N1CCCCC1"]
["117835225","CCOc1ccc(C2(CNC(=N)N3CCCCC3)CCOCC2)cc1"]
["107762257","O=C(O)[C@@H]1CCOC[C@@H]1N1CCCCC1"]
["116090353","CC(C)(C)c1ccc(N=c2cc[nH]c(C(=O)N3CCCCC3)c2)cc1"]
["12253215","[NH3+]C[C@@H]1Cc2cc(-c3ccc(C(=O)N4CCCCC4)o3)cc(F)c2O1"]
["76356717","Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(c2nc(-c3ccc(Br)cc3)c(C)s2)CC1"]
["MCULE-8938130500","COc1cc(C(=O)N2CCC(C(=O)N3CCCCC3)C2)cc(OC)c1OC"]
["44152233","S=S1SCC2=C1C1=C(C3CSS(=S)C23)S(=S)SC1"]
["153403227","Cc1cc(C)c(N2C(=S)CS[C@@H]2c2c(F)cccc2F)[nH]1"]
["171193869","Cl.Fc1c(Cl)cccc1[C@H]1CNCCN1"]
["31026593","CCOC(=O)CC1Oc2c(F)cccc2N(Cc2nc3cc(F)c(F)c(F)c3s2)C1=O"]
["166853270","C/C1=C/c2c(C)cccc2NCOC1"]
["199109316","Cc1ccc2c(N[C@H]3CC[C@@H]3O)cccc2n1"]
["CSSS06834056029","Cc1c(Br)cccc1NCC1COC2(COC2)C1"]
["155260146","OC1=N[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CSC1"]
["178518708","Cc1cc(Cl)c(F)cc1C1CNC[C@@H]1c1cccc(Cl)c1F"]
["102277893","O=C1/C(=N/Nc2cccc(Cl)c2Cl)c2cccc(F)c2N1C1CSC1"]
["58519334","Cc1cccc([NH+]=c2[nH]n(CN3CCC(O)CC3)c(=S)s2)c1C"]
["57876056","Cc1cccc(F)c1[C@H]1COCCN1"]
["150348480","CCP(CP(CCPCP(C)P)P(P)P)PP.CC[PH+](CP(CC[PH2+]CP(C)[PH3+])P([PH3+])[PH3+])P[PH3+]"]
["78334891","CCPCP(P)CP(CP(C)P(P)P)PP"]
["193980738","C.C.CCP(CP(C)P(P)P)PP"]
["77031398","CCC[N+]1=NC(=O)c2nccc(P(P)PP)c2C1=O"]
["150321545","CCCP(CCPCP(C)[PH3+])P[PH3+]"]
["61455400","CCPCP(P)CCP(CP(C)P(P)P)PP"]
["78397108","CCCP(CCPCP(C)P)PP"]
["47752429","CCPCP(C)P"]
["78334892","CC(C)PCP(P)CP(CP(C)P(P)P)PP"]
["191753239","CCP(CP(CCPCP(C)P)P(P)P)PP.CCPCP(P)CCP(CP(C)P(P)P)PP"]
["78827927","CCCP(CP(CCPCP(C)P)P(P)P)PP"]
["78699358","CCP(CPP)PP"]
["180852828","c1cn2c([o+]1)-c1conc1C1PC12"]
["89123339","O=C(O)c1conc1N1CCCC1"]
["CSSS06595058831","CC(C)CN=C(O)c1conc1C1CCN(C2CC2)CC1"]
["2180304","CCn1ccc(C)c2cc[o+]c1-2"]
["179479028","C[C@H]1Oc2ccccc2-c2[o+]ccn21"]
["65798524","Oc1nocc1I"]
["176741481","CCCCCC#Cc1conc1-c1ccc(CCCCCC#C[Si](C)(C)C)nc1"]
["174607478","COn1[o+]nc(C(=O)c2nocc2C)c1C(=O)/C=N/OC=C(C)C"]
["85009021","Cc1ncc(CNCc2ccon2)s1"]
["59598671","Cc1nocc1C1CC1(Cl)Cl"]
["108581316","CCc1nocc1[C@H]1CCN(C)C[C@@H]1N"]
["CSSS06595058886","CCN=C(O)c1conc1C1CCN(CC2CCCC2)CC1"]
["180892294","C(#CC12CC3SC(C1)SC(C2)S3)C1CCC(C#CC23CC4SC5SC(C2)C5(C3)S4)CC1"]
["338015","OC1=Nc2c(F)ccc(F)c2C(C#CC2CC2)(C(F)(F)F)O1"]
["179109250","CC1CCC(C2CCC(C#CC3(C)CCC3)C2)C1"]
["167302947","C=CCN([C@@H]1CCCC[C@H]1O)C1(C#CC2CC2)COC1"]
["91419574","C[Si](C)(C)C12SC3CC(SC(C3)S1)S2"]
["66512264","CCCCOC1CC1(Cl)C#CC1CC1"]
["34193504","C#C[C@]12C[C@@H]3S[C@H](C1)S[C@H](C2)S3"]
["25640318","OC1=Nc2c(O)cc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)O1"]
["179598184","Cc1ccc(Cl)cc1[C@](C#CC1CC1)(OC(C)O)C(F)(F)F"]
["83300987","OC1=Nc2ccc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)C1NCc1ccccc1"]
["153127288","CC(C)[C@]1(C#CC2CC2)NS(=O)(=O)Nc2ccc(Cl)cc21"]
["81789153","OC1=N[13c]2[13cH][13cH][13c](Cl)[13cH][13c]2C(C#CC2CC2)(C(F)(F)F)O1"]
["173783381","[B+]=C1C(=[B-]2OC(C)(C)C(C)(C)O2)C(=[B+])[C-](O)C2=C1C(C)(C)C(C)(C)C2(C)C"]
["44495220","CC=C=[B-]1OC(C)(C)C(C)(C)O1.[CH3-].[Zn+2]"]
["173619587","[B]=C1C(=O)C(=[B+])[C-]1O"]
["99840400","[B+]=c1cc2c(C3(C)OCCO3)c(CCCCCC)c3cc(=[B-]4OC(C)(C)C(C)(C)O4)sc3c2s1"]
["175058607","[B+]=C1C(O)=C(O)C(=[B+])[C-](O)[C-]1C"]
["173932416","[B+]=C1C(=[B+])C(O)=C([C-]=[CH-])[C-](O)C1=[B+]"]
["168568764","CC(C)(C)O[B-]1OC(C)(C)C(C)(C)O1"]
["180561195","CC=N/C(=C\\C)[B-]1=IC(C)(C)C(C)(C)O1"]
["196828293","[B+]=C1CC(C#N)CC(C)C1=[B-]1OC(C)(C)C(C)(C)O1"]
["176337502","CC.[B+]=C1C(=[B+])[C-]2OCC[C-]2[C-](C2CC2)C1=[B+].[B]C([B])(C)C(O)=NC"]
["173865157","[B+]C1(C)O[B-](=BOC(C)(C)C(C)(C)O)OC1(C)C"]
["174772881","Cc1ccccc1.[B+]=C1C(O)=C(O)C(C)=C(O)[C-]1O"]
["196000312","C=CC(C)(CC)[NH+]([O-])c1ccc(-c2ccc([NH+]([O-])Oc3ccc([N+](C)(NC)c4ccc(OC(C)(CC)CC)c(N=C)c4)cc3NC)cc2)cc1"]
["131252794","CCC(C)(C)N=C(O)C(C)SCc1ccc(OC)c(F)c1"]
["MCULE-4658090572","CCC(C)(N=C(O)C=Cc1ccc(OC)c(OC)c1)C(O)=NCc1ccc(C(=O)OC(C)C)cc1"]
["176331224","CCC=C1C=C[C-](C(N)=NCCC2([C-]=Cc3ccc(-c4ccc(C5CCN5)cc4)cc3)CCC(C#Cc3nc4ccc(CCC)cc4s3)(N=C(N)c3ccc(NCCCCCCNCC(C)(C)CC)cc3)CC2)C=C1.[U+2]"]
["179588819","C=C[C@@H]1C[C@]1(N=C(O)[C@@H]1C[C@@](OC)(c2ccc(-c3ccccc3)cc2)CN1C(=O)[C@H](CC(C)C)N=C(O)NC(C)(C)C)C(O)=NS(=O)(=O)C1CC1"]
["118719034","CCC(CNC(=NC)NCc1ccc(OC)c(OC)c1)Oc1ccccc1F.I"]
["26450727","CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(O)=Nc1cc(Cl)c(N=C(O)C(F)(F)C(F)(F)F)c(N)c1O"]
["184181913","C=CC(F)(F)C(F)(c1cc([ClH+])c(NC)c(OC(F)I)c1)C(F)(I)I"]
["27459702","N[C@@H](CN=c1cc(-c2ccc(OC(F)(F)F)c(F)c2)nc[nH]1)c1ccccc1"]
["25652089","CN=C(S)NS(=O)(=O)c1cc(CCN=C(O)c2cc(C(C)(C)C)ccc2OC)ccc1C(C)C"]
["132666223","C=CCN1CCC(N=C(O)Nc2cc(OC)ccc2OC)CC1"]
["133413485","COc1ccc(C(C)Nc2cccc(F)c2C)cc1N=C(C)O"]
["97236650","C[Si]1(C)C[Si-](C)(C)=C2C3=C1C1C4C3=C([Si](C)(C)C[Si]2(C)C)[Si](C)(C)C[Si](C)(C)C4=[Si-](C)(C)C[Si-]1(C)C"]
["108887483","CC[C@@H](C)c1ccc([C@@H](CCO)C2CCNCC2)cc1"]
["195996520","CC(C)C1[N-]C([O-])N(C)[C-]=C1CC([NH3+])=IC[I+]N"]
["108887485","CC[C@@H](C)c1ccc([C@H](CCO)C2CCNCC2)cc1"]
["60348907","CC1(C)CC(=O)C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(O)c2)C1"]
["77475913","CC1(C)CC(=O)C2C(=NC3=C(C(=O)CC(C)(C)C3)C2C(=N)O)C1"]
["108887484","CC[C@H](C)c1ccc([C@@H](CCO)C2CCNCC2)cc1"]
["114427943","CC1CCC(C)N(c2ccc(C(=N)S)c(Br)c2F)C1"]
["184968040","OC1(C2=C=C=c3oc#cc3=C2)CCOCC1"]
["182342426","CC1(C)C=C(C(=O)[O-])CC(C)(C)C1(C(=O)[O-])C1CCNCC1"]
["170545725","CC(C)(C)C1=CC(C2=C3C(=CC(c4ccc(CC(C)(C)C(F)(F)F)cc4)[Si]3(C)C)C=C[N-]2)=[C+]c2ccccc21.CCC(CC)C(=O)[C-]=C(O)C(CC)CC.[Ir]"]
["97827131","C[Si]1(C)C[Si](C)(C)C2=C3[C]1[Si](C)(C)C[Si-](C)(C)=C3C1C2[Si](C)(C)C[Si]1(C)C"]
["178800773","[CH2-][CH-]C1CCCC2CCC34CCC[I+]C3C3CCCCC3C124"]
["90160837","COC1CCCCC1C1(N)CC1"]
["148104126","Cl.O=C(c1ccco1)N1CCC(N=C(O)[C@@]23CCCC[C@H]2CNC3)CC1"]
["43036211","C1CCC2C(C1)CCC2C1(C2CCCC2)CCC1"]
["58745100","O=C1C[C@]23CCCC[C@H]2C[C@H]1[C@H](O)C3"]
["153760868","CO[C@@H]1O[C@]2(c3ccc(COC(C)=O)cc3)CC[C@H]3CCCC[C@]31OO2"]
["148132021","O=C(N1CCSC2CCCCC21)[C@@]12CCCC[C@H]1CNC2"]
["180360915","C1CCC(C23CC(C2)C2CCC[C@H]23)C1"]
["175315923","N[Si](C1CCCCC1)(C1CCCCC1)C1(C2CCCCC2)CCCCC1C1CCCCC1.[SiH4]"]
["86628041","OC12CCCCC1CN(C1CCNC1)CC2"]
["142866218","CC(CCCO)NC1[C@@H]2CCCC[C@@H]2C1(C)C"]
["178884460","CCC1CCCCC1C1(C2CNc3c(O)nc(=N)[nH]c32)CC1"]
["189920081","C=C(N)C1=CC(=c2ncc(=C3C=C=NN3CN)[n-]2)C2C=NNC2=C1.[Na+]"]
["175774955","C=N/C=C(\\C=N/CN1CCC(F)CC1)Oc1ccc(/C=C/[C@H](C)NC)cn1"]
["57726044","CC(C(=N)O)n1ccnc1CN"]
["120559436","CC(CN)c1cnc(CC2CCN(C)CC2)o1"]
["82011959","Cc1ncc(I)c(=O)n1CC=CCN"]
["MCULE-6501822529","CC(C)c1c(CN)cnn1-c1ccnc(Cl)c1O"]
["177840124","Cc1[nH]c(=NCc2cnn(C(C)c3ccc(F)cc3)c2)nc2c1N=C(O)[C@H](CO)N2C"]
["166829326","CCC[C@H](N=c1nc2c(ncn2C(C)C)c(NCC2=C(C)C=C(C)NC2C)[nH]1)[C@@H](C)O"]
["112722092","CSC1(CNC(=O)c2nc(C(C)C)ncc2N)CC1"]
["70282563","CC(c1cccnc1)N1CCN(C(=O)C2=NC(=O)C3C=CC=CC3=C2)CC1"]
["58807305","CC(C)c1ncc(N)c(C(=O)NC2CCC(O)=NC2=O)n1"]
["162427009","CC(C)c1ncn(C(C)C(=N)N)n1"]
["178272538","[N-]=C=C1C=CSC1=IC1=CC(=I[N+]#Cc2cc(I)cs2)C(=C=[N-])S1"]
["162690101","Cc1csc2cc(F)c(C#N)cc12"]
["162664403","COc1csc2c(F)cc(I)cc12"]
["74221894","Clc1cc(I)cs1"]
["195879557","CC(C)(C)C1=CC(=IN([O-])O)C=CC1=C=[N-]"]
["162730810","N#Cc1csc2c(F)cc(I)cc12"]
["181050213","CC(O)=NNc1c(NN)csc1N=[N+]=[N-]"]
["86501896","CCNc1nc(C2CC2)nc(Sc2nc(C)cs2)c1C"]
["46662066","Cc1cc(I)ccc1-n1c(C)ccc1C"]
["178306809","COC1=CC(C(=O)N(C)C)=CNC1=c1cc2c(o1)=C(C1=CC(=C=[N-])C(=IC3CC[Cl+]CC3)C=C1)C(C)=C[N-]2"]
["74896648","O=C(Cl)c1cc(I)cs1"]
["MCULE-8201458759","Ic1csc(C2CCSCC2)c1"]
["91046712","C1#CCOc2ccc(cc2)C2=c3ccc(cc3)=[O+]CC#CC#CC[O+]=c3ccc(cc3)=C(c3ccc(cc3)OCC#C1)c1ccc(cc1)OCC#CC#CCOc1ccc2cc1"]
["189796102","c1ccc(C2=c3ccc4n3[N+]35n6c2ccc6C(c2ccccc2)=c2ccc(n23)=C(c2ccccc2)c2ccc(n25)C=4c2ccccc2)cc1"]
["MCULE-6807727169","Cn1nccc1-c1ccc(CN=C(O)COC2CCCCC2)cc1"]
["84164417","CCN(CC)C1COC(c2ccccc2)=N1"]
["90723068","O=C1OCC#CC=CC#CCO1"]
["70111470","COC(=O)C1CCCC(c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)=N1"]
["46864276","CC1=C(c2ccccc2)C(=O)N(C(C)(C)C)CO1"]
["83027777","O=C(O)C1Cc2ccc(cc2)OCC(O)=NC(Cc2cccs2)C(O)=NC(Cc2ccc(-c3ccccc3)cc2)C(O)=NC(Cc2cccs2)C(O)=N1"]
["63168583","c1cc2ccc1OCCOCCOCCOCCOc1ccc(cc1)-c1ccc-2cc1"]
["167257416","[CH]1C=CC=C1.[Fe].c1ccc([C]2P=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1"]
["33888072","c1cc2cc(c1)-c1ccc(cc1)COc1ccc(cc1)CSCc1ccccc1CSCc1ccc(cc1)OCc1ccc-2cc1"]
["177454530","C[C](C)[C@H]1COC(c2ccccc2)=N1"]
["184255464","CNC1=C[CH-][CH]C=C1[N+]1=[Si](C)C(C)=C(C)C2=CCC=C[C-]21.[Rh+2]"]
["96940208","[Li+].[Li+].[O-]C1C2(C=C2)C2=C[CH-][CH]C=C2C12CC2"]
["91383889","CC1=NC2C=NC=NC2=NC1"]
["200263922","C=CC1=CCC=CC=C1NC"]
["198396000","CNC(C)C1=CCC=NC(=N)N1"]
["173446761","CC1=CC=C(NC(=O)C2=CC(N)=CCC=C2)CC=C1"]
["51088426","CC1=C2OCCC=C2[C-](N)C=C1.[CH3-].[Y]"]
["164321213","Cc1nc(C(C)Nc2ncnc3c(C)csc23)n[nH]1"]
["42790759","CC1=CN(C)C=C2C=CCC=C12"]
["180697582","[B+]COC1C=C(NC)C(N([O])CC)=CC1"]
["67188016","CC(=O)C1/C=C/C(C)C(C)/C=C\\C/C=C\\1C"]
["166750005","CNC1=CCN(C)C1=O"]
["172311902","Fc1ccc2c(c1F)-c1c(F)c(F)c(F)c(OB(Oc3c(F)c(F)c4c(F)c(F)c5c(F)c(F)c(F)c6c(F)c(F)c3c4c56)c3c(F)c(F)c(F)c4c(F)c(F)ccc34)c1C2"]
["168538342","N=c1cc(-c2c(O)ccc(F)c2F)o[nH]1"]
["182882923","[N-]=[N+]=Nc1c(F)c(F)c(F)c2c1Cc1ccc(O)c(F)c1-2"]
["MCULE-4863661758","CCS(=O)(=O)N1CCN(C(=O)c2cc(C)c(-c3c(F)ccc(F)c3F)cc2F)CC1"]
["129964008","COc1c(F)cc(NC(=O)C(=O)N2CCc3c(Cl)cccc3C2)cc1F"]
["MCULE-9370527139","COc1ncc(N=C(O)C2CCC(C)CC2)cc1-c1c(F)ccc(F)c1F"]
["MCULE-8391887828","CCCOc1cccc(-c2c(N=C(O)Cc3cccc(F)c3)ccc(F)c2F)c1"]
["185654188","OB(O)Oc1c(F)c(F)c(F)c2c1Cc1cccc(F)c1-2"]
["MCULE-2405023367","COc1ccc(F)c(F)c1-c1ccc2c(c1)CCN(C(=O)CCC(C)=O)C2"]
["MCULE-3751164611","COc1cc(F)c(-c2c(N=C(O)Cc3noc4ccccc34)ccc(F)c2F)c(F)c1"]
["172302194","Fc1cc(F)c(F)c(-c2ccccc2OB(Oc2c(F)c(F)c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c23)c2c(F)c(F)c(F)c3c2C(F)(F)c2c(F)c(F)c(F)c(F)c2-3)c1"]
["78774062","COC1CCc2ccc(F)c(F)c2C1"]
["180961217","CC(C)(COC(=N)C1[CH-]C2OC2[CH-]C1)COC(=N)C1[CH-]C2C[C-](C1)O2.[U+2].[U+2]"]
["104873983","CC(C)(COC(=O)[C@H]1CCCC[C@@H]1C(=O)O)COC(=O)C1(C(=O)O)CCCCC1"]
["179489314","[CH-]=C(C)C(=O)OC1CC2OC1CC2(C)[C-]=O.[U+2]"]
["173977949","[B]CC(C)(C)COCC(C)(C)CC(=N)O"]
["138531781","C#CCC(C)(C)COC(=O)c1csc(C(C)C)n1"]
["170755688","COC1(c2cccc(C(=N)O)c2)[C@@H]2CCC[C@H]1CN(CCc1cnn[nH]1)C2.Cl"]
["90772819","CC(=O)OCCCC1CC(O)C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1"]
["185882904","COC1(c2cccc(C(=N)O)c2)C(C)CCCC1CN(C)/C=C(\\C)C1CCC(C)O1"]
["122729244","CCOCCC1(C(O)=NCC(C)(O)c2ccc(C)o2)CCC1"]
["69824953","CC(C(=O)OCC(C)(C)CO)c1cc2ccccc2o1"]
["176202311","CCC1=C[C@@H]2[C@H](C1)CC2(CC(=N)O)CC(=O)OC(C)(C)C"]
["2746223","C[C@H]1CCCN(Cc2ccc([NH2+]C(=O)[C@@H](C)OCC3CC3)cc2)C1"]
["172036184","CO[C@H]1/C=C\\C=C(/C)C(O)=Nc2cc3c(c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(=N)O)=NC(=NC(=N)N1CCC1)N=3"]
["MCULE-2931631820","CC1CCCN(C(=O)c2nc(C(O)=Nc3ccc(N(C)C)cc3)c3ccccn23)C1"]
["184902542","COc1c(Nc2cc(=NC(=O)C3CC3)[nH]nc2C(N)=O)cccc1-c1ncc(C(O)=NC2CCC(O)CC2)s1"]
["168347031","[2H]C([2H])([2H])C(CN1CCN(c2cc(=O)c3nc4c(oc3c2)c2c(=O)c3c(O)c(C)c5c(c34)=C(O)C(C)(O/C=C/[C@@H](OC)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(O)=N2)O5)CC1)C([2H])([2H])[2H]"]
["180428303","COc1cc2cc(c1Cl)N(C)C(=O)C[C@@]1(OC(=O)CN(C)C(=O)c3ccc4[nH]c(=N)ccc4c3)C[C@]1(C)[C@@H](O)C[C@@H]1CC(C/C=C/C=C(\\C)C2)N=C(O)O1"]
["98809602","COC(O)=Nc1cnc(N2CCC[C@@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(OC)c1"]
["67169262","C=CCN=c1[nH]c(C(=O)OCC(=O)N2CCCC(C)C2)cs1"]
["MCULE-7691983436","COc1cc(C2C(C(O)=NC3CCCC3)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(OC)c1O"]
["167013165","Cc1ccc2c(N=C(O)C3CC3)c(F)ccc2c1Oc1ncccc1-c1ccnc(NC2CCCN(C(=O)OC(C)(C)C)C2)n1"]
["24057848","CC1CCCCN1c1nc2ccccc2c(=NCCCO)[nH]1"]
["70589836","COc1c(N2CCCC(NC3CCN(C(=O)OC4C(C)C(OC)C=COC5(C)Oc6c(C)c(O)c7c(c6C5=O)C(=O)C(N5CCOCC5)=C(N=C(O)C(C)=CC=CC(C)C(O)C(C)C(O)C4C)C7=O)CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"]
["17257086","Cc1ccc(NC(O)=NCCCCN2C[C@H](C)C[C@H](C)C2)cc1C(=[NH2+])O"]
["174486631","C=CCC=C(/C=C\\CC(/C=C\\CN/C=C/C=C\\C/C=C\\C=C/PC(/C=C\\C(C)=C\\C)=C/CC)=C/C)PC1C=C=CC(c2ccccc2)=CC1"]
["104621026","C=CCOC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1"]
["103562041","Cc1cccn2c(N=C(O)CCc3nc(-c4ccccc4)no3)c(-c3ccccc3)nc12"]
["179207268","CC1=C(c2ccccc2)C(C2C=CC(OCC(C)N3CC[C@@H](C)C3)=CC2)Oc2ccc(O)cc21"]
["77508097","CCCCc1nnc([S-])n1N=CC(C)=Cc1ccccc1"]
["173615178","C/C=C(C1=C(/C(O)=C(\\C)O)CC(/C=C\\CC)=C1C)\\C1=c2/cccc/c2=C(\\c2ccc3ccccc3c2)C/C=C\\C=C/[C@H]1C"]
["169283486","C=C(SC(=C)C1=CC2C(=C1N1CN(C)CC1(C)C)C2C/C=C\\C(C)=C/C)C1=CCC(C)C=C1"]
["110490143","CCSC(SCC)[C@H](SCC)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1"]
["134968461","Cc1cncc(N=C(O)C2CC(c3ccccc3)=NO2)c1"]
["153454036","C=CCNC(=O)C(=O)[C@@H](CCC)N=C(O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(O)=N[C@H](CN(C)S(=O)(=O)CC)C(C)(C)C)C1Cc3ccccc3C1)C2(C)C"]
["80764059","CCC1(C)N=C(O)N(CC(O)=Nc2c(-c3ccccc3)nc3c(C)cccn23)C1=O"]
["16018405","C=C(C)[C@@H]1CC=C(C)/C(=N/N=C(O)[C@H]2CC2(c2ccccc2)c2ccccc2)C1"]
["192506448","c1ccc(P2c3ccc4c5c3-n3c6c2cccc6c2ccc[n+](c23)C52c3c(cccc3-n3ccc[n+]32)O4)cc1"]
["153721517","O=C1[C@H](C(O)=Nc2nccs2)c2cccc3c2N1c1ccccc1O3"]
["90289328","CC(C(O)=NCc1ccc2c(c1)OCO2)[n+]1cccc(-c2ccccc2)c1"]
["193891013","c1ccc(N2c3cccc4c3[GeH]3c5c(cccc52)Oc2c3c(cc3cc5c6c(c23)Oc2cccc3c2[GeH]6c2c(cccc2N3c2ccccc2)O5)O4)cc1"]
["170965915","O=C(O)CCC1(NC(=O)c2cc3c(cn2)[nH]c2ccccc23)C(=O)N(c2ccccc2)c2ccccc21"]
["MCULE-1654663896","CN(CCN1CCN(C(=O)C2(F)CC2)CC1)C(=O)CN1CC(=O)Oc2ccccc21"]
["167354855","O=C1OC(c2ccccc2)=C[C@H](c2ccccc2)[C@]1(Cc1ccccc1)N=C(O)c1cccc(Cl)c1"]
["190193225","c1cc2c3c(c1)Oc1cc(C45CC6CC(CC(C6)C4)C5)cc4[n+]1C31c3c(ccc5c6ccccc6n(c35)-c3cc(C56CC7CC(CC(C7)C5)C6)cc-4[n+]31)O2"]
["33818314","O=C(N=[NH+]c1ccccc1)c1ccccc1N1C=C(O)O[N-]1"]
["179769056","CCC1(CC)[n+]2ccccc2-c2nc(C(C)(C)C)nn2C12c1cc3c(cc1-c1cc(C)c4ccccc4[n+]12)oc1ccccc13"]
["170040942","c1ccc(-n2c3cc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)ccc3c3ccc4ccccc4c32)cc1"]
["1901475","O=C(OCC(O)=Nc1ccc2c(c1)OC(F)(F)O2)c1n[nH]c2ccccc12"]
["97293737","C1=C2CSCN=C2[CH+]C2=C1CSC[N-]2"]
["162893500","Cc1nnc(C2=CCCSC2)o1"]
["56474465","Cc1ccc2n1[C@@H](Cc1ccc(O)cc1)C(O)=NC2"]
["171800766","COC(=O)C1=NCSC1"]
["88161682","CNCc1cc2n(c1)CCSC2"]
["101939760","Cc1cc(N[C@H]2C[C@H](N(C)C)C2)ncn1"]
["181523935","ON1CN=CC2=C1CCSC2"]
["98005191","On1ncc2cc(CC3=NCN=N3)ccc21"]
["101892706","O=C(NC1CCC(Oc2ccccn2)CC1)c1ccc(Br)o1"]
["49090745","O=C(NC1CCC1)c1ccc(Br)o1"]
["83974250","Clc1ccc(C2=NCSCS2)cc1"]
["173364208","CC1CCCC2=CCN=C21"]
["166806784","Oc1nc2c(OOc3c4nc(O)sc4c(O)c4nc(O)sc34)c3oc(O)nc3c(O)c2o1"]
["31476373","CCCCc1nc(C(=O)OCC)c(O)c2sc(C(C)(C)C)nc12"]
["29252680","Oc1nc2c(O)ccc(CC(O)NCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1"]
["175070865","Cc1nc(C(=O)N2CCOC3(CCN(CCOc4cc(C)c(CNCC(=O)c5ccc(O)c6nc(O)sc56)cc4C)CC3)C2)cs1"]
["29169686","O=C(O)N[C@@H](COCCCSCCNC[C@@H](O)c1ccc(O)c2nc(O)sc12)c1ccccc1"]
["25432812","Cc1cc(C(=O)O)c2sc(O)nc2c1N=NCC(=O)O"]
["192667927","NCC(=O)c1ccc2c(c1)=NC(=O)N=2.NCC(=O)c1ccc2sc(O)nc2c1"]
["31764850","CCOC(=O)c1nc(CSC(C)C)c2nc(C(C)(C)C)sc2c1O"]
["174959770","NCCc1ccc([O-])c2nc(O)sc12"]
["190096896","COc1ccc([C@H]2N=C(O)CO[C@@H]2C(O)=NCc2nnc(C)o2)cc1OC"]
["31728999","CCc1c(C)n(Cc2ccccc2Cl)c(=O)c2nc(O)oc12"]
["28818396","CO[C@H]1CN(c2nc(-c3nnc(C)o3)c(OC(=O)O)s2)CC[C@H]1N=C(O)c1[nH]c(C)c(Cl)c1Cl"]
["50073601","OC(=NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1O.OC(=N[NH+]=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1[OH2+].[Mn+2]"]
["123129238","COCCCCN(Cc1ccccc1)C(=O)c1ccccc1O"]
["90335369","Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=Nn1cnnc1-c1ccccc1"]
["152368817","Cc1cc(/C=N\\N=C(O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1"]
["MCULE-8413470799","COc1ccc(CCC(O)=Nc2ccc3c(c2)OCCN3C(=O)c2ccccc2Cl)cc1"]
["43873358","OC(=Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)cnc1Cl"]
["168677668","Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3O)c2c1O"]
["90335747","Cc1csc(CC(O)=NN=Cc2ccccc2OCC(=O)O)n1"]
["52695814","OC(=NN=Cc1cccc(C(F)(F)F)c1F)c1ccc(C(F)(F)F)cc1"]
["54536525","O=S(=O)(c1ccccc1O)c1c(O)c(Cl)cc(Cl)c1Cl"]
["179016376","CC(C)CCC(O)=NCCCCCCCCN=C(O)c1ccccc1O"]
["166156180","N=C(O)CSc1ccccc1C(O)=Nc1ncc(Cc2cccc(Cl)c2Cl)s1"]
["174246312","[B+]=C1CC(=[B+])C(=[B+])C(=C2C([S-])CC([S-])=C([S-])C2[S-])C1=[B+]"]
["180191906","[B+]=C1CC(C)C(F)[C-]=C1O"]
["178469675","[B+]=C1C=C(C)CC([NH-])C1"]
["65606038","[B+]=C1Cc2[nH]c([S-])nc2C=C1C"]
["49118339","Br.CC1=C(C)CN(CCC(=O)O)C(C(=N)O)C1"]
["55644862","CCN1CC(C(O)=NC(CCC(=O)O)C(=O)O)CC1=O"]
["99716698","[B+]=C1CC(C(=O)[O-])=CC(=C(C)O)C1=O"]
["98648867","CC.CCN1CC(S)CC1=O"]
["184939555","[B+]=C1CC(=[B+])C(=[B+])C(=c2[nH]c3c(c2=CC[C-]([O-])[O-])CC(F)=C[C-]3F)C1=[B+]"]
["176514491","[B+]=C1C=CC(C=C)=C([S-])C1"]
["177027400","[B+]=C1C(=[B+])[C-](I)CC(N)=C1[S-]"]
["178288867","C=C1C2=C(CC2=C2C3CCC23)C2=CC12"]
["173952346","CC1=C(C)C([Si-]=[Si-]([Si+]=C2[C+]=CCC(C)=C2C)([Si+]=C2C=C[CH-]C(C)=C2C)[Si-]=C2C=CCC(C)=C2C)=[C+]C=C1"]
["194666827","CC1=C2C(=O)N(C)C3OC3C2=C2CC=CC(C(F)(F)F)=C2N1C"]
["96936128","[C+]1=CCC2=C3C1=[C+]CCC=C3[CH-]C=C2"]
["180266941","[CH-]=CC1=C=C2C=C[CH-]C(C)=C2N1C1[C+]=CC=CN1C.[Y]"]
["97896619","CC1=C(C)C(N)=[C+]C=C1"]
["174441559","CC1=C(C)CNCC=C1"]
["173750747","COc1cc(/C=C\\c2cc(OC)c(OC)c(OC)c2)c(N/C=C\\C(O)=C2C=CCCC2=O)cc1OC"]
["175860406","CCCCC1=CC(Nc2cccc3c2C(=O)C2=C(C3=O)C(NC)=CC=CC2)=C(C)CC=C1"]
["183085383","COC1=c2ccccc2=C2C=CCC(C)=C21"]
["102919587","COC1=C2[CH-]C=CC1=CC1=C=C(C=CC1)Cc1cccc(c1OC)CC1=[C+]C(=CC=C1)C2.C[C](C)[O-].[Zr]"]
["42339028","CC1=C(C)C(=[Si+]C(C)[Si-]=C2C=CCC(C)=C2C)[C-]=C[CH+]1.c1ccccc1"]
["174441558","CC.CC1=C(C)CNCC=C1"]
["99446281","[B+]=[O+][C@@H]1[C@H]([P-][O-])[C@@H](B=O)C[C@H]1OP"]
["70239177","CC1C(OP)CC2OC(O)CC21"]
["69623206","POCC1CCC(OP)C1OP"]
["63419716","O=C1OC2C[C@@H](OP)[C@H](CO)[C@H]2O1"]
["154934162","CCC(I)C(=O)OC1CC2CC1CC2C(O)(CC)CC"]
["149908699","CC.[B+]=[O+]C1CCN([C-]([O-])OC)C1"]
["113076378","COCC(CO)N=C(O)C1CC2CC2C1"]
["192716320","CCC1CC(OP)C(O)C1C.OC1CCC(O)C(O)C1O"]
["50882996","[B+]NC1CC(OC2CC(C)(O[B+])C=C3C2=C([O+]=[B+])C2=C([C-]3[O+]=[B+])[C-]([O-])[C-]3[CH-]C[CH-][C-](OC)[C-]3C2=O)OC(C)C1[O+]=[B+]"]
["169774885","O=C(Cl)OC1CC2CC2C1"]
["150569627","CC(=O)OC1C[C@@H]2C[C@@H]2C1"]
["98761305","C=CC[C@@H]1[C@@H](C=C[C@H](C)OP)[C@H](OP)C[C@@H]1O"]
["177172519","O=C1C(=CC=CC=CC2=C([O-])C3CC4CCCCC4CC3S2=O)S(=O)C2CC3CCCCC3CC12"]
["171883158","C=CC1CCC(C=NN(C2CCCCC2)C2CCC3CCCCC3C2)CC1"]
["93907722","CCC(CC)C(NN)C1CCC2CCCCC2C1"]
["168416840","Cl.NC1C[C@H]2CCCC[C@H]2C1"]
["184157705","O=C[Si](O)(N1CCC2CC3CCCCC3CC2C1)N1CCC2CC3CCCCC3CC2C1"]
["98478837","CC1CCC(=O)C2CCCCC2CC1"]
["93511182","Cc1ccncc1C(N)C1CCC2CCCCC2C1"]
["146500454","Cl.NC1CC2CCCC(C1)C2N=C(O)c1ccnc(O)c1"]
["154096411","O=C1CC(=O)C(=O)C(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1=O"]
["158679265","O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc1"]
["32055704","O=C1c2ccccc2C(=O)N1C1=CCCC2CCCCC12"]
["103508937","O=S1(=O)CCCN1c1ccc(/C=C/C(O)=N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1"]
["69814964","Cc1nc(NCCCn2nc(C)nc2C)c2nc(C)oc2n1"]
["165504636","Cc1noc(-c2cccnc2NCC(C)(O)c2ccco2)n1"]
["144090436","Cc1cc(C)n(CCCN=C(O)NC2(C)CCCCC2)n1"]
["43039434","Cc1cc(C)n(CCCN=C(O)Nc2cccnc2)n1"]
["84861630","CCNCC=Cc1c(C)nn(C)c1C"]
["CSSS15281462713","Cc1nc(-c2noc(Cn3cc4ccccc4n3)n2)c(C)s1"]
["51913288","CCCNc1c(COCCOCCC)c(C)nn1C"]
["86407114","CCCNc1cc(Sc2ncns2)nc(C)n1"]
["147864640","COc1ccc(-c2nc3c(Nc4ccc(N=C(O)c5ccc(Cl)cc5)cc4)nc(C)nc3o2)cc1"]
["128079797","Cc1cc(C)n(CCCN=C(O)NC(C)c2ccccc2-n2cccn2)n1"]
["87963117","Cc1nc(NCCc2ccccc2)c(N)c(OCC(C)C)n1"]
["47391865","Cc1cc(C)n(-c2cc(NCCN=C(O)c3cnccn3)nc(C)n2)n1"]
["182293244","[O-][O+]1CCC(S)OO1"]
["186940710","Cl.N[C@@H]1CC[C@H]1S"]
["622616","C1CC2OCC1OO2"]
["173020124","C=S([O-])C1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(S)CC1"]
["85995554","NC(CC1CCOCC1)CC1CC1"]
["180775719","CC1OC(S)C[C@H]1C"]
["189796591","CC1OCC1(F)F"]
["180150431","C=NC1CCC(S)CC1"]
["167430271","CC(C)(C)[C@@H]1[C@@H](C(C)(C)C)O[O+]1[O-]"]
["185827673","CC1C2CCC(O2)C1S"]
["50601934","C1CC2CCC[O+]2C1"]
["170599356","[CH2-]C1C=NC([CH2-])CC1.[K+]"]
["175049408","C[Si]1(C)OOS(=O)(=O)SS(=O)(=O)O1"]
["99903602","C[Si]1(C)OCCCO[Si](C)(C)OS(=O)(=O)CS(=O)(=O)O1"]
["83950049","C[Si]1(C)CCCCS(=O)(=O)O1"]
["149601828","CC=CS(=O)CC1(CS(=O)C=CC)CO[Si](C)(C)O1"]
["57363685","C[Si](C)(C)C=CC=CC#N"]
["49835393","C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(F)[Si](C)(F)[Si]1(C)C"]
["81903440","C=C[Si]1(C)c2cc(C)sc2-c2sc([Si](C)(C)C)cc21"]
["174508013","O=S1(=O)OOOS1(=O)=O"]
["43126766","C[Si](C)(C)/C=C/C=C\\C#N"]
["108631398","CC(C)[C@H]1[C@@]2(CCS1(=O)=O)C[C@H](N)CS2"]
["99905672","CC[Si]1(C)OS(=O)(=O)CS(=O)(=O)O[Si](C)(CC)OS(=O)(=O)CS(=O)(=O)O1"]
["161714160","C[Si]1(C)OCCS1"]
["180300818","C1#CC(C23CC2C3SC2CC=CC=N2)NCC=C1"]
["178804804","COC(=O)CC1CC=CC=N1"]
["75016976","C1=CCC(c2ccc3[nH]ccc3n2)N=C1"]
["90812759","CC12C=CCC(CC1=O)C2"]
["74117879","COC1(S(=O)(=O)Cl)C#CC=CC1"]
["178921423","Brc1ccc2c(c1)NC1=CC=CC#CC12"]
["100269194","C1=CCC(N2C=CCC2)N=C1"]
["157829665","CC[C@H](C)[C@H]1C=CCN1"]
["180065883","O=C(Cl)C1=C(F)C=CC#CC1F"]
["178706321","CCCOC1CC=CC=C1O"]
["46876679","FCOc1ccccc1C1CC=CC=N1"]
["113175189","CC(NC(C)C12CC3CC(CC(C3)C1)C2)c1nc[nH]n1"]
["178690466","FC(=[C-]C(F)(F)F)C1CCC([C@@H]2[C-](F)CC2C2OCC(C3CCC([I+]I)CC3)CO2)CC1"]
["98521437","CCCC=CC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CO1"]
["64162112","CCCCCC1CCC(C2CCC(C3OCC(C4CCC(CC=C(F)F)CC4)CO3)CC2)CC1"]
["84879905","OCC1CCOC1c1ccccc1OC(F)(F)F"]
["66951327","C/C=C/CCC1CCC(C2OCC(C3CCC(C=C(F)F)CC3)CO2)CC1"]
["53961631","O[C@H]1COC2OCCC21"]
["176903902","O=c1cc(NCC2OCC3CC32)nc2n1CCC(C(F)(F)F)N2CC(O)(C(F)(F)F)C(F)(F)F"]
["98561944","CC1CCC(C2CCC(C3CCC(CC=C(F)F)CC3)CC2)OC1.CC1COC(C2COC(C3CCC(CC=C(F)F)CC3)OC2)OC1"]
["55131712","COC1COC(C2COC(C3CCC(CCCC=C(F)F)CC3)OC2)OC1"]
["190262798","COC(=O)C[C@H](C(O)=NN(Cc1ccccc1)C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1cc(F)cc(F)c1)C(C)(C)C"]
["74781073","CCC[C@H]1CO[C@H]([C@H]2CO[C@H](C3CC=C(C(F)(F)F)CC3)OC2)OC1"]
["180957091","C=CC1COC(C2CCC(C3CCC(=C(C(F)(F)F)C(F)(F)F)CC3)CC2)OC1"]
["97810386","N#[S+]1CCS2=N[S+](CC2)CC1"]
["185086157","O=S1CCCC1c1ccccn1"]
["184218490","NC1C=NCCS1=O"]
["162183422","Cc1cc(C)c2nccn2c1C"]
["78728970","CC1=N[SiH2]OCC1"]
["97825785","N#[S+]1CCSCC[S+](#N)CC1"]
["75342897","C1CNCCN[N]1"]
["96883515","N#[S+]1CCSCCSCC1"]
["100855956","[NH3+][SH]1CCS2=N[S+](CC2)CC1"]
["190858127","OC1(CF)CC2(O)C(F)(F)C(O)(F)C(F)(F)C(O)(C1(F)F)C2(F)F.OC1(F)C(F)(F)C2(O)CC(F)(CF)C(F)(F)C(O)(C1(F)F)C2(F)F"]
["91592619","OC1(CF)CCCC2(CCCCC2)O1"]
["197287058","Cc1nnc(C(N)C2(O)CC(CF)(CF)C2)n1C"]
["145643102","CCC#CC1(O)CC(F)(F)C1"]
["55324543","C=CC(=O)OC12CC(F)(CF)C(F)(F)C(F)(C(F)(F)C(F)(F)C1(F)F)C2(F)F"]
["120403239","CC1(C)CNCCC1(O)Cc1ccc(F)c(Br)c1"]
["157921973","CN1CC[C@H](N[C@@H]2CCC(F)(F)C2)C1"]
["183043066","CC1(C)C(C)(C)C(F)(F)C(F)(F)C(F)(F)C1(O)F"]
["162655259","CC(CN)C1(O)CCCNC1C"]
["197177754","FCC1(CF)CC2(C1)NCC(F)(F)CO2"]
["106978906","CN(C)CCCN1C(=O)[C@@](O)(C(F)(F)F)C2=C1CCCC2=O"]
["30209949","N=C(O)C(O)C1(N=C(O)C(N)CC2(F)CCCC2)CC(F)C1"]
["161787428","CB=BB=B[B]PB=BB=BB(I)I"]
["81839645","B=BB=BB=BC"]
["78636576","B[C@H](C)B(C)B=BC"]
["173844879","B#[B-]B(I)B(B=B[B]I)[B+]B(C)B(C)C"]
["99834266","CB=B[B]I"]
["173656246","CB=BB=BOI"]
["166770174","CB(C)B(C)I"]
["161832352","CB=BB=B[B]B=BB=BCCC(C)O"]
["173760414","CB=B[B]B=BC(C)C"]
["171747765","B#[B-][B+]B(C)B(C)B=BB=BCC"]
["173737245","C[B]B(C)S"]
["173696387","CB=B[B]C(C)C"]
["171243445","O=S(Cl)c1sc(S(=O)Cl)c(S(=O)Cl)c1S"]
["26776324","O=S(Cl)C1=NCC1O"]
["151143774","O=C(Oc1ccc(F)cc1)[S@](=O)Cl"]
["176853162","COc1cc(Cl)c(Br)cc1S(=O)Cl"]
["59893319","O=S(O)c1cc(S(=O)O)c(Cl)s1"]
["99843662","O=S(O)c1ccc(O)s1"]
["108916269","Cc1ccc([S@](=O)Cl)cc1"]
["75950018","O=C(O)c1cccc(C(=O)O)c1S.O=CCl"]
["162619879","N#CCc1cc(S)c2sc(Cl)cc2c1"]
["162750085","O=S(Cl)c1ccc(Br)cc1Cl"]
["162618503","O=[N+]([O-])c1cc2c(S)cc(O)cc2s1"]
["151143773","O=C(Oc1ccc(F)cc1)[S@@](=O)Cl"]
["79322112","OP(O)(=S)C[CH-]CN1C[CH+]CS1(O)O.[Na+].[Na+]"]
["99568810","N/C=C/CP(O)(O)=S"]
["78096073","CCP(O)(=S)CC.[CH2-]CP(O)(=S)CC.[Na+]"]
["45395504","S=P(NCCCCCNP(=S)(N1CC1)N1CC1)(N1CC1)N1CC1"]
["54451373","O=S1(=O)CCCN1CCCP([O-])([O-])=S.[Na+].[Na+]"]
["91258117","CS(=O)(=O)OCCP(O)(O)=S"]
["42980334","CP(O)(=S)CP(O)(O)=S"]
["101458226","CS1(CN)CS(O)(O)C1"]
["9360444","OP(O)(=S)N1CCCCC1"]
["25216620","N#CCCP(O)(O)=S"]
["101375188","CS(=O)(=O)OCCN1CCCS1(O)O"]
["73575139","O=CCN1CCCS1(O)O"]
["46304393","[3H]OOP([3H])P(=O)(OOOP([3H])([3H])(P=O)P(=O)=O)P=O"]
["66292693","CP(=O)(OOO)P=O"]
["174944266","O=C(O)C(=O)OB(OC(=O)C(=O)O)OP(=O)(O)OC(=O)C(=O)O"]
["53740426","O=PP(=O)(P)OOO"]
["52618471","C=CC(=C)CCOP(=O)(OOO)P(=O)=O"]
["185776085","O=P(=O)[Si](ON=NPB(O)O)(P(=O)([O-])O)P(=O)(O)P(=O)([O-])[O-]"]
["174818015","O=P(=O)O.O=PO.[NH3+]P(=O)(O)O"]
["181238161","[N-]=[N+]=NOP(=O)(OOP=O)OP(=O)(O)O"]
["188079576","CCCOP(=O)(CC)OPOP=O"]
["190180736","CCCCC(CCC)(CCCC)OP(=O)=O.CCCCC(CCC)(CCCC)P(=O)(O)[OH2+]"]
["183469459","O=POP(=O)(OC(=O)O)O[N+](=O)[O-]"]
["50487870","CCCCC1CCC(OP(=O)(O)OC2CCC(CCCC)C(CCC)C2)CC1CCC"]
["173952269","[Al].[CH+]=CC=C=C[C-]1C=CC=CC1"]
["176271320","[2H]S1([2H])C=CC=CC1"]
["101688180","[CH+]=CC=C=C1C=CC(C(=O)[O-])=CC1.[Hg].[Na+]"]
["184147512","C1=CC[C-]([N+]2=IOc3ccc4c5c(ccc4c3[CH-]2)OCN(c2ccccc2)C5)C=C1"]
["195794203","O=C1[CH-]C[N+]([C-]2C=CC=CC2)=IC1"]
["102978235","C=C=C[C-]1CC=CC(C)=C1[O-]"]
["175813304","O=[N+]([O-])C1([As](=O)(O)O)C=CC=CC1"]
["161902398","C1=C\\C=C/[Te]C\\C=C/1"]
["176376292","CC.CCC=C=C1C=CC=C[CH-]1.[V]"]
["66623743","CS(=O)(=O)N1C=CC=CC1"]
["172414406","[Si-]=C=C=C1[CH+]N2C=CC=CC2=N1"]
["98171317","O=CC1=CC=CCN1Cl"]
["172944097","O=C(C[S+]1CCCCC1)OC1C2CC3C1CS(=O)(=O)C3C2"]
["92814450","O=C(O)CN=C(O)C1CC1C1CCCCC1"]
["185188381","CCOC(=O)C1C2CC(CC2C)C1C(=O)O"]
["83797803","COc1ccc(CCC(=O)OCC(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1OC"]
["171962021","O=C(OC1C2CC3C(O2)C1OS3(=O)=O)C1C2CC3OC(=O)C1C3C2"]
["3597651","CC(C)(C)[C@H]1CC[C@H](OC(=O)C[NH+]2CCCCC2)CC1"]
["79308666","O=C(C/C=C/c1ccc(Br)cc1)OC1C2CC3CC(C2)CC1C3"]
["90243832","O=S1(=O)CC2CC1CN2Cc1cccc(C2(O)CC2)c1"]
["73785910","C[CH]COC(=O)C1CCCCC1"]
["60997956","C=C(CC(=O)OCC(=O)OC1CCCCC1)C(=O)OCC(=O)OC1CCCCC1"]
["91378818","CC(C)OC(=O)C(Cl)=CC1CCCCC1"]
["64935827","O=C(CCl)OC1C2CC3C(=O)OC1C3C2"]
["74664473","N=C(C[C-]=O)C1(C2(C3(C4(C5(C6(C#[O+])CN6)CN5)CN4)CN3)CN2)CN1"]
["75816965","N=C(O)C1=C[C](C(N)=O)NC(C(=N)O)=C1"]
["108232649","CC[C@@]1(C(=O)O)CC(F)(F)CN1"]
["63899374","CC(C)(C)OC(O)=NCC1CNCC12CC2"]
["120068367","CC(CC#N)N(C)C(=O)C1(C(C)C)CCNC1"]
["79085841","NC(C#[O+])CCC(O)C[C-]=O"]
["159143081","N=C(O)NC[C@H]1CNCC12CCC2"]
["180762194","N=C(C1C(=O)CC2CC21)C(F)(F)I"]
["69973417","Cl.OC[C@H]1CC(F)(F)CN1"]
["173139070","N=C(O)C1(O)CCCCN1"]
["50578439","COCCOCC(=O)N1CCN=C(O)C1(C)C"]
["29937219","C[C@@H](c1ccc(F)cc1)N1CCC(CCC(=N)O)(c2ccc(F)cc2)CC1=O"]
["76197726","CC(S)SC(C)SC1SCSC(SC(C)SC(C)S)S1"]
["159160639","C[C@H](C#N)N[C@H]1CC[C@@H](C)SC1"]
["157262457","C[C@@H]1CN([C@H](C)C(=N)S)CCS1"]
["156321030","CC1CSCC1N=C(O)[C@H](C)O"]
["178893022","CC1C[C@H](C2[I-]C2C)SCS1"]
["106930835","Cc1ccc2c(c1C)CCN[C@H]2[C@H](C)S"]
["106086650","C[C@H](CN)SC1CCOCC1"]
["192055862","C[C@H]([NH-])[C@H]1CC1(Cl)Cl"]
["91797933","Cc1ccc(C(C)NCC(C)C2CC2)s1"]
["157015674","CC(C)[C@H](C)SC1CNC1"]
["83661303","CC1=C(C)C2C(=O)N=C(C(C)SC3CCCC3)N=C2S1"]
["158045610","CO[C@H](C)[C@@H]1NC[C@H](C)S1"]
["188248632","BC=CBC=CC(C)(C)BC=CC(C)C"]
["79067955","C=CC(O)C(CC)(C(O)C=C)C(O)C=C"]
["97848578","C=C(C)C(O)(/C=C\\C(C)(C)O)C(C)C"]
["67816900","CC(C)C=CC=CC(C)C"]
["180717695","CC(C)/C=C/C(C)C(=O)N(c1cc(C(C)/C=C/C(C)(C)C)sc1C(=O)O)C(C)/C=C/C(C)O"]
["166780677","CC=CC(C)(C)C(C)C(C)(CC)C(C)CNC"]
["45278461","CC(C)/C=C/C(C)(C)C"]
["91350905","CC(O)C#CC=CC(C)(C)O"]
["173634627","CCC(C)CCC/C=C/C(C)(C)NCO"]
["158044104","C[C@H](N)/C=C/[C@H](C)C(C)(C)C"]
["97405625","CC(C)(C)/C=C/[C@H]([C@@H](/C=C/C(C)(C)C)C(C)(C)C)C(C)(C)C"]
["26173491","CO[Si](C=CC(C)C)(OC)OC"]
["185702283","C#CC1(C#C)C(F)(F)C(F)(F)C(SC2C(F)(F)C(F)(F)C(C#C)(C#C)C(F)(F)C2(F)F)C(F)(F)C1(F)F"]
["43172302","C#CP(F)(F)(F)F"]
["157794450","C#CC[C@H](N)[C@@H]1CCCC(F)(F)C1"]
["108178465","C#C[C@]1(C)C[C@H]1C=C(C)C"]
["169898398","FC1CCC2C(F)(C1)C21C(F)C(F)(F)C1(F)F"]
["157789004","C#CC[C@H](N)[C@H]1CCC(F)(F)C1"]
["99712290","[B][C@@H]1O[C@H](CO)[C@@](O)(C#C)C1(F)C=C=C"]
["78902234","C#CC1(N)COC1"]
["108178623","C#CC1(Cl)[C@@H](C)[C@@H]1C"]
["78765630","OCC1(F)C(F)C(F)(F)C(F)(F)C1(F)F"]
["197632921","C#CC1(F)CCOCC1"]
["162680469","C#CC1(F)CCC(C)NC1"]
["49354595","Cc1csc(P(c2csc(C)c2)c2csc(C)c2)c1"]
["137394740","CCC(C)(N=C(O)c1cc(C)ccc1F)c1nc(C)cs1"]
["173164442","C=COc1c(Cl)cc(C)cc1Cl"]
["43973662","CC(=[N-])c1ccc(C)cc1O.CC(=[N-])c1ccc(C)cc1O.[Pt+2]"]
["183043614","CNC(C)(C)C(=O)c1cc(C)cs1"]
["113647316","Cc1cc(-c2nnc(I)s2)ccn1"]
["MCULE-4772782553","COc1cc(F)ccc1C(O)=Nc1ncc(-c2cc(C)cs2)c(C(F)(F)F)n1"]
["22996831","Cc1cccc(NC2=CC(c3cccs3)N(c3cccc(C)c3)C2=O)c1"]
["52169700","Cc1ccc(C(O)Cc2cc(Br)cs2)cc1"]
["113407426","Cc1ccc(F)c(-c2nnc(O)c(C)c2C)c1"]
["MCULE-3932428877","Cc1csc(-c2ccc(F)cc2C(O)=Nc2ncccc2F)c1"]
["84950680","Cc1ccc(C(CCl)Cc2cscn2)cc1"]
["25273883","Nc1c(F)c(F)c2c(oc3c(F)c(F)c(N)c(F)c32)c1F"]
["196568659","Nc1c(F)c([O-])c(C(=O)O)c(F)c1F"]
["176654332","Nc1c(F)c(F)c(C(=O)O)c(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c1F"]
["27270836","Br.N=C(N)SCc1cccc2c1oc1c(CSC(=N)N)cc(F)cc12"]
["96610567","CC(C)(C)c1cc2c3oc(-c4ccccc4)c(-c4ccccc4)c3c3cc(C(C)(C)C)cc4c5c(-c6ccccc6)c(-c6ccccc6)oc5c(c1)c2c34"]
["60769079","Nc1cc(N)c2oc3c(N)cc(N)cc3c2c1"]
["75382616","COc1c(F)c(N)c(F)c(N)c1F"]
["163246250","Cc1cc(Br)c(F)c2c(N)c(N)cnc12"]
["1637","CCCCCCOCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F"]
["120598782","CN(c1ccc(F)cc1N)c1coc2ccccc12"]
["161784057","Nc1c(F)c(F)c(C(=O)[O-])c(F)c1F.[K+]"]
["188736111","CCc1nc2cc(CO)c(F)c(F)c2o1"]
["178636781","C=IC1C(Cl)C2CC([N-][CH2-])C1[Cl+]2"]
["34239145","C=C(CCl)[C@H]1CC=C(C)[C@@H](O)C1"]
["195419897","C=IC1CC(B2OC(C)(C)C(C)(C)O2)CNC1Cl"]
["178623454","C1=CC2C=C1CC1CC21"]
["109020596","Cl[C@H]1[C@@H]2CC[C@H](C2)[C@@H]1Cl"]
["46286383","OB(O)C1CCC(Cl)CC1Cl"]
["185678118","O=C1C2CC(Cl)C(Cl)C2C1(Cl)Cl"]
["108947982","C=C[C@H]1C[C@@H](Cl)[C@@H]1Cl"]
["178763269","[B+]=C([N-][CH2-])I=C.[U]"]
["162157486","ClC1CC1C#CBr"]
["15638380","O[C@@H]1C[C@H]2[C@H](Cl)[C@@H]1[NH2+]C2(C(F)(F)F)C(F)(F)F"]
["184354851","C=CCOC1CC(Cl)C(C=O)C(Cl)C1I=C"]
["195722261","CC(C)(C)NNN(N[I+]C1NO[C-]1[O-])C(C)(C)C"]
["182990572","CC(C)(C)NC(=[NH2+])N(C(C)(C)C)C(C)(C)C"]
["162859202","CNC(C)(C)CN1CC2CC1CO2"]
["176409005","C=CC.CC(C)(C)Nc1nc(C(O)=Nc2ccccc2)co1"]
["52949222","CC(C)(C)N(CCC(=O)O)C(=O)c1ccc(Br)o1"]
["79727971","CC1=C(C)C([SiH3])C([Si](C)(C)NC(C)(C)C)=C1C"]
["167247376","C=CCNNC(C)(C)C"]
["102921223","CC(C)(C)N([O-])c1nc2ccccc2[nH]1"]
["173354608","CC(C)(C)NN(C=C[SiH](Cl)Cl)C(C)(C)C"]
["92241759","CN(c1nc(CNC(C)(C)C)co1)C1CCCCCC1"]
["173096274","CC(C)(C)NNC=C([SiH3])NNC(C)(C)C"]
["79137189","C=C[SiH](NNC(C)(C)C)NNC(C)(C)C"]
["195869072","CC(C=CC(=N)c1ccccn1)=C1C(=c2c(C)cc(=C3N=Cc4ccccc43)cc2C)C(=c2c(C)cc(=C(C)c3ccccc3[NH3+])cc2C)C([C+]2C=CC(C3=[N+]=CC=C3)N=C2)=[Si]1C"]
["MCULE-8089814919","Cc1ccc(C)c(-c2ccccc2C(O)=Nc2ccccn2)c1"]
["17965069","Cc1ccccc1C(O)=N[C@@H]1CCCc2nc(-c3ccccn3)ncc21"]
["MCULE-7411069900","Cc1ccccc1COc1cn(Cc2ccco2)c(CN2CCN(c3ccccn3)CC2)cc1=O"]
["MCULE-3115969336","COc1c(F)cccc1-c1cc(F)c(N=C(O)c2ccccn2)c(F)c1"]
["171152919","Cc1ccccc1-c1nc(N2CCN(c3ccccn3)CC2)cc(N2CCCC2CO)n1"]
["MCULE-4068403710","Cc1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccn4)CC3)cc2)c1"]
["29174806","Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3-c3cccnc3)cc2nc1C1CC[C@H](N)C1"]
["117021564","Cc1cc(N2CCN(C)CC2)cc(C2CCCN2C(=O)c2ccccn2)n1"]
["99211529","C/C(=C(/[O+]=[Si-])c1ccccn1)C(C)C"]
["26428170","CC[C@H](C)[C@H](N)C(=O)N(CC(=N)O)c1ccc(Br)cc1C(=O)c1ccccn1"]
["MCULE-6739977296","COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1C"]
["98499071","CC12C(O)(O)C3(C)C(O)(O)C(O)(C1(O)O)C1(O)C4(O)C(O)(O)C(N)(C2(O)O)C341"]
["145106061","COc1cc(C(O)C2(N)CC2)cc(OC)c1OC"]
["181191996","CC1(N)C=CC=CC1(O)F"]
["26024003","C[C@]1(O)CC[C@@H](N)CC1"]
["86471283","Cc1ccc(N=C(O)C2(C)CCCS2)cc1S(N)(=O)=O"]
["86966948","Cc1ccc(N=C(O)C2(C)CCCS2)cc1N"]
["172358854","C[Si](C)(C)C12C=CC=CC1(O)O2"]
["58576928","C=CC(=O)[O+]=[Si]=[Si-]1(C)CCCC(C)(C)O1"]
["187864326","NC1(C(=O)O)CCC2NCCCC21"]
["162980798","CCC1(C)CN(CC2(N)CC2)C1"]
["90196266","Cc1cc(O)cc(C)c1C1(N)CC1"]
["197285254","CC1CCC(O)(C2(N)CCOCC2)CC1"]
["78661591","CN1[SiH](C)N[Si]2(C)N([SiH](C)C[Si]1(C)C)[Si]1(C)N[SiH](C)N(C)[Si](C)(C)N[SiH](C)N21"]
["60172905","CN1CCC(N(C)C2CCNC2)CC1"]
["65369509","CN1[SiH2]N[SiH](C)N(C)[Si](C)(C)N(C)[Si]1(C)C"]
["145530271","C[SiH]1CCC[SiH2]N1C(C)(C)C"]
["160996459","CCCN1[SiH2]CCC[Si]1(C)C"]
["87924590","CN1CCc2o[nH]c(=N)c2C1"]
["108395897","CN1CCc2cc(C(O)=NCC3CC3)c(N(C)C)nc2CC1"]
["52145548","CN1CCC(n2c(=N)[nH]c3ccc(F)cc32)CC1"]
["79372203","CN1[Si](C)=N[SiH](C)N(C)[Si]1(C)C"]
["51155742","CN1CCc2nc(C(F)(F)F)ncc2C1"]
["89348521","CN1Cc2[nH]oc(=O)c2C1"]
["148691931","Cn1cc(N2C[Si](C)(C)CC[Si]2(C)C)cn1"]
["53210230","[3H]CS[N-]SC[3H].[K+]"]
["33359444","CC[N-]CC.[K+]"]
["51136008","[3H]C[PH-].[Li+]"]
["79652143","[CH2-]SC.[K+]"]
["79513958","CCN(CC)CC.[K+].[OH-]"]
["98803843","C=S.[3H]CCC"]
["161683197","CC(=O)S#[Ge]"]
["180832242","CC1=CC[NH+](O)C(C)=C1"]
["78489764","CS[O+]=[N-]"]
["60291840","[3H]CC([3H])[3H]"]
["62366590","[3H]CCC[B]"]
["43725483","[3H]CCCF"]
["173678370","[B+]=C1C=CC(=NN=c2[n-]c3sc([N-]N=C4C=CC(=[B+])C=C4)cc3s2)C=C1"]
["110961528","O=C1C=CC(=NN=C2C=CC(=[N+]([O-])O)C=C2)C=C1CN(Cc1ccccn1)Cc1ccccn1"]
["170656957","OC(N=C1C=CC(=N[N-]c2ccccc2)C=C1)=C1C=CC=C1.[Fe+2].[O-]C(Nc1ccc(N=Nc2ccccc2)cc1)=C1C=CC=C1"]
["99579054","[B+]=C1C=CC(=[N+]2C=C(CNC(=O)c3ccc(Cl)s3)[N-][N-]2)N=C1"]
["75341819","Cn1cc([N+](=O)[O-])sc1=NN=C1C=CC(=[N+](Cc2ccccc2)Cc2ccccc2)C=C1.[Cl-]"]
["42972290","N=C1C=CC(=N/N=c2\\ccccn2O)C=C1"]
["178805872","Cc1cc2/c(=N/N)c3cc4c(cc3c2s1)/c(=N\\N)c1cc(N)sc14"]
["180740333","ICn1ccn(C2=CC2)c1=NN=C1C=CC(=[N+]2CCNCC2)C=C1"]
["175804506","[B+]=C1C=CC(=S(=O)([O-])CC2COC2)C=C1"]
["173149107","[B+]=C1C=CC(=[N+](Cc2ccc(S(C)([O-])[O-])cc2)/C(C)=C(/C=O)CC#C)C=C1"]
["MCULE-7915807826","COc1cc(F)c(-c2cc(C(F)(F)F)cnc2N=C(O)c2ccc(C)s2)c(F)c1"]
["180574586","[B+]=C1C=CC(=NC(O)=c2ccc(=C3C=[C-]C(F)C=C3)s2)C=C1"]
["171069206","FC(F)=C(F)C(F)=C(F)C(F)(F)C#CC(F)(F)F"]
["194662193","C=S(O)C(C)(F)F"]
["184749815","CC(F)C(F)=C(C(F)(F)F)C(F)(F)F"]
["34256463","F/C(=C(/C#C/C(=C(/F)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F"]
["24831214","O=C(O)C#CC(F)(F)F"]
["172858822","FC(OC(F)=C(F)C(F)=C(F)C(F)(F)C(F)(Cl)Cl)=C(F)C(F)=C(F)C(F)(F)C(F)(Cl)Cl"]
["79728203","CCCC(F)(OC(F)(CCC)C(F)=C(F)F)C(F)=C(F)F"]
["187364877","OC(C#CC(F)(F)C(F)(F)Br)c1ccccc1"]
["66114457","FC(=C(C(F)(F)F)C(F)(F)F)C(F)C(F)(F)F"]
["173299407","CC.CC(F)=C(C(F)(F)F)C(F)(F)F"]
["78307382","FC(F)=C(OC(=C(F)F)C(F)C(F)(F)F)C(F)C(F)(F)F"]
["61554344","[2H]C([2H])(O)C(F)(F)C(F)(F)F"]
["184216979","N=C1C=CC(=O)C1CN1C(=N)C=CC1=O"]
["191807376","CCc1ccc(C(O)=NC(=O)C(CCCCN2C(=O)C=CC2=O)CC(=O)CCCC(=O)CC(CCCCN2C(=O)C=CC2=O)C(=O)N=C(O)c2ccc(CC)cc2)cc1"]
["184325193","CC(C)C1CC(O)C=CC1=O"]
["181874918","CN(N=[N+]=[N-])C(=O)CCCCCN1C(=O)C=CC1=O"]
["74636421","CC1=CC23C1C1C(=O)C=CC(=O)C1C2C3C(C)C"]
["105922376","O=C1C=CC(=O)N1CCCOc1c(Cl)cccc1Cl"]
["82046726","CC(C)N=C(O)C1CCCC1N1C(=O)C=CC1=O"]
["14200815","O=C1c2ccccc2C(=O)N1C[C@H]1CO1"]
["173410647","CC1=C(C)PC(C(=O)CO)C=C1"]
["174440215","C=O.O=C1c2ccccc2CN1CC1CCO1"]
["172267528","CCCCCCCCC1=CC(O)C(=O)C=C1"]
["89022769","CCCN1C(=O)CN(C)c2ccc(N)cc21"]
["195347590","C[I-]OP(OI(C)P(ON)OPON)I(C)ON"]
["195622791","COC(ON)[I-]C"]
["180287615","COC(C)(C)P(O)ON"]
["180684394","C[I-]CC(CN)I(C)C"]
["173383029","C=CC=NOPON"]
["61407464","NOP[I-]N"]
["168398618","C=C/C=N/OPON"]
["198776005","[3H]P(C)C(C)SP(C)C([3H])(C)SP(C)C([3H])(C)SP(C)C([3H])(C)SN"]
["179586102","CC(ON)I(C)I"]
["195681077","CCP(OC)ON"]
["99322483","C[N+](C)(C)CC(=O)P(O)CC(=O)O"]
["175140138","NOPOP(=O)(c1ccccc1)c1ccccc1"]
["185107093","Brc1nc(Br)c2nc(Br)c(Br)nc2n1"]
["90136840","Cc1cccc(-c2nc(Br)nn2C)c1"]
["89710236","NCCc1sc(-c2ccco2)nc1Br"]
["169338833","O=Cc1nc(Cl)cnc1Br"]
["176462750","Cc1cc2cccnc2nc1Br"]
["168536625","Oc1ccc(-c2nc(Br)c3cc(O)ccn23)cc1"]
["164441681","C/C=N\\c1c(C)nc(Br)nc1OC"]
["161666893","Nc1nc(Br)nc2ncn(O[N+](=O)[O-])c12"]
["89406395","CCc1nc(Br)c2n1CCC(C(C)C)C2"]
["74911030","Cc1ncc(-c2ccccc2)nc1Br"]
["90125472","Clc1cc(Br)cc2cnoc12"]
["60539451","O.[Na+].[O-]c1nc(O)nc(Br)n1"]
["184485013","CC1CCC2C(CC1)C2[I-]C1CCC([I-]C2CCC([I-]C3CCC([I-]CC4CC(F)C([I-]CC5CCC(C)CC5F)C(F)C4)C(F)C3F)C(F)C2)CC1"]
["179860477","C=IC1C(CC2CCC(C)CC2)CCC2C3CCC(OC)C(F)C3OC21"]
["27750113","Cc1ccc(C2C(F)CC(C3CCC(C)CC3)CC2F)s1"]
["184492938","CC1CC(C(O)=NC23CCC(N=C(O)COC4CCC(Cl)C(F)C4)(CC2)CC3O)O[N+]1=O"]
["58275655","CCOc1ccc(NC2=CC(C)[C@@H]3CC[C@@H](C)C[C@@H]23)cc1"]
["95204244","CCN(CCC#N)C(=O)C1CCCCC1C(F)(F)F"]
["58073887","CC1CCC(C)C(N(C)C2CCCC2CN)C1"]
["172913399","CCCS(=O)(=O)C1CCC(OCC(O)=NC23CCC(N=C(O)COC4CCC(Cl)C(F)C4)(CC2)C[C@@H]3O)CC1"]
["83760833","CC1CCC(N(C)C(=O)CSC2=NC(=O)C3C(=N2)SC2=C3CCCC2)CC1"]
["179710380","CC1CCC(CC2CCC(C3CC(F)C(F)C(F)C3)C(F)C2)CC1"]
["137998333","CC1CCC(NC(O)=NCc2ccccc2S(=O)(=O)N(C)C)C(C)C1"]
["49766536","Cc1cccc(S(=O)(=O)C2CC(C)CCC2CN)c1"]
["171898962","CCCCCCC1=C(C)C(=[Si-]C2[C-]=C3CC4=C(CCCC4)C3CC2)C(C)=C(C)[C+]1C.[Ti]"]
["80924261","CCCCCC[N+]12CCC3CCC(C(Oc4ccccn4)C1)C32C"]
["182470016","CCCCCC(=O)CCCCCC1(N2CCOC(CCCC(=O)CCC)C2)CCCN1N=[N+]=[N-]"]
["26672284","CCCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@@H]4CO[C@@H](CC)CO4)cc3)cc2)CC1"]
["134514411","CCCCCCCCCN(C)C1CCN(C)C1=O"]
["MCULE-4417853909","CCCCCCc1ccc(S(=O)(=O)N(CCN(C)C)c2ccc(C(C)C)cc2)cc1"]
["91170673","C=Cc1ccc2c(c1)Cc1cc(C=Cc3cc(CCCCCC)cs3)ccc1-2"]
["MCULE-1229078755","C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1"]
["63403119","CCCCCCCC(=O)OCC1CN(C(C)C)C(=O)O1"]
["185705692","CCCCCCc1ccc(-c2ccc(C3CCC(C#N)CC3C(CC)CCC)cc2)cc1"]
["174375930","CCCCCCCCC(=O)CC1(C)SC(=[NH+]C2CCCCCCC2)N=C1O"]
["78152810","CCCCCCc1ccc(CC(=O)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1"]
["12858211","[H]/N=C1/C(=CC2=c3ccccc3=NC2)C(=O)N=C2SC(c3ccc[nH+]c3)=NN21"]
["48574005","Cn1c(CN2CCOCC2)nnc1-c1ccc[nH+]c1"]
["121006893","C=CCSC1=NC(=O)C2=c3ccccc3=NC(C3CC4C(=CCCC4(C)C)CC3C)N2N1"]
["10195995","OC(=NC[C@H](c1ccccc1)N1CCCC1)c1cc(-c2ccc[nH+]c2)nc2ccccc12"]
["19397133","[H]/N=c1/c(=C/C2=c3ccccc3=[NH+]C2)c(=O)nc2s/c(=C/C(=O)N3CCOCC3)[nH]n1-2"]
["80662408","CC1CCCN(Cc2csc(N=C(O)c3cn(-c4ccccc4)nc3-c3ccc[nH+]c3)n2)C1"]
["7252168","[H]/N=C1C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)/C(=O)N=C2SC(COc3cccc(C)c3)=NN2/1"]
["MCULE-7833650607","Cc1ccccc1-c1ccc(NC(=O)C(c2ccccc2)N(CCO)S(=O)(=O)C2CC2)cc1"]
["199120499","COc1ccc(C(C)N(Cc2ccccn2)C(=O)CN2CC(O)=NC2=O)cc1"]
["19238675","Cc1[nH+]ccn1CCN(C)C(=O)[C@H]1CCCC2=c3ccccc3=N[C@@H]21"]
["150990023","Cc1nc2ccc(N=C(O)CCCC3=c4ccccc4=NC3)cc2[nH]1"]
["1945547","[H]/N=C1C(=C\\c2cc(C)n(Cc3ccccc3)c2C)/C(=O)N=C2SC(c3cccc(C)c3)=NN2/1"]
["168295390","C=[N+]=C1C(=O)C(OC2=C([N-]CC)CC([NH-])=C(OC3=C([NH-])C[C]=C(C[NH3+])O3)C2=[OH+])=[O+]CC1([CH2+])O"]
["32586402","CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC=C3C4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@@]32C)C1"]
["163655685","CCOC1=C(O)C(=O)O[C@]1(CC(O)CO)[C@@H](O)CO"]
["49786582","CCOC(=O)C1=C(C)N(CC(=O)N2CCN(C(C)=O)CC2)C(=O)CC1c1ccccc1Cl"]
["97480053","CCOC(=O)c1sc2c(c1C)C(=O)C1=C(CC(C)(c3ccccc3)O1)C2=O"]
["5890734","COc1cc(C(=O)N=c2cc(C(C)C)[nH][nH]2)cc2c1OCCO2"]
["154179135","CC(=O)O[C@@H]1/C(C)=C\\C[C@@H]2C(C(C)C)=CC(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)C[C@@]21O"]
["194927170","C=C(CC[C@@H]1CCC2=C(C(=O)O[C@@H]2OCC)C1(C)C)C[C@H](O)C=C(C)CO"]
["141739024","CNS(=O)(=O)c1cccc(C(C)NCC2(O)CCOC2)c1"]
["183558309","CCOC(C)CN1CCOC(O)C1(C)C"]
["104984553","CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)N([C@@H](C(=O)O)C(C)C)c1ccccc12"]
["195015545","C=C1C(=O)OC2C=C(CO)C3(O)CC(OC)C(C)(CC(OC(=O)C(C)CC)C12)O3"]
["66058562","[C-]#[N+]C1=C(C)N=[S+]C1=NN=C1C=CC(N(CC)Cc2ccc(C(=CC=CC(c3ccc([CH-]N(CC)c4ccc(N=Nc5snc(C)c5C#[NH+])c(N=COC)c4)cc3)c3ccc(N(CCCC)CCCC)cc3)c3ccc(N(CCCC)CCCC)cc3)cc2)=CC1=NC(C)=O"]
["47961763","C=N/N=C/N(N)c1ccc(Cl)cc1/C=C/C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)OCCN(CC)CC)cc1"]
["102549588","CCCCN=C(O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O"]
["184710809","CCN(CC)c1ccc2cc(-c3ccc(/C(C)=C(\\C#N)C(O)=NCC(CC(O)CCO)OC)n3C)ccc2c1"]
["33825136","CCCCN(CC)c1cc(C)nc(Nc2c(Cl)cc(C#N)cc2Cl)c1[N+](=O)[O-]"]
["150376555","COc1ccc(N(C=O)c2ccc3c(c2)C=CC(=NNc2cc(C)c(N=Nc4cc(C)c(N=Nc5cc(C)c(N=Nc6ccccc6S(=O)(=O)O)cc5OCCCS(=O)(=O)O)cc4C)cc2C)C3=O)cc1"]
["175906667","C=NCc1ccc(OCCCN(CC(C)(C)CNC(=O)c2ccc(NC(=NC=N)OCC(F)(F)F)cc2)C(=O)OC/C(OC=O)=C(\\C)OC)c(Cl)c1.CN"]
["78719265","COc1cc2c(Oc3cccc(NS(=O)(=O)c4sc(C(N=C(O)c5cccc(Oc6ccnc7cc(OCCCN8CCN(C)CC8)c(OC)cc67)c5)C(=N)O)nc4C)c3)ccnc2cc1OCCCN1CCN(C)CC1"]
["MCULE-2992764878","CCCCN(CCCC)Cc1cc(=O)c(OCC(O)=NC(C)CC)cn1Cc1ccc(Cl)cc1"]
["56177078","CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cc(C)cc3s2)cc1"]
["45806786","CC[C@@H](CN=C(O)CN(C)Cc1ccc(C(=O)[NH2+]C)cc1)c1ccccc1"]
["179154500","CCC(CC(N=C(O)OCC(Cl)(Cl)Cl)c1ccccc1)NCC(O)=NC(CN=C(O)c1cc(C)cc(C)c1)c1ccc(Cl)c(Cl)c1"]
["200156346","CC1=C[CH-]C2=C(C)C3=[C+]C=C=CC3N(C)C2=C1.[Rb+]"]
["MCULE-4111867372","Cc1nccnc1C(=O)N(C)CC1(C)CCN(Cc2cnn(C)c2C)CC1"]
["70580787","Cc1ncn(C2C=C3C(=O)N(NS(C)(=O)=O)C(=O)N=C3C=C2[N+](=O)[O-])c1C"]
["61368131","CCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1cn(-c2ccccc2)nc1-c1ccccc1"]
["120779753","CCc1cc(C#N)c(C)n1C"]
["114865536","Cn1c(S)nnc1-c1cc(Br)cc(Br)c1"]
["52184191","CC1=C(O)C(CC[O-])C=C=C1.[Y]"]
["185574638","CN1c2c(ccc(N)c2Cl)SC1Cl"]
["184999272","Cc1ccccc1C1CC=NN1C"]
["10231861","Cc1c(N=C([O-])[C@@H]2CC=CC[C@@H]2C(=O)O)c(=O)n(-c2ccccc2)n1C"]
["80664425","Cc1nn(C)c(C)c1N=C([O-])C1CC=CCC1C(=O)O"]
["175516692","C=CCON=C(C)COC(=O)c1cc(N2C(=O)N(C)C(S)N(C)C2=O)c(F)cc1F"]
["169812313","CC1C(C)C2C3C4SC4C23C2(C(C)C1C)C(C)C(C)C(C)C21C(C)C2C(C)C3C(C)C3C21"]
["194436324","CC(C)(C)C.CC1C(C)C(C)C2C(C1C)C(CC13C(C)C(C)C(C)C(C)C1C1C(C)C(C)C(C)C(C)C1C3C)C1C(C)C(C)C(C)C(C)C12"]
["178241338","CCC1(C)C(C)C2C(C)C34C5C(C)C(C)C5C(C)(C)C13C24"]
["187789927","CC(=O)[C@H]1C2C(C)C2[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C"]
["50939577","CC1C(C)C2C3CCC1C1C(C)C(C)C24C3C2C3C5C6C7C8CC9C%10C%11CC%12C%13C(C)C(C)C7(C98C%10C%12%11)C67C(C)C(C)C%13C6C(C)C(C)C57C35C(C)C(C)C6C1C(C)C(C)C245"]
["180367598","CC1C2C1C1CC1(C1CC3=C1CC3)C2C"]
["179068807","CC1[C@@H]2C(C)[C@H](C)[C@@H](C)C2[C@H](C)C2[C@@H]1C(C)C2(C)C"]
["179421781","CC1C2C3[C@@H](C)C(C)C34C1C(C)(C)C4(C)C2C"]
["149666538","[B]C1(C)C(C)C(C)C(C)C1(C)CN"]
["184222244","CC1C(C)C(C)C23C(C)C(C)C2C1C3C"]
["180694995","CC1C2C(C)[C@@H](C)[C@H](C)[C@]3(C)[C@H]([C@@H](C)[C@H]3C)[C@H]2[C@@H]2[C@H]1C(C)[C@@H]2C"]
["48014119","C1=C[C@H]2[C@H]3[C@H]4[C@H]5[C@@H]6[C@@H]7[C@@H]8[C@H]9C%10[C@H]%11C=C[C@@H]%10[C@]8%10[C@@H]6[C@H]4[C@]24[C@]5([C@@H]7[C@@H]9[C@@]%11%104)[C@H]13"]
["183182377","FC(F)Sc1nnc(-c2nnc(SC=CC(F)C(F)F)s2)o1"]
["1299397","Cn1cc(-c2nnc(SC/C=C/Cl)o2)cn1"]
["52646548","CCOc1ccc(-c2nnc(SC(C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cc1"]
["83655431","Cc1cc(C)cc(-c2nnc(SCC(O)=NC(C)c3cccc(Cl)c3)o2)c1"]
["48987287","CCOc1ccccc1-c1nnc(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)o1"]
["173555302","Cc1cc(F)ccc1/C=C/c1nnc(Cc2cccc(C#N)c2)o1"]
["90033768","Cc1ccccc1-c1nnc(SC(C)C(O)=NCC(C)c2ccccc2)o1"]
["84169168","CSc1nnc(-c2nnc(C#N)s2)s1"]
["61248377","COc1cc(OC)cc(-c2nnc(SC(C)c3ccc(C(F)(F)F)cc3)o2)c1"]
["48150351","CC(Sc1nnc(-c2ccccc2)o1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1"]
["1453797","OC(CSc1nnc(-c2ccco2)o1)=NC(O)=NCc1ccccc1"]
["63196696","Cc1cccc(-c2nnc(SCC(=O)c3cc(C)sc3C)o2)c1"]
["161765405","O=C(CCl)CSCC(=O)CC=CS(=O)CSCC(=O)CCl"]
["62323531","CC1(CSCCNC(=O)O)C[N+](=O)C(O)=N1"]
["25341844","CCOC(=O)C=CCNC"]
["101712341","O=C(Cl)CS/C=C\\Cl"]
["166713964","CCOC(=O)c1cc(S)cc(CC(=O)CCl)c1"]
["134793806","CCSCCOC(=O)c1cc(Cl)ccc1F"]
["145437748","CSc1ccc(CC(=O)CCl)cc1SC"]
["91288347","CCOC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)ccc1O"]
["52573399","O=C(/C=C/CF)c1cc(Cl)ccc1O"]
["159270346","Cc1cc(Cl)cc(C(=O)CCl)c1Br"]
["159295411","CSc1c(F)ccc(C(=O)Cl)c1O"]
["184858233","CC=CS(=O)C(=O)[C@@H](N)CS"]
["154096810","C=CCC[C@H]1B2BBBBBBBB[C@]1(CCC=C)B2"]
["182442509","C=CCCC1C(=O)OC1=O"]
["184598009","C=CCCC1CC[C@H](C)O1"]
["94251080","C=CCCCN(C)C(CCC)CNC1CC1"]
["69525821","C=CCCC1OC1CO"]
["86532865","C=CCCC1CC(CC)CCC1C(=O)O"]
["194542130","C=CCCC1OC1CC"]
["96886724","C=CCCCN1C(=O)[C@H]2C(=O)N(CCCC=C)C(=O)[C@@H](C1=O)C21CCCC1"]
["96728135","C=CCC[C@@H]1OC(C)(C)O[C@@H]1C=O"]
["78235792","C=CCCCC/C(=C/CC)CCCC=C"]
["185985208","C=CCC[C@H]1[C@@H](CCC)[C@H]1CCOC(=N)O"]
["47045222","C=CCCC[C@@]1(C)CO[C@@H](OCC)C1"]
["173676806","[B+]C1([B+])[CH-][c-]2s[c-](C([O-])N(C)OC)[cH-][c-]2C([B+])([B+])C1([B+])[B+]"]
["85169342","CCN(C(C)COC)C1CCC(NC(C)C)(C(=N)O)C1"]
["121307578","COCC(C)N(C)CCCOC(C)C"]
["140634065","COCC(C)N(C)c1nnc(C)s1"]
["87193362","COCC(O)CN=C(O)CN(C)C"]
["34542890","CCC(=O)[C@@H](OC)[C@H](O)COC"]
["105656479","COCCN(CC1(CO)CCOCC1)[C@H](C)COC"]
["140452641","COCC(C)N(C)Cc1ccccc1OC1CCCC1"]
["127685227","COCC(C)CN=C(O)Nc1ccc(C(N)=O)c(C)c1"]
["98777197","COCC(C)N(C)c1ccc([N+]#N)c(C)c1.FP(F)(F)(F)F.[F-]"]
["99591771","COCC([O-])OC.[Al].[Na+]"]
["119103838","CCN(CC)CC(O)=NCC(O)COC"]
["53047929","C=C1NC2=NC(=O)[Si-](C)(C)=C2C2=C1[Si-](=C)(C)C(O)=N2.Cc1nc2c(c3c1[Si](C)(C)C(O)=N3)[Si](C)(C)C(O)=N2.[Mg+2]"]
["83476181","CCOC(=O)CNC1NN(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(=O)N=C1O"]
["28115265","CC(C)[C@H](N=C(O)c1nc2ccccc2[nH]c1=O)C(=O)N1CCC(Oc2ncc(Br)cn2)CC1"]
["27717289","Cc1c(C(C2=C(O)C(C)(c3ccccc3)OC2=O)c2ccccc2)[nH]c2ccccc12"]
["50916978","COc1ccccc1N1CCN(C(=O)C(N)c2c(C)n[nH]c2C)CC1(C)C"]
["188157512","CC1=C(C2=CC(=O)c3c(cc(O)c(O)c3Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O"]
["11509683","Cc1ccccc1-n1c(S[C@@H](C)C(=O)N2CCCC2)nc2cc(Cl)ccc2c1=O"]
["28254317","CCOC(=O)C1(C)C(O)=Nc2cc3c(cc21)NC(c1cccnn1)N3"]
["108854162","Cc1ccc(Sc2ccc(/C=C3\\SC(=O)N=C3O)cc2)cc1"]
["99755689","CCSC1=N/C(=C2/C=CC(=O)C=C2O)N/C(=C2\\C=CC(=O)C=C2O)N1"]
["195268546","C=C1N=C(c2cc(N(C(C)=S)C3(C(=O)CC)CCC3)ccc2O)Nn2c(CCC)nc(C)c21"]
["31547692","Cc1c(C(C2=C(O)[C@@](C)(c3ccccc3)OC2=O)c2ccccc2)[nH]c2ccccc12"]
["175736101","CCONCONC(CS)ONC(CO)ONCONC(CO)ONC(C)CC(C)C"]
["149671288","CC(C)CC(c1ccc(OC(C)ONCl)cc1)C(C)C"]
["183574868","CC(CO)N=C1[C+]=C(NC(C)CO)C1"]
["50707158","CCc1ccc(C(C)NC(CO)CC(C)C)cc1"]
["79830754","CCOC(=O)[C@H](CC(C)C)NNCCCN=C(O)OC(C)(C)C"]
["112913707","CCCCC(CCC)N=C(O)N[C@H](CC(C)C)C(=O)O"]
["137863250","COCCN=C(O)[C@H](CC(C)C)NC(C)c1nccn1C"]
["90518916","COC(=O)C(N)C(CC(C)C)N=C(O)OC(C)(C)C"]
["88586243","CCC1(C(O)=NCCC(C)C)CCCN1"]
["143768044","COc1ccc(C(=O)CCCC(O)=NC(CO)CC(C)C)cc1"]
["146959839","CCN(CC)C(CN=C(O)CCC(C)N)CC(C)C.Cl.Cl"]
["118818575","CCN=C(NCC(CCO)CC(C)C)NC(C)c1ccc(C)o1.I"]
["174134015","Clc1cc2c(cc1Cl)CC1=C(C=CC3C=C(/C=C\\1)Cc1cc(Cl)c(Cl)cc13)C2"]
["99299624","OC[C@@H]1C=C[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)C1"]
["25031263","O=C(O)C1Cc2cc(Cl)c(Cl)cc2C1"]
["MCULE-4611167769","Cc1cc(-c2c(C3CCCCC3)nn3c(Cl)c(C(=O)O)cnc23)ncc1Cl"]
["180599914","CC(C)(C)OC(=O)N1CCC(CCC2CC23CCc2cc(Cl)c(Cl)cc23)CC1"]
["21724066","O=C1CC(=O)CC(c2ccc(Cl)c(Cl)c2)C1"]
["155619124","COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(C)cc1O)[C@@H](C2)C3=O"]
["162607088","CCc1cc(Cl)c(Cl)cc1[C@@H]1CCN1"]
["107890505","OC1=NCCC[C@@H]1N=c1[nH]cnc2cc(-c3ccc(Cl)cc3)sc12"]
["125339475","CC(=O)CCN(C)C1c2cc(Cl)cc(Cl)c2CC1O"]
["66674405","Cl.Clc1ccc(NCC2CC2)cc1Cl"]
["53062216","CNC1CC=c2c(Cl)ccc/c2=C2\\C=CC(Cl)=CC2O1"]
["160756830","Cc1c(N2CCS(=O)C(C)(C)CC2)nn2c(C(F)(F)F)nnc2c1C"]
["CSSS15200290006","CN(C)C1CN(c2cc(C(F)(F)F)cnn2)CC12CC2"]
["196481701","Cc1nc([C@@H](C)C2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)(F)F"]
["117136844","O=C1N(Cc2ccc(Cl)cc2)C(=O)C2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)N1Cc1ccc(Cl)cc1"]
["175945996","Cc1cc(C)cc(CN2CCC(C)(C)CC2)c1"]
["165669787","CCC(C)N=C(O)CN1CCN(c2ccc3nnc(C(C)(C)C)n3n2)CC1"]
["3241326","O=[N+]([O-])c1ccc(/C=C/c2nn3c(C(F)(F)F)nnc3s2)cc1"]
["MCULE-7622037170","CC1(C(c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)F)c(N)c2I)CC1"]
["162468238","FC(F)(Br)c1nnc2n1CCNC2"]
["187431839","FC(F)(F)c1cc(C2CCN(Cc3cscn3)CC2)[nH]n1"]
["108706481","CC(C)OC(=O)c1cccnc1N1CC[S@@](=O)C(C)(C)C1"]
["76024705","FC(F)(F)c1cccc2sc(-c3nnc4c5c(c(Cl)nn34)OCC3(CC3)CO5)cc12"]
["179147588","C[NH2+]c1nnc(SC)[n+](C)c1SC"]
["182850467","CSc1nc(Br)sc1C"]
["187829963","C=Cc1nn(C(C)(C)C)cc1/C(=C\\C=N)C(C)(C)C"]
["44444510","CSc1nc(SC)c2cccc[n+]2n1"]
["181241618","COn1ncc2cnc(SC)nc21"]
["197667681","CSCCn1nnc2c(N)cccc21"]
["31422495","CSc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C"]
["174546047","C=C(/C=C\\C(OC)=C(C)C)c1nnc(SC)o1"]
["6018298","CCn1c(SC)nnc1[C@@H]1CCC[NH2+]1"]
["46311625","CSC1=NS(=O)N(C(C)C)C(=O)N1N"]
["26047140","CCc1c(I)nnc(I)c1C(CC)(CF)CBr"]
["84151139","CSC1=NCC(SC)=NC1"]
["172788904","C1=CNC2OC3(C=COC3)CNSC2=C1"]
["187838128","CCC1=CC=CNCC1CC"]
["121802523","Clc1ncc(CN2CCSC3COCCC32)s1"]
["48383689","O=C1CCC2C1=CC=CC2(C(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1"]
["174675783","Brc1ccccc1.C=C1SCNC1C(=O)C=O"]
["75262561","OC1=COc2cc3c(cc2=C1)NC=CC=3"]
["114484801","Cc1cc(F)c(Br)cc1NCC1CCC2(CCCCC2)O1"]
["183213869","O=C([O-])c1ncc2c(n1)C1(C=COC1)OC2"]
["43227082","C1=CC2(CO2)C2OCOC2=C1"]
["104881056","CC1=CC=C[C@]2(N)CNC[C@@H]12"]
["75391390","[C+]1=C(C2CC(C3NC=CO3)=NN2)[N-]NC1"]
["CNP0418158.3","C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)(C23)[C@@]12CC[C@@]1(C=COC1)O2"]
["178687037","c1nc(CSCSCCCCc2coc[nH+]2)co1"]
["139962956","COCC(N=C(O)CSCc1coc(-c2ccccc2)n1)c1ccc(C)o1"]
["82242712","O=[N+]([O-])C=Cc1cocn1"]
["139760888","CCCOCc1ccccc1CN=C(O)CSCc1cc(C)on1"]
["171785087","NCC1CCN(CCCc2ccccn2)CC1"]
["173779581","CC(C)C1=CCC=C(c2cocn2)C=C1"]
["134644510","Brc1ccc(CSCCCNc2ncccn2)nc1"]
["105711539","Cc1ccc([C@H](C)N=C(O)CSCc2coc(-c3ccccc3)n2)s1"]
["171387482","CN1[C@@H](CC(=O)N2CCC(c3cc[nH]n3)CC2)CC[C@H]1CN=C(O)c1cocn1"]
["127134790","N=C(O)c1ccc(F)c(N=C(O)CSCc2cscn2)c1"]
["120403773","Nc1cccc(CSCC(=O)N2CCCCC2)n1"]
["6924086","Cc1cc(COC(=O)CSCc2ccccc2)no1"]
["33648812","CCC[C]=C(CCC)C(=[C-]CCC)CCC.[Li+]"]
["78122879","CCCC(=O)C(CCC)C(=O)OCC"]
["81081969","CCCCC(O)=C1C(=O)N(CCCC)C(=O)C(C#N)=C1C"]
["78052903","CCC/C(C(=O)OCC(C)C)=C(\\CCC)C(=O)OCC(C)C"]
["107113689","CCC[C@H](CCC(=O)N(C)C)C(=O)O"]
["70265840","[CH2-][C-]=CC(C)=C=C(O)N(C)CC.[Y+3]"]
["88473441","CCCC(=O)CC(=O)c1cc(Br)ccc1F"]
["173868666","C=C(/C=C/Cl)CCC"]
["172639661","CCCC(=C=CCO[Si](C)(C)C(C)(C)C)CCC"]
["151176553","CCCC(=O)/C=C/C=C/C=C\\C#CC#CCCC=O"]
["65144649","CCCC(=O)C1OC1CCl"]
["91670238","CCCC(CCC=NO)=NO"]
["172427695","O.[C-]#[N+]n1c(=O)c2c(n(Cl)c1=O)n(Cl)c(=O)n2Cl"]
["26484503","Cc1c(Cl)c(C)n(O)c(=O)c1C"]
["27092195","N#Cc1cn(-c2ccc([N+](=O)[O-])cc2)c(=O)n(SC(Cl)(Cl)Cl)c1=O"]
["157980031","CC(C)(C)OO.O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl"]
["76287731","[C-]#[N+]C1(C(C)O)C(=O)N(C(C(=O)OC)=C(C)C)C1CC=C"]
["179387552","C=C(C)c1c(C)c2ccccc2n(C)c1=O"]
["32827027","O=c1[nH]c2c(=O)n(Cl)c(=O)oc2nc1Cl"]
["101505928","O=c1c2ccccc2c2cc(-c3cc4c5ccccc5c(=O)n5c(=O)c6ccccc6c(c3)c45)cc3c4ccccc4c(=O)n1c23"]
["172378531","[C-]#[N+]n1c(=O)c2c(n(C=CC)c1=O)n(C=CC)c(=O)n2C=CC"]
["173023577","O=c1nc(O)nc(O)n1Cl.[H-].[K+]"]
["190224655","O=C1OCC(C(=O)O)O1.O=C1OCC(C(=O)O)O1.O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl"]
["160906357","CCC(C)=O.O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl"]
["195471074","[3H]OC[SiH](C)O[Si](C)(CCCC(CC)[Si](C)(CCC[Si](C)(OC[SiH](C)O[3H])OC[SiH](C)O[3H])CCC[Si](C)(OC[SiH](C)O[3H])OC[SiH](C)O[3H])OC[SiH](C)O[3H].[3H]O[Si](C)(CCCC(CC)[Si](C)(CCC[Si](C)(O[3H])O[3H])CCC[Si](C)(O[3H])O[3H])O[3H]"]
["161492523","CCCCCCCCCC[SiH](C)O[Si](C)(CCCCCCCCCC)OO[Si](C)(C)C"]
["82287788","COC(=O)CC(C)CCC[Si](C)(C)C[SiH2][SiH](C[Si](C)(C)CCCC(C)CC(=O)OC)[SiH](C)C[Si](C)(C)CCCC(C)CC(=O)OC"]
["183691606","CCO[SiH](C)O[Si](C)(CCCI)OCC"]
["185393353","C[SiH](CCC(C(=O)[O-])c1ccccc1)O[Si](C)(C)C"]
["25324902","CCO[Si](C)(CCCC(NC(=O)O)C(C)O)OCC"]
["172252351","CO[Si](C)(CCCCCO[Si](C)(OC)OC)OC"]
["99517948","CCO[Si](C)(CCCNCC(CN)CCN)OCC"]
["166771513","CCO[Si](C)(C)CCCN(C)CCC[Si](C)(OCC)OCC"]
["178478579","C=CC(O)=NCCCC(CC)[SiH2]OC(C)(C)[Si](C)(C)CCCC"]
["78646217","C[SiH](CCC[Si](C)(C)O)O[Si](C)(C)C"]
["78193296","CCO[Si](C)(CCCN=C(O)OCCN(CCOC(O)=NCCC[Si](C)(OCC)OCC)c1ccc(N=O)cc1)OCC"]
["99831446","Fc1c(F)c(F)c(P(c2c(F)c(F)c(F)c(F)c2F)c2ccc[c-]2P(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1"]
["173563089","PC(c1cc(-c2ccccc2)[c-](-c2ccccc2)c1CP(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3)(C1CCCN1)C1CCCN1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1"]
["99478571","C[C@H](O)c1ccc[cH-]1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1"]
["83945185","Fc1c(F)c(F)c(-c2noc(-c3ccccc3)n2)c(F)c1F"]
["97533620","Fc1c(F)c(F)c(-c2ncn3ccccc23)c(F)c1F"]
["101267461","CC(C[B-](OCc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)[n+]1ccccc1)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["178447608","Fc1ccc(=II)[c-](F)c1F"]
["99628539","C[C@@H]([c-]1cccc1[C@H](O)c1ccccc1)N(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1"]
["171454389","Fc1cc(F)c(F)c(P(c2cccc(Cl)n2)c2cc(F)cc(F)c2F)c1"]
["94836055","O=C(C1=COCCC1)c1c(F)c(F)c(F)c(F)c1F"]
["120931143","N#CN1CC(c2cccc(F)c2)N=C1O"]
["73944903","O=[SH](O)=Nc1ccc(NC(O)=Nc2c(F)c(F)c(F)c(F)c2F)cc1"]
["172140343","O[B]OC1C[N-]C2[N-]CCN2C1B(O)O.[Mo].[Mo]"]
["162339480","CO[C@@H]1CCN(C(C)(C)C)C1=O"]
["55911849","O=C1[C@@H]2CCCN2[B-](O)(O)[C@@H]2CCCN12"]
["182623326","O[B]OB(O)C1CC1"]
["46187465","COC(=O)[C@H]1CN(N)CCN1B(C)O"]
["181867181","CO[C@@H]1C[C@H]1B(O)O"]
["172140344","O[B]OC1CNC2NCCN2C1B(O)O"]
["173427593","C[C@@H]1CCNCC2C[N-]CCN21.[Al+]"]
["173474673","O=CCC1N=C(O)C2CCCN2C(=O)CN=C(O)[C@@H](CC=O)N=C(O)[C@@H]2CCCN2C1=O"]
["608188","C[C@@H](N)C(=O)N1CCC[C@H]1B(O)O"]
["186960702","Cc1nc(CS(=O)(=O)N2CCCC2CC(=O)c2cnn(C)c2)no1"]
["200315263","O[B]OC1CN2CCCCC2N1"]
["178840047","Fc1c2c3c(c4c(F)c5c6c(c7c(F)c8c9c(c(c(F)c%10c%11c(c1n%10n57)C1C=CC%11CC1)[n+]8nn24)C1C=CC9CC1)C1C=C(C2=CC4CCC2c2c4c4nc5c7c(c8[nH+]c9c%10c(c%11[nH+]c%12c%13c(c(nc2n4n%119)n%12n[n+]58)C2C=CC%13CC2)C2C=CC%10CC2)C2C=CC7CC2)C6CC1)C1C=CC3CC1"]
["101384593","Fc1ccc(-c2cc(-c3ccc(F)cc3)nc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)n2)cc1"]
["175671806","COc1ccc(-n2nc(C3CCNCC3)cc2NC(=O)C2=C3NCC(Br)=CC3CCN=C2)cc1"]
["28141784","COc1c(N2CCCC2)c(F)cn2c(=O)nc(O)c(C3CC3)c12"]
["178511111","CCCCOC1C2C=CC(c3c2c2nc4c5c(c6nc7c8c(c9nc%10c%11c(c([nH+]c3n2[nH]n79)n%10n64)C2C=CC%11C(OCCCC)C2OCCCC)C2CCC8C(OCCCC)C2OCCCC)C2C=CC5C(OCCCC)C2OCCCC)C1OCCCC"]
["180908853","OC(=NC1C=C(C(F)(F)F)CCC1)C1=CC=CC2CC(OC3CC=NN3)=CC=C12"]
["175099605","CC(C)(C)C1=CC2CCC3C(c4ccc5cc(Br)ccc5c4)=CC=c4ccc(c2c43)=C1"]
["184484594","C=CC(=O)N1CCN(c2nc(OC3CN(C(C)C)C3)nc3c(F)c(C4C(F)=CC=CC4O)c(Cl)cc23)CC1"]
["180880331","C1=CC2=C(B(c3ccccc3)c3ccc4c(c3)C3CC(n5c6ccccc6c6c5ccc5c7cc(B(c8ccccc8)c8ccccc8)ccc7n(-c7ccc8c(c7)c7cc(B(C9=CCCC=C9)c9ccccc9)ccc7n8-c7ccccc7)c56)=CC=C3N4c3ccccc3)[C@H]2C=C1"]
["166818678","CCc1cc(F)c(-c2ncnc3cc(N4C5CCC4COC5)ccc23)cc1Cc1nc(CO)cs1"]
["179246605","Cn1c2nc3c4c(Cl)ccc(Cl)c4c4[nH+]c5c6cc(Cl)c(Cl)cc6c(nc6c7c(Cl)ccc(Cl)c7c(nc1c1cc(Cl)c(Cl)cc12)[n+]6nn34)n5C"]
["179023558","C1=CC2c3cccnc3N(c3ccc4sc5ccc(-n6c7ncccc7c7cccc(-c8ncsc8-c8ncc[nH]8)c76)cc5c4c3)C2C(c2ncsc2-c2ncc[nH]2)=C1"]
["178517074","FC1=C(F)C(F)=C2C3C1=IC=C1C(F)=C(I)C(I)=C(F)[C-]1[N+]3=C1[N-]c3c(F)c(F)c(F)c(F)c3N21"]
["185238361","Fc1cc(I)ccc1N1CNc2c1c(F)c(F)c1ncoc21"]
["101028436","[O-]/C(=C\\[n+]1ccccc1)c1c(F)c(F)c(F)c(F)c1F"]
["MCULE-4510743388","Oc1cc(I)n(-c2c(F)c(F)c(F)c(F)c2F)n1"]
["MCULE-7480667819","O=Cc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(C(F)(F)F)c1I"]
["46420807","Nc1cnn(-c2c(F)c(F)c(F)c(F)c2F)c1"]
["10150376","CC(C)[C@H]1C[C@@H](F)c2nn(-c3c(F)c(F)c(F)c(F)c3F)c[n+]21"]
["94318280","CC1C(=O)CCN(c2c(F)c(F)c(F)c(F)c2F)C1C"]
["91393651","FC1=C(F)C(N2N=C(c3ccccc3)N(c3c(F)c(F)c(F)c(F)c3F)N=C2c2ccccc2)=C(F)C(=[F+])C1=[F+]"]
["MCULE-8100723138","COC(=O)c1c(SC)nn(-c2c(F)c(F)c(F)c(F)c2F)c1Cl"]
["MCULE-4988534856","O=[N+]([O-])c1c(I)nn(-c2c(F)c(F)c(F)c(F)c2F)c1C(F)(F)F"]
["55801085","OC1(C2CC2)CN(c2c(F)c(F)c(F)c(F)c2F)C1"]
["180914823","SC1=NNNN1c1cccc(NCCC(CCNc2cccc(-n3nnnc3S)c2)CCNc2cccc(-n3nnnc3S)c2)c1"]
["133320324","OC1=Nc2ccccc2N(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1"]
["74384337","Fc1cc(-c2cn[nH]c2)cn2c(S)nnc12"]
["117587695","O=C(CNCC(c1ccc(Cl)cc1)N1CCCC1)c1cccc([N+](=O)[O-])c1"]
["124316417","CSc1nnnn1-c1cccc(N=C(O)Cc2cc(C)on2)c1"]
["12440048","O=C(CCOc1cccc(Cl)c1Cl)OCc1nnnn1-c1ccccc1"]
["87606134","CCCOC(=O)c1cccc(NCC)c1"]
["109644982","C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(O)=Nc1nc2ccccc2s1"]
["143586906","CCc1nnnn1-c1ccccc1N=C(O)CC(F)(F)F"]
["47590868","CCC(C)CNc1cccc(O)c1"]
["146095244","CNCCN=C(O)c1nnn(-c2cccc3cnccc23)c1C.Cl.Cl"]
["CSSS20521985339","O=Cc1cccc(-n2cc(-c3ccc(CO)o3)nn2)c1"]
["170651295","CN1C=CN(c2cc([N+]3=C=[N+](C)c4ccccc43)c([N+]3=C=[N+](C)C=C3)cc2Oc2cc([N+]3=C=[N+](C)C=C3)c(N3CN(C)c4ccccc43)cc2N2C=CN(c3cc(-c4cccc(-c5ccc(F)nc5F)n4)c(F)nc3F)C2)C1"]
["45134973","COc1ccc(-c2nn(-c3ccccc3)cc2C(O)=NCC(C)N(C)C2CC2)c(OC)c1"]
["152632586","COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)C2=C1CC(C)(C)CC2=O"]
["MCULE-5500788835","COc1cc(-c2ccc(F)nc2F)ccc1CC(O)=NCC1CCN(C)CC1"]
["MCULE-3440764593","CCn1nccc1-c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1OC"]
["MCULE-4394417505","COc1ccc(-c2cccc(F)c2OC)cc1C(=O)N1CCN(c2ccccc2F)CC1"]
["MCULE-2921537071","COc1cccc(OC)c1C(O)=Nc1cccc(C)c1-c1ccc(F)nc1F"]
["94317884","CCOc1ccc2c(c1)CC(C(=O)N(C)C1CCN(c3ccccc3F)C1=O)CO2"]
["MCULE-2616275363","CCOc1ccc(-c2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2F)c(C)c1"]
["MCULE-5634517293","CC1CCC(C(=O)N2CCc3c(cccc3-c3ccc(F)nc3F)C2)CC1"]
["171995133","Cc1ccc2c(n1)oc1c(N3C=CN(C)C3)cc(C3N(C)c4ccccc4N3c3cccc(N4CN(C)c5ccccc54)c3)cc12"]
["151500913","COc1ccc(-c2cccc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)cc1"]
["179372544","C1[C-]2CC34[I]C5C6[I]C(C1[C-]26)C3C1CCC5C14"]
["96568051","[C-]#S[C+]1C2(C)CCC(C2)C1(C)C"]
["184512837","C1[C-]2[C-]3C4CC34C34CC35C3C6C7[I]C4C3C5C3C6C13[I]C27"]
["178143210","CC12C3C4CCC5C1C4CCC3C52"]
["5962463","ClC1(Cl)[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@H]3[C@H]2C3(Cl)Cl)C1(Cl)Cl"]
["178454893","C[I]C12CCC([I]1)[C@H]1C[CH-][C-]1C2"]
["61871713","ClC1(Cl)[C@@H]2[C@@H]3[C@H](CC[C@@H]21)C3(Cl)Cl"]
["178982403","CC12C3CCC3C3CCC31C1C3CCC1C32"]
["70489060","ClC12[C@@H]3[C@H](Br)[C@H]4CC[C@@H]3C3C4[C@@]1(Cl)CC[C@]3(Cl)[C@@]2(Cl)Br"]
["179895345","CC1CCC2(S)C3C4CCCC3C2C14"]
["110787168","CC12[C@@H]3C4CCC5[C@H]([C@H]41)C2(C)[C@@H]53"]
["96528022","Cl/C(c1ccccc1)=[N+]1/[C@H]2C[C@@H]3CC[C@H]2[C@@H]3[C@@]1(Cl)c1ccccc1"]
["194394373","CC(C)(COP(=O)([O-])[O-])COP([O-])(=S)OC(C)(C)C.CC(C)(COP([O-])(O)=S)COP(O)(=S)OC(C)(C)C.CC(C)(CO[P+](=O)O)COP(=O)([S-])OC(C)(C)C"]
["180161584","CC(I)C(C)SCCNC(O)CCNC(O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C"]
["185117393","[O-]c1ccc(COP([O-])(O)=S)nn1"]
["183706577","CCCC(N=C([O-])OC(C)(C)C)OC(=O)OOC(=O)O"]
["185162736","CCCCC(Cl)(Cl)OP([O-])(=S)Cc1ccccc1"]
["175853487","CCC(CC)(O[P+](=O)O)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1.CCC(CC)(c1cc(C(C)(C)C)c([OH2+])c(C(C)(C)C)c1)P(=O)(O)O"]
["97069813","C=C[C@H](c1ccc(CP(=O)(O)OC(C)(C)C)cc1)[C@H](CC(=O)OC(C)(C)C)C(=O)O"]
["70047916","C#CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)OC(COC(=O)C#CC#CC#CC#CC#CC)COP(=O)([O-])[O-].[Na+].[Na+]"]
["61927269","CC(C)OP(=O)(OCCCCCCCCCCO)OC(C)(C)C"]
["107991154","CCC[C@@H](C(=O)OC(C)(C)C)[C@@H](N)C(=O)O"]
["77768232","CC1CC2[NH2+]C3C(O)=NC(O)=[NH+]C3N(CC(O)C(O)C(O)CO[P+](=O)O)C2CC1C"]
["198689217","CN(C(=O)OC1CC/C=C/CCC1)C(C)(C)OP(C)([O-])=S"]
["99348621","C1=CN2C=Cc3cc4[o+]occ4cc3C2=CC1"]
["174256338","CC(=O)c1cc(N=C(O)C2=CCC=CN2C)cn1C"]
["174983719","CCn1ccc(-c2cnc3cc2/C=C\\CC=C3Nc2ccc3c(c2)CCCCC3)c1"]
["100255744","C1=CN(C2=CNOC2)SC1"]
["174074289","CCN1CCCC(C2=c3oc(O)nc3=CCC=C2)C1"]
["96200784","CC(NC1CC(C)N(C2CC2)C1)c1cc2ccccc2o1"]
["100586373","O=C1N=C(O)/C(=C/c2cc3cncc(C4=CCN(S(=O)(=O)C5CC5)CC4)c3o2)S1"]
["174386680","C1=Cc2ccnn2C=CC1"]
["51885638","O=S(=O)(Nc1ccc2oc(O)nc2c1)N1CCNCC1"]
["119322679","C[C@@H](Nc1c(N[C@H]2CCCC[C@@H]2N(C)C)c(=O)c1=O)C1=C(P(c2ccccc2)c2ccccc2)C=CC1"]
["60077541","C1=CN(c2ccncn2)C=CC1"]
["187057635","CC1=CC(=C2c3ccc(C4CC[Si](C)(C)CC4)cc3C=CN2C)C(C)=C(C)C1=[F+]"]
["171915074","CCC(C)[Si]1O[Si](C(C)CC)=[O+][Si](C(C)CC)=[O+][Si](C(C)CC)=[O+][Si](C(C)CC)=[O+][Si](C(C)CC)=[O+][Si-](C(C)CC)O[Si-](C(C)CC)O[Si-](C(C)CC)O[Si-](C(C)CC)O[Si-](C(C)CC)O1"]
["52921790","CCC(C)[Si]1O[Si](C(C)CC)=[O+][Si](C(C)CC)=[O+][Si-](C(C)CC)O[Si-](C(C)CC)O1"]
["171956914","CCC(C)[Si]1[Si](C(C)CC)=[Si](C(C)CC)[Si](C(C)CC)=[Si]1C(C)CC"]
["98035876","CCC(C)N=c1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2F)c(O)n1"]
["51861001","CCC(C)[Si]1=[O+][Si](C(C)CC)=[O+][Si-](C(C)CC)O[Si-](C(C)CC)O1"]
["165224121","CCC(C)N(C(C)CC)[Si](C)(C)O[Si](C)(C)O[Si](C)(C)N(C)C"]
["172571706","CCC(C)[Si]1O[Si](C(C)CC)=[O+][Si](C(C)CC)=[O+][Si](C(C)CC)=[O+][Si](C(C)CC)=[O+][Si-](C(C)CC)O[Si-](C(C)CC)O[Si-](C(C)CC)O[Si-](C(C)CC)O1"]
["99781689","CCC(C)[Si]1O[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+]1.ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl"]
["161724745","CC[Si](C)(C)O[Si]1O[Si](O[Si](C)(C)CC)=[O+][Si-](O[Si](C)(C)CC)O1"]
["181906962","CCC(CC)COC(=O)OCN(N=[N+]=[N-])NCOC(=O)OCC(C)C(C)C"]
["171915091","CC(C)(C)[Si]1=[O+][Si](C(C)(C)C)=[O+][Si](C(C)(C)C)=[O+][Si](C(C)(C)C)=[O+][Si-](C(C)(C)C)O[Si-](C(C)(C)C)O[Si-](C(C)(C)C)O[Si-](C(C)(C)C)O1"]
["172571712","CC(C)(C)[Si]1O[Si](C(C)(C)C)=[O+][Si](C(C)(C)C)=[O+][Si](C(C)(C)C)=[O+][Si](C(C)(C)C)=[O+][Si-](C(C)(C)C)O[Si-](C(C)(C)C)O[Si-](C(C)(C)C)O[Si-](C(C)(C)C)O1"]
["186041263","CC1C=C(N=[N-])C=CC(N=NC2=C3C=CC4C=CC(=C(N=CI=C[N-]C5=CC(C)C=C(N=[N-])C=C5)C=C2)C34C)=C1.[Al+].[Al+]"]
["184229819","CC1C=NC2=NNC=CC(=[N-])[C@@]21C.[Al+]"]
["74115591","CC1C=C(C2(C)OCCO2)C=CC1C(=O)C(C=O)C1CCCCC1"]
["183428947","CC1=CC(Br)(C=O)C(ON=[N+]=[N-])C=C1"]
["174728258","CC1C=Cc2cc(S(=O)(=O)O)c(N=NC3=C/C(C)/C=C\\C(C)(C)/C=C\\3)c(O)c2C=C1"]
["149619253","CCCC1(C)C(=CC=O)C=CC2=C1C=CC1(C)C3CCC(OC4(OC(C)(C)C(C)C4O)C3C)C21"]
["166241973","CC1SCC(C)(C)N1C(O)=Nc1ccccc1"]
["181851044","CC1C=C(N=[N+]=[N-])C=CC1(C)N"]
["194171487","CC1C(C)(C)C2=C(C(C=O)CCC2)C1(C)C.CC1C(C)(C)C2=C(CCC=C2)C1(C)C"]
["30789403","CC1CC[C@](O)(C(=O)O)[C@@]1(C)C[C@H](O)C1CCCC2=CC(=O)/C(=C\\O)C[C@@]21C"]
["181683304","CC1C=C(N=Nc2ccccc2)C=CC1(O)N=Nc1ccccc1"]
["47437326","CC1CC(C)(C)N(C)c2cc(Cl)c(C=Nc3cccc([N+](=O)[O-])c3)cc21"]
["179900462","O=[N+]1CC2C3CC4C5C6CC7C8CC9C%10C1C26C%105C74C389"]
["180046616","CC12C3CC4C5C6CC7C8CC9CCC%10C%11CC3C%101C%111C2(C)C42C75C(C)(C986)C12C"]
["179360461","C[C@]12C3CC4CC15C1CC(C45)C24C1CC34"]
["178443211","CC1C23C4CC5C6C7CC8C9CC%10(C)C2CC2C4C53C13C26C78C9%103"]
["178877323","CC12C3CC4C5C6CC7C1CC1[C@@H]8CC3C48C51C762"]
["179233856","C1C2C3CC4C5C6CC7C8CC9C%10C1C26C5(C794)C83%10"]
["178281971","CC12C3CC4CC5C6CC7C1CC3C76C452"]
["178386412","C1C2C3C1C1CC4C5CC6C7CC8C2C63C14C785"]
["184424229","CC1C2(C)C3CC4C5CC6C7C8CC9C%10C%11CC%12C3C23C%11%12C6%10C32C97C58C412"]
["180509512","C[C@@]12C3CC4C5CC6C7CC8C9CC3C1C64C92C758"]
["179908591","C1C2C3C4C5C6C4C3C3CC4C7C8C9CC%10C%11C5C6C%11C5CC6C%11C%12C1C29C71C34C56C%111C%108%12"]
["178289285","CC1CCC2CC3C4CC5C6C7C1C18C(C)C(C)C1(C)C1(C)C(C)(C245)C36C781"]
["174004105","[B+]=C1[C-]=CCCC1=c1c(=c2ccccc2=[B+])c(C2=[C-]C=[C-]CC2=[B+])c(C(=[B+])[C-]=[C-][CH-]CC)c(=c2ccccc2=[B+])c1=c1ccccc1=[B+]"]
["108036510","C[C@H]1CC[C@@H](CO)CN1Cc1ccccc1OC1CCCC1"]
["48955444","CCOC(O)=N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21"]
["23253041","CCc1ccc(N2CSC3=C(C#N)C(c4c(F)cccc4Cl)CC(=O)N3C2)cc1"]
["8521498","CCc1ccc(C(=O)[C@H](C)OC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1"]
["174382282","CCC(CC)=C1C2=[C-]C=CC=C=C2O[CH-]c2ccccc21.CCO[C-]=O.[K+]"]
["MCULE-9573672729","COCCCN1CCN(C(=O)c2cccc(C)c2-c2ccccc2OC(F)(F)F)CC1"]
["75401360","CC[C@@H]1C[C@H](OC(=N)O)C[C@@H]1c1nnc2cnc3[nH]ccc3n12"]
["149054634","COCCN1CCc2ccccc2C(C)C1"]
["60298514","CCCOc1ccccc1OCCNCCc1ccsc1"]
["77504186","CCCOC(=O)c1c(N=C([O-])C2C3C=CC(C3)C2C(=O)O)sc(C)c1-c1ccccc1"]
["121827923","CCc1ccc(C(O)=NNC(O)=NCCN=C(O)c2ccccc2Cl)cc1"]
["22119939","CC[N+](CC)=C1C=C([NH2+]c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)[NH+]=C(C)[NH2+]1"]
["23942165","Cc1noc(C)c1CS(=O)(=O)C(C)c1nc(C(C)(C)C)no1"]
["119668686","COC(=O)c1ccc(N(CCNS(=O)(=O)c2c(C)noc2C)C(C)=O)cc1"]
["18469428","CCCc1c(C(O)=N[C@H](C)c2c(C)noc2C)[nH]c(C)c1C(C)=O"]
["8650287","CC(O)=Nc1cc([N-]S(=O)(=O)c2c(C)noc2C)ccc1Cl"]
["62499833","COc1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1S(=O)(=O)N1CCCC1"]
["MCULE-8412008668","Cc1ncccc1-c1ccc(N=C(O)CS(C)(=O)=O)cc1F"]
["141432863","COc1cc(C)cc(CNS(=O)(=O)Cc2noc3ccccc23)c1"]
["105946637","Cc1noc(C)c1C[C@@H](C(=O)O)c1ccccc1F"]
["147058057","CCN[C@H](C)CNS(=O)(=O)c1ccc(F)cc1C"]
["69309997","Cc1noc(C)c1CNS(=O)(=O)N(C)Cc1ccccc1Br"]
["7610922","Cc1noc(C)c1Cc1ccc(CC(O)=NCC(C)C)o1"]
["48361977","CC1=C(C)C(=[Si](C)c2c(C)c(C)c3c(c2C)C(C)(C)c2c(C)c(C)c(C)c(C)c2-3)C(C)=C2[C]1c1c(C)c(C)c(C)c(C)c1C2(C)C.[Re]"]
["193853062","Cc1c(C)c(C)c2c(c1C)C=CC2(C)C.II"]
["191030923","CC1=C(C)c2c(C)c(C)c(C)c(C)c2C2(C=CSc3cc4c(cc32)C=CC4(C)C)c2c(C)c(C)c(C)c(C)c21"]
["190892726","C=S1(=O)C=Cc2cc3c(cc21)C1(C=C3)c2c(C)c(C)c(C)c(C)c2-c2c(C)c(C)c(C)c(C)c2-c2c(C)c(C)c(C)c(C)c21"]
["193899345","Cc1c(C)c(C)c2c(c1C)C(=O)c1c(C)c3c(c(C)c1C2(F)F)C(F)(F)c1c(C)c(C)c(C)c(C)c1C3(F)F.Cc1c(C)c(C)c2c(c1C)C(F)(F)c1c(C)c3c(c(C)c1C2(F)F)C(F)(F)c1c(C)c(C)c(C)c(C)c1C3(F)F"]
["26260460","C=C1OC(C)(C(=C)C(=O)O)c2c(C)c(C)c(C)c(C)c2C1=C"]
["173961578","Cc1cc2c(cc1C)C(C(=O)O)(C(=O)O)c1c(C)c(C)c(C)c(C)c1-2"]
["171586948","Cc1c(C)c(C)c(C2(N=C=O)N=C=N2)c(CN=C=O)c1C"]
["MCULE-5829664240","COC(=O)c1cc(F)c2c(c1)C(C)(C)C(C)=N2"]
["50784773","Cc1c(C)c2c(c(C)c1Cl)CC2(Cl)Cl"]
["191179088","C.C=C1OC(C(C)C)(C(C)C)c2c(C)c(C)c(C)c(C)c21.CC(C)=CC(C)C"]
["194317041","Cc1c(C)c(C)c2c(c1C)C(=O)c1c(c(O)c3c(O)c4c(C)c(C)c(C)c(C)c4c(O)c3c1O)C2=O.Cc1c(C)c(C)c2c(c1C)C(F)(F)c1c(F)c3c(c(F)c1C2(F)F)C(F)(F)c1c(C)c(C)c(C)c(C)c1C3(F)F"]
["175895288","CN1C2=C(C3=C4CC[C@@H](CC3C3=C5CC[C@@H](CC3C3=C6CC[C@@H](CC3)N6C)N5C)N4C)CC[C@@H]1CC2"]
["75631977","CN1[C]2CCCC1C2"]
["184461084","C=C1C2=C3CCC3C#CC1CC2"]
["180512753","C[C@@H]1CC2CCCC(C1)N(C)C2"]
["158278381","CC(C)[C@@H](C)C(=O)N1CCN2C(=O)CC[C@H]2C1"]
["170508825","CS/C1=C/C(=O)CC[C@@H](SC)c2c1c1ccccc1n2C"]
["180362430","C[I]c1ccccc1C1SC2=C(CCCC([Si-])C2)N1C"]
["87128479","CC1CC(N2CCC(=O)C2)CCN1C"]
["88369878","CNC(C)C(=O)N1CCN2C(=O)CCC2C1"]
["111280635","CN(CCOCC1CC1)c1cc(Cl)nc2ncnn12"]
["69722707","CN1C(=O)C2(C)CC1CCC2=O"]
["178736649","C[C@H]1C[C@@H]2C3=c4c(cn(C)c4=CCC3)CC2N(C#N)C1"]
["97119136","C=C1CO[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]3OCC(=C)[C@@H]3[C@H]12"]
["176061192","COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@H]1O[Si](C)(C)C(C)(C)C"]
["32283157","Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(COC(=O)C(C)(C)C)c1=O"]
["70572413","CCC1(CO[Si](C)(C)C(C)(C)C)OC1(C)C1CCCCC1"]
["90788939","COc1ccc(COC(CO)C2C=CC(O[Si](C)(C)C(C)(C)C)C(OCc3cccc(OC)c3)C2)cc1"]
["77874365","CC(O[Si](C)(C)C(C)(C)C)C1C(=O)N2CCC=CCC[Se]C12"]
["26250721","CC(C)(C)[Si](C)(C)OC(C#CC1C(O[Si](C)(C)C(C)(C)C)CCC2C(=CCCCC(=O)O)CC21)C1CCCCC1"]
["156162436","CC(C)(C)[Si](C)(C)OCCN1CCO[C@H](c2cccnn2)C1"]
["182651996","CC(C)(C)OC(=O)C1Cc2c(O)ncnc2CN1"]
["148645184","CC(C)(C)C[C@]12CO[C@@H](C1OC(C)(C)C)[C@H](n1ccc(O)nc1=O)O2"]
["32407436","COc1ccc(C2(O)[C@H]3OC(C)(C)O[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)N2C(=O)OCc2ccccc2)cc1"]
["167367214","CC(C)(C)[Si](C)(C)O[C@@H]1OC2COC(c3ccccc3)O[C@H]2C(O)C1N=C(O)OCc1ccccc1"]
["157934628","C(CSC(CSC1CSC1)C(CSC1CSC1)SCCSC1CSC1)SC1CSC1.C(CSC1CSC1)SCC(CSC1CSC1)(CSC1CSC1)SCCSC1CSC1"]
["89580797","CC(N)CCC1CSC1"]
["60007893","CC(C)NC(C)(CO)CCCCSC1CCCC1"]
["162422859","CC(N)CN(C)C1CSCC(C)(C)C1"]
["66496431","CCC(CC)(CBr)CSC1CCOCC1"]
["56922985","CC(N)(C#N)CSC1CCCC1"]
["157235156","C[C@@H]1C[C@H](C)C[C@@H](SC[C@H](C)N)C1"]
["156463106","C[C@@H](C#N)CSC1CCCC1"]
["95312251","FC(F)CNCCSC1CCNCC1"]
["50249805","CCNC(C)(CCSC1CCOCC1)C(=O)O"]
["177117897","CC1SC1[Te]CC[Se]CC(CSCC[Te]CC1CS1)(CSCC[Te]CC1CS1)C[Te]CC1CS1"]
["80038606","CCOC(=O)C(CSCCSC1CCCC1)NC(C)C(=O)N1CCCC1C(=O)OC"]
["179027271","[C+]1=CC=CN2CC(N3C=CC=C[C-]3c3ccccc3C3[Cl+]C4([Cl+]3)c3ccccc3[C-]3C=CC=CN3Cc3ccccc3C3[C+]=CC=CN34)c3ccccc3C12"]
["149779733","Cc1ccc([C@@H]2C=NN3Cc4ccccc4[C@@H]23)cc1"]
["104087801","Cc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(=C4C=CC=CC4=O)NN23)c1"]
["78872295","CCC[C@]12C[C@@]34SS[C@](C)(C(=O)N3[C@H]1Nc1ccccc12)N(C)C4=O"]
["197879567","CC1(C)CCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)O1"]
["170541998","Cc1ccc(S(=O)(=O)N2Cc3ccccc3[C@@H]3OCC[C@@H]3C2)cc1"]
["163788813","CC(C)(C)n1ncc2c(O)nc(N3CCC(O)c4ccccc4C3)nc21"]
["MCULE-7459122933","CC(O)=Nc1cccc(Nc2cc(N3CC(=O)N4CC(C)(C)c5ccccc5C4C3)nc(C(C)C)n2)c1"]
["49975535","CC(C)NCc1cccn1CC1OCCc2ccccc21"]
["159227400","CC(O)=Nc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1"]
["195599380","C[C@H](O)CC(=O)N1Cc2ccccc2C1(C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(C)(=O)=O"]
["103073324","CN1Cc2ccccc2[C@@H]([Si](C)(C)C)C1"]
["172049420","BrC1=CC=C=C2C3=NC=C4[C-](C3=C=CC21)C1CC2CC(CC4C2)C1.[Ir]"]
["8661220","OC(=NN=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccc(Cl)c(Cl)c1"]
["62822344","CC1=N[C-]2C(=C=CC3C2=C=CC=C3F)S1.[Ir]"]
["170462711","c1ccc(C2=NO[C@@H]3[C@H]2C(=C2C4CC5CC(C4)CC2C5)[C@@H]2ON=C(c4ccccc4)[C@H]32)cc1"]
["79100744","CC1C=C[CH]C2=CC=CC=C=C21"]
["164938340","Nn1c(SCC(=O)C2C3CC4CC(C3)CC2C4)nnc1-c1cccc(Br)c1"]
["186824731","O=C(O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1C(=O)O"]
["29606340","Clc1ccc(Cl)c2c1CN1C(=N2)C2CC3CC(C2)CC1C3"]
["96518659","O=S=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2"]
["172049592","CC1=C=C2C(=NC=C3[C-]2C2CC4CC3CC2C4)C2=C=CC(C)=NC12.[Ir]"]
["79814704","C[SiH](C)Oc1c(C(CCCl)=C2C3CC4CC(C3)CC2C4)cccc1C(C)(C)C"]
["74011155","Brc1cccc(OC2C[C@H]3CC[C@@H](C2)C3)n1"]
["174657022","[CH-]=c1c(N(C)c2cncc(C(C)(C)c3cncc(N4[C+]=Cc5c(C#N)cccc54)n3)n2)cccc1=C=[N-].[Pd]"]
["144289850","CN(Cc1ccc(F)cc1)C(=O)CN1CCN(c2ccccc2C#N)CC1"]
["95900875","COCCN(CCO)c1cccc(C#N)c1N"]
["85017726","Cn1ncc(C#N)c1NS(=O)(=O)c1cc(F)ccc1F"]
["176289164","Cc1c(C#N)cccc1[C@@H](C)Nc1nnc(C)c2cc3c(cc12)N(C(C)C)CC3"]
["117449407","N#Cc1ccccc1N=C(O)CN1CCCCS1(=O)=O"]
["185694677","COc1c(C#N)cccc1Cn1ncc(=NC(=O)Cc2ccc(C(C)(C)C)cc2)[nH]1"]
["MCULE-7739270633","COc1cccc(C#N)c1-c1cnc2c(c1)CCN2C(=O)c1nnc(C)o1"]
["MCULE-1038355721","COc1cccc(CC(O)=Nc2cc(-c3cccc(C#N)c3C)cnc2OC)c1"]
["179322820","C=CCOC1C[C@@]2(CCOc3ccc(Cl)cn3)O[C@]1(C)C1C(=O)N(c3ccc(C#N)c4ccccc34)C(=O)C12"]
["MCULE-4125075190","CN(CC1(C)CCN(Cc2cncc(F)c2)CC1)C(=O)c1cn2ncccc2n1"]
["MCULE-4373520865","Cc1ncc(-c2ccccc2C(F)(F)F)cc1C(O)=Nc1ccccc1C#N"]
["91002817","P1P2=[As]P3P([As]=2)[As]13"]
["166813587","[S]P1PSS1=S"]
["79019912","O=Np1[pH][pH][pH][pH]1"]
["180775660","[O-][C-]1[OH+]I=[N+]1I"]
["180244740","FC1(F)CC(I)CC(F)(I)C1I"]
["79740006","NNO[N+](=O)ON[NH3+]"]
["86422930","CC(C)CCOc1cccc(NN)c1[N+](=O)[O-]"]
["173309940","C[Si](C)(C)ON[NH3+]"]
["26321443","NN[C]=O"]
["185703045","NNOC(=NO)ONN"]
["185800385","CC(C)CC(C)[N+](=O)C(C)N"]
["183284005","N=C(NO)N(N)C(=O)O"]
["67248051","COC(=O)C(C)NN"]
["86425347","CCCCOc1cc(NN)cc([N+](=O)[O-])c1"]
["100208257","COC(O)=NC(C)[N+](C)=O"]
["178928085","CO[N+](=O)I(C)I"]
["79661790","CCCO[N+](=O)OCCC.N"]
["109014231","O=C1[C@@H](CN(CCO)CCO)[C@H]2[C@@H](N1CN(CCO)CCO)N(CN(CCO)CCO)C(=O)N2CN(CCO)CCO"]
["93578114","O=C(CN(CCO)CCO)C1CCCC1"]
["120132843","NC1CCCCC1CN(CCO)CC(F)(F)F"]
["15162980","CCN1C(=O)N(CC)[C@H]2NCN[C@@H]21"]
["90551805","CN1C(=O)C2C(=NC([N+](=O)[O-])=[N+]2CC(C)(CO)CO)N(C)C1=O"]
["MCULE-8049069964","Cc1cccc(Cn2cc(OCC(=O)N3CCC(C)CC3)c(=O)cc2CN(C)CCO)c1"]
["94015498","CCN(CCCO)CC(=O)N1CCC(C(=O)OC)CC1"]
["158036284","CCOC(C)=O.Cc1ccccc1.OCCN(CCO)CCO"]
["114388071","CNc1cn2ccnc2c(N(CCO)CC(F)(F)F)n1"]
["111037446","O=S(=O)(c1ccc(F)cc1F)N(CCO)C1CCC1"]
["165562126","CN(CCO)c1nc2n(C(C)(C)C)[nH]cc-2c(=O)n1"]
["62146952","CC(C)(C)[C@H](N)C(=O)N(CCO)C1CC1"]
["101164733","NC(N)=C/C=C/C=C([PH+]([O-])O)[PH+]([O-])O"]
["195513467","CN([O-])C1C(C=C(N)N)C1(N)N"]
["161514074","N/C(=C/C=C/F)[N+](=O)[O-]"]
["102303144","C=C=C(CO)[PH+]([O-])O"]
["97408212","NP=C(N)N"]
["179976410","NC(=CC=[NH2+])c1ccccn1"]
["78502812","C=C/C(C#N)=C\\C=C(N)N"]
["25741062","N=C(N)N(N)c1ccccn1"]
["161334161","C/C=C\\C=C(\\N)C(C)C(C)(C)CC"]
["60352133","NC(N)=CC=C1C=CC=CC1=O"]
["150659982","C/C=C\\C=C(N)N"]
["195286245","C/C=C\\C=C(/N)NO"]
["180656765","CC1=INC(N=C2C(C)=C(C)C3=NC4=NC(=Nc5c(C)c(C)c(N)n5C5(C)C6C(C65)N32)C(C)=C4C)=C1C"]
["94549210","Cc1c(N)cnc(N2CC(C)OC(C)(C)C2)c1Br"]
["153797752","Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(O)CC(C)(C)CC1=N2"]
["153797753","Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1)C1=C(O)CC(C)(C)CC1=N2"]
["151544464","Cc1c(Cl)cccc1N=C1N=C(O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)S1"]
["MCULE-2835262097","Cc1ccc(C(C)n2nc(C3(C)CC3)c(CO)c2N)c(O)c1"]
["20912879","Cc1cc(N(C)C)nc(N2C[C@@H](C)OC(C)(C)C2)[nH+]1"]
["116306466","C1=NC2=C(NC1)/C1=N/c3c4nccnc4c4n3[Si](OCC3CC5CCC3C5)(OCC3CC5CCC3C5)N3/C(=N\\C2=N1)c1nccnc1C3NC1=NC(=N4)c2nccnc21"]
["178434621","CC1=NC23CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]2CC[C@H]3CCC2(C1)OC1C[C@H](C)CN(O)[C@H]1C2C"]
["177871731","Cc1nc2c(N3C[C@H](N=C(O)OC(C)(C)C)C[C@H]3CO)c(N)ccc2s1"]
["47815675","Cc1c(Cl)cccc1NNC1=C(N)N=NC1=N"]
["105278353","Cc1nn([C@@H]2C[C@@H](C)CC(C)(C)C2)c(N)c1I"]
["195850252","CN=c1ccc2c3ccc([NH2+]C)cc3c(-c3ccccc3)n(C/C(C[n+]3ccccc3)=C(\\C[n+]3ccccc3)C[NH+]3C4=C[C+](N)C=CC4=c4ccc([NH2+]C)cc4=C3c3ccccc3)c-2c1.CNc1ccc2c3cc[c+](N)cc-3n(C/C(CO)=C(\\CO)C[n+]3c(-c4ccccc4)c4cc(C)ccc4c4ccc(C)cc43)c(-c3ccccc3)c2c1"]
["31977606","N=C(O)[C@H](CCCNC(=O)c1ccc(Cn2c3cc(=N)ccc-3c3ccc(N)cc3c2-c2ccccc2)cc1)N=C(O)CCCCCN=C(O)[C@@H](N)CCCN=C(O)c1ccc(C[n+]2c(-c3ccccc3)c3cc([NH3+])ccc3c3ccc(N)cc32)cc1"]
["49195536","Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(O)=NCc2ccc(C3OC(CSc4ccccc4N)C(C)C(c4ccc(CO)cc4)O3)cc2)cc1"]
["83478932","COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C)C(=O)OCOC(=O)C1CCC(CN3C(=O)CC(SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C3=O)CC1)CC2"]
["200633","CSCC[C@H](N=C(O)c1ccc(NCc2cncn2Cc2ccc(Cl)cc2)cc1-c1ccccc1)C(=O)O"]
["148590940","Cc1ccc2c(c1)c(CCC(=N)O)c1n2C[C@@](N=C(O)c2ccc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1.O=C(O)C(F)(F)F"]
["169814253","CC(O)=Nc1ccc2c3cc/c(=N\\N=Nc4cccc(C(=N)N)c4)cc-3n(C)c(-c3ccccc3)c2c1.Cl.Cl"]
["991430","CC[N+](C)(CC)CCCn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1.I"]
["23933803","Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CNC(C)(C)C"]
["195153547","CC.CNC(Cc1ccc(C)cc1-c1cc(C)ccc1C)N=c1[nH]c(-c2ccccc2)cc2cc(-c3ccccc3)nn12"]
["163553998","C/N=c1\\ccc2c(-c3ccc(N(CC(=O)O)CC(=O)O)c(OCCOCCN(CC(=O)O)CC(=O)O)c3)c3ccc(NC)cc3oc-2c1"]
["200212763","CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccccc21.CNCCCCCN.CO"]
["159428186","C[B+]SP=[P-]"]
["191560425","CC(C)N.CSN"]
["153039644","CN(C)SSN"]
["99476934","CC[N+](C)(CC)CC.CO[Si](OC)OC"]
["25801302","CSP=S"]
["33558391","CSC(=[15NH])[15NH2].I"]
["150634146","CC[N+](C)(CC)CC.O"]
["189971124","CC[Si]CI"]
["24734822","CS[13C](=[15NH])[15NH2]"]
["96603138","[C+]#CP=[P-]"]
["78376504","C=S=PC"]
["170223712","C=PSP"]
["174659446","[B+]=C1[C-]=CC(CC2CCCC/C(=C(/N)C(O)=NCCCl)C2=NC2[C-]=CC(=[B+])CC2=[B+])C=[C-]1"]
["141850132","COc1ccc(CCN=C(O)N2CCCN(Cc3noc(C4CC4)n3)CC2)cc1"]
["135844674","Cc1ccn(-c2ccccc2N=C(O)CCCN=C(O)NC2CCCCC2)n1"]
["127873574","OC(CN1CCOc2ccc(Cl)cc21)=NC1CCCOCC1"]
["116945279","CCOc1ccc(Cl)cc1CCN=C(O)C1CCCC1O"]
["140898798","CN=C(O)NCC(O)=NC1CCCN(Cc2ccc(F)cc2Cl)C1"]
["139397173","CC(C)OCCN=C(O)NCC1CCN(Cc2ccccc2Cl)CC1"]
["186626380","N#CC(C#N)c1ccc(CCN=C(O)C2CCCCCCCC2)cc1"]
["194666700","Cc1c(C(O)=NC2CCCCC2=O)cc(-c2cc(C(F)(F)F)ccc2Cl)n1CCC1CC1"]
["6448215","C[C@]1(C(O)=NC2CCCC2)Cn2cnc(C(O)=NCCc3ccc(Cl)cc3)c2C(=O)N1C1CC1"]
["MCULE-3062482055","COc1ccc(CCN=C(O)C(C)N=C(O)CCc2ccc(Cl)cc2)cc1OC"]
["123140698","O=[N+]([O-])c1ccc(C(O)=NC(CCO)C2CCCCC2)cc1Cl"]
["183896844","N=C(N)C1=NNc2c(C(=N)N)c(C(=N)N)c(C(=N)N)c(C(=N)N)c2C(C(=N)N)=C1C(=N)N"]
["66404740","CNc1nnc(C)c(C)c1C(=N)N"]
["168713420","Cl.N=C(N)c1nn[nH]c1N"]
["175363672","N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)ncc(-c2ccccc2)c1[NH3+]"]
["178736899","COC(=N)c1[nH]c(C)c(Cl)c1Cl"]
["57062610","N=C(N)NN=C1CCCCCCC1"]
["171703209","COc1cccc(O)c1C(=N)N.Cl"]
["62910262","Cc1nn(C)c(N2CCN(C(C)(C)C)CC2)c1C(=N)N"]
["168364487","Cc1c[nH]nc1C(=N)N"]
["42480876","Cl.N=C(N)C1=Nc2ccccc2CC1=O"]
["106966201","Cc1n[nH]cc1[C@](C)(O)C(=N)N"]
["91791631","N=C(N)c1c(Br)cccc1Oc1ccc(Cl)c(Cl)c1"]
["195549183","N=CC1C2C#CC21"]
["175545394","N=CO.OC1CCCC1"]
["179242463","CC1C(CI)CC(CI)C1C=N"]
["180141560","CC1CCC2C#CC1C(C)C2C"]
["195915035","CC1CC=C[C@H](O)C1C=N"]
["73474688","CCCC1CCCC(C)C1C=N"]
["178886802","CC(C=N)C1CCC1"]
["175278712","N=CC1OC=CC=C1N"]
["100943023","C1#CC2C#CC3C#CC1C#CC1C#CC(C#CC(C#C1)C#C3)C#C2"]
["178369196","CCC1CCCC2C#CC21"]
["184555312","CC[C@H]1CC1C=N"]
["99456304","N=C[O-].N=C[O-].[Pr]"]
["149808273","CC1=C(C)N(CCCCCCN2C(C3N(C)C(C)=C(C)N3CCCCCCN3C(C)=C(C)N(C)C3C)=C(C)N(C)C2C)C(C)N1C"]
["64765467","O=C1OC[C@H](Cc2ccccc2)N1CCCCCBr"]
["115550403","CCCCN1C(=O)C(=O)/C(=C(\\O)c2ccc(CC)cc2)C1c1ccc(C)o1"]
["83436912","CCCCCCCCCCCCN1C(N2CCN(CC)CC2)=NC2C1C(O)=NC(=O)N2C"]
["45809794","CCCCN1C(=O)C(C)(C)N=C(O)CC1C"]
["192590550","[B+][B-](=[B+])B([B-](=[B+])[B-]([B+])=[B+])C1[B-](=C2C=C(C)C(C)=CN2C)C1C"]
["48468001","CC1CN(CCCCCNC2CC2)CC(C)S1"]
["95525622","CCCCCCCCn1ccn(C2CC2)c1=O"]
["88777009","CCCCCCCCCCN1CNC(C)C1=O"]
["89719712","CNCC1CN(c2ccc(Br)c(C)c2)C(=O)N1C"]
["187075234","Oc1ccccc1-c1nc(-c2ccccc2O)n(CCCCCCCCCCP(Br)(C2CCCCC2)(C2CCCCC2)C2CCCCC2)n1"]
["6486073","COc1ccc2c(c1)CN(C(O)=[NH+]CCCCN1CCC[C@H](C)C1)CC2"]
["176279380","C1=CC2=[GeH]C=CC2=[SiH]1"]
["102892615","C=C1C=CC(S)C=C1"]
["184327376","CNC(O)C1=CCC(C(OC)OC)C=C1"]
["33957975","COCO[C@H]1C=CC(=O)O[C@H]1C"]
["79719076","CC1=C(C)[P]C=C1.[Zr]"]
["48382445","C1=CC(=[Si-]2(C3C=CC=C3)CCCC2)C=C1"]
["83185017","C=C1C=CC(N)SC(N)N1"]
["99622912","C=C1C=CC(C(S)S)C=C1.C=C1C=CC(C([S-])[S-])C=C1.[Ni+2]"]
["179277729","CC1=CC[C@@H](I)C=C1C"]
["184138427","C1=CN2C1C1=CCC12"]
["173925882","C1=CC(C2CCC2)=CC(C2CCC2)C1"]
["171981774","NC(=O)c1cc2n(n1)C=COC=C2"]
["48672233","N=C1C=C[C]2C(O)=CC(SOOO)=CC2=C1"]
["167172761","CO/N=C(\\C)CC1C=C(O)CCC1"]
["62191798","OOOSc1ccccn1"]
["75776216","N=C1C=CC2=N[N]C=CC2=C1"]
["68889407","O=C(Oc1c(F)c(F)c(SOOO)c(F)c1F)C1CCCCC1"]
["57516366","COC(CI)C([O-])=Nc1cc(C)c(SOOO)c(C)n1.[Na+]"]
["51590770","COc1ccc(C[C@H](C)N)cc1SOOO"]
["55306960","CC(C)CN(CC(C)C)c1ccc(N=Nc2ncc(C(=N)O)o2)c(SOOO)c1"]
["59920162","COc1ccc(SOOO)cc1O"]
["26791900","N=C1C=C[C](C(=O)O)C=C1"]
["23841322","N=C1C=CC(=C(O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C1"]
["174953159","N=c1nc(O)n(O)cc1O"]
["178541842","CC([I+]OC1C[NH2+]C1)C([NH-])c1ccc([CH-][n+]2ccc3c[n-]ccc2-3)cc1"]
["180244444","C=C[C@H](C)/C(=C\\C(C)C)n1nc(C=O)c2c1CC=IC/C=C\\C(C)S(O)(O)C2"]
["104742490","C[C@@H](O)c1ccc(O[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1"]
["61838449","C=CCCOc1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)cc1F"]
["186350299","COC(=O)CCCC(=O)N1CCc2cc(OC)ccc2C1C(C)C"]
["100123265","CC(N=C(O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc(N(C)C)nn2)C1"]
["MCULE-3282556180","COC1CN(C(=O)c2nn(C)cc2-c2ccc(C(C)C)cc2)C1"]
["134743653","COC(=O)CC(N=C(O)C1CCOc2ccccc21)c1ccc(Cl)c(F)c1"]
["18749264","C[NH+]1CCN(c2ccc(-c3[nH+]ccn3[C@@H]3C[NH2+]C[C@H]3O)cc2)CC1"]
["32431355","C[C@H](N=C(O)[C@@H](CSC(=O)C1C2CC3CC(C2)CC1C3)[C@@H](C)c1ccccc1)C(=O)O"]
["178509783","CC(C)c1cc[n+]2c(c1)-c1cc3c(cc1C(C)[C@H]2C)OC=CS3(=O)=O"]
["89695825","CC(C)c1ccc(N(C)C2CCC(ON)CC2)cc1"]
["169685188","CN(CC#CC(C)(C)CCC(C)(C)C1CC(N(C)C(C)(C)C)C1)CC(C)(C)C"]
["85131632","CCCNC1CCCC(N(C)CC(C)(C)C)C1"]
["2561726","CN(CC#N)C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C"]
["113606597","CN(CCCCC(C)(C)C#N)C1CNC1"]
["162699778","CC1CC(N(C)CC(C)(C)N)C(C)O1"]
["113696147","CCC(C#N)(CCCN(C)C1CCCC1)NC"]
["88705611","CN(CC1CCCCO1)CC(C)(C)C1CCCNC1"]
["84873463","CN(CCC(C)(C)O)CC1CCC1"]
["84894370","CN(CCCCCN)CC(C)(C)O"]
["58917071","CN(C)C1CC(C(C)(C)C)C1"]
["57069708","CCC(C)(C)C1CCC(O)C(N(C)C2CCOCC2)C1"]
["31158147","CN(C)CC#C[C@]12CCCC=C1[C@@]1(C)CCC3(OCCO3)C(C)(C)[C@@H]1CC2"]
["195685381","C[NH+](/C=C/N/C=C/N)[N-]CCNCC=N"]
["198106365","CC(C)(CO)N/C=C\\N"]
["174695788","N/C=C\\NCc1ccc(C=O)c2ccccc12"]
["195908364","C=CC=CNC=CN"]
["195611194","CC(C)(I)CCNC(=N)NN"]
["173471687","CCCNC/C(C=N)=C(/N)c1ccccc1"]
["180360089","CCNCC[I-]/C=C\\N"]
["180902412","C=C1C=CC(CC(C)(C)I)=CN1NC=N"]
["79501252","CC(N)(C/C=C/CCNCC=N)C(=O)O"]
["173807343","CN(C)C(=S)Oc1ccc(CCCCN/C=C\\N)cc1"]
["180597888","C/C=C\\CNCCN"]
["179851814","CC(c1ccccc1C=O)N(C)CCNCC=N"]
["99906436","C=NP(F)(F)=NP1(=NP(F)F)OCCN1C"]
["179051955","C=C(C)[C](I)C(F)N1CCOCC1.[Tl]"]
["51340543","CN=C(O)C(C)=CN1CCOCC1"]
["195798318","C=C(OC)C(=NC)N1CCOCC1"]
["124952809","Cc1ncc(CN2CCN(CC(O)=Nc3nnc(C(C)C)s3)CC2)s1"]
["150021191","C=NN(C(CN1CCCOCC1)=NC)c1ccc(C(F)(F)F)cc1Cl"]
["197664242","CC(N)(CCN1CCOCC1)C(F)F"]
["163724903","COC(=O)c1c(F)cc(N=C(O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1F"]
["132494343","CC1CCCN1C(O)=Nc1cc(S(C)(=O)=O)ccc1F"]
["148952406","Cc1nc(N2CCCC2)nc(C)c1N=C(O)C1CCOCC1"]
["86531022","CC(C)CNCC(C)C(C)N1CCOCC1(C)C"]
["115213768","CC1COCCN1c1c(Cl)cccc1CBr"]
["179007289","C=C1c2c3ccc(S(C)(C)C)c2CC12Cc1ccc(S(C)(C)C)c-3[n+]12"]
["100144629","CS(=O)(=O)c1ccc(F)c2c1C(=O)CC2"]
["90064745","CC1(C)CC(=O)c2cccc(Br)c2C1"]
["164455658","Cc1ccc(S(=O)(=O)NN=C2CCCCC2)c(-c2ccc(Cl)cc2)c1"]
["28881148","CCOC(=O)Cn1c(C)c(Cc2ccccc2S(=O)(=O)N(C)C)c2c1CC(C)(C)CC2=O"]
["144961285","CC1(c2ccc(S(C)(=O)=O)c(F)c2)CCCN1"]
["82904419","C=CC1OC(=NS(=O)(=O)c2ccc(C)cc2)OC12CCOCC2"]
["34394384","C=C1C=C(O[Si](C)(C)CC[Si](C)C)CC(C)(C)C1"]
["100932747","CC(C)(C1=CCC=C1)C1=CCc2ccccc21"]
["194953841","C=C1c2ccoc2CC2(C)C(C)CCC12C"]
["155722317","CC(C)(C)C[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3"]
["95349792","CC1(n2c(=N)[nH]c3c(S(C)(=O)=O)cccc32)CC1"]
["173609991","Cl[B+]n1c2c3cc(Cl)c(Cl)cc3c1[N-][C+]1N[C](Nc3[nH]c(c4cc(Cl)c(Cl)cc34)[N-]2)c2cc(Cl)c(Cl)cc21"]
["174914527","CCCCc1nc(Cl)c(C)n1Cc1ccc(-c2ccccc2C2=NNNN2)cc1"]
["52980755","Cc1cc2nccc(Oc3ccc(=N)[nH]c3Cl)c2cc1C"]
["16206961","CCCCN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1CCS(=O)(=O)C1"]
["76774991","O=C1N=Nc2c1c(=O)[nH]c1cc(Cl)c(Cl)cc21"]
["78782708","Cc1cc2c(cc1C1(C)C=CC=CN1C)oc1cnccc12"]
["169234307","CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccc(Cl)cn1"]
["194792180","Clc1cc(-c2cn[nH]c2)c2cc(Cl)c(Cl)cc2n1"]
["199946347","OC(c1cnccc1OC1CC1)C1CC2(C1)CN(c1cc(Cl)cnc1C(F)(F)F)C2"]
["91479983","Clc1cc2cncc2c2[nH]onc12"]
["90472278","O=C1N=Nc2c3cc(Cl)c(Cl)cc3nc(=O)n21"]
["171793326","Cc1ccc(Nc2ccc3[nH]c4ccc(Cl)cc4c(=NCCN)c3c2)cc1C.N=CN"]
["191149554","CC1=Nc2c(C)[n+](C)c(C)[n+](C)c2C1.CC1=Nc2nc(C)c(C)c(C)c2C1.Cc1c(C)c(C)c2c(c1C)CC=N2"]
["45848648","CC1=Nc2ncccc2C(=O)C1"]
["99068134","Cc1ncccc1OC1CC=Nc2c1ccn2C1CCCCC1"]
["33639503","Cc1ccc(S(=O)(=O)N2Cc3c(C)nc(N(C)C)c(-c4ccccc4)c3C2)cc1"]
["63729712","Cc1c(N)cccc1-c1nc(C2CC2)nn1C"]
["180361134","Cc1nc(C2NC(=N)[C@H](N)C(N(C)Cc3ccccc3)N2)[nH]c1C1CC1"]
["85833878","CC(C)(C)c1csc(CC2(CN)CCC(C)(C)C2O)n1"]
["151023550","N=c1nc2c(c(Br)[nH]1)CC=N2"]
["108265569","Cc1cccc(C(=O)N2CCc3ccc(O)nc3CC2)n1"]
["191154759","CN(C)CCN(C)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2c(c1C(=O)O)CC=N2"]
["163128832","CC(CN)SC1=NC(=O)CC=N1"]
["51015037","Cc1c(N)cccc1-c1nc(C2CCCC2)nn1C"]
["163535077","CC1=CC(C(C2=CC=C(O)C=C(C)C2)c2ccc(O)cc2)=CC=C(O)C1"]
["143999634","CCCC(O)=NC(C(=O)OC)c1ccc(O)cc1"]
["184995753","COC(=O)[C@@H](C)[C@H](c1ccc(CCC(=O)c2ccc(O)cc2)c(O)c1F)C1CC1"]
["26403223","CCCC(=O)OC(C)c1ccc(O)cc1"]
["123710811","Cc1ccc(CC(C)N=C(O)N(C)C(C)Cc2ccc(O)cc2)s1"]
["60337544","Cc1cc(C)nc(NN2C(=O)/C(=C\\c3ccc(O)cc3)SC2=S)n1"]
["75162466","CC1=CC(=O)C(N)=CC1=Nc1ccc(O)cc1"]
["55676755","Cc1cc(Br)ccc1C(=O)N(C)C(C)c1ccc(O)cc1"]
["48758894","CCOC(=O)C(NCC1CC1)c1ccc(O)cc1"]
["88486301","CC(c1ccc(O)cc1)N1CCC2(CCCC2)CC1"]
["CSSS08006419673","CS(=O)(=O)Nc1ccccc1C(O)=N[C@H](c1ccc(O)cc1)C(F)(F)F"]
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["179079420","[NH2+]=C1N=C=Nc2c1ncn2CCO"]
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["78242483","BC#N.[K+]"]
["100873532","BC#CC#CC#CB"]
["97541386","BC#[C-]"]
["43168441","BC#N.CNC"]
["46962332","B[C]=[N-]"]
["79624964","BC#N.Br"]
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["100873533","BC#CC#CC#CC#CB"]
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["175694140","[Se]=S1C=CN=C1.[Zn]"]
["178304917","CC(C)(C)N1C=NC=IN1"]
["196783109","CCC1C=NC=CI=C1"]
["180636578","ON=C1C=NC=I1"]
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["78995691","C=CC=C1[CH]C=CC1.[Pt]"]
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["176443955","C1CC[Te+](CCCC[Te+]2CCCC2)C1.[Br-].[Br-]"]
["89324624","FCC(NC1CCCCC1)C1CCCC1"]
["172639538","Cl.FCCNC1CCCC1"]
["42033210","NCC(NC1CCCCC1)C1CCCC1"]
["183171673","[SiH3]CCCC(C1CCCCC1)(C1CCCCC1)C1CCCCC1"]
["173210783","C1CCC1.FCF"]
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["86618406","CN(CCCNCCCF)C1CCCCC1"]
["99834579","CN(CCC=CC(=N)O)C1COC1"]
["176443963","C1CC[Te+](CCCCC[Te+]2CCCCC2)CC1.[I-].[I-]"]
["184371508","CCC1=C(CC)C2=[N+](C)C1=Cc1c(CC)c(CC)c3cc(C)c(CC)c(CC)c([nH+]p(C)n13)C=C1C(CC)=C(CC)C(=C2)[NH+]1C"]
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["93163669","CCC(CC)Cn1c(CCCl)nc2c(C)ccnc21"]
["87867209","CCCCCOC(=O)Cn1c(=N)[nH]c2cc(C)c(C)cc21"]
["57562350","CCC1=C(C)C2=CC3=[N+]4C(=Nc5c(CC)c(CC)c6n5C45n4c(c(CC)c(CC)c4=NC1=[N+]25)=C6)C(CC)=C3CC"]
["59397144","C=C(C)C(=O)OCCOC(=O)CCc1ccc(O)c(-n2n3c4ccc(OC(=O)C(C)(C)C)cc4n23)c1"]
["172842476","CCCCCOC(=O)OOOC(=O)c1ccc(C)cc1C"]
["175169945","CC1=CC(C)=[N+]2B(F)n3c(C)cc(C)c3C=C12.F"]
["170924164","CCc1cc(C)c(CC)c(C)c1CC"]
["182377254","CCc1c(C)cc(N=[N+]=[N-])c(F)c1-c1ccc(F)cc1"]
["194563962","C[Si-]=[O+]C=CC(CCCCCCCCC[O+]=[Si-]C)[O+]=[Si-]C"]
["182017033","C=CCCCCCCCCCCCCCCC(N=[N+]=[N-])NC"]
["190227417","CC(C)CCCCCCCCC(C)C.CC(C)CCCCCCCCCC(C)C"]
["102943598","CCCCCCCCCC/C=C/C(CCCCCCCCCCCCCCC)COS(=O)(=O)O"]
["195409219","C=CC=CCCCCCCC(CC)CC"]
["167204869","CCCCCCCCCC[C@H](CO)CCC(=O)OC(C)(C)C"]
["172375406","CCCCCCCC/C=C\\CCCCCCCCC(C)OO"]
["170945639","C=COCCCCCCCCCCC(F)CO"]
["96658558","CCCCCCCCCCC/C=C/CCCCOC[C@@H](O)[C@@H]1OC[C@H](O)[C@@H]1O"]
["98944774","CC(C)CCCCCCCCCCCCCCCC=C=O"]
["120055031","COC1CCCC(NCCCCCCC(C)C)C1"]
["62428738","C[Si-]=[O+]C([O+]=[Si-]C)C(C)(C)Cc1cccc2c1C(=CN(C)C)C(O)=N2"]
["159348096","CC1=C(I)C#C[C-](Cl)N1"]
["163300555","CC1Cc2c(ccc(I)c2Cl)N1"]
["25888383","ClC1=C=CC=C(I)[CH]1"]
["174215494","Cc1c(CO)c(I)c(CO)c(I)c1CO"]
["9685942","Cc1cc(I)ccc1N=C(S)N=C(O)c1ccc(-c2ccc(Cl)cc2)o1"]
["20214472","Cc1c(I)[nH]c(C=O)c1I"]
["25318369","CC1=CC=C=C[C]1Cl"]
["174525173","CC1=C=C(C)[C-](C)S1.[B]C.[Y]"]
["165290725","CCOC(=O)Cc1[nH]cc(C(F)F)c(=O)c1I"]
["180159143","CC(C)(C)c1[nH]nc(O)[nH+]1"]
["162109979","Cc1nc(CCO)[nH]c1I"]
["108492340","Cc1cc(Cl)c(I)c(=O)n1C"]
["81611213","OCC=C(CC[OH+][B-](F)(F)F)CP[B]I"]
["163251414","OC/C=C(\\c1cccc(I)c1)C(F)(F)F"]
["175401871","C=C(CO)CCC/C(=C\\CO)CO"]
["173373017","OCC=CC(O)=CCO"]
["79898844","OC/C=C(\\Cl)C(Cl)(Cl)Cl"]
["90708421","CC(=CCO)CCCI"]
["51403134","N=C(O)/C(=C\\CO)CO"]
["48332774","CC(=CCO)CCCC(C)(C)Cl"]
["34452348","OCC=C=CC#CCCl"]
["81445389","C[Si](C)(CC(=CCO)CO)O[Si](C)(C)CC(=CCO)CO"]
["78198596","C=CC/C(=C/CO)CO"]
["198535169","CC(=CCO)CCS"]
["99608958","CP(C)[CH-]CP(C)C.[Tc]"]
["169818828","CCP(C)C(C)C(C)S"]
["102910819","CC(C)(C)N=NP(NC(C)(C)C)NC(C)(C)C"]
["149901547","CC(C)CCP(C)C"]
["179141981","C[CH-]C.C[CH-]N.[U+2]"]
["42743284","CP(C)C(C)(C)P(C)C"]
["54773044","B#P(C)OC[C@H](C)C=O"]
["48576907","CP(C)P(C)P(C)C"]
["170527945","CC(C)P(OC[CH-]COP(C(C)C)C(C)C)C(C)C.[Cl-].[Ni+2]"]
["68640958","C[CH-]CC.[Rf].[Rf]"]
["185660200","CC(C)CP(C#N)C#N"]
["78327850","CCP(C)C.OB(O)O"]
["182447445","Cl[Si]1(Cl)[SiH2][Si](Cl)([Si]2(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si]2(Cl)Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["161655192","FC1(F)C(F)(F)C(Cl)(SCl)C1(F)Cl"]
["43779303","Cl[Si]1(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["97862505","C[Si]1(C)[Si](C)(C)[Si]2(Cl)[Si](C)(C)[Si](C)(C)[Si]1(C)[Si](C)(C)[Si]2(C)C"]
["78553449","ClB1[SiH2][Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["79890376","Cl[Si]1(Cl)S[Si](Cl)(Cl)S1"]
["174144942","Cl[Si](Cl)(Cl)[Si]1(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["190258849","Cl[Si]1(Cl)[SiH2]CC[SiH2][SiH2][Si](Cl)(Cl)[Si]1(Cl)Cl"]
["183931694","Cl[SiH]1[SiH2][SiH2][Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["79273137","Cl[Si]1(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["191906824","Cl[Si](Cl)(Cl)[Si]1(Cl)[SiH2][SiH2]CC[SiH2][SiH2][Si]1(Cl)Cl"]
["164495918","CC(C)[Si]1(C(C)C)[Si](C)(C)[Si](C(C)C)(C(C)C)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["96697898","[P-]=C1C=CC(C2=[N+]=CC(=[P-])[CH+][CH+]2)=[N+]=C1"]
["17703618","Cc1cnc(Cl)cn1"]
["176505899","C=C(O)[C@@H](C)C1CC/C(C)=C/CCC(C)C(C)C1"]
["187676563","CC1=[N+]=C/C([NH-])=C\\C/C=C/1"]
["173169245","C[O+]=C1C=CC2=CN(C)CCC34C=C[C@H](O)C[C@H]3OC1=C24.[Br-]"]
["51184781","Cc1c(N)ccc(C(S)S)c1N"]
["187944352","Fc1cc(Cl)ccc1/C=N/S"]
["97523727","C1=C[CH+]C(C2=[N+]=C[C+](CN3CCC[N-]CCNCCC[N-]CC3)C=C2)=[N+]=C1"]
["49601224","C=C1C=CC(c2ccc(C(CC)(CC)c3ccc(CCC([O-])C(C)(C)C)c(C)c3)cc2C)=[N+]=C1"]
["33080481","CC(C)=CC(C)=C1C=CC=C1"]
["101032912","CC1=[N+]N([BH-](N)n2ccc(C)n2)C=C1"]
["99446556","CC1=[N+]=C2C=CC(=[As-])C=C2C=C1"]
["54860152","C[Se]CC(C[Se]C(=[Se])[Se]CCCCCC(C)=[Se])[Se]C"]
["195508411","CCCCCCCCCCCC(=O)CCCCN"]
["188163303","C=C(C(=N)O)[C@H](/C=C/C(C)=O)N=C(O)CCCCCCC"]
["99581044","CCN(CC)C(=O)CCCCCCCN"]
["96584890","CCCCCCCCCCCCCCCC(O)=N[C@@H](COP(=O)(O)O)[C@@H](C)CC"]
["79954278","CC(=O)O.CCCCCCC(O)=NO"]
["173454223","CCCCCCCCCCC[C](C)C.[Sn+3]"]
["91671580","CC(=O)O.CCCCCCCCCCCCCCCCCC(O)=NC(CCCCN)C(=O)OCCCC"]
["197695461","CC(C)(C)OCCCCCCCCCC(=O)C(C)(C)C"]
["91364387","CCCC[Se]C=CC(O)CC"]
["186362042","CCCN(O)CCCCC/C(C)=C\\O"]
["91158074","COC(=O)C([N+]#N)=C(O)N(CCCCCC(=O)O)C(C)=O"]
["78828178","CB=PP=PP=PP=PP=PP=PP=PP=PP=P"]
["149555525","CB=PF"]
["43586437","C[B]N=P"]
["164061144","CB=PS"]
["101956970","COP=P"]
["198468549","CB=[N-].[Na+]"]
["68117806","C[B]P=S"]
["195745333","C[B]c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1"]
["78653385","[P-]=[P+]=PP=PP=PP=P"]
["64497409","C[Si](C)(C)N(P=CCl)[Si](C)(C)C"]
["148780339","CB=PP[P]"]
["173499310","C[B]C(C)=P"]
["76982399","COC#COC=COC"]
["50204504","CCCCCC1CC1C/C=C/OC"]
["78972039","C=CCc1ccc(C/C=C/OC)cc1"]
["181098156","COC=CC(=O)CN=[N+]=[N-]"]
["90718973","CCOC(=O)CC=CC=COC"]
["174981098","C=C(/C=C\\OC)NC"]
["42365531","[CH]C/C=C/OC"]
["98952695","O=C=COC#COC#COC=C=O"]
["83526551","COC=CC(=O)CCCCCCCCCCCCC(=O)OC"]
["91434279","COC=CC#CCO"]
["78226559","CO/C=N/N(C)C.Cl"]
["96675877","CO/C=C/C(C)[Se]c1ccccc1"]
["73973340","Cl[I]C1=CC(=ICl)C(=ICl)C=C1"]
["49191802","Cc1cc(Br)ccc1-n1c(C)nnc1Cl"]
["99784902","O=C1C=CC(Cl)=C/C1=C/NN=C(O)c1cc(O)c(O)cc1O"]
["44859298","O=C1C=CC(Cl)=CC1=CNc1ccccn1"]
["MCULE-3325549105","[N-]=[N+]=NCC1CC1c1cc(Cl)c(O)cc1Cl"]
["179293169","CC1CC(I)=CC(I)C1"]
["44817569","O=C1C=CC(Cl)=C/C1=C\\NN=C(O)c1ccccn1"]
["183704178","OC(=NCl)N1c2ccccc2C=Cc2ccccc21"]
["73621634","Cl[I]C1=CC=CC(=ICl)C1=ICl"]
["179671778","C[S@@](=O)C1=C[N-]C(=ICl)CC1"]
["179387189","[CH-]=IC1=C[C@H](C)[C@H](C)C=N[I+]1"]
["180936402","CCI=C1C=CC=CC1=[N+]([O-])[O-]"]
["161224446","[3H]PNN([3H])N=P([3H])([3H])[3H]"]
["194572753","[3H]P[O+].[Fe]"]
["78812092","[3H]P[SiH2]F"]
["42974433","[3H][C-]=C(P)C(P)=[C-][3H].[Y]"]
["171942825","[3H]PO.[V]"]
["64096085","[3H]PO.[Nd]"]
["95078085","CCC(CC)(CBr)NS(=O)(=O)CC1CC1"]
["44695946","[3H]PO"]
["48591071","CCC(CC)(CC)NS(=O)(=O)CC(=O)O"]
["78566981","[3H]PB(P)P"]
["171591016","[3H]PP.[Al+].[Cl-]"]
["171887263","[3H]PNC"]
["161807140","C1=CSc2ncnc3c2C(=N1)C=N3"]
["184204472","CC1CSc2ncnc(N)c2N1"]
["81264218","O=C1C=CN=C2NC3CSC=C3C=NC12"]
["63728800","Cc1ccc(-c2c(C)sc3ncnc(SCC#N)c23)cc1"]
["4244267","Cc1sc2ncnc(SC(c3ccccc3)c3ccccc3)c2c1-c1ccc(Cl)cc1"]
["48177211","CCc1cc(CC(=O)c2ccccc2)ncn1"]
["157651336","Cc1cnc(NC[C@@H]2CCC[C@@H]2O)nc1C"]
["172581023","N=C(O)N1CCC2(C=CN=C3C=NOC=C32)CC1"]
["163124388","Cc1ncc(-c2c(C)csc2C(=O)O)o1"]
["166908922","C1=CC(=C(CC2CC2)C2CC2)N[N]1"]
["124641244","CC1CCCN1c1ncnc2sc3c(c12)CCC3"]
["158601197","C1=CC2=NC=CC2=N1.[Cr]"]
["172907543","C1=C[N+]2=NC=CC2N=C1"]
["109298052","Br[C@H]1C=NC=N1"]
["83400243","O=C1C=CN=C2C1=CC=CC2F"]
["180498149","C1=CC2N=CN=CC2C=N1"]
["83061242","CCCCN1C(=O)C2C=CC=NC2C1=O"]
["50640782","CC(C)(C)N1CCNC2N=CC=CC21"]
["49184398","C1=CSC(c2ccccc2)N=C1"]
["76116798","O=C1C[N+](=O)C=CC=N1"]
["171291996","CCSC1=C(Cl)C(=O)C2N=CC=CC2C1=O"]
["7520242","Cc1ccc2nc(SC[C@H]3C=[N+]4C=CC=N[C@H]4N3)[nH]c2c1"]
["185823984","CC1N=CC=CC1CO"]
["184116360","CC1(O)C=CC=NC1C(=O)O"]
["178189628","[O-]C([CH-][C-]=C(O)O[I+]OC(F)(F)F)O[I+]OC(F)(F)F"]
["145427854","O=C(O)c1cnc(OC(F)(F)F)c(F)c1Cl"]
["157931557","C[C@@H](C1CCC1)[C@H](F)C(=O)O"]
["156529354","CN1C[C@@H](N=C(O)N[C@@H](C2CCCC2)C(F)(F)F)CCC1=O"]
["159063544","N#Cc1cc(C(=O)O)cc(SC(F)(F)F)c1OC(F)F"]
["26070217","Nc1cc(S(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1C(F)(F)F"]
["197630078","C=CCOC(=O)N1[C@H](C(=O)O)CCC[C@@H]1C(F)(F)F"]
["179879042","O=C(OC(CI)C(F)(F)F)C1CC2CC3CC4CC1CC3C42"]
["2518131","C[C@@H](NC(=O)c1ccco1)C(=O)OCC(O)=NCC(F)(F)F"]
["25568603","CCC(OC(c1ccccc1)C(F)(F)F)C(=O)Cl"]
["49644755","O=C(CCC(F)([N+](=O)[O-])[N+](=O)[O-])OOC(=O)CCC(F)([N+](=O)[O-])[N+](=O)[O-]"]
["123852468","CC(CC1CCCC1)C(=O)N1CCN(C(C)C(F)(F)F)CC1"]
["199860463","COC1=CC=C(C2=CC=C(C3=CC4=C(CC3)c3ccc(C5=CC=C(C6=CC=C(CO)CC6)CC5)cc3C43C4=C(CCC(C5=CC=C(C6=CC=C(OC)CC6)CC5)=C4)c4ccc(-c5ccc(-c6ccc(CO)cc6)cc5)cc43)CC2)CC1"]
["MCULE-3129884815","COCc1ccc(-c2ccc(OC)c(C(O)=Nc3cc(OC)ncn3)c2)cc1"]
["30546563","OCc1ccc(-c2cc(-c3ccccc3)nnc2N2CCN(c3ncccn3)CC2)cc1"]
["MCULE-7795923690","COc1cc(-c2ccc(CCC(O)=Nc3c(F)cccc3C(F)(F)F)cc2)ccc1C"]
["30603055","CCOC(=O)CC(CC(C)C)C(O)=NCc1ccc(-c2cccc(OC)c2)cc1"]
["173521393","C/C=C/CCC1CCC(C2CC=C(c3ccc(-c4cc(OOC)cc(OOOC)c4)cc3)CC2)CC1.C=C(O)C=O.C=CO"]
["MCULE-8539558573","COc1cc2c(cc1OC)CN(C(=O)Cc1ccc(-c3ccc(F)cc3CC(=O)O)cc1)CC2"]
["MCULE-7062390448","COc1ccc(C(O)=Nc2cc(-c3ccc(CC#N)cc3)ccc2C)c(OC)c1"]
["MCULE-3266076109","COc1ccc(-c2ccccc2C(O)=NCC2CCCO2)cc1F"]
["28386152","Cc1ccc2oc(-c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3cc4c(cc3-5)C(C)(C)c3cc(-c5ccc(F)cc5)ccc3-4)nc2c1"]
["29114358","CCCCCC1CCC(c2ccc(-c3ccc(OCc4ccc(OC)c(F)c4)cc3)c(F)c2F)CC1"]
["186143389","C=C/C(=C\\C=C(/C)O)C(OCc1ccc2c(c1)OCc1cc(CO)ccc1-2)(c1ccccc1)c1ccc(OC)cc1"]
["100179211","C1=CC2=COC3=CN=C4C=CC=CC34C2C=C1"]
["181753703","COC1=CC23CC(O)=NC=C4CCC(C)C(=C42)CC3=CO1"]
["180738471","COc1cc(C2C=CC=CC2(C)C=O)ccn1"]
["43642007","O=C1C=C2C=CC=CC2C2C=CC=CC2C1"]
["164553014","C1=CC2C=C3C4C=CC=CC34C2C=C1"]
["145345106","O=C1OC2C=CC=CC2=NC1=NO"]
["47780201","C1=C/C2=c3\\ccccc3=COPOC2C=C1"]
["81577924","O=C1OC(=C2N=CC=N2)N=C2C=CC=CC12"]
["83404225","Cc1ccccc1C=CC1=CC(=O)C2C=CC=CC2=N1"]
["94309215","CC(C)NCC1(Cc2ccc(Br)cn2)CCOC1C"]
["185059608","COc1cc2c(c(OC)c1OC)=C1C=CC=CC1OC=2O"]
["69759864","O=C1C2=CC=C3C=CC=NC3C2=NC=C1S(=O)(=O)CC(F)(F)F"]
["186013416","[B+]=B[N-]C=B"]
["150416758","CC=BC1CC1"]
["172004028","[2H][B-](=[B])B=[B+]"]
["67809396","O[CH]B=CO"]
["173655805","[B+]=C[N-]C#CC"]
["81616348","[B+]=P(=O)B=O"]
["49876796","[B+]=B[S-].[W]"]
["173684199","[B+]=B[N-]SC"]
["174488685","B#[B-]OB=[B+]"]
["172004516","[2H][B][B-](=[B+])N"]
["173856576","[B]=CC(B=[B+])=C(C)[N-]C"]
["67208231","[3H][B-](=[B])B=[B+]"]
["180631624","C[SH+]C1=N[N-]C(=[Si+])S1"]
["162941933","Cc1nnsc1C1NCCS1"]
["158091988","Cc1nc(C)c([C@H]2C[C@H]2CN)s1"]
["173405693","CC1=C[N-]C=C(C)S1.[Li+]"]
["195505918","CC(C)C1=N[N-]C=C=C1.[Rh]"]
["25085430","CC1=N[N]C(=C=S)S1"]
["173378076","CC1=N[N-]C#S1.[K+].[Y]"]
["23528289","C[SH+]C1=CCC/C=C(C(C)(C)C)\\C=C/1"]
["178223314","CC1=C(C)I=N[N-]1"]
["149815302","CC1C=C(Br)CCC1C"]
["82123089","S=C1N=NC(=S)S1.[Na+]"]
["24046298","Cc1nc(CBr)cs1"]
["175907575","C1=C(CNNCc2cc[nH]c2)CCN1"]
["118792696","OCCCC(NCc1cc[nH]c1)c1ccccc1"]
["137094655","OC(=NCc1cccc(N=C(O)C2CCCO2)c1)N=c1cc[nH]cc1F"]
["68703115","Cc1cnc(CNCCn2ccnc2C)cn1"]
["101974478","OC(=N[C@@H](Cc1ccncc1)C1CC(O)C1)c1cc[nH]c1"]
["65992713","Cc1c[nH]ccc1=NC1(CCl)CCCC(C)C1"]
["156485296","CC[C@@](C)(O)Cc1c[nH]ccc1=N"]
["112958798","Cc1cc(S(=O)(=O)N=c2cc[nH]cc2C)sc1CN"]
["183940146","[N-]=[N+]=NC1C(F)=CC=CC1(F)c1cc[nH]c1"]
["86752414","CCN=c1cc[nH]cc1C(O)=NCCC1CCCO1"]
["114379643","Cc1cccc(C(O)=NCCC2=CCNCC2)c1C"]
["14964939","Cc1cc(C(=O)N=c2cc[nH]cc2Cl)c(C)s1"]
["75705095","NC(N)C12NC1(C(N)N)C2(C(N)N)C(N)N"]
["157986135","CC[C@@H](N)CC1(C)CC1"]
["200191470","CC(N)C1(F)CCC1"]
["181246096","CC(C)C1(N)NC(=N)NC(N)(C(C)C)N1"]
["43732428","CCCCC(N)C1CC(C)(C)NC(C)(C)C1"]
["193304088","NC(N)C(N)C(N)N"]
["49633444","CC(N)C1(C(=O)O)CC1"]
["54556600","[CH+]=C([O-])[C@H](C)N"]
["154988139","C#C[C@H](N)[C@]1(C)CCCS1"]
["185759435","CC(C)(C)[C@H](N)C(=N)[O-]"]
["47777448","CC(C)(C)C(N)c1nc(=N)[nH][nH]1"]
["54521817","COC(=O)[C@@H](N)CC1(C)CC1"]
["172380941","[CH-]1[CH-]CC2(OO2)[Cl+]C1"]
["199889964","O=C1[CH-][CH-]C(=O)O[Cl+]O1"]
["162340203","FC1(F)[CH-]COCC1.[Li+]"]
["178596455","[CH2-]C1(CCC)CO[C-](Cl)OC1.[U+2]"]
["175635758","O=C(O)C1(NP)COC1"]
["96983279","[N]C12CCC([Cl+])(CC1)CC2"]
["180879259","C[I+]C1(C)C[CH-][CH-]C1"]
["184511672","C1CC2(CO1)C1=C2CC1"]
["156259989","CC1(C)NC=CCO1"]
["96829055","CC1(C)CC2(CC(C)(C)C1(C)C)OOC1(CC(C)(C)C(C)(C)C(C)(C)C1)OO2"]
["174956589","[CH-]1[CH-]C[Cl+]C1"]
["68854829","[CH-]1[CH-]COC1.[Ca+2].[H-]"]
["150630960","NCCC(O)(CN)CCN=C(S)SS[SiH2]NCCC(O)(CN)CCN"]
["180677183","CC(C)(C)CCN=C(S)CC(C)(C)C"]
["81927652","NCC(O)=NCC1CC(C(F)(F)F)CC(C(F)(F)F)C1"]
["173688678","[B+]=C=[C-]N=C(O)OCCCCOCSSC(C)(C)CCOC(O)=NCCOCCOCCN"]
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["91134444","C[As](C)(C)=N[As+](C)(C)C"]
["79012215","C[As](C)(=O)[O-].[Li+]"]
["99867455","Cc1ccc(/C=N/O)c(N)c1"]
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["96710126","C[As](C)S[As+](C)(C)S[As](C)C"]
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["63005947","[CH-]=NC(=[CH-])C(C)C.[Y]"]
["173013022","Cn1scc(N)c1=S"]
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["60397586","PB(P)B(B(P)P)B(B(B(P(P)P)P(P)P)B(P(P)P)P(P)P)B(P(P)P)P(P)P"]
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["144659884","CNP(#P)P(#P)P"]
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["192448420","CCN(CC)c1ccc(C(CC(=O)O)NCl)cc1.PPB(B(B(P)P)B(B(B(P(P)P)P(P)P)B(P(P)P)P(P)P)B(P(P)P)P(P)P)P(P)P"]
["168902536","FC#C[C-](F)F.[Ca+2]"]
["25364354","O=[C]F"]
["25349977","F[C]=S"]
["174509373","FC#CF.c1cc2cc-2c1"]
["26517438","F[C]=CC(Cl)(Cl)Cl"]
["101066488","FC#C[XeH]"]
["33330795","F[C]=C(F)F.[Br-].[Zn+]"]
["170922279","N#CCC(=O)[C-](F)F.[Na+]"]
["185520351","F[C-](F)F.[CH-]=C.[Mg+2]"]
["170926254","F[C-](F)F.[Fe]"]
["171934102","F[C-](F)F.[Pd]"]
["99528740","F[C-](F)C(F)(F)F.[Zn]"]
["180314491","C1=CCC[CH-]C=1N(C1=C=CCC[CH-]1)C1C=CCC[I+]1"]
["179386186","O=S(=O)([O-])[I+]CCCc1cccc(OC2=C=CCC[CH-]2)c1"]
["97176031","SC[C@]12C[C@]3(CS)C[C@](CS)(C1)C[C@](c1ccc(C#Cc4ccc(C#CC5=C=CCC5)cc4)cc1)(C2)C3"]
["168132776","O=C(C(C1=C=CCC=[C-]1)=C(C1=C=CCC[CH-]1)C(O)=C1C=C[CH-]C=C1)c1ccccc1.[Co].c1cc[cH-]c1"]
["53199716","C1=CC2CC3=C(CC/C=C\\CC3)CC12"]
["154998983","OC1=N[C@H]2CCC=C[C@@H]2O1"]
["97469392","C=C[C@]12CN(Cc3ccc(OC)cc3)C(=O)[C@H]1[C@@H]1OCCC=C[C@@H]1O2"]
["173058481","[B+]=[O+]CC([O-])CN1CCN(C(C2=C=CCC[CH-]2)c2ccccc2)CC1"]
["173665849","[B]C([B+])([B+])C([B+])([B+])OC1[C-]=CC([C@H](C[O-])N=C(O)[C@H]2C[C@@H]2C2=C=CCC[CH-]2)=C[N-]1"]
["69871590","OC1=NC2CCC=CC2O1"]
["99024133","COC1C=CCC(=CN(C)C)C1=O"]
["173872021","P[Cl+]CC=[C-]C1=C=CCC[CH-]1"]
["196458860","C[Si](C)(C)C#C/C(=C(/[Ge-])[Si](C)(C)C)[Si+]([Si](C)(C)C)[Si](C)(C)[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.C[Si](C)C"]
["54854008","C[N+](C)=C(C#C[Si](C)(C)C)c1ccccc1"]
["98222090","[2H]CC#C[Si](C)(C)C"]
["82942380","CC1(C)OC(CCC(C)(C)[Si](C)(C)O)C(C(O)C#C[Si](C)(C)C)O1"]
["96911496","C[Si](C)(C)C#CC=[C]c1[c-]cccc1.[Li+]"]
["196458752","C[Si](C)(C)[Si+](/C(=C(\\[Ge-])c1ccccc1)c1ccccc1)[Si](C)(C)C.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.C[Si](C)C"]
["180919971","CC(Br)C=N/C(N)=C(\\N)C#C[Si](C)(C)C"]
["90519139","CCCCC#CC(CC)=C(C#C[Si](C)(C)C)CCCC"]
["167230405","C/C(C#C[Si](C)(C)C)=C/C(O)=NCc1ccccc1"]
["148689889","CC[Si](CC)(CC)C1=C(C(=O)C#C[Si](C)(C)C)CC(C)=C(C)C1"]
["84146215","C[Si](C)(C)C#CC(Br)(Br)Br"]
["101709775","C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C#Cc1ccccc1)([Si](C)(C)C)[Si](C)(C)C.[K+]"]
["45511003","[B]=NCS(=C)N=[B]"]
["175099895","C=C/C=N\\C(=C)N(C)CCN(C)C.CC.CC"]
["193570449","C=S(C(C)(C)C)C(C)(C)C.CC(C)(C)S(=O)(=O)C(C)(C)C"]
["176298646","C=NOCCC=O"]
["184382614","C=S(C)c1cccc(CC)c1"]
["180402821","C=S(C)CC(C)=N"]
["78530481","C=S([O])CC#CC"]
["65672491","C=S([B]CC)CC"]
["182269900","C=S(#[N+]N=[N-])[N+](=O)[O-]"]
["174817137","F.[B]=C.c1cc[nH]c1"]
["178202757","C=NOCCN=O"]
["178169762","C=S(CC)CNN"]
["65616643","C1=C[CH-][Se]C=1.[Cl-].[Zn+2]"]
["193346538","C1=C[CH-]NC=1.CC.[Y]"]
["167205766","O=c1cc(Cl)oc2c1C=C=C[CH-]2.[Y]"]
["175351816","C1=Cc2cc3c(cc2C=1)=CCC=3"]
["167600993","C1=C[CH]SC=1.[Cl-].[Zn+]"]
["171894611","[NH-]C1=[N+]([NH3+])[CH-]C=C=C1.[Y]"]
["184887291","CN1C=C=C[N-]1.[Co]"]
["51213749","C1=C[CH-]OC=1.[Br-].[Mg+2]"]
["175147997","C1=C[CH-]N[NH2+]C=1.[Co]"]
["44379529","C1=C[CH-][CH-]C=1.[Y].[Y]"]
["61255929","C1=CC=N[CH-]C=1.[Cl-].[Mg+2]"]
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["101253104","C1=CC2CCC1C1=C2/C2=c3/[n-]/c(c4c3C3C=CC4CC3)=c3\\[nH]/c(c4c3C3C=CC4CC3)=c3\\[nH]/c(c4c3C3C=CC4CC3)=c3/[nH]/c(c4c3C3C=CC4CC3)=c3/[n-]/c(c4c3C3C=CC4CC3)=c3\\[nH]/c(c4c3C3C=CC4CC3)=C3\\[NH2+]/C(=C/1[NH2+]2)C1=C3C2[CH+][CH+]C1CC2"]
["28798088","CCOc1cc(CN2CCC(N=c3[nH]c(-c4ccc(F)cc4)co3)CC2)cc(OCC)c1-c1ccc(F)cc1"]
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["33282207","C1=C[C@H]2CC[C@@H]1c1c2c2cc3nc(cc4sc(cc5nc(cc1[nH]2)-c1ccccc1-5)c1c4[C@@H]2C=C[C@H]1CC2)C1=C3[C@H]2CC[C@@H]1CC2"]
["102928125","C1=CC2CCC1C1=C2c2nc1cc1[nH]c(cc3[nH]c(cc4[nH]c(cc5nc2C2=C5C5C=CC2CC5)c2c4C4C=CC2CC4)c2c3C3C=CC2CC3)c2c1C1C=CC2CC1"]
["101075970","Fc1c(-n2cc3c(c2)C2C=CC3CC2)c(-n2cc3c(c2)C2C=CC3CC2)c(F)c(-n2cc3c(c2)C2C=CC3CC2)c1-n1cc2c(c1)C1C=CC2CC1"]
["184388498","COC(=O)CCc1ccc(-c2nc(C3C=CC(N(C)C)CC3)c(-c3ccc(CN(C)C)cc3)[nH]2)cc1"]
["84135328","C1=CC2CCC1C1=C2c2ccccc2Nc2ccccc21"]
["97645014","C(#Cc1ccccc1)C1=C2N=C(C3=C2C2C=CC3CC2)/C(C#Cc2ccccc2)=c2\\[nH]/c(c3c2C2C=CC3CC2)=C(\\C#Cc2ccccc2)C2=NC(=C(C#Cc3ccccc3)c3[nH]c1c1c3C3C=CC1CC3)C1=C2C2C=CC1CC2"]
["52730247","CCOc1cc(CN2CCC(N=c3[nH]c4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1N"]
["97742983","CC/C(=C1/N=C(C)C2=C1C1C=CC2CC1)c1[nH]c(C)c2c1C1C=CC2CC1"]
["27655343","CCOc1cc(CN2CCC(N=c3[nH]c4cc(OCc5nn[nH]n5)ccc4o3)CC2)cc(OCC)c1F"]
["170675829","N[B-]N[B-]N[B-]N"]
["48508567","N=NNN(N)N"]
["192330865","NNCC(CNN)(CNN)CNN"]
["166795683","O=S1(=O)NN1N=C(O)NO"]
["79576090","Cl.Cl.NNSSNN"]
["63788452","CNNI=[B-]N"]
["48357932","N[B-]=IO"]
["78400219","C/C=C/N[C@H](C)N"]
["186530719","C/C=C/C(N)=C\\NN"]
["78091448","N#CNC(F)C(N)F"]
["78721636","NN1N=N[SiH2]O1"]
["79076520","CCC(C(C)(C)C)S(N)(=O)=O"]
["65765345","[GeH3]O[GeH2]O[GeH2]O[GeH2]O[GeH2]O[GeH3]"]
["181733599","O=P([O-])([O-])O[GeH3]"]
["101177281","C=C[C+]1C=CC=[SiH]1"]
["78085694","[CH](c1ccccc1)c1ccccc1.[Ga]"]
["180874787","NCCC(N)COS"]
["67544051","[GeH3]O[GeH2]O[GeH3]"]
["170551047","CN(C)O[GeH3]"]
["66802602","[CH2-]O[GeH3].[Li+]"]
["173040374","[GeH2]O[GeH3].[SiH3]"]
["79504359","CO[GeH2]OC"]
["178470279","C1=C2CCC13CCCC23"]
["173935744","C1=NCCO1.[Pt]"]
["97906050","O=C/C=C(/C=C\\O)SCl"]
["174826639","O=COC(=O)C(Cl)(Cl)C=O"]
["58058366","O=C(/C=C/O)c1ccc(F)c(Cl)c1"]
["170087726","CS/C(=C\\C=C(C)C)SCl"]
["171798730","C/C(=C\\C=O)S(=O)(=O)O"]
["49357528","COC(=O)C=CO"]
["90668832","CCOP(=O)(OCC)C(Cl)=CC=O"]
["76671745","CCCCCCC(=O)C=CO"]
["79368615","O=S(=O)(Cl)CC=CO"]
["81770798","Cc1nc(C(=O)C=CO)c(C)s1"]
["76782904","C=CCC(=C)C(C)=CC=O"]
["63125633","CCOC(=O)/C=C/O.[Na+]"]
["101282413","C1=N[SeH]=N[SeH]=N1"]
["109298607","I[C@@H]1C=NC=N1"]
["44443334","CCOC(=O)CCC(=O)O.O.c1ccncc1"]
["73907230","[O]S1(=O)=CN=C=C1"]
["182353486","C[Si](C)(C)OC1=COS(=O)(=O)C1"]
["25508206","COC1=NS(=O)(=O)C=C1Br"]
["81117944","COC1C(=O)C=CN=C1Cl"]
["178122127","Oc1cnc(I)[nH]1"]
["176434235","[Au+].[c-]1cn[nH]c1"]
["156297474","CO/C(N)=C1\\N=CN=N1"]
["174488471","ClOCl.[Ag].c1cnnnc1"]
["189809473","O=C1C=C(Cl)C(I)C=N1"]
["170560856","I[s+]1ssssss1"]
["195929829","I[S+]1CCSCC1"]
["172804441","O=C(O)[s+]1ssss1"]
["27141579","CC1(C)CCOC(=O)OC1"]
["179864202","Cc1nn(C)[cH-]c1=II"]
["185052040","CCC1N(I)C=NN1C(C)C"]
["91591561","s1ss[te][te]ss1"]
["194119769","o1ssssssss1"]
["193698096","o1ssssss1"]
["172727598","S[s+]1[nH]sss1"]
["78082509","n1nssss1"]
["179172291","I[S+]1CC2CCCCC2C1"]
["173574710","O=S(O)CCCCNC(=CC=C1CCC(C=CC2=[N+](CCCCS(=O)O)C3C=CC=C4C=CC=C2C43)=C1Cl)C1=CC=CC2=CC=CCC21"]
["100274995","CCCCCCCCCCCCN1C(=CC=C2CCCC(C=CC3=[N+](CCCCCCCCCCCC)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)C2[C+]3CCCCC3CCC21"]
["55536280","O=C1N=C2C=CC=CN2C(=O)C1=C(O)NCCC[n+]1cc[nH]c1"]
["175196484","Cc1cc(N([C@H]2CCN(CCOCCCCNC(O)=NCCCCN=C(O)NCCOCCN3CC[C@H](N(c4ccc(O[C@H]5c6cc(Cl)cc(Cl)c6C[C@@H]5N(C)C)c(C)c4)S(=O)O)C3=O)C2=O)S(=O)O)ccc1O[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1N(C)C"]
["179291940","CCCS(=O)(=O)ON1C(=O)C2C=CC=C3C=CC=C(C3CC2)C12CO2"]
["174603705","C=NC(O)C/C=C/C(NCCN1CC=C(CC2C=CC(Cl)=CC2)CC1)OCC"]
["99862062","O=S(=O)(O)CCCCN1C(=CC=C2CCC(C=Cc3ccc4ccccc4[n+]3CCCCS(=O)(=O)O)=C2Cl)CCc2ccccc21"]
["180050844","CNC1CCC(Cl)CC1C(C)(C)C(I)/C=C/C1=C(Cl)/C(=C/C=C2/N(C)C3CCC(Cl)CC3C2(C)C)CC1"]
["150300359","CC=CC(C)C(C=CCCCCC=c1ccccc1=CC=C1CCC2CCC=C3C=CC=C1C32)=CC"]
["179062566","O=C1[NH+]=C(O)CCC1N1C(=O)C2=CC=CCC2C1=O"]
["149985684","CC(=O)C1C(=O)C(C(C)C)[C@@]2(C)C[C@@]3(C)Cc4c(C(C)C)cc(CCCC5=CC=CC5C)c(O)c4C(=O)C3C(=O)[C@@]2(O)C1=O"]
["179958699","CCN/C(NC=N)=C(\\N)C(C)NC(C)C1=CC2=CC=CC(C)C2C(=O)N1C1=CC(F)=CCC1"]
["174067366","C[C@@H]1[C@H](C)[C@H](C)[C@@H]2[C@H](C)B3[C@H]([C@@H](C)N(C(C)(C)C)[C@@H](C)[C@H]3C)[C@H](C)N2[C@H](C)[C@@H]1C"]
["164220554","CC(C)(C)C1CC2C[C@@H]2N1C(C)(C)C"]
["169751517","CC1C2CC(C(C)N1C(C)(C)C)C2C(C)(C)C"]
["199866592","C[C@@H]1COC[C@H](C(F)(F)F)N1C(C)(C)C"]
["172522475","CCB1CCN2C(C)C(C)C(C)C(C)C(C)C(C)CC2C1C"]
["172149025","CC1C(C)N(C(C)(C)C)CCN1C(C)(C)C"]
["189165004","CC1C2CN(C3CN(C(C)(C)C)C3)CC12"]
["93514076","CC(C)(C)C1N=C(O)CCN([C@H]2CC[C@H](C)CC2)C1=O"]
["173547147","CC1CN(C)CC(C)N1C(C)(C)C"]
["198497164","C[C@@H]1B2C([C@@H](C)N(C)[C@@H](C)[C@H]2C)[C@H](C)N(C)[C@@H]1C"]
["199774386","CC(C)(C)N1CC2COCC(C1)N2C(C)(C)C"]
["184639491","C[C@@H]1C[C@H]2C[C@H]2N1C(C)(C)C"]
["192297012","C=C(C(=O)N1C=CCC1C(=N)O)C12CC3CC(CC(O)(C3)C1)C2.[C-]#[N+]C1CC2CC2N1C(=O)C(=C)C12CC3CC(CC(O)(C3)C1)C2.[C-]#[N+]C1CC=CN1C(=O)C(=C)C12CC3CC(CC(O)(C3)C1)C2"]
["57239239","C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(N=C(O)C23CC4CC(CC(C4)C2)C3)s1"]
["MCULE-6411541285","Cc1ccc(C2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C23CC4CC(CC(O)(C4)C2)C3)cc1"]
["94737985","Cc1c[nH][nH]c1=NC(=O)C12CC3CC(CC(C)(C3)C1)C2"]
["190529357","[C-]#[N+]COc1ccc2c(O[C@H]3C[C@@H](C(=O)C[C@]4(C(=O)OC)C[C@H]4CC)N(C(=O)[C@@H](CC(=O)OC4C[C@@H]5C[C@@H]5C4)C(C)(C)C)C3)cc(-c3csc(CC(C)C)n3)nc2c1Cl"]
["109007804","COC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)cc1"]
["142010631","N=C(O)C1COCCN1C(=O)C=Cc1c(F)cccc1F"]
["MCULE-8932704090","CCCCC(NC(=O)c1ccc(OC(C)=O)cc1)C(O)=NC12CC3CC(CC(O)(C3)C1)C2"]
["7688703","CC(=CC(O)=NCc1ccc(C(=O)N(C)C)cc1)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2"]
["30525640","COC(=O)C(N=C(O)C12CC3CC(CC(C(=O)OC)(C3)C1)C2)C(C)N1CCNCC1"]
["MCULE-4774094809","O=C(NCC(O)=NC12CC3CC(CC(O)(C3)C1)C2)c1ccc(Br)cc1"]
["MCULE-5101562380","CN(CCC(=O)O)C(=O)Oc1cccc2c(N=C(O)C34CC5CC(CC(C5)C3)C4)cccc12"]
["171998643","S[Si]#[Si][Si]#[Si][Si-]=c1cccc2c(=c3ccc(=C4c5ccccc5C(=[N+](c5ccccc5)c5ccccc5)c5ccccc54)cc3)cccc12"]
["184772694","O=C1c2ccccc2C(O)(C#Cc2ccccc2)c2ccccc21"]
["83649906","Cc1cccc(N=C(O)COC(=O)C2N=NC(=O)c3ccccc32)c1C"]
["7253586","CCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H](OC(=O)CC)c1ccccc1"]
["194757165","CC1(C)c2cccc3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)c4cccc1c4c23"]
["MCULE-5805547109","COc1c(F)cccc1-c1cccc(C#N)c1NC(=O)C(c1ccccc1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["MCULE-1732979580","Cc1nn(C)c(C)c1-c1cnc(N=C(O)CN2C(=O)c3ccccc3C2=O)nn1"]
["MCULE-4748739820","CCCCN(C(=O)COc1ccc(F)cc1)c1ncc(-c2ccccc2OCC)cn1"]
["MCULE-8373665855","COc1c(F)cccc1-c1ccc(C)nc1N=C(O)COc1ccc(C(C)=O)cc1"]
["MCULE-4201477341","CCCCN(C(=O)c1csnn1)c1ncc(-c2ccccc2OCC)cn1"]
["MCULE-3910932167","COc1c(F)cccc1-c1ccc(NC(=O)CCOc2ccccc2)cc1C"]
["MCULE-7021188136","O=C(COc1ccccc1)N=c1ccc(-c2ccccc2OC(F)(F)F)n[nH]1"]
["76042512","COc1c(C(=O)O[C@]2(C(=O)SCF)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C(O)[C@]5(C)[C@@]4(F)CC[C@@]32C)csc1Cl"]
["48132416","CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3C=C(OC(=O)CC)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C"]
["163562980","CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@H]3C=CC4=C(Cl)C(=O)[C@@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@@]21C"]
["MCULE-9604778859","CC12CC(=O)CC1(C)C1(CO)CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2C1(F)F"]
["82309360","CCC(=O)OCC(=O)C1(OCOC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(OC(=O)C(F)(F)F)CC21C"]
["161848125","COc1ccc(CC(=O)C2([C@H](O)CC=C(C)C)CC(=O)c3c(O)ccc(O)c3C2=O)cc1"]
["28690558","COc1nc(C(=O)O)c2c(c1OC)C(=O)N(CC1C=CC(F)=C(Cl)C1)CC2"]
["195048898","CCC1=CC2=C(C#CCc3cc(O)c(OC)cc3C3Oc4c(ccc5c4C4(CCC(C4)C2CCc2ccccc2)Cc2cc(O)cc(OC)c2-5)C3COC(C)=O)NC1N"]
["51130362","COCO[C@]1(C(=O)CCl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C"]
["MCULE-4379562726","COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)C2c2ccccc2)cc1Cl"]
["168782399","C/C=C(/C)C(=O)O[C@H]1C(C)=CC23C(=O)C(C=C(CO)[C@@H](OC(C)=O)[C@]12O)[C@H]1[C@@H](CC3C)C1(C)C"]
["82797003","CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(O)=NC2CCOC2=O)O1"]
["173722487","[B+][B-](=[B+])B(C[B-](=[B+])[B-]([B+])=[B+])CC1=C2C(=O)N(N3CCC[C@H]3C=O)NC(NN3CCC[C@H]3C=O)=C2[N-]N1C[B-](=[B+])CC"]
["33023210","COC[C@@H]1CCCN1N[C@H](C)CCS(=O)(=O)OC1CCCCC1"]
["116733387","CCN=C(NC1CCN(C(=O)C(C)C)C1)NC1CC1c1c(F)cccc1Cl.I"]
["MCULE-8910380240","CCN1C(=O)C(NC2CCCCC2C)=C(c2ccc(OC(C)C)cc2)C1=O"]
["46130436","C=CCOC(=O)C(=O)N1C(=O)[C@@H]([C@@H](CO[Si](C)C)C(C)(C)C)[C@H]1CC(=O)C1C[C@@H](COC)N(C(=O)OCC=C)C1"]
["94573191","CCc1nc(C(=O)N2CCCC2CNC)n[nH]1"]
["63193104","O=C(C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)N1CCc2ccccc2C1"]
["179968115","CNCCNc1cccc2c1nc(CN1CCC[C@H]3CCc4cccnc4[C@H]31)n2C(=O)OC(C)(C)C"]
["52278959","CCCCOc1c2n(ccc1=O)NC1CCCN1C2=O"]
["99945649","CCS(=O)(=O)c1ccc(OC(F)(F)F)cc1NN=C(O)c1ccc(CN2CCC[C@H](NC)C2)c(C(F)(F)F)c1.Cl"]
["131595286","CCCC(C)CC(=O)N1CCCC1c1csc(C)n1"]
["126811583","CCCC(C)C1CCCN1C(O)=NC(C)c1cccc(S(=O)(=O)NC)c1"]
["110922277","CN(C)C1=CC2=CC1=CC=C1CC(=C3C=C(C=CC4=C(N(C)C)C=C2C4)C(N(C)C)=C3)C=C1N(C)C"]
["97933252","CN(C)C1=CC=C[C]1Cn1ccnc1"]
["53127060","CO[C]1C=CC2=CCCC2=C1"]
["188114220","CO[NH+]1C=CC(=C2C=C3C=CC(=O)C=C3CCC2)C=C1"]
["149784358","CCCCn1c(C)cc(=O)c2c1CC(O)=NC2=O.CCCCn1c(CCC)cc(=O)c2c1CC(O)=NC2=O"]
["96727648","CC1=CC(C)=C2C3=C(C=CC(C)=C2C(C)=C1)COC3"]
["98581174","CN=C1C=CN2CC=CC(N(C)C)=C2C1"]
["169939128","CC1=CC2=Cc3c(cc(N(C)C)c(C)c3C)CC2=CC1N(C)CCCC(O)=NC(C)(C)C"]
["68423504","COC1=CC2=C(C=CC=C(OC)C2)C=CC1"]
["74172882","O=C1C=C2C=C[C](O)C=C2C1"]
["180561777","CCCC1=C(N(C)C)C=CC(Cl)C1"]
["74166145","CN(C)[C]1C=CC2=C3C=CC(N(C)C)=C=C3CC2=C1"]
["173926845","[B+]C(OC([O-])c1ccc(C([B+])([B+])[B+])cc1C([B+])([B+])[B+])[c-]1[cH-]cc(C([B+])(C(=O)Nc2cc3c[cH-][n-]cc-3[cH-][cH-]2)C([B+])([B+])[NH-])[cH-][cH-]1"]
["172387052","CC(C)(C)c1cc(C(C)(C)C)c(OC(CCCC(F)(F)F)c2ccc(C(N)=O)cc2)c(C(C)(C)C)c1"]
["61421360","CC(C)(C)c1cc(NC(=O)OCC(Cl)(Cl)Cl)on1"]
["73676388","CC(c1ccc(Oc2ccc(C=O)c(C(F)(F)F)c2)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F"]
["173710321","COc1cc(NC(C(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OC2CC(C(=O)O)C2)c1"]
["46725364","CC(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nc(C(C)(C)C)no1"]
["183825226","CC(C)(C)c1ccc(C(CCCCCCCP(C)([O-])([O-])[O-])c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1"]
["23080608","COC(=O)C(C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1nc2ccc(Cl)cc2[nH]c1=O"]
["MCULE-1055599507","CCC(C)(N=C(O)CC(c1ccc(C(C)C)cc1)C(C)C)C(=O)Nc1ccc(Cl)c(C)c1"]
["139320156","CC(C)(C#N)COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1"]
["34235358","CCSc1c(Cl)cc2cc(C(CCC(F)(F)F)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1SCC"]
["171508632","CC.[B+]=C1CC=CC=C1CNCCCOC(=O)C(C)(C(C)(C)C)C(C)(C)C(C)(C)C(CC(C)(C)C)c1ccc(C[S-])cc1"]
["148621404","CC(=S)C(=S)C(=S)C(=S)C#CB(B(B=N/N=N/B=S)N=C=S)S(=S)C(=S)C(=S)C(=S)C(=S)C=S"]
["172031985","CC(=S)C(=S)C(=S)C(=S)C(=S)C(=S)C(=S)C(=S)S(=S)(=C=C=S)C(=S)C(=S)C(=S)C(=S)C(=S)C(=S)C(=S)C=S"]
["173646675","CC(=S)C(=S)C(=S)C(=S)C#CB(B(B=NN=NB=S)N=C=S)S(=S)C(=S)C(=S)C(=S)C(=S)C=S"]
["101236260","C/C(=C\\C=O)c1ccccc1N=C=S"]
["174598502","C/C(=C(/S)C(=S)C(=S)C=S)c1ccc(F)cc1"]
["172031986","CC(=S)C(=S)C(=S)C(=S)S(=S)(=C=C=S)C(=S)C(=S)C(=S)C=S"]
["170546568","CSC(/N=C/c1cc(N=Nc2ccccc2)ccc1[O-])=N/N=C(C)/C=C(\\[O-])c1ccccc1.[O-2].[V+4]"]
["195416008","CC(=N)NCCC#CC(=S)C(=O)O"]
["150288461","S=CC(=S)C(=S)C(=S)C(=S)C(=S)C(=S)C(=S)C=S"]
["170546574","CO.CSC(/N=C/c1cc(N=Nc2ccccc2)ccc1[O-])=N/N=C(C)/C=C(\\[O-])c1ccccc1.[Zn+2]"]
["176271790","[B+]=c1c([O-])c(C2=C(C(C)NC3=NC=NC(=N)C3=[C-]N)C=C3[N-]C=C(Cl)N3[N-]2)c(=[B+])c(=[B+])c1=[B+]"]
["113650636","CC(Nc1c(Cl)cc(Cl)c2nsnc12)c1ccnn1C"]
["113286248","CC(NCc1ncon1)c1cc(Cl)sc1Cl"]
["120327196","CC(Nc1c(N)cc(N)c(Cl)c1F)c1cn[nH]c1"]
["104978685","C[C@H](Nc1ncc(N)cn1)C(=N)O"]
["58920537","CCOc1c(CNC(C)CC)cc(Cl)cc1OC"]
["113650811","CC(NCC1Cc2ccccc2O1)c1ccnn1C"]
["144931431","COCc1cc(Cl)cc(OC)c1CNOC"]
["106075935","C[C@H](Nc1ccc(C(=N)O)c(Cl)c1)C(=O)O"]
["171548784","COc1cc(C(C)=O)c(NC(=O)Cc2nc(C(C)C)cs2)cc1Cl"]
["193623942","CC(C)Oc1cc(-c2ncn(/C=C\\C(O)=NN)n2)cc(Cl)n1.CC(C)Oc1cc(-c2ncn(/C=C\\c3nnco3)n2)cc(Cl)n1"]
["180763367","CC(Nc1cc(N)cc(=N)[nH]1)C1=CC=C(F)CC1"]
["178923177","[CH2-]CC[Te]12(CCCO1)OO[Te]13(CCCC1)(CCCO3)O2.[U]"]
["160383735","O=C(c1csc(O)n1)N1CCC(OCC2CCCCO2)CC1"]
["133561415","O=C(C=C(c1ccccc1)C(F)(F)F)OCC1CCCCO1"]
["32734308","C1CO[Te]23(C1)(CCCO2)OO[Te]12(CCCO1)(CCCO2)O3"]
["11675879","O=C(OC[C@H]1CCCO1)c1cccc(Cl)c1"]
["105438502","O=C(c1cc2ccccc2[nH]1)N(C[C@H]1CCCO1)C[C@@H]1CCCO1"]
["119933487","COC(C)(C)CC(=O)CC1CCOc2ccccc21"]
["129780822","O=C(CC1CCOc2ccccc21)Oc1ccc(F)cc1"]
["150781462","O=C([C@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@H]2CCOCC1CC1"]
["126394732","O=C(NCC1CCOc2ccccc21)C(=O)Nc1ccc(OC2CCC2)c(F)c1"]
["46916778","O=C(O)CCCCCOCC1CCCCO1"]
["124854781","CCN(CC)C(=O)c1ccc(OC(=O)CC2CCOc3ccccc32)cc1"]
["195794170","Fc1nc(F)c(F)c(-c2nc(I)oc2-c2oc(I)nc2-c2c(F)c(F)nc(F)c2F)c1F.[C-]#[N+]C([N+]#[C-])c1nc(-c2c(F)c(F)nc(F)c2F)c(-c2oc(C(C#N)C#N)nc2-c2c(F)c(F)nc(F)c2F)o1.[C-]#[N+]CC#N"]
["MCULE-2489564145","COc1ccc(-c2ccc3oc(C(O)=Nc4nc(C)ncc4C#N)cc(=O)c3c2)c(F)c1"]
["MCULE-6232013051","CCc1ccc(C(C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1"]
["MCULE-7996675928","Cc1nc(=NC(=O)c2c(F)ccc(-c3ccnn3C3CCCCO3)c2F)c(C#N)c[nH]1"]
["MCULE-3442324244","N#CCc1ccc(-c2cccnc2N=C(O)Cc2cc(F)cc(F)c2)cc1"]
["113417598","N#CCCCc1nc(-c2cc(F)c(F)c(F)c2)no1"]
["32719552","N#CCc1ccc(CNC(=O)c2ccc(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)cc2)cc1"]
["61987896","[C-]#[N+]c1ccc(OC(=O)c2ccc(/C=C(\\C#N)C(=O)OCC)cc2)cc1"]
["123898561","Cc1cc(Br)cc2cc(C(O)=NC(C)CC#N)oc12"]
["MCULE-5346496657","N#Cc1cc(F)ccc1-c1ccc2oc(N=C(O)Cc3ccsc3)nc2c1"]
["189264223","CC(C)c1ccc(C(F)(F)F)c(-c2c(F)c(F)nc(F)c2F)c1"]
["MCULE-5175129326","N#CCCC(O)=Nc1nc2cc(-c3cc(F)ccc3F)ccc2o1"]
["145702997","CC(C)C[Si]1c2cccc(c2)[Si+]=[Si-](CC(C)C)(CC(C)C)c2cccc(c2)[Si]1(CC(C)C)CC(C)C"]
["85961407","CCC(C)C(O)COc1cccc(COC)c1"]
["84222703","C#CCN[C@H](C)c1cccc(F)c1"]
["45958298","Cc1cccc(C)c1OCCNCCC(C)C"]
["114451363","CC(C)CNCc1ccc(COc2cccc(F)c2)s1"]
["58822668","CCCNCc1cc(N(CC)C(C)C)c2ccccc2n1"]
["51211901","CCCC(C)CC(CNCC(C)C)Cc1cccc(Cl)c1"]
["53167036","CCCN(CCC)S(=O)(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1"]
["14669453","CC(C)CCOc1cccc(NC(O)=N[C@@H](C)c2ccc3c(c2)CC(O)=N3)c1"]
["17563371","CN(Cc1cccc(Cl)c1)C(=O)c1cccc2ncccc12"]
["164466507","Cc1nc2ccccc2[n+]([O-])c1C(C)O"]
["119936288","CC(CCCN)Oc1cccc2ncccc12"]
["178334301","CCC(C[Si](OC)(OC)OB(OC)OC)OC1CCC(COC[Si](OC)(OC)OB(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC)CC1OC"]
["66136338","CCC(CC)C(C)N=c1ccc(N)c(OCC2CC2)[nH]1"]
["51314790","COC1CC([C@@H]2CC(O)=Nc3c2c(=O)n(C)c2nc4ccccc4n32)CCC1OCC1CCC(F)CC1"]
["85836954","CN(CCOCC1CC1)CC(O)=NCCN"]
["187664320","COCC[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](C[C@@H](OC)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](O)C(=O)C(C)C)[C@H](N)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)O1"]
["143446684","CCC(CC)CS(=O)(=O)NC1CCCCN=C1O"]
["156107676","CCOC(=O)c1ccc2nc([C@H](CC)O[C@H]3CCC[C@H](C)C3)[nH]c2c1"]
["186367946","CCC1CC2CCC(COC)CC2C1"]
["148314859","CCC(C)OCC(O)=NC1CC(N(CC(=O)O)CC2CC2)C1"]
["143525523","CCOCC1CCN(CC(C)c2ccc(OC)cc2)C1"]
["194897991","CCN1C[C@]2(COC(=O)c3ccccc3N=C(O)C[C@@H](C)C(=O)O)CC[C@@H](OC)[C@]34[C@@H]5C[C@@H]6[C@H](OC)[C@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14"]
["3770065","Cc1ccc(OCC(O)=NNC(O)=NCCCOCC2CC2)cc1C"]
["179218194","c1[nH]nc2c1CN([n+]1cc3c([nH]1)CN(c1nc4c([nH]1)CNCC4)CC3)CC2"]
["163445383","Cc1nc2c([nH]1)CN(C(=O)OC(C)(C)C)CC2"]
["127912467","CN1CC(=O)N(CC(O)=NC2CCc3n[nH]cc3C2)C1=O"]
["175737336","C(#Cn1ncc2ccccc21)c1ccnc(-c2ccnc(N3Cc4c[nH]nc4C3)n2)n1"]
["90136133","Brc1ccc2c(c1)-c1c[nH]nc1CC2"]
["190029131","CSc1nc2c(c(ON(N)c3ccccc3N)n1)CNCC2"]
["31740397","CN=C(O)CCCN=c1[nH]c(N2CCC(Oc3ccccc3C(C)C)CC2)nc2c1S(=O)CC2"]
["469745","COc1cc2nc(N3CCN(c4nccc(N(C)C)n4)CC3)[nH]c(=N)c2cc1OC"]
["80175946","O=C1N=C2C=CC(c3cn[nH]c3)C=C2C=C1c1cc2cc(CN3CCOCC3)ccc2[nH]1"]
["158252938","O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCc2n[nH]cc2C1"]
["31554427","C[C@@H]1CN(c2ccc(C(=O)O)cn2)C[C@H](C)N1CC(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1"]
["186183597","Cc1nc2c(c(=NC(C)c3ccccc3-n3cccn3)[nH]1)CCNCC2.Cl.Cl"]
["180940778","CCC1C(NCOCC[SiH](C)C)NC=NC1C1C=NN1"]
["81944743","COCCNC1NNC(C)C1c1ccc(OC)c(OC)c1"]
["95636860","CCC1CCN(C(O)=Nc2cn[nH]c2)C(C(=O)O)C1"]
["178615234","CCC1C(CCCC=C2NCCN2)CCC2C=NNC21"]
["53175727","CON1C(C)(C)CC(NCCOCCOCNC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C"]
["186215790","CC[C@H]1C[C@H](n2ccnc2-c2c(F)cccc2OC)CCN1.Cl.Cl"]
["147092851","CCOC1CC(NC(=O)c2cc(C)[nH]n2)(C(=O)O)C1(C)C"]
["147912129","CCc1nc(=NC2CCN(c3cc(OC)cc(OC)c3)C2=O)s[nH]1"]
["172958808","CCC1C(O)=NCC(C)(C)[C@H](C(C)C)/C=N/N[C@@H]1CC"]
["92184925","CCc1c[nH]nc1N=C(O)CC1CCCCC1"]
["83043599","CCC1C(c2ccc3c(c2)cc(CNCC2CCCCCC2)n3C)N=C(O)C(C(=O)O)C1O"]
["91502517","CCC1N=C(NN)CC(N2CCCCC2)N1"]
["184961355","COC(=O)C1=CC=C(C(=O)OC)C(N=NC(=C(C)O)[N+](=O)N=C2C=CC(=NC(=O)C(N=NC3CC(=C(O)OC)C=CC3=C(O)OC)=C(C)O)C=C2)C1"]
["146982508","COC(=O)c1cc(-c2csc(N=C(O)CC(CN)OC)n2)c[nH]1"]
["110612208","COCc1nc(C(O)=N[C@@H]2C[C@@H](CO)c3ccccc32)cs1"]
["48524118","COC(=O)C(C)N=C(O)c1ccc([N+](=O)[O-])cc1F"]
["105842128","COC(=O)c1cc(C(O)=N[C@H]2CCc3c(F)cccc32)cc([N+](=O)[O-])c1"]
["170062313","CC(C)(C)OC(=O)N1C[C@@H](CCCNc2nc(S(=O)(=O)N=C(O)c3ccc(-n4ccc(OCCCC5(C(F)(F)F)CC5)n4)nc3Cl)ccc2OCc2ccccc2)CC1(C)C"]
["90511597","COC(=O)C1(C)CC(OC(C)=O)C(C)=CC1=O"]
["63833256","CCCCCC(OCc1ccc(OC)cc1)c1ccc([C@H]2C(=O)C(OC(C)=O)=CC2CCCc2ccc(C(=O)OC)s2)cc1"]
["170639329","COC(=O)C1=CC(C(=O)c2cc(C)ccc2O)=C2SC(C)=C(C)N2C1C(=O)OC"]
["11917244","CCOC(=O)C1=C(C)N(CC(O)=NCCOC)C(=O)C[C@H]1c1ccc(Cl)cc1"]
["145655363","C=C(OC)[C@@H]1CC(C(=O)OC)=CN1"]
["191170582","CC(O)=NC1CCCC(O)(C#Cc2cccc(C)c2)C1.COC(=O)N(C)C1CCCC(O)(C#Cc2cccc(Cl)c2)C1"]
["178942631","FC1(F)C2(OCCO2)C2=C=C(C3=I[C-](c4cc5c(s4)C4(OCCO4)C(F)(F)C54OCCO4)[CH-]C3)I=C2C12OCCO2"]
["192135571","Brc1cc2c(s1)-c1sc(Br)cc1C1(OCCO1)C21OCCO1.O=C1C(=O)c2cc(Br)sc2-c2sc(Br)cc21.OCCBr"]
["166308520","COCc1c(C(=O)N2CCC3(CC2)OCCO3)sc2cccc(F)c12"]
["193901673","Fc1ccc(CBr)c(CCBr)c1F.O=C1CCc2ccc(Br)cc21.O=C1c2cc(Br)ccc2CC12CCc1c(ccc(F)c1F)C2"]
["150333898","BrC1=CCC2(OCCO2)C2(OCCO2)c2cc(Br)sc2CS1"]
["191945330","CC1OCCC1(O)c1cc(N=C(O)C(F)(F)F)c(C(=O)O)s1.COC(=O)c1sc(C2(O)CCOC2C)cc1N"]
["74819487","CC1(C)OCC(S)=NC(C)(c2cc(-c3nc4ccc(Cl)cc4o3)c(F)cc2F)C1(F)F"]
["188806607","C[C@H]1C[C@@]2(C[C@@H](c3cn(CCC4CCCOC4)nn3)N1)OCC(F)(F)c1cc(Cl)sc12"]
["27311927","Cc1nn(-c2ncccc2CN)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12"]
["191984324","Fc1cc2c(s1)-c1sc(F)cc1C1(OCCO1)C21OCCO1.O=C1C(=O)c2cc(F)sc2-c2sc(F)cc21"]
["30616175","Cc1nn(-c2ncccc2Cl)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12"]
["180566916","CS(=O)(=O)c1sc(-c2cc(F)cc(Cl)c2)c2c1C1(OCCO1)C(F)(F)C2"]
["179098721","CI(I)c1coc(=II(I)c2ncc(CI(I)c3cnc(I)o3)o2)[n-]1"]
["MCULE-7831958031","CC(C)(C)OC(O)=Nc1ccccc1-c1cncc2sc(CO)cc12"]
["126698610","CC(C)(C)c1cnc(SCc2ccc(Br)cn2)o1"]
["194378968","COC(=O)c1coc(C(=O)CBr)n1.COC(=O)c1coc(C(CBr)(OC)OC)n1"]
["120494261","CC1(c2ncc(CCC(=O)O)o2)CC1"]
["159131782","CC[C@@H](C)c1ncc(CCl)o1"]
["27653509","CCCCOc1cnc(-c2nc(C(=O)OC)co2)cc1OCCCC"]
["61972744","CNCc1coc(COCCOC(C)C)c1"]
["180255382","CSc1nc2ccc(I(C)I)cc2s1"]
["46636061","Cc1nnc(Cn2cnc(C)c(I)c2=O)o1"]
["74378355","CCc1cnc(OC=C2SC(=S)N=C2O)o1"]
["176205730","C[C@@H]1CN[C@H](CNc2ncc(C(F)(F)F)cn2)[C@H](C)O1.Cl"]
["103016171","CC(C)(C)C[N-]c1cc(=[NH+]CC(C)(C)C)c(=[OH+])[cH+]c1=[OH+]"]
["79610995","CN1c2cccc(CO)c2Sc2c1cccc2C(C)(C)O[SiH2]C(C)(C)C"]
["133898746","CCC1CN(S(=O)(=O)c2cc(F)ccc2Cl)CCN1CC(C)O"]
["114170721","CC(C)(CNc1ccc(C(=N)S)c(Br)c1)S(C)(=O)=O"]
["145007762","COc1ccc(C(C)(C)CO)cc1C1CCC(C)CC1"]
["102297718","CC(C)(C)c1ccc(OCCN=C(O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1"]
["116802938","Cc1ccc(C(O)=NC(C)(CO)C2CC2)c(Br)c1"]
["184526561","CCC(C)(Nc1ccc(C(C)(C)N)cc1)c1ccc(N)cc1"]
["58791513","CC(C)(CO)c1cc(C(=N)O)on1"]
["91088203","CC(C)(C)Cc1c(C(C)(C)C)cccc1C(C)(C)C"]
["30031832","CN=c1cc2c(c[nH]1)cc(-c1cc(N=C(O)Nc3cc(C(C)(C)C)nn3C)c(F)cc1C)c(=O)n2C"]
["176761169","CC1C(=O)C(C(=N)Nc2ccc(NS(C)(O)O)cc2S)=C(O)c2ccccc21.CCC(C)(C)C"]
["76193542","C1=CC=C2OC(c3cc4c(cn3)OCC(c3cnc5c(c3)OC(c3ccc6c(n3)OCC(c3cc7cccnc7n3-c3cnc7snnc7c3)O6)CO5)O4)CO[C]2C=1"]
["73479382","C1=CC=C2OC3CCCC=C3[C]2C=1"]
["183887292","CCCC(Cn1ncc(O)nc1=O)NCC1COc2ncccc2O1"]
["66561026","Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(C3COc4ccccc4O3)n2C)cc1"]
["MCULE-6284691880","CCc1ccc(OC(O)=Nc2ncccc2OC(C)C(=O)c2ccc3c(c2)N(C)C(=O)C(C)O3)cc1"]
["133568004","O=C(OC1COc2ccccc21)c1cc(Cn2cc(Br)cn2)on1"]
["176861114","c1cnc2c(c1)OC[C@H](c1ccc(C34C[C@H]5CC[C@@H](C3)N54)cc1)O2"]
["161369437","COc1nccc(-c2ccc3c(c2)CCN2C3=CC(OCC3COc4ncccc4O3)=NC2O)c1Cl"]
["CSSS20621739746","FC(F)(F)c1cc2cccnc2n1Cc1ccc(Cl)cn1"]
["161321772","CCCCNCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O"]
["28796598","COCCn1c(C(=O)N2CCC(c3cccc(CN)c3)CC2)cc2cccnc21"]
["MCULE-2781085539","O=C1N=C(O)CCC1N1C(=O)c2cccc(NCC3(Cn4cc(C(=O)N5CCC(Cc6ccc7ncccc7c6)CC5)cn4)CC3)c2C1=O"]
["110911432","COc1c2cc(N(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OC[C]1N(C)C=CN1[B+]C#N)Cc1cc(N(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCC1N(C)C=CN1[B+]C#N)Cc1cc(N(C)C)cc(c1OC)CC1=CC(C(C)(C)C)=CC(=C2)C1=[O+]C[C-]1N(C)C=C[N+]1=BC#N"]
["28734866","COc1ccc2ncc(N(C)C)c([C@H](F)CCC3(CO)CCN(CCC4CCCCC4)CC3)c2c1"]
["174804053","C#C.C/C=C(\\CC/C=C\\CC(C)(C)Cn1cc(C#N)c(=O)c2cc(F)c(N(C)C)cc21)C(F)(F)F"]
["103095464","CC(C)(C)c1cc2c(OCc3ccc([N+](=O)[O-])cc3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1ccc([N+](=O)[O-])cc1)Cc1cc(C(C)(C)C)cc(c1OCc1ccc([N+](=O)[O-])cc1)Cc1cc(C(C)(C)C)cc(c1OCc1ccc([N+](=O)[O-])cc1)C2"]
["97088921","COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OP1OCc3c(ccc4ccccc34)O1)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OP1OCc3c(ccc4ccccc34)O1)C2"]
["77333464","CCC12C=CCN3CCC4(c5cc(C6C7CC(C(C)(F)F)CN(CCc8c([nH]c9ccc(C)cc89)C6C(=O)OC)C7)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32"]
["147873646","COc1c2cc(C(C)(C)C)cc1CC(=O)Cc1cc(C(C)(C)C)cc(c1OCc1ccccc1)CC(=O)C2"]
["97039525","CCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)cc(c1OCCC)Cc1cc(C(C)(C)C)cc(c1OCCC)C2"]
["75762254","COCOc1c(OC)c(C)cc2c1[C@@H]1C3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@H](CN=C(O)[C@H](C)N=C(O)OC(C)(C)C)N3C(C#N)[C@H](C2)N1C"]
["33900563","CCCSCCCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCCCCSCCC)Cc1cc(C(C)(C)C)cc(c1O)C2"]
["SN0460941","CCOC(=O)C1=CC(=CCn2ccnc2[N+]2=CN=C3C([O-])=NC(=N)N=C32)c2c(OC)c3c(c(CO)c2O1)OC(C(C)(C)O)C3"]
["168307428","CCCC(=O)Oc1c(OC)c(C)cc2c1[C@@H]1C3Cc4c(OC(C)=O)c(C)c5c(c4[C@H](CN=C(O)[C@H](C)N=C(O)C(F)(F)F)N3[C@@H](C#N)[C@@H](C2)N1C)OCO5"]
["101078581","n1n2n[n+]3[n-]n4n[n+]5[n-]n6[n-][n+]7nn8[n-][n+]1c1c2c3c4c5c6c7c18"]
["97506148","C[n+]1nn2nccc2[n-]1"]
["173075664","CC1=C[N-]N(C)N=C1.[Cr]"]
["168137353","C[N+]1=C2C(O)=C(C=[N-])CN=[N+]2C=C1"]
["102897007","CCCN=c1c([NH2+]CCC)c([NH2+]CCC)c(=[NH+]CCC)c1=NCCC"]
["113462581","CCCN=c1[nH]c(C)cn1-c1cccc(OC(C)CC)c1"]
["42492341","CCCN=c1[nH]c(C(C)CC)cs1"]
["68741692","CCCN=c1cc(C)[nH]c2c(C)c3nc(C)cc(NCCC)c3cc12"]
["85287461","CCCCCCCCOCc1c[nH]c(=NCCC)s1"]
["114216760","CCCNc1cc(=NCCCCCO)[nH]c(C(C)(C)C)n1"]
["50233373","CCCN=c1[nH]c(C2CCC(C)C2)nc(CCC)c1Br"]
["CSSS02860176906","CCN(CC)CCN=c1ccc(-c2cc(CN(C)C)ccc2F)c[nH]1"]
["86467553","CCNc1cc(=NCCN(CC)CC)[nH]c(C(C)(C)C)n1"]
["92383125","CCCN=c1nc(NC(C)(C)CCC)cc(C)[nH]1"]
["113567690","CCCN=c1nc(Cl)nc(N2CC(O)C(O)C2)[nH]1"]
["185058502","CCCN=NCC1CC1"]
["103031639","C=c1[pH]p(C(C)[Ge-](C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)c(=C)[pH]p1C(C)[Ge+](C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C"]
["MCULE-1427086518","CC(C)c1nn(CC2CC2)c(CN)c1Cl"]
["174565287","C=C/C=C(/CN([C@H](C)c1ccccc1)p1oc(/C=C\\C)c(C)c(=C)/c(=C\\C=C)o1)C(=C)C"]
["97761460","C=C1C[C@H]2C=C[C@H](O2)[C@H]1[C@@H](C)C[C@@H](C)O"]
["167593580","CC(C)[C@@]1(C)CN=C(CCl)O1"]
["162063935","CC(CCCl)[Si](C)(C)Cl"]
["94641467","CCC(CCl)NCc1cncs1"]
["33034367","ClCC1CC(Br)=NO1"]
["158422757","CC(C)c1cc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)nn1C(C)(C)C"]
["101519900","C=C[Si](C)(C)O[C@@H](C)[Si](C)(C)OC(C)[Si](OC)(OC)OC"]
["87915607","Cc1noc(C(=O)CN)c1C(C)C"]
["25381559","CC(CCl)C1CN(C)C(=O)O1"]
["178896390","C.C=[C-]C/C(=C/[C-]=CF)CCCI=C.[U+2]"]
["175287170","C=N/C(=C\\C=C\\F)CN"]
["47172004","N=C(N)CCCCN1CCN(CC(F)(F)F)CC1"]
["79693030","C=[C-]CC([CH2+])=CC"]
["59472602","NC/C(=C/F)Cc1cc(F)ccc1F"]
["32662825","C=CC/C(=C\\I)CCCCO"]
["51648188","NN=C(O)CCCN1CCCS1(=O)=O"]
["195365445","C=ICCCC=N"]
["176085324","C=C/C=C(C)\\C(CCCOS(N)(=O)=O)=C(/C)Cl"]
["172350070","C=[C-]CCCCC(C)CCCC([CH2-])CC.CC.[K+]"]
["45148404","C=CC=C(CCCCCC)CCCCCC"]
["78333196","C=ICO"]
["174117006","[B]C1(F)C(F)(F)C([B+])(P)C(C)(F)C2([B+])O[C-]([C-](C)C)OC12F"]
["174064787","[B]C(CC)(NC([B+])([B+])[B+])C([B])([B+])[C-]1[CH-][CH-][C-]2OC([B+])([B+])O[C-]2[CH-]1"]
["173796114","[B]C1(F)C(F)C([B])(F)C(C)(F)C(C)(F)C1([B])F"]
["169861056","CN1S(=O)(=O)C(F)(P)C(F)(F)C(P)(I)S1(=O)=O"]
["195326120","O=C1[S@@](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S1(=O)=O"]
["61247789","CC12C(F)(F)C3(C)C(F)(F)C(C)(C1(F)F)C(F)(F)C(F)(C2(F)F)C3(F)F"]
["194662332","O=C1[S@](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S1(=O)=O"]
["171551135","CC1(N2CCCC(F)(P)C2)COC1"]
["178486523","CC1(F)C(F)(F)OC(F)(F)C1(C)F"]
["148752516","CC1(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)I"]
["160742989","CC1(F)CC(NC2CCCC23CCOCC3)C1"]
["55298475","[B+]=C1[C-](C)C(F)(F)C(F)(F)C1(F)F"]
["97403450","CC1=CC(C)=NC2=NC3=S(N12)N1C(C)=C(Cl)C(C)=NC1=[N+]3C"]
["14585171","CCc1nn(Cc2c(F)cccc2Cl)c(=O)c2cc3cc(C)ccc3n12"]
["81795539","CC1=NC(Cc2c(F)cccc2Cl)=NC(=O)C1=C(C)C"]
["65757646","CCOC(=O)c1cnn(C)c1N=C(O)CN1CCN(Cc2c(F)cccc2Cl)CC1"]
["171115783","CC1=NC2=NC(=O)/C(=C3/N=C(C)C=C(c4ccccc4)N3N)NN2C(c2ccccc2)=C1"]
["76110835","Cc1cc2c(O)n(I)c(I)nc-2n1"]
["182222155","CC1=CC(C)=NC(N=[N+]=[N-])N1CC=C(Cl)Cl"]
["54972887","CC1=CC(C)=NCN1S(C)(=O)=O"]
["5391457","CC1=NN=C2OC(=O)[C@@H](Cc3c(F)cccc3Cl)C(C)=C12"]
["180490766","CC1=NC2=NI=NN2C(C2CCCN(C(=O)c3cc(Cl)ccc3Cl)C2)=C1"]
["160521088","Cc1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnn2)c(C)s1"]
["81136357","CC1=CC(C)=NC(=O)C1C#N"]
["172687811","Brc1ccc(O[Si-]=[O+]c2ccc(Br)c(Br)c2Br)c(Br)c1Br"]
["68588761","COC(=O)CN(c1ncccc1Br)C(C)C"]
["87391156","COc1ccc(Br)c2c(Cl)nccc12"]
["145383886","O=C(Cl)c1cc(Br)c(Br)cc1OC(F)F"]
["115211676","O=Cc1cccc(Cl)c1Oc1cc([N+](=O)[O-])ccc1Br"]
["25169906","Cc1cc2c(N3CCOCC3)c(F)cc(Br)c2[nH]1"]
["24859446","COc1ccc(-n2ncnc2C(F)(F)F)cc1Br"]
["64988270","C=CCN=C(O)[C@@H](C)OC(=O)COc1ccc(Cl)cc1Br"]
["13245159","Nc1cc(CCC(=O)[O-])ccc1Br"]
["120083418","Clc1ccc(Cl)c(Oc2ccc(CBr)cc2Cl)c1"]
["69943905","COc1ccc(Br)c(F)c1C#N"]
["171247257","CCOC(=O)C(F)(F)[C@@H](N)c1cc(F)ccc1Br"]
["195337057","CC1C[C@H](C)[C@@H](O)C[C@H](CS)CC(I)C(C[NH3+])[I-]1"]
["195536364","C[C@H]1CNCC(=N)[C@@H]1O"]
["154980892","CNCC(=O)N1CC[C@@H](O)[C@H](C)C1"]
["29930209","COC1CC(/C=C/C2CC(O)CC(/C=C/C3CCC(O)C(CO)C3)C2)CCC1O"]
["99892344","CC(C)(O)C1CCC(O)C1O"]
["184972168","CC1CC(I)C2CC12"]
["180229243","CC(C)[I-]12C[C@@H]1[C@@H]1[C@H](C)C[C@@H]1C2I"]
["174085982","C[Si](C)(CCC1CCC(O)C(Oc2ccccc2)C1)c1ccc([Si](C)(C)CCC2CCC(O)C(Oc3ccccc3)C2)cc1"]
["103980755","C[C@@H]1CC[C@H](O)C[C@H]1C"]
["105738299","CCC[C@@H]1CC[C@@H](O)[C@H](CN2CCCN(C)CC2)C1"]
["MCULE-8202626413","N=C(N)c1ccccc1C1CC1CS"]
["53992089","CCCC1CCC(O)C(CCS(C)(=O)=O)C1"]
["180090568","CC(C)C[N+](C)(C[CH-][NH-])[C@H](C)C[I+]I"]
["171672446","CC(C)COC(=O)C[N+](C)(C)CCOC1CC2CCC1(C)C2(C)C.[Cl-]"]
["25062893","C[C@H](O)C[N+](C)(C)C"]
["180517129","COc1nccnc1CC(C)I"]
["98324474","CC[O+](CC(C)C)C(C)C"]
["158811234","CCN=C(O)N=C(O)[C@H](C)N1C[C@H](C)S(=O)[C@@H](C)C1"]
["180540070","CCC(C)C(C)[N+](C)(C)C(C)CC"]
["158537191","CCN=C(O)N=C(O)[C@H](C)N1C[C@@H](C)N(C)C[C@H]1C"]
["167247279","CCC(C)/C=C(/C)I"]
["173191547","CC(C)C.CC(C)C.CC(C)CCC(C)C"]
["196860997","CCC(C)OC(O)C[N+](C)(C)C"]
["175114308","CC[CH-]O[Si](C(C)C)(C(C)C)C(C)C.[Li+]"]
["172863541","OS1=CC=c2cc3c(cc21)=S=CC3=[OH+]"]
["MCULE-8341536078","COc1cc(C=CC(O)=Nc2oc(C)c(C(C)=O)c2C(N)=O)cc(OC)c1OC"]
["CSSS02517749568","Cc1sc(C(=O)O)cc1C1=COCCO1"]
["179514637","OC1=CC=CC=S1O"]
["195577341","CC1=CC(N)=CC=S1O"]
["173126894","COc1cc(C2=N[C@](C=O)(C=NO)CO2)cc(I)c1OC"]
["112190601","O=S1CCC(N=C(O)c2cc(Cl)ccc2I)CC1"]
["168161588","CC(=NO)c1ccc2c(c1)C(=NO)c1cc(C(C)=NO)ccc1-2"]
["111472360","CCN(C)C(=O)C(C)N=C(O)Cc1cccc(O)c1"]
["115653061","COc1cc(/C=C/C(O)=Nc2oc(C)c(C(C)=O)c2C(N)=O)cc(OC)c1OC"]
["173155267","[CH-]=NC1=C=CC=c2ncc(=CO)cc21.[W+2]"]
["127608121","Cc1cccc(C(N=C(O)N=c2cccn[nH]2)C(C)(C)C)c1"]
["166579301","C#CCCSN/C=C\\C=C/C=S"]
["91719530","C#CCC[Si](OC)(OC)OC"]
["96054259","C#CCCCNC1CCCOC1"]
["94964091","C#CCCCC(CCCOCC)NCC"]
["156963131","C#CCCC(=O)[C@@H]1CCNC1"]
["32700951","C#CCCS/C=C/C(=O)OCCC#C[Si](C)(C)C"]
["96227993","C#CCCC(CC(C)OC)NC"]
["49245943","C#CCCNCc1ccc(COC)cc1"]
["183821636","C#CCSCCON=[N+]=[N-]"]
["172140801","C#CCSC1NCCCN1"]
["67104303","C#CCCC(C)CC(C)NC"]
["195746401","COCNC=CC=S"]
["173060284","CNCC[N+](=[Te])CCN[Te-]"]
["47990412","CNCCCC(C)OC"]
["185332753","CCC(COCCNC)N(C)CC"]
["108491460","CNC[C@H]1C[C@@H]1CN1CCN(C)CC1"]
["195769784","CCN(C)N(C)CCNC"]
["91389499","CCCCCSCCCNC"]
["94642846","CSCC(C)N(C)CCNCC(F)(F)F"]
["173281177","C=O.CNCCCOC(C)C"]
["110850403","CNCCCCCCN=O"]
["112408299","CNCCCc1cnn(C(C)(C)C)c1C(F)(F)F"]
["179446164","CNCC/C(C)=C/C=C(/C)CO"]
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["61485043","Nc1cccc2c(-c3ccnn3O)cccc12"]
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["174560174","CC1=C=C(N)[CH-]O1.[V]"]
["194122240","CC1=C=C(N)[C-](N)C(N)=C1C.[Np]"]
["162653720","Nc1cc(CO)c2sc(CCl)cc2c1"]
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["195815303","[CH2-]C(=O)C1C(N)=C=C(N)C(N)=C1N.[Np]"]
["178767765","NC1=C=C[C-](N)O1.[U]"]
["162772575","N#CCc1cc2cc(N)cc(S)c2s1"]
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["114717129","COC(=O)CC[C@@H](N=C(O)C1CN=C(O)CN1)C(=O)O"]
["68855697","O=C(O)C(Cc1cnc[nH]1)N=C(O)c1cnc(O)[nH]1"]
["63306197","CC(C)CC(N=C(O)C(CC(C)C)N=C(O)C(CC(=O)O)N=C(O)C(C)N)C(=O)O"]
["112695205","CC1(NC(O)=NC(CCC(=N)O)C(=O)O)CCCOC1"]
["178539336","O=C(CC(CSSCC(N=C(O)CN1C=CC(=CC=C2C=CC(=[N+](CCO)CCO)C=C2)C=C1)C(=O)O)C(=O)O)CN1C=CC(=CC=C2C=CC(=[N+](CCO)CCO)C=C2)C=C1"]
["170663402","CC(C)C[C@@H](N)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(=O)O.CC(C)C[C@H](N)C(O)=N[C@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(=O)O"]
["172645645","O=C(O)[C@H](CO)N=C(O)C[N+](=O)[O-]"]
["44932929","CC(N=C(O)C(CCC(=O)O)N=C(O)C(N)CCC(=N)O)C(O)=NC(CC(=O)O)C(=O)O"]
["146924244","Cc1ccc(C(=O)NCC(O)=NCC(CC(C)C)C(=O)O)cc1C"]
["94513099","CCC(CC(O)=N[C@H](C)C(=O)O)C(C)C"]
["89800210","O=C(O)CC(N=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O"]
["91392760","ON1N=C([NH+]=c2nn[n-][nH]2)N(O)N=C1[N+]=C1N=NN=N1"]
["97280278","NN=c1nn[n-][nH]1"]
["8059402","COc1cc(Br)c(/C=N/N=c2nn[n-][nH]2)cc1OC"]
["83611392","COc1ccccc1C=NN=c1nn[n-][nH]1"]
["16246763","CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=c1nn[n-][nH]1)C2"]
["173749142","[B+]=C([O-])[NH+]=c1nn[n-][nH]1"]
["2756759","COc1ccc(/C=N/N=c2nn[n-][nH]2)c(OC)c1OC"]
["86489524","CCc1nc(Cl)c(C)c(=NCC2CCCC2CO)[nH]1"]
["3033414","COc1ccc(Br)cc1/C=N/N=c1nn[n-][nH]1"]
["45215256","COc1c(Br)cc(Br)cc1/C=N\\N=c1nn[n-][nH]1"]
["170461139","C1C[NH+]2CCN1CC2.N=c1nn[n-][nH]1.N=c1nn[nH][nH]1"]
["91424987","COP(=O)(OC)C1N=C(O)NC1P(=O)(OC)OC"]
["184255425","CC12C=[NH+]C3=CC=CC=C(C=N1)C32C"]
["CSSS15029379990","COC(C)(C)c1nc(=NC2(C)COC2)s[nH]1"]
["195803672","CC1=CC(C)C(O)[C@]1(C)O"]
["179041800","CC12C=NN3C=CN=C(C=N1)C32C"]
["189863607","CC(C)C1=CC2(C)C=NC3=CN=CC=C1C32C"]
["170782264","CC1(C)CC2(OC=CO2)c2cc(Br)cnc2O1"]
["180158324","CC1=CC=NC(C)(C)C=C1/C=C\\N"]
["195474779","CC1(C)C=C(C(=O)O)C=N1"]
["183612006","COC1=CC=CC(C(=O)O)C1(C)C(=O)O"]
["187479970","CC12CC13C=CN=CC3=CC=CC2N"]
["195512948","CC12CC1=CC1=C(C=N2)NCCN1"]
["161857937","O=[N+]([O-])C1([N+](=O)[O-])C2=CC=CC=C1C=CC=C2"]
["180515064","OCC[C@H]1CCC2O[C@@H]3C4C2(C[C@@]42O[C@@H]32)O1"]
["187819278","OCC1CNCC(Cl)C1(F)F"]
["134309320","CC1CCC2(CC1)OCC(CN=C(O)N1CCCCC1CCO)O2"]
["MCULE-3237574387","CCCc1nn(Cc2cc(C)ccc2C)c2c1C(c1ccc(C)cc1)C(C(=O)N1CCCCC1CCO)=C(N)O2"]
["173044394","CCC(=O)CCC1CCCC(CCO)/C1=C/O"]
["192494702","CCCC[C@H]1CC2(CI)OC(CCI)CC[C@@H]2O1.CCCC[C@H]1CC2(CO)OC(CCO)CC[C@@H]2O1"]
["148508082","C=CCNC(=N)NCC1(C)CC2CCC1O2"]
["136484150","CC(C)=CC(O)=NCc1ccc(C(=O)NCC2CCC(C)(C)O2)cc1"]
["162805205","CC1(C)[C@H](CO)[C@@H]2CC[C@H]1O2"]
["158080962","CCC[C@@H]1CC[C@@](C)(CC#N)O1"]
["170883076","CCOC(=O)C[C@H]1CC[C@@H]2O[C@@H]([C@@H](O)/C=C/[Si](C)(C)C)[C@H]3OC4(CCCCC4)O[C@H]3[C@H]2O1"]
["97468260","C[C@@H](CCO)CC[C@@H]1OC1(C)C"]
["173928957","[B]C1([B])C2[B]C2([B])C([B])([B])C([B])([B])C1([B])[B]"]
["173753042","[B]C1([B])C([B])([B])C([B])([B])C([B])(C(=O)O)C([B])([B])C1([B])[B]"]
["174117598","[B]C1([B])CC(O)(O)C([B])([B])C([B])([B])C1([B])[B]"]
["33832285","[B]C1[B]C1([B])[NH-].[Na+]"]
["170766823","[B]C1([B])CN2CC(F)CC2(COC)C1"]
["149842454","CC1(C)[B]C1N"]
["173678891","[B]C1([B])CC([B])([B])C([B])([B])C([B])([B])C1([B])[B]"]
["55080984","[B]C1[B]C1([B])N"]
["173791920","[B]C1([B])C(C)C([B])([B])C([B])([B])C([B])([B])C1([B])[B]"]
["174028140","[B]C1C([B])([B])C([B])([B])C([B])([B])C1([B])[B]"]
["173940728","[B]C1(N(C)CC)CCC1"]
["174099230","[B]C1C([B])([B])C([B])([B])C(C(F)(F)F)(C(F)(F)F)C([B])([B])C1([B])[B]"]
["188193927","CCSSBSPSSC"]
["175692456","[2H]C([2H])CSSCC([2H])[2H]"]
["101676118","CCS/C(=C/S(=O)CC(C)(C)O)SC"]
["160891042","CCSSSC=CCSSSC"]
["79910025","CCS[CH]CSC"]
["162720561","CCCNCCSSC"]
["61095511","CCSP"]
["33691188","C/C=C(/CO[Si](C(C)C)(C(C)C)C(C)C)SC"]
["172324657","CCS[Si](C)C"]
["26787745","CCSSCc1cccn1C"]
["169600043","CCSSC(CC)C(F)(F)F"]
["193166125","CCSSCC(NC)C(=O)CC"]
["169248939","C[C@H](CCC(O)=NC(CCC1(C)N=N1)C(O)=NCN=[N+]=[N-])[C@H]1CC[C@H]2[C@H]3C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O"]
["84105200","CC(CCC(=O)O)C1CC(=O)C2=C3CCC4CCCCC4(C)C3CCC21C"]
["30501297","CCCCCO[C@H]1C[C@H]2[C@@H]([C@H](O)C[C@@H]3C[C@H](O)CC[C@@]32C)[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@@]12C"]
["130969065","Cc1ccccc1Cc1nnn(CC(O)=NCC2(c3ccccc3)CC2)n1"]
["44770844","C=CC[C@H](N=C(O)CC(CC[C@@]1(C)O[C@@H](c2ccccc2)O[C@H]1C=C)O[Si](C)(C)C(C)(C)C)/C(C)=C/COC(=O)c1ccccc1"]
["50311424","CC12CCC(O)CC1CCC1C2[C@H](O)CC2(C)C(C3=CC(=O)OC3)CCC12O"]
["13644790","C[C@H](CCC(O)=NN)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C"]
["189791069","CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1"]
["77269953","COCCN=C(O)CCC1C(=O)N=C(SC(F)F)N=C1C"]
["76105508","COC(=O)CC[C@@H](C)C1CCC2C3CC(OC)C45CC4CC[C@]5(C)C3CC[C@@]21C"]
["54819781","CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(NOCC(O)=N[C@@H](CCC(=O)O)C(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C"]
["153273711","CCC[C@@H](C/C=N/OCCN)[C@@]1(C)CC[C@@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O"]
["70198424","C1#CC2=c3ccc4c5c3C3C6=C7C8=C9C6C5C5C=4C#CC4=C6C#CC%10=C%11C#CC%12=C1C(C23)C7C%12C%11C8C%10C6C9C45"]
["194150606","Nc1ccc(C2C(F)(F)C(N)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c2ccc(N)cc2)cc1"]
["199725136","N#Cc1cc(C(F)(F)F)ccc1N1CC(C(=N)O)CC1=O"]
["176840058","Nc1c#cc(C2CC2)cc1"]
["179073439","O=C(O)[C@H]1C[C@@H]1c1c#cc(F)cc1"]
["47404793","Cc1cc(Br)ccc1N=C(O)c1sc2nc3c(cc2c1N)CC(c1ccccc1)CC3"]
["119337536","N#Cc1cc(Br)cnc1-c1ccc2c(c1)C1CCC2C1"]
["113162982","CSC1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1"]
["184207731","Oc1c#cc([C@H]2CC2O)cc1"]
["5788512","N#CC1=C(N)Nc2sc(C#N)c(N)c2[C@H]1c1ccccc1C(F)(F)F"]
["49317043","Nc1cc2c(c3ccccc13)C(CCl)CN2"]
["157001696","C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CCO1"]
["79500012","C[Ge](C)(C)C1=C2C=C(CCCC3=Cc4c([Ge](C)(C)C)ccc(=[Ge-](C)(C)C)c4=C3)C=C2[C+]([Ge](C)(C)C)C=C1"]
["79498989","CC(C)C1=C2C=CC(CCCc3cc[c-]4c(C(C)C)ccc(C(C)C)c34)=C2[C+](C(C)C)C=C1"]
["174575299","C=C/C=C1/N=C(C(=C)NCC2=CCC3=C(C=C2)CCN(/C(C)=C(\\N)C(=C)CC)C3)C=C(C(=C)C)N1C"]
["176728050","C[NH+](C)c1ccc([NH2+]NC2C=CC(OC/C=C/I)=CC2=N)cc1"]
["69753267","CC([O-])=C1C=CC(CCCC2=CC(=C(C)[O-])C=C2)=C1.[Fe]"]
["198448625","[2H]C([2H])(c1cc(C2=CC(=[Ge-])C=C[CH+]2)ncc1[Ge](C)(C)C)C(C)(C)C"]
["24839646","Cc1ccc[c-]2cc(CCC3=CC4=CC=C[C+](C)C4=C3)cc12"]
["25487283","C1=C[C+](C2CCC2)C2=CC(CCCc3cc4c(C5CCC5)ccc(C5CCC5)[c-]4c3)=CC2=C1C1CCC1"]
["26100121","C1=C[C+](C2CC2)C2=CC(CCCc3cc4c(C5CC5)ccc(C5CC5)[c-]4c3)=CC2=C1C1CC1"]
["46342122","C[N-]CCCC1=CC(=[O+]C)C(=[O+]C)C=C1"]
["168487885","C=C1C=C[C+](CCCCCC2=CCC(=C)C=C2)C=C1"]
["101308350","C=C1C=C(CCC)[CH]C(OCCCC)=C1"]
["195770075","[2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1-c1nc2c([2H])c3c(c([2H])c2s1)N(c1c([2H])c(C(C)(C)C)c([2H])c(C(C)(C)C)c1[2H])c1c([2H])c(C(C)(C)C)c([2H])c2c1B3c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1N2c1c([2H])c([2H])c(C(C)(C)C)c([2H])c1[2H]"]
["MCULE-2209187060","Cc1ccc2nc(-c3ccc(NC(=O)C(C)(C)NC(=O)c4cc(C)n(-c5ccccc5)n4)cc3)sc2c1"]
["195670438","[2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c3c(c2[2H])Oc2c([2H])c4c5c6c2B3c2c([2H])c([2H])c([2H])c([2H])c2N6c2c([2H])c([2H])c([2H])c([2H])c2B5c2c([2H])c([2H])c([2H])c([2H])c2N4c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]"]
["199167245","CC(C)(C)c1ccc(N2c3cc4c(cc3B3c5cc6c(cc5C(C)(C)c5cc(C(C)(C)C)cc2c53)N(c2ccc(C(C)(C)C)cc2)C2(C)CCCCC62C)C2(C)CCCCC2(C)N4c2ccc(C(C)(C)C)cc2)cc1"]
["198464404","CC(C)(C)c1ccc(N2c3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc4c3B(c3cc5c(cc3N4c3ccc4c(c3)C(C)(C)CCC4(C)C)C(C)(C)CCC5(C)C)c3c2sc2ccc(C(C)(C)C)cc32)cc1"]
["170546661","CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc7c8c(c6)N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6B8c6cc(C(C)(C)C)ccc6O7)c5c43)n2)cc1"]
["MCULE-3326180146","Cc1ccc2nc(-c3ccc(NC4=C(c5ccc(Cl)cc5)C(=O)N(C5CC5)C4=O)cc3)sc2c1"]
["197701334","CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4cc(C(C)(C)C)cc5c4N(c4cc(N6c7ccccc7C7(C)CCc8ccccc8C67C)cc2c43)C2(C)c3ccccc3CCC52C)c(-c2ccccc2)c1"]
["197702245","CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)cc5c4N(c4cc(N6c7ccc(C(C)(C)C)cc7C7(C)CCc8ccccc8C67C)cc2c43)C2(C)c3ccccc3CCC52C)cc1"]
["172102972","CC(C)(C)c1ccc2c(c1)B1c3ccccc3-c3cc(C(C)(C)C)cc4c3N1c1c-2cc2c3c1B4c1cc(C(C)(C)C)cc4c1N3B(c1cc(C(C)(C)C)ccc1-2)c1ccc2ccccc2c1-4"]
["196570404","[2H]c1cc2sc3c(c2cc1[2H])B1c2sc4cc([2H])c(C(C)(C)C)cc4c2N(c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2[2H])c2c([2H])c(C)c([2H])c(c21)N3c1c([2H])c([2H])c(C(C)(C)C)c([2H])c1[2H]"]
["198464125","Cc1ccccc1-c1cc2c3c(c1)N(c1ccc4c(c1)C(C)(C)CCC4(C)C)c1c(sc4cc5c(cc14)C(C)(C)CCC5(C)C)B3c1cc3c(cc1N2c1ccc(C(C)(C)C)cc1)C(C)(C)CCC3(C)C"]
["168561312","CC[Si](CC)=c1scc2c1c1[cH-]sc(=[Si](CC)CC)[c-]-1c1csc([Si+](CC)CC)c1c1csc([Si+](CC)CC)c21"]
["163365712","CCc1cc(N)c2ccsc2c1CC#N"]
["166366111","CCc1cccc2c1N=C/C2=C\\NNC(=O)c1cccs1"]
["66883719","CCCC(=O)c1ccsc1C"]
["67581760","CCC(NCC1CCC1)c1cccs1"]
["147614586","CCOC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2c(N=C(O)C(C)C)scc12"]
["23978247","CCC(C)n1ncc2c(C)cc(O)nc21"]
["162680282","CCc1csc2c(C=O)ccc(S)c12"]
["162870037","CCc1csc2cc(C=O)c(C)cc12"]
["161873275","CCCCC(CC)Cc1ccsc1C1(Br)SC=CC1CC(CC)CCCC"]
["123970415","Cc1nc(CN2CCN(Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cs1"]
["56606203","Cc1csc(N2CCCN(Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)n1"]
["177166482","c1ncc([Se](CCCCCC2CNCCCN2)C2CNCCCN2)cc1C1CNCCCN1"]
["162093423","COc1ccc(C2CCNC2)cc1CC#N"]
["147348702","CN1CCNCC1c1noc(-c2ccc(Br)cc2)n1"]
["161245002","O=C(C1CCCNC1)N1CC2(C1)CN(c1ncnc3sc(CC(F)(F)F)cc13)C2"]
["24839433","O=C(c1cccnc1)N(CCCCCCCCCCCO)C1CNCCN1"]
["147146592","Cl.O=C1c2ccccc2C(=O)N1CCN1CCNCC1c1cccnc1"]
["103369052","CCN(CC[C@@H]1CCCCN1)c1ccccc1"]
["120528168","Fc1ccccc1-n1cc(CC2CCCN2)cn1"]
["98024508","Fc1cnc(OC[C@H]2CCCN2)nc1"]
["192721697","Cc1cnc(Cc2ccc([C@@H]3CNCCO3)cc2)cn1"]
["178504491","CCc1cnc(CCC2CCC(CCC3CCCN3)N2C)[nH]1"]
["162986843","CN(C)c1ccc([C@@H]2CNCCN2)s1"]
["91558481","C[si]1o[si-](CCCCCCCCCC[si]2o[si](C)[o+][si-](C)[o+][si](C)[o+]2)o[si-](C)o[si-](C)[o+]1"]
["81682957","C[si]1o[si-](CC[Si](C)(C)O[Si](O[Si](C)(C)CC[si]2o[si](C)[o+][si-](C)[o+][si](C)[o+]2)(O[Si](C)(C)CC[si]2o[si](C)[o+][si-](C)[o+][si](C)[o+]2)O[Si](C)(C)CC[si-]2o[si](C)[o+][si-](C)o[si-](C)o2)o[si-](C)o[si-](C)[o+]1"]
["168503764","CCCCCCCCCCCCCCCCCC[Si]1O[Si](CCCCCCCCCCCCCCCCCC)=[O+][Si-](CCCCCCCCCCCCCCCCCC)O1"]
["171915077","CC(C)C[si]1o[si-](CC(C)C)o[si-](CC(C)C)o[si-](CC(C)C)[o+][si](CC(C)C)[o+][si](CC(C)C)[o+]1"]
["70113117","C[Si]1=[O+][Si-](C)[O+]=[Si](CC[Si-]=[O+][Si-][O+]=[Si-]CC[Si]2(C)O[Si-](C)O[Si](CC[Si-]=[O+][Si-]=[O+][Si](C)(C)CC[si]3o[si](C)[o+][si-](C)[o+][si](C)[o+]3)=[O+][Si-](C)O2)O[Si-](C)O1"]
["70113120","CC1C[Si-](C)[O+]=[Si](C)O[Si](CC[Si-]=[O+][Si]([O+]=[Si-]CC[Si]2O[Si](C)=[O+][Si-](C)[O+]=[Si](C)O2)([O+]=[Si-]CC[Si]2=[O+][Si](C)=[O+][Si-](C)O[Si-](C)O2)[O+]=[Si-]CC[si-]2o[si](C)[o+][si-](C)o[si-](C)o2)=[O+]1"]
["190799176","C[si]1o[si-](CCCc2cc(C(C)(C)c3ccc(OCCC[si]4o[si](C)[o+][si-](C)[o+][si](C)[o+]4)cc3)ccc2O[Si](C)(C)C)o[si-](C)o[si-](C)[o+]1"]
["172565080","CCCCCCCC[Si]1O[Si-](CCCCCCCC)[O+]=[Si](CCCCCCCC)O[Si](C)(CCCCCCCC)O1"]
["91237249","CC[si]1o[si-](CC)o[si-](CC)o[si-](CC)o[si-](CC)o[si-](CC)[o+][si](CC)[o+][si](CC)[o+][si](CC)[o+][si](CC)[o+]1"]
["70318694","C[Si]1=[O+][Si-](C)O[Si-](C)O[Si](C)(CC[Si-]([O+]=[Si-]CC[si]2o[si](C)[o+][si-](C)[o+][si](C)[o+]2)[O+]=[Si-][O+]=[Si-]CC[Si]2=[O+][Si](C)=[O+][Si-](C)O[Si-](C)O2)O1"]
["70318695","CC1C[Si-](C)[O+]=[Si](C)O[Si](CC[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si]([O+]=[Si-][O+]=[Si-]O[Si](C)(C)CC[Si]2O[Si](C)=[O+][Si-](C)[O+]=[Si](C)O2)([O+]=[Si-][O+]=[Si-][O+]=[Si-]CC[Si]2=[O+][Si](C)=[O+][Si-](C)O[Si-](C)O2)[O+]=[Si-][O+]=[Si-][O+]=[Si-]CC[si-]2o[si](C)[o+][si-](C)o[si-](C)o2)=[O+]1"]
["171948227","CCCCCCCC[Si]1O[Si](CCCCCCCC)=[O+][Si-](CCCCCCCC)O1"]
["172677566","[O-]C([O-])=c1ccc(=c2nc3cc4c(cc3[nH]2)=C2N=C4N=C3N=C(N=C4N=C(N=c5[nH]c(c6c(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)ccc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)c56)=N2)c2cc5c(cc24)=NC(=c2ccc(=C(O)O)cc2)N=5)c2c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c23)cc1.[Zn+2]"]
["172215111","Cc1c(C(O)=N[C@H](c2nc3ccc([C@@H](C)N=C(O)CCC(F)(F)F)cc3[nH]2)C2CCC(F)(F)CC2)cnn1CC(F)F"]
["173490096","OC[C@H]1COCCN1c1nc(O)c(C(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)=c2ccc3c(c2)C=NN=3)s1"]
["MCULE-2803399011","COc1cc(F)c(-c2cc(CC(O)=Nc3cccc(N4CCN(C)CC4)c3)cc(C(F)(F)F)c2)c(F)c1"]
["MCULE-9627945582","Cc1nc(F)ccc1-c1cc(CC(O)=Nc2c(C#N)cnn2C)cc(C(F)(F)F)c1"]
["173087061","CC.CC.CCN(c1ncccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NSN4CCN(C)CC4)ccc3[nH]2)CC1"]
["MCULE-1765311573","CN1CCN(c2cccc(N=C(O)Cc3c(F)cc(-c4cccc5cccnc45)cc3F)c2)CC1"]
["192379706","CS(=O)(=O)c1ccc2[nH]c(C(=O)O)c(-c3ccccc3F)c2c1.Cc1ccc2c(c1)c(-c1ccccc1)c(C(=O)O)n2C.O=C(O)c1[nH]c2ccc(C(F)(F)F)cc2c1-c1ccccc1F"]
["171174940","FC(F)C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1"]
["MCULE-1001050356","COc1cc(F)c(F)cc1-c1cc(CC(=O)N2CCN(CC3CC3)CC2)cc(C(F)(F)F)c1"]
["69607506","CC1=CC(COC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N=C1O"]
["155375365","Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1"]
["91218175","C=c1cc2cc3c4c5c(cc6c(c1C=C6)c25)=CCC=4C=C3"]
["172218773","OCOCOCOCOC1=c2ccc3c4c5c6c(ccc7ccc(c(c24)c76)C1OCOCOCOCO)CCC=5CC=3"]
["98403649","Cc1cc2c3c(c(C)ccc3c1)C=C2.Cc1ccc(C)[nH]1.Cc1ccc(C)s1"]
["168574930","[CH+]=C1C=CCC2=C1C(=C)C=C2"]
["183350091","N=C(O)C1(O)C=CC(O)=CC1"]
["98596671","CC(C)C1=Cc2cc(C(C)C)ccc2C=CC1"]
["100970109","CN(C)c1c(Br)cc2c3c(cc(Br)c(N(C)C)c13)C=C2"]
["168558858","CC1=CC(=C2C=CC(C(C)(C)C)=CC2)C=C1"]
["176179131","C1=Cc2cc3c(nc2=N1)OCC=3"]
["181626216","CCOC1=CCC(OCC)[C-]=C1.[Br-].[Mg+2]"]
["170079449","C=C1C=Cc2c(ccc(C(C)C)c2P(C)(C)=O)N1C1CC1"]
["179606880","C=C1CC=CC(c2csc(C(=O)NS(=O)(=O)CC)n2)=CC1"]
["193693017","Fc1nc(SCSc2nc(F)c(Cl)c(F)n2)nc(F)c1Cl.Fc1nc2nc(F)c1SCS2.Fc1nc2nc(c1Cl)SCS2"]
["MCULE-7770281161","Oc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1Cl"]
["60282456","Fc1cc(C(Cl)Cl)nc(F)c1Cl"]
["51681652","Cc1cc(O)nc(SCc2csc(C)n2)n1"]
["27020902","O=Cc1c(Cl)nc2n(c1=O)CCS2"]
["178840801","CSC(C)c1csc(F)c1Cl"]
["24327970","Fc1cc(CSc2nsc(Cl)n2)ccc1Cl"]
["163918200","CCc1c(Cl)c(F)nc(SC(C(=N)O)c2ccccc2)c1Cl"]
["111196409","Cc1csc(CNCc2cc(Br)c(Cl)s2)n1"]
["131838737","CCn1c(SCCC(O)=Nc2ccc(Cl)cc2F)nnc1C1CC1"]
["170188495","CCSc1nc(Cl)c2ncn(CC)c2n1"]
["147159879","Cc1nc(CN2CCNCC2c2ccccc2Cl)cs1"]
["190435697","CCN1C[N+](C)(C[N+]2(CC)CN(C)Cc3cc(-c4cc(C)c(C)c(C)c4)cc(C)c32)Cc2cc(-c3cc(C)c(C)c(C)c3)cc(C)c21"]
["123243376","COc1c(C)cc(CNC(C)(C)CCN2CCN(C)CC2)cc1C"]
["170450440","CN1Cc2cc(F)cc(F)c2C1"]
["89257686","Cc1ccc2c(c1C)N(CCN)CC2C"]
["107692330","Cc1cc(C)c2c(c1)[C@@H](CN)C1(CC1)CN2C"]
["166573730","CCC1=C/C(=C2/ONC(C(C)=O)=C2c2ccc3c(c2)CCN(C)C3)C(=O)C=C1O"]
["MCULE-4323436692","COc1cc(-c2cc(C)c(OC)c(C)c2)cnc1N=C(O)c1cn(CCF)c2c(F)c(N3CCN(C)CC3)c(F)cc2c1=O"]
["26616128","CCCCCCCCCCN1CCc2cc(C(=O)O)c(C)c(N=C(O)C(C)(C)C)c21"]
["85503072","Cc1cc(C(=O)NC2CCN(C)CC2)sc1C#CCN"]
["194333230","CCCCCCc1ccc(-c2cc(C)c(-n3nc(C)nc3-c3cccc(-c4c(C)cc(CCCCCC)cc4C)c3)c(C)c2)cc1"]
["170695146","CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(O)=NCc2c(C)cc(C)nc2O)c1C)C1CCC(N(C)CCOC)CC1"]
["113812462","Cc1cc(S(=O)(=O)N(C)CC2CCN(C)C2)ccc1CN"]
["78355589","C=c1/c(=C\\C=C\\B(OCCN)c2ccsc2)sc2ccc(B(OCCN)c3ccsc3)cc12"]
["56095291","COc1ccc(CBr)cc1OCCc1ccsc1"]
["111032616","Cc1ccc(C#N)cc1OCCc1ccsc1"]
["53211413","Nc1ccc2sc(C(O)=NCc3ccsc3)cc2c1"]
["46303695","Fc1ccc(Br)cc1C(Cl)Cc1ccsc1"]
["189290769","CCc1sc2ccccc2c1CN1CCN2C(=O)CN(Cc3ccc4ccccc4c3)C(=O)C2C1"]
["135680462","CC(O)(CN=C(O)Cc1ccsc1)c1ccc(F)cc1F"]
["26644827","O=C(N(CCOc1cc(Cl)cc2nc(S)[nH]c12)Cc1ccsc1)C(F)(F)F"]
["46516061","NCc1cc(S(=O)(=O)NCc2ccsc2)c(Br)s1"]
["95905239","NC(CCc1ccsc1)c1cccc(F)c1Cl"]
["53270542","CBr.CCOc1c(C(O)=NCCN2CCCC2)sc2ccc(N)cc12"]
["83251162","C=C=[C]Cc1ccsc1"]
["179119308","O=C1N=[NH+]C(=c2ccc(=C3N=NNN3c3ccc(-c4[n-]c(=O)c(O)c[nH+]4)cc3-c3nn[nH]n3)cc2)C=C1O"]
["31220570","CCCC(c1ccccc1Cl)n1ccn(CCc2ccc(-c3cnccc3-c3nn[nH]n3)cc2)c1=O"]
["33494082","CCCCc1nc(Cl)c(CC(=O)c2ccc(-c3cssc3=S)cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]
["190606357","O=c1nc(-c2cc(-c3ccc4c(ccn4C4CC4)c3)ncn2)[nH]o1.c1nc(-c2ccc3c(ccn3C3CC3)c2)cc(-c2nn[nH]n2)n1"]
["197963282","CC(C)N(C)CC1CCN(Cc2ccnc(-c3nn[nH]n3)c2)CC1"]
["58348390","COC(=O)/C=C(\\C(=O)OC)C1=CC(=C2Nc3ccc(C(=N)N)cc3N2)C(=O)C(c2cc(F)ccc2O)=C1"]
["25998176","Cc1cc(N(C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2ncc(C)c2n1"]
["13276919","O=C([N-]Cc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccc1F"]
["65916424","CCC=Cc1nn(C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]
["77916146","O=C(O)C1CC2CC(c3ccc(-c4nn[nH]n4)s3)CCC2CN1"]
["183368242","CC(C)CN(CC(C)C)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1N=[N+]=[N-]"]
["31392030","COCCCn1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(-c3ccc(-c4nn[nH]n4)cc3)c2)C2CC2)c2ccccc21"]
["CNP0553000.1","O=C[C@@H]1C[C@]2(CC[C@]3(CC[C@@H](Cc4cccc(O)c4)C3)C2)C[C@]12C[C@@H]1C[C@H]3C[C@@H]4[C@@H]5CC[C@]67Oc8cccc9c8C(=O)[C@@]8(C(O)=CC(Cc%10cccc(CO)c%10)=C[C@@H]8C9=O)[C@H]([C@H]8CC[C@@H]9CCCC[C@]9(O)C8)SSCNc8cc(c3cn8)[C@@]1(C2)[C@H]4[C@@](O)(C6O)[C@H](O)[C@@]5(CO)O7"]
["194888838","CCC1CCC2C(C1)C1C=CC(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3CC#CNC(=NC)Nc3cc(cc(OC4(CNC)CCC(CC(O)OCCCO)C4)c3O)C13CCCC3C2CCCO"]
["176168114","CC1(C)CC(c2ccc(C(O)=N[C@@H](C(=O)N3CCC(OC4CCN(CC(=O)N5CCN(C(=O)c6cc(Cc7nnc(O)c8ccccc78)ccc6F)CC5)CC4)CC3)C3CCCCC3)c(F)c2)CCN1C(=O)C1CC1"]
["195079155","COc1cc2cc(O)c1Oc1cc(O)cc(c1)CC1CC3C=CC4=CC5c6c7c(ccc8c7cn6C2CC(=O)CC(OC(C)=O)CCC26C7=CC=CC2CC=CC6c2c[nH]cc2C(C#CC7)C(c2cccc(O)c2)C2=CCNC(=C2)N8CCC(C)=O)C(O)C52CCC5(CCC3(CC1CO)C45)C2"]
["195000954","CNC1Cc2c(cccc2CO)C#CC2(CCC(Cc3ccccc3)C2)CC23CCC4C5(C=O)CC67C(CC8Cc9cccc(c9)CC9CCC(C9)C9CC=CC%10CC(C6O8)C5(O)C(CC%109)C(O)C4(O)C2(O)CC2CC1C1OC(=O)C=C1C23)CC1CC(c2ccccc2)CCC17"]
["171263159","Cc1[nH]c2ccc3c(c2c1C(=O)OCc1cccc(CN(C)C)c1)CC1CCCN2CCCCC12O3"]
["177509259","COC(=O)[C@@H]1CCCCN=C([O-])C[C@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(O)=N[C@@H](Cc2c[n+](C(c3ccccc3)(c3ccccc3)c3ccccc3)c[nH]2)C(O)=N[C@H](Cc2ccccc2)C(O)=N[C@@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C([O-])=N[C@@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)C(O)=N1"]
["194887154","C=C(C=CC=C(COCCO)C1CCC2(C1O)C1C(=C(C)C=O)C(C=CC1CCO)CC2(O)CCNC)C1CC=C(C)CNC(C)(CCOC)Cc2cccc(c2)C1"]
["148142324","COc1cc(CN=C(O)[C@@]23CCCC[C@H]2CNC3)ccc1OCc1cccnc1"]
["77343492","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N=CN2CCCC2)C(O)C(C)O1.Cl"]
["47761769","CC[C@]12C=CCN3CCC4(c5cc([C@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)CC6CCCCC67)c(OC)cc5N(C)C4[C@](O)(C(=O)OC)C1OC(C)=O)[C@@H]32.COS(=O)(=O)O"]
["179972189","CC(C)[C@H](O)C(=O)C[C@H]1Cc2ccc3c(c2)[C@@]2(c4ccccc4NC2O3)c2oc(nc2-c2nc(CO)co2)[C@H](C2CCCCC2)N=C1O"]
["190768010","[2H]c1c([2H])c(C)c(-c2c(C)c(C)c3c(c2[2H])c(C)c(C)c2c([2H])c(-c4c5c([2H])c([2H])c([2H])c(C)c5c(-c5c(C)c(C)c(C)c6oc7c(C)c8c(C)c(C)c(C)c([2H])c8c([2H])c7c56)c5c(C)c(C)c(C)c(C)c45)c(C)c(C)c23)c(C)c1[2H]"]
["198494762","[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c([2H])c(C)c([2H])c(C)c3C)c(C)c(-c3c(C)c4c(oc5c([2H])c(N(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c(C)c([2H])c7c(c6C)C(C(C)(C)C)(C(C)(C)C)c6c([2H])c([2H])c([2H])c(C)c6-7)c(C)c(C)c54)c4c([2H])c(C)c([2H])c([2H])c34)c2C)c([2H])c1[2H]"]
["117135423","COc1cc(-c2c3c[nH]n(C)c3nc3c2oc2c(C)c(=O)ccc23)cc(OC)c1OC"]
["198495330","[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2N(c2c(C)c(C)c(-c3c([2H])c([2H])c([2H])c([2H])c3C)c(C)c2C)c2c([2H])c(C)c([2H])c3c2oc2c4c(C)c([2H])c([2H])c(C)c4c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c(C)c23)c([2H])c1[2H]"]
["64709499","Cc1c2oc3c(C)ccc(C(C)C)c3oc-2c(C(C)C)c(=O)c1=O"]
["52211983","Cc1cc2cc(C)c(C)c(C)c2c(C)c1C"]
["197733469","Cc1ccc2c(oc3c(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc(S)cc32)c1-c1cccc[n+]1C"]
["198495080","[2H]c1c([2H])c([2H])c(-c2c([2H])c(C)c(N(c3c([2H])c(C)c([2H])c4c3oc3c(C)c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c4c3oc3c5c(C)c([2H])c(C)c(C)c5c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c34)c(C)c2[2H])c([2H])c1[2H]"]
["193430225","[2H]c1c([2H])c([2H])c2c(C)c3c(oc4c(C)c(C)c([2H])c(-c5c6c([2H])c(C)c([2H])c([2H])c6c(-c6c([2H])c([2H])c([2H])c7c([2H])c([2H])c8c([2H])c(C)c([2H])c(C)c8c67)c6c([2H])c([2H])c(C)c(C)c56)c43)c([2H])c2c1[2H]"]
["55927653","Cc1cc(C)c(-c2ccc3c4ccccc4c4oc5c(-c6c(C)cc(C)cc6C)ccc6c7ccccc7c7oc2c3c4-c7c56)c(C)c1"]
["198495145","[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c(C)c([2H])c4c(c3C)C(c3c([2H])c([2H])c([2H])c([2H])c3C)(c3c([2H])c(C)c(C)c(C)c3C)c3c([2H])c(C)c(C)c(C)c3-4)c3c([2H])c([2H])c4c(oc5c6c(C)c([2H])c([2H])c([2H])c6c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c54)c3C)c([2H])c2[2H])c([2H])c1[2H]"]
["170551180","Cc1cc2cc3oc(C)c(C)c(C)c-3c2c(C)c1C"]
["46415548","[2H]Oc1ccc(N([2H])C(=O)C([2H])=C2c3nn([2H])c[n+]3-c3ccc(Cl)cc3N2[2H])cc1"]
["115420033","N=C(O)c1ccccc1NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F"]
["62911238","CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N(C)C)cc1"]
["63467124","OC1=Nc2ccc(Cl)cc2/C1=C\\Nc1ccccc1"]
["MCULE-4121136668","CS(=O)(=O)N1CCC(C(=O)N2CCCN(CCc3ccc(Cl)cc3)CC2)CC1"]
["133985807","N#Cc1ccc(Cl)cc1NC(=O)COc1ccccn1"]
["85307385","O=Cc1ccc(OCc2cc(Cl)ccc2Cl)cn1"]
["153412814","COCC(=O)Nc1ccc(NC(=O)/C=C2\\C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1"]
["52434633","CCc1ccc(OCC(=O)OCC(=O)c2cc(Cl)ccc2Cl)cc1"]
["MCULE-9864385331","COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CCO2"]
["MCULE-8965086260","O=C(COc1cccnc1N=C(O)COc1ccc(Cl)cc1Cl)OCCOc1ccccc1"]
["150609844","CNc1cc(Cl)ccc1C(=N)c1cnc2c(n1)c(C(=O)O)cn2SF"]
["50580730","ClC1C(Cl)C(C2C(Cl)C(Cl)C(C3C(Cl)C(Cl)C(C=C(C4CC5CCC6CCCC7CCC(C4)C5C67)C4CCC5CCCC6CCCC4C65)C4CSCC43)C3CSCC32)C2CSCC2C1C=C(c1cc2c3c(c1)CCC1CCCC(CC2)C31)C1CCC2CCCC3CCCC1C32"]
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["MCULE-8308814748","COc1ccc(N(C)C(=O)CCCc2ccc(-c3c(F)cc(F)cc3F)cc2)cc1"]
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["141370042","C=CC1CCN(C(=O)CN=C(O)CCc2ccc(C)cc2)CC1"]
["12030485","Cc1ccc([C@@H](C)N(C)C(O)=NCCCCn2c(C)cccc2=O)s1"]
["CNP0540241.1","CN[C@H](C(=O)[O-])C(=O)O[C@H](O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@@H](O[N+]2=C(c3cc(C)cc(C)c3)C3=NC=CC3=C2)[C@@](O)(CO)[C@H]1O"]
["149625489","CCO[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)C(=O)C3C(C)[C@@H](OC(=O)[C@H](O)[C@@H](N=C(O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]
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["MCULE-4491291568","CCOc1cccc(N=C(O)Cc2c(C)c3cc4c(-c5ccccc5)coc4c(C)c3oc2=O)c1"]
["74719960","Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)N=C(O)OC3CCN(n4on4OCOC(=O)OC(C)(C)C)C3)cc2)cc1"]
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["171776120","CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)c3ccccc3)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@](C)(OC)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O"]
["143455132","CCOC(=O)C1=C(CN2CCCC2(C)C)N=C(O)NC1c1ccco1"]
["MCULE-9519169153","Cc1cc(C)cc(-c2ccnc(C(=O)N=c3cc[nH]c(C)c3)c2)c1"]
["100147531","Cc1cc(C)cc(-c2ccc3c(c2)sc2ccc(-c4ccc([Si](C)(C)C)c(-c5cccc(-c6cccc(-c7cc(-c8cccc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)c8)cc(C8CCCCC8)c7)c6)c5)c4)cc23)c1"]
["50111676","O=C(O)CCCC(=O)Oc1ccc(-c2coc3cc(OCc4ccccc4)cc(O)c3c2=O)cc1"]
["74323686","C#CC(CS[PH](=O)SC)CN(C)CN1CC(C#C)CN(C)P1(=S)SC"]
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["141067191","CCOC(=O)C1CCCN(C(=O)CN(C)CC(C)(C)O)C1"]
["121778013","Cc1ccc(C(=O)N2CCCC(COc3ccccc3Cl)C2)c(O)n1"]
["MCULE-4846405951","CN1CCN(CCN(C(=O)c2ccc3nc[nH]c3c2)c2ccccc2Cl)CC1"]
["142577865","CC(C)c1nn(CN(C)CCC2CC2)c(=S)n1C"]
["140823370","CCc1nn(C)c(Cl)c1C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1"]
["83625178","CC[NH+]1CCN(C(=O)C2CCCCN2C(=O)c2cc(C)oc2C)CC1"]
["52624700","Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3)cc12"]
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["158702720","CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)N2CCCC[C@@H]2C)s1"]
["25338655","[2H]C1=C([2H])C([2H])C([2H])OC1[2H]"]
["194528455","[2H]c1sc([2H])c2c1OCCO2"]
["56807656","[2H]C1CCOCO1"]
["24260064","[2H]C1([2H])C[C@H](O)C([2H])([2H])O1"]
["101470411","[2H]C1=CC[C@]2([Si](C)(C)C)C([2H])([Si](C)(C)C)[C@]2([Si](C)(C)C)C1"]
["182691161","[2H]C1=NC(N)CO1"]
["32886095","[2H]C1=CC[C@]2([Si](C)(C)C)[C@]([2H])([Si](C)(C)C)[C@]2([Si](C)(C)C)C1"]
["176469368","[2H]c1nc(Br)nc([2H])c1C1COC1"]
["172820184","[2H]C1=C([2H])C([2H])OC=C1"]
["172403185","[2H]C1CC(O)CC([2H])O1"]
["183701635","[2H]C1COCC1[2H]"]
["102964921","[2H]C1=CO[C@@H](c2ccccc2)[C@@H]1[2H]"]
["179071661","CC1(C)C2=C(I=CC=C2)c2c1cc[cH-]c2=II"]
["178951634","CC(C)(I)c1ccc2c(c1)C(F)(F)OC(F)(F)O2"]
["175347436","CC=S(C)C#Cc1cc2c3c(c1)C(C)(C)c1cccc4c(C)cc(c-3c14)C2(C)C"]
["174347656","Oc1ccc[cH-]c1=II"]
["86011919","Cc1ccc(C(=O)CN2C(=O)C(C)(C)c3ccccc32)s1"]
["44115464","CC12/C=C\\C=C/SC(=Cc3ccccc31)C2N"]
["51060360","Cc1cc2c(cc1-c1ccc3c(c1)C(C)(C)c1cc(-c4c(C)c(C)cc(C)c4C)ccc1-3)C(C)(C)c1ccccc1-2"]
["44264947","Cc1cc[n+]2c(c1)C(C)(C)c1ccccc1-2"]
["163663996","Brc1ccc[cH-]1.C[Si-](C)(C)=C1C=CC=C1.[Fe+2]"]
["183263589","CC(C)c1ccc[cH-]c1=IP(I=c1cc[cH-]cc1)I=c1cc[cH-]cc1"]
["172774369","CC1(C)c2ccccc2-c2c1ccc(O)c2N"]
["180961242","CCCOC1=C(C)C=CC=I1"]
["175679319","C=[C]n1c(=C=C=C=c2n([C-]=C)c3cc(Cl)c(Cl)cc3[n+]2=C=C)[n+](=C=C)c2cc(Cl)c(Cl)cc21"]
["190233210","CC[n+]1c(C)n(CCN2CC=CC2)c2cc(Cl)c(Cl)cc21.[O-][Cl+3]([O-])([O-])[O-]"]
["145366304","O=C(O)c1cn2c(n1)sc1cc(Cl)c(Cl)cc12"]
["148019679","CC(C)[C@@H](N)C(O)=Nc1ccc(C(=N)O)c(Cl)c1.Cl"]
["112768897","CSC1CCC(n2c(C(C)Cl)nc3cc(Cl)c(Cl)cc32)C1"]
["45747314","CCOC(=O)C(C(C)=O)c1nc2sc3cc(Cl)c(Cl)cc3n2c(=O)c1C#N"]
["96440589","C[C@H](O)c1ccc(N2CC=C(C(F)(F)F)CC2)c(Cl)c1"]
["85871294","COCC(C)Cn1c(=N)[nH]c2cc(Cl)c(Cl)cc21"]
["183012691","[N-]=[N+]=Nc1c(Cl)cc2c(N)ncnn12"]
["85871030","CC(C)n1c(CCl)nc2cc(Cl)c(Cl)cc21"]
["182870736","Clc1cc2ncn(NC3CC3)c2cc1Cl"]
["63388724","OCCOC(CO)n1cnc2cc(Cl)c(Cl)cc21"]
["172403487","[2H]C([2H])([2H])C1NC(C)C([2H])(C([2H])([2H])[2H])NC1([2H])C"]
["158053037","C[C@H]1CN([C@H]2CN(C)C[C@@H]2C)CCN1"]
["162016481","[2H]C([2H])([2H])[Si]1(C([2H])([2H])[2H])CC[C@]([2H])(C)C1"]
["178917652","C[C@@H]1N[C@H](C)C(O)I(O)[C@@H]1O"]
["46937902","CC1CS(=O)C(C)C(C)N1"]
["170991099","[2H]C1([2H])C([2H])(C)C([2H])(O)C([2H])(C)C([2H])([2H])C1([2H])C#N"]
["54748193","CC1NOC(C)C1B(O)O"]
["172403387","[2H]C1([2H])NCC(C)OC1([2H])C"]
["170905521","CC1CCCC2C(CCN)C(C)NC12"]
["184951571","[2H]C([2H])[O+]=[Si-]"]
["34684283","C[C@H]1N[C@H]1P(=O)(c1ccccc1)c1ccccc1"]
["50131216","CCC1CSC(C2CCC(C)CC2)N1"]
["195507859","[NH-][NH+](NI)NN(I)N[NH+]([NH-])NI"]
["195394497","CCC(CC)(CNI)C[I-]I"]
["195311987","CNN(C)O[NH+]([NH-])NC"]
["173293192","O=CN(I)CCNI"]
["195670127","[NH-][NH+](NI)[NH+](N)[O-]"]
["78610241","CNN(I)I"]
["178249357","CN(C)CC(C)(C)NI"]
["179421548","CC([I-]I)N(C)C"]
["176691553","O=Cc1ccccc1NI"]
["184217574","C[C@H](CN(C)I)N(C)C"]
["144642134","CN(NI)ON"]
["169995921","CN(I)NCc1ccccn1"]
["195783943","[NH-][NH+](N)OO[N+](N)(N)N=O"]
["195732477","CO[NH+]([NH-])C(C)C"]
["190536839","CCCC[AtH]ON=O"]
["173012924","O=NON=O.[H-].[Na+]"]
["91227602","O=NOO.[Pt]"]
["195871954","N[NH+]([O-])CC[NH+](N)[O-]"]
["161493440","N=NN[C@@H](CN=O)C(=O)ON"]
["91058863","COC1=CNC(=C(N)N=O)N=C1"]
["67013861","CC(=O)O[N+](C)(C)N=O"]
["78502165","O=NON=O.[Mg+2].[Na+]"]
["195499469","C=N[NH+]([NH-])[NH+]([O-])ON"]
["139677545","COC(=O)C(N=C(O)[C@H](C)N)C(C)C.Cl"]
["90734792","CN(Cc1ccc(B2OC3OC4C(CO)OB(c5ccccc5CN(C)CC5=C[CH+]C=C5)OC4C3O2)cc1)Cc1ccc[cH-]1.[Fe+2]"]
["69481317","CN(Cc1ccccc1)Cc1csc(N)c1C(=O)c1ccc(Cl)cc1"]
["1049633","CN(Cc1ccccc1)Cc1ccccc1C(O)c1ccccc1"]
["42567230","C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(F)cc2)Oc2ncc(C#Cc3cccnc3)cc2C1=O"]
["66885982","CC1(C)OCc2cc(C(O)CNCCCCCCCCCN3CCC(OC(O)=Nc4ccccc4-c4ccccc4)CC3)ccc2O1"]
["61613235","C1=CC(CCC=Cc2ccc[cH-]2)=C[CH+]1"]
["59487762","COc1ccc(S(=O)(=O)NCc2ccccc2CN(C)C)c2ccccc12"]
["139446547","CN(Cc1ccccc1)Cc1cc(Br)cn1C"]
["MCULE-4719033708","CN(Cc1ccccc1-c1ccc(CC(=O)O)cc1)C(=O)C1Cc2ccccc2O1"]
["95333129","COc1ccccc1CC(=O)CC1CNCCO1"]
["129648868","CNC(=O)c1ccc(CN(C)Cc2nc(-c3ccccc3Cl)cs2)cc1"]
["80802653","CC1CC(C)CN(Cc2ccccc2C[NH2+]C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)C1"]
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["174075104","[B]=c1[c-](-[c-]2c(=[B+])c(=[B+])[c-]3c(=[B+])c(=[B+])[c-]4[c-]5[c-](c(=[B+])c(=[B])[c-]2[c-]35)C(=[B+])C(=[B+])C4=[B+])c(=[B])[c-]2[c-](c(=[B])c(=[B+])[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]32)[c-]1-[c-]1c(=[B])c(=[B+])[c-]2c(=[B+])c(=[B+])[c-]3[c-]4[c-](c(=[B+])c(=[B])[c-]1[c-]24)C(=[B+])C(=[B+])C3=[B+]"]
["171619887","[B]=c1c(=[B+])c(=[B+])c(=[B+])[c-]2[c-]1[c-]1[cH-][c-]3c(c(=[B+])[c-]1[c-]1c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]21)=[B-]=c1[cH-][c-](Br)[c-]2c4c5c(c(=[B+])c(=[B+])c(=[B+])[c-]5[c-]5c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]25)n-3c14"]
["174062660","[B+]=C1C(=[B+])C(=[B+])[C-](n2c3c(=[B+])c(=[B+])[c-]([C-]4C(=[B+])C(=[B+])[c-]5[c-](n(-[c-]6[n-][cH-][n-][c-]7[c-]6o[c-]6[cH-][cH-][c-](-n8[c-]9c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]9[c-]9c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]98)[cH-][c-]67)[c-]6c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]56)C4=[B+])[cH-]c=3[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]32)C(=[B+])C1=[B+]"]
["174152069","[B+]=C1C(=[B+])C(=[B+])[C-]2C3=C(N[C-]2C1=[B+])[C-](n1[c-]2[cH-][cH-][cH-][cH-][c-]2[c-]2c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]21)C(=[B+])C(=[B+])C3=[B+]"]
["174134560","[B]CC([B])[c-]1c(=[B])[c-]2[c-]([cH-][c-]1[CH-]C#B)[c-]1c(=[B])[c-](C3C(=[B])C(=[B+])[c-]4[c-]([c-]5c(=[B])c(=[B+])c(=[B+])c(=[B+])[c-]5n4[C-]4C(=[B+])C(=[B+])C(=[B+])C(=[B+])C4=[B+])C3=[B])c(=[B])c(=[B+])[c-]1n2[C-]1C(=[B+])C(=[B+])C(=[B+])C(=[B+])C1=[B+]"]
["174045550","[B]=C1C(=[B+])[C-]([C-]2[N-][C-]([C-]3C(=[B+])C(=[B+])C(=[B+])C(=[B+])C3=[B+])[N-][C-]([C-]3C(=[B+])C(=[B+])C(=[B+])C(=[B+])C3=[B+])[N-]2)C(=[B+])[c-]2o[c-]3[c-]([c-]21)C(=[B])C(=[B+])C(=[B+])[C-]3n1[c-]2c(=[B+])c(=[B+])c(=[B+])c(=[B])[c-]2[c-]2[c-]3s[c-]4c(=[B+])c(=[B+])c(=[B+])c(=[B])[c-]4[c-]3c(=[B+])c(=[B+])[c-]21"]
["174148546","[B]=C1C(=[B+])C(=[B+])C(=[B+])C(=[B])[C-]1[C-]1[CH-][CH-][CH-][CH-][C-]1n1[c-]2[c-]([c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]31)C(=[B+])[C-](n1[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B])[c-]3[c-]3c(=[B])c(=[B+])c(=[B+])c(=[B+])[c-]31)C(=[B+])C2=[B+]"]
["174063731","[B]=C1C(=[B+])C(=[B+])[C-](C(C)(C)C)[c-]2s[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B])[c-]3[c-]21"]
["174072480","[B]=C1C(=[B])[C-](n2[c-]3c(=[B+])c(=[B+])c(=[B])c(=[B])[c-]3[c-]3c(=[B])c(=[B+])c(=[B+])c(=[B+])[c-]32)[CH-][C-](n2[c-]3c(=[B+])c(=[B+])c(=[B+])c(=[B])[c-]3[c-]3c(=[B])c(=[B+])c(=[B+])c(=[B+])[c-]32)C1=[B]"]
["174148455","[B]=C1C(=[B+])C(=[B+])C(=[B+])C(=[B])[C-]1[C-]1[CH-][CH-][CH-][C-](n2[c-]3[c-]([c-]4c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]42)C(=[B+])[C-](n2[c-]4c(=[B+])c(=[B+])c(=[B+])c(=[B])[c-]4[c-]4c(=[B])c(=[B+])c(=[B+])c(=[B+])[c-]42)C(=[B+])C3=[B+])[CH-]1"]
["174152057","[B]=c1c(=[B+])c(=[B+])[c-]2[nH][c-]3[c-]([c-]2c1=[B])[C-](n1[c-]2c(=[B+])c(=[B+])c(=[B])c(=[B])[c-]2[c-]2c(=[B])c(=[B])c(=[B+])c(=[B+])[c-]21)C(=[B+])C(=[B+])C3=[B+]"]
["172940105","C=C(C)C(=O)OCCC[N+]12OC3(C)[N+]4(C)CO[N+]5(C)O[N+]6(C)O[N+](/N=C\\C)(O4)O[N+]3(OC53O[N+](C)(O1)O[N+]3(C(=C)C)O6)O2"]
["164245772","C=C(C)C(=O)OCC(CO)CC1CCC(c2ccc(CCC=C(F)F)cc2)CC1"]
["78481695","C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC(=O)C(=C)C)cc3)cc2F)cc1"]
["159329238","C=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC.C=CC(=O)OCCC[Si](Cl)(Cl)Cl"]
["79642394","C=C(C)C(=O)OCCCC(C)O[SiH2]OC(C)=O"]
["69904388","B#SOCC1CCCC(C=C(C(=O)OC)C(=O)OC)N1C"]
["101107520","C=C(C)C(=O)OCCCCCCN1CCN(c2ccc(/N=N/c3ccc(C#N)cc3)cc2)CC1"]
["194389494","C=C(C)C(=O)OCCCC.C=CC(=O)O.C=CC(=O)OCC(C)C"]
["169994971","C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2CC)cc(CCCOC(=O)C(=C)C)c1OCCC(CC)(CO)CO"]
["150252383","C=C(C)C(=O)OCC(O)COCC1CCC2C(C1)C1CC13CCC23COCC(O)COc1ccccc1"]
["154930535","C=C(C)C(=O)OCCC1(OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F)CCCC1"]
["185435027","C=C(C)C(=O)OCCOP(=O)(OCCC(Br)Br)OCCC(Br)Br"]
["183832826","[C-]#[N+]N(OS[N-][N+]#N)N(N)[N-][N+]#N"]
["182829405","[C-]#[N+]SC1(N2C(=O)CCC2=O)N([N-][N+]#N)CCOC1([N+]#[C-])N1CCCCC1"]
["184005124","[C-]#[N+]NS[N-][N+]#N"]
["182167850","[C-]#[N+]OO[N-][N+]#N"]
["149808907","[C-]#[N+]C([N+]#N)=C([O-])N(C)OC"]
["182184069","[C-]#[N+]Cc1cc2cc(O[N-][N+]#N)ccc2n1SCN"]
["192667921","[C-]#[N+]c1ccc(SCCCBr)cc1.[C-]#[N+]c1ccc(SCCC[N-][N+]#N)cc1"]
["181208114","[C-]#[N+]SN(OOC(F)(F)F)N(C(=O)O)[C+]([O-])[N-][N+]#N"]
["183701022","[C-]#[N+]S(=N)N([N-][N+]#N)[N+](=O)[O-]"]
["181807532","[C-]#[N+]c1cccc(O[N-][N+]#N)c1"]
["191764177","[C-]#[N+]CCCCBr.[C-]#[N+]CCCC[N-][N+]#N"]
["183051831","[C-]#[N+]SC([N-][N+]#N)c1ccccc1"]
["190296561","O=c1c2ccc3c4c(c(=O)n5c6cc(Br)sc6cc35)=S=c(c24)c2cc3sc(Br)cc3n12.O=c1c2sc3c4c(ccc(c24)c2cc4scc(Br)c4n12)c(=O)n1c3cc2scc(Br)c21"]
["191322710","CCCCCCCCC(=O)OCCc1cc2c(cc3c4ccc5c6c(ccc(c(=O)n23)c46)c(=O)n2c3cc(CCOC(=O)CCCCCCCC)sc3cc52)s1"]
["162758121","CC1CN(Cc2ccc(Br)s2)C(=O)C1C"]
["179751552","c1ccc2c(c1)SCC2c1cc2oc3cc(-c4csc5ccccc45)c4ccsc4c3c2c2sccc12"]
["178820865","CC1C=Cc2c(c(=O)c3c(Br)cc(Br)cc3c3ccccc23)C1"]
["194395237","CCCCC(=O)c1ccc2nc3c4ccc5c(=O)n6c7cc(C(O)=NCCS(=O)(=O)O)ccc7nc6c6ccc(c(=O)n3c2c1)c4c56"]
["32066309","Cn1c(C(=O)c2ccc(Br)cc2)c(-c2ccccc2)c2c(=O)oc3ccccc3c21"]
["5132491","COc1cccc(Cn2c(C(O)=NC[C@H]3CCCO3)cc3scc(Br)c32)c1"]
["65923441","CCn1c(C(O)=NC(C)c2ccccc2)cc2scc(Br)c21"]
["156050477","O=c1[nH]ccn2c(Br)c(C#CCN=C(O)Cc3ccc(Cl)cc3Cl)cc12"]
["17735493","CCOC(=O)c1cc2sc(Br)cc2n1CC(=O)N(C)C"]
["92567204","Cc1nn(-c2ccccc2)c2sc(C(=O)/N=C3/N=C4C=CC(Br)=CN4Cc4ccccc43)cc12"]
["80166470","CC=CC=CC(O)=C1C(=O)C(C)(O)C2(O)OC3(C)C(=O)C(C)=C(O)C(=C(O)C=CC4C(C)C5C(=C(O)C=CC=CC)C(=O)C4(C)C(=O)C5(C)O)C3C2(C)C1=O"]
["188623783","C/C=C/C=C/C(O)=C1\\C(=O)[C@@]2(C)C[C@@]3(C(=O)C(Cl)=C[C@H](O)[C@H]3O)C1[C@](C)(O)C2=O"]
["CNP0296758.1","CC(=O)OC1=C2/C(=C\\[C@](C)(O)CC=C=C(C)C[C@@H]2OC(C)=O)OC1=O"]
["153711141","CC1=CC[C@@H]2O[C@]1(C)O[C@@H]([C@H](C)/C=C(C)/C=C/C(O)=C1/C(=O)CN=C1O)[C@H]2C"]
["109631883","C[C@H]1CCCC[C@@]12N=C(O)N(CC(O)=Nc1cccc(Cl)c1N(C)C)C2=O"]
["115616402","C/C=C/C=C/C(O)=Nc1nc(CN(C)C)cs1"]
["184167637","C[Cl+]CCCN1C(=O)C(C)(C)Oc2ccc(N([C-]([NH-])[C@H]3CNC[C@@H](C(=N)NC4CCCCCC4)C3)C3CC3)cc21"]
["65845085","COc1cc2c(cc1/C=C1/SC(=O)N(CC(O)=Nc3ccccc3)C1=O)C(C)CC(C)(C)N2C"]
["7296085","C/C=C/C=C/C(O)=NN=C(O)[C@@H]1CCCO1"]
["49546468","CC(C=C/C(O)=C1/C(=O)CN=C1O)=C[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C"]
["80483411","Cc1ccc(CN2C(=O)C(=Cc3cc4c(cc3Cl)N(C)C(C)(C)CC4C)N=C2O)cc1"]
["30703794","CC(O)=N[C@H]1[C@@H](O)C=C2C=C3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C"]
["192055024","CC(C)(C)C1=CC(C)(C)C(C)(OC=O)C(C)(C)C1(C)C.CC1(OC=O)CC=C(C(C)(C)C)CC1.CC1=C(C(C)(C)C)C(C)(C)C12C(C)(C)C(OC=O)(OC=O)C2(C)C"]
["30493630","CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]
["70522678","CC12CC(=CF)C3C4CCCC=C4CCC3C1CCC2=O"]
["161622014","CCCCN(CCCC)c1nc(-c2c(C)cc(C(C)(C)C)cc2C)c(/C=C2\\C(=O)N(N(Cc3ccccc3)C(C)=O)C(=O)C(C(=O)N(Cc3ccccc3)C(C)=O)=C2C)s1"]
["172230256","CC1=CC(OC(=O)OC(C)(C)C)=CC(C)(C)C1"]
["179749202","CC(C)(C)c1nc(C2=CCCC(N=CC=CN)=C2)nc(C(C)(C)C)n1"]
["74617662","CC(C)(C)OC(=O)N1CCC(C=O)(N(Cc2ccccc2)Cc2ccccc2)CC1"]
["169974090","CO[C@@H](C)[C@]12CC[C@@](C)(O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]
["75473006","CC(C)(C=O)CC(=O)OC[C@]1(C)CCC[C@@]2(C)C3=CC[C@](C)(I)CC3CCC12"]
["154224986","COC1=CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1=O"]
["120572982","COC(=O)c1ccc2c(c1)N=C(O)C1(CC1)CN2C"]
["98237013","C=CCO[C]1C(C(C)(C)C)=CC(C)=CC1=C1c2ccccc2C2=CC3=CC(C)(C)CCC3=C2C1(C)C"]
["171820725","[NH2+]=C1NO[Si-]O1"]
["178459117","[B+]=C1OC(=[NH2+])N[C-]1C"]
["112544190","c1noc(CCN=c2cc[nH]cc2)n1"]
["79113505","[O]C1=NCON1"]
["174583603","OC1=Cc2c(cccc2N2CC(O)C2)ON1"]
["5099981","[NH2+]=C1CC(=O)ON1"]
["180270076","[NH2+]=c1[nH]c2c(O)cccc2s1"]
["151880383","CC1=N[C@@H](c2nc(Cl)n[nH]2)ON1"]
["73954362","Br[C]1C=CON1"]
["149872579","[NH2+]=c1nc2nc(O)oc2c[nH]1"]
["179424171","Cc1nc(=[NH2+])[nH]o1"]
["174553973","C1=CC2=C(CON2)[NH2+]1"]
["24948485","CC(C)(C)C1=C(O)C(C(C)(C)C)=C(CCSCCC2=C=CC(C(C)(C)C)=C(O)[C-]2C(C)(C)C)[C+]=C1"]
["173562329","CC(C)(O)Cc1csc(N=CO)n1"]
["167238840","CCN(CC)C1=C(C(C)(C)C)C(=[S+]C)C1(C)[Si](C)(C)C"]
["59822886","CCCSCCc1ncc(C(C)(C)C)o1"]
["118209960","Cc1nc(N(C)C)sc1CNCC(C)(O)c1cnn(C)c1"]
["171588813","CC(C)(c1cc(Cl)c(O)cc1O)c1cc(Cl)c(O)cc1O"]
["74183153","CC(C)(C)C1=C(C(C)(C)C)[C](O)C(=C=O)C=C1"]
["112056469","CSCC(C)(O)CNC(C)c1ccc(Cl)c(Cl)c1Cl"]
["46283085","CC(C)(C)C1=C(O)[C-](C(C)(C)C)C=C=C1.[Li+]"]
["149084947","CCC(CN)CC(CNCC(C)(O)CC(C)c1ccccn1)CC(C)CN(CC(C)(O)CC(C)c1ccccn1)CC(C)(O)CC(C)c1ccccn1"]
["59450259","CC(C)(C)c1cc(CCCSCc2ccccc2Cl)cc(C(C)(C)C)c1O"]
["148550777","CC(C)(C)N1CC2CC=C(O)C2C1"]
["64845992","C1=NC=C2[N]NN=C12"]
["179620972","[B+]=C1C=NC=C2S[C-]=CC12"]
["161979137","C1=NC=N/C1=C/NN/C=C1\\C=NC=N1"]
["161886220","C1=NC=C2CC=NNC=C12"]
["167121244","[O-][N+]1=c2cc3c(cc2C=C1)=CN=C3"]
["120851756","SC1=NC=C/C(=C2\\C=CN=C2)N1"]
["178276394","C1=NC=C2NN=NC2C1"]
["82170883","CC(C)C[N+]1=C2C=NC=C2C(=O)N(C)C1=O"]
["99606478","CCN1C(S)=NN/C1=C1/C=NC=C(Cl)C1=O"]
["81584877","O=C1C=C2C(=NC3NC=CC(=O)C23)C=N1"]
["25573911","C1=CC2=CN=CC2=C1"]
["173629438","O=C1C=C2C=NC=C2O1"]
["161671364","Oc1c(O)c2c3c(c1O)OB(O2)O3"]
["144943650","CC1Cc2c(CCO)c3c(c(O)c2O1)CC(C)O3"]
["59261789","Oc1c2c(c3cc4ccccc4cc3c1O)O2"]
["173067957","CC.CC1C(=O)OC(O)=C1O"]
["27292467","COc1cc(-c2oc3ccc(F)cc3c(=O)c2O)cc(OC)c1OC"]
["172732397","Nc1coc(O)c1O"]
["171334235","COc1c(O)c(C(C)C)c(C=O)c2c1O2"]
["171687794","Oc1c2c3c4c(cccc4c1O)OB(O2)O3"]
["174797681","Oc1occ([OH2+])c1O"]
["172655945","O=S(=O)(O)c1c(O)c(O)c(O)c(O)c1S(=O)(=O)O"]
["26874252","N=C([O])c1conn1"]
["10739848","COc1c(O)c(C=O)c(OC)c2c1OCO2"]
["180482090","C1=CC2=CS[N-]C(=I2)C=C1"]
["179705035","OC1=C2C=CC=C3[N-][N-]C(=C4C=CC=CC1=I4)C3=I2"]
["175175363","N.[B+]=C1C=CC=C[N-]1"]
["79098347","[F+]=C1C=CC=CC1=[As-]"]
["83469348","Cc1cnc(N=C(O)C2=CC(=O)N=C3C=CC=CC23)s1"]
["195375826","CN(C)C1N2C=CC=CC2=C2C=CC=CN21"]
["26508035","C[C]1C=CC(=C2CC2)C=C1"]
["185872780","O=C([O-])C1=CSC=CC=C1"]
["179468955","CC(C)c1coc(C2=IC(N)=CC=C2)n1"]
["178604609","N=C/C=C1/C=CC=CC1=N.[H+]"]
["180606230","CC(C)=C1C=CN=C[CH+]1"]
["175837502","CC.CN=C1C=CC=CC2=CCC21C"]
["74490191","[O-][NH+]1CNC[CH]SC1"]
["25789028","[C]1=CCNSC1"]
["149662378","O=[N+]([O-])C1CCSN1"]
["179815891","C1=ICCNC1"]
["82272405","[O-][NH+]1C[CH]NCC1"]
["74894826","NS(=O)(=O)c1ccc(C2=CSC[NH+]2[O-])cc1F"]
["91602952","[O-][N+]1([O-])C[CH]SCC1"]
["195961499","[O-][NH+]1CNCCN1"]
["149680307","CC1=CCCCC(C2=CCNCC2)S1"]
["172447796","C1=CCNC1.c1ccsc1"]
["26536047","CC1=CCNC1"]
["178750044","c1scc2c1ONS2"]
["184266480","CC(C)N1C(C)(C)N(SS)C(C)(C)I(C(C)C)C1(C)C"]
["52879923","CC(C)N1C(=O)SC(C)(C)C1=O"]
["93253230","CC(C)C1C(O)=NC(C)(C)C(=O)N1C(C)C(C)(C)C"]
["MCULE-7934105911","CC1CCc2c1c(CCl)nn2C(C)C"]
["175953876","CC(C)N1C(C)(N)c2[c][nH]cc2C1(S)I.[Al]"]
["180176337","CC(C)N1C(O)=NC(C)(C)C2OC21"]
["62453526","CC(C)CC1(C)CN=C(O)O1"]
["158110458","C[C@@H]([C@H]1CC1(C)C)n1cnnc1S"]
["120971525","CC(C)N1CCC(CCN)CC1(C)C"]
["175491656","CC(C)CSS.[Zn]"]
["120570521","CC(C)N1c2c(cccc2C(=O)O)N=C(O)C1(C)C"]
["96451847","CC(C)N1C(=O)C2(CCC2)CN=C1O"]
["174817456","C1=C2C=C3C=C(C=C13)[OH+]2"]
["97093276","[F+]C1=[Si]=C1"]
["179870392","CC1=I[N-]C(C(C)(C)C)=C1"]
["173383340","O=C1CC=C2C=C3C=C2C=C13"]
["25379081","O=C1C=C2C=C(Cl)C(=O)C=C2C=C1Cl"]
["42616471","CC1=CC(=[Si-])C[CH+]1.[Na+]"]
["74600591","CC1=CC(=O)N(C)[N]1"]
["183131015","CC1=CC(=C[N+]#N)[N-]C(Cl)=C1C#N"]
["77491019","O=C1C=C(Br)C(O)N=N1"]
["50582591","Cc1ccc(C)[siH]c1"]
["103041318","N#CC1=C/C(=N\\N=C2\\C=CC(=O)C(C#N)=C2)C=CC1=O"]
["88130323","COc1cc(Br)ccc1C1(N)CCC1"]
["110929699","[CH]1CC/C=C\\CCO1"]
["97611011","C1=C[C@H](C2CCCCC2)OCC1"]
["99369718","C1=NC/C=C\\CCOC1"]
["26258417","CCC1=CCCC=CCC1"]
["48600491","C1=C[SiH2]OC1"]
["25692143","O=C1CCC=CCO1"]
["96634595","CC(C)OC(=O)N1CC(=O)OCC/C=C\\CCC(=O)N1C(=O)OC(C)C"]
["26551023","[C]1=COCC=CS1"]
["493218","CC(O)=NN1CC=CCC1"]
["97758242","O=C1CCC/C=C\\CCO1"]
["34446962","CC1CN(C(=O)CO/N=C2\\C=C\\CC/C=C/CCOC(=O)c3c(O)cc(O)cc3C2)CC(C)O1"]
["175684621","O=C(ON1C=CCCO1)C(F)(F)F"]
["162273330","N=C1N=C(S)C2=CN=NC2=N1"]
["70537416","CC=NNC1=CN=NC(=O)C1Cl"]
["65664841","N=c1nc(NN=C2N=CN=N2)[nH][nH]1"]
["76826094","N=C1N=C(S)C2C=NN=CC2=N1"]
["168382876","N=C=C1N=NC=C1I"]
["172475644","CC(C)(C)/C=C1\\SC(=N)N=C1S"]
["169018800","CCCCCOc1cc(C)c(/C=C2\\C(=N)N=C2S)c(C)c1"]
["83440261","N=C1N=C(S)C2N=CN=NC2=N1"]
["90465843","S=C1N=C2N=NC=C2C(NN=Cc2ccccc2)=N1"]
["84101000","CC(C)(C)COc1ccc2c(c1)C(=N)N=C2S"]
["190713944","Br.N=C1N=C(O)C2=NC=NC2=N1"]
["85016218","N=C1N=C(O)C(c2cccc(Br)c2)C(O)=N1"]
["179561788","IC1CC2=C(C3C[C@H]13)[C@H]1CC1N2"]
["162826053","Clc1ccc(C2CNCC2CI)cn1"]
["162850078","CC=C1C[C@@H]2C[C@@H](O)[C@H]1C2"]
["180077288","C=C1N[C-]=C(C)CC1I.[Y]"]
["184458411","CC1CC(C2CCC(C)C(I)C2)NN1"]
["178830362","CC1CC=C(Cl)C2CC12"]
["97380299","O[C@@H]1C[C@H]2CC(=S)[C@@H]1C2"]
["109609300","N[C@@H]1C[C@H](O)CC2=C1[C@H]1CC(Br)=CC[C@H]1N2"]
["109609297","N[C@@H]1C[C@H](O)CC2=C1[C@H]1[C@@H](Br)C=CC[C@H]1N2"]
["156747217","C[C@H](O[C@H]1CCCC[C@@H]1I)C(F)(F)F"]
["180750873","CCCC1CC2=C(C)C3CC(C(C)C2C1)C3CC"]
["178945838","OC1CC(OC2=CNC3CCC(I)CC23)CCCC1I"]
["175649449","COc1cc(OC)c(-[c+]2[n-]c3c[n-][c+]([O-])[n-][c+]3[n-]2)cc1[Br+]C"]
["92909740","COc1ccc(CC(N)CC(C)OC)cc1F"]
["MCULE-6917930208","COc1ccc(F)cc1C(O)=NCc1ccc(CN=C(O)c2ccccc2)cc1"]
["148567759","CCC1Cc2cc(Br)cc(OC)c2O1"]
["145419828","COc1cc(F)nc(CN)c1C(F)F"]
["172496693","COc1cc2[nH]c(C(C)=O)c(C(C)Cl)c2cc1OC"]
["100214662","COc1ccc(C(=O)S(=O)[O-])cc1OC"]
["163108785","COc1cc(-n2cccc2)c(C)cc1N"]
["MCULE-5149601495","COc1cc(C(O)=NCc2ccc(S(=O)(=O)NC(=N)O)cc2)c(Br)c(OC)c1OC"]
["119601381","CCc1ccc(S(=O)(=O)NCC(O)=NCc2ccc(OC)c(OC)c2)cc1"]
["158984831","COc1cc(O)cc(OC)c1[C@@H](N)[C@@H](O)C1CCC1"]
["MCULE-9996746577","COc1cc(N)ccc1-n1nnnc1-c1cccc(C)c1"]
["171735321","CCCCOC(OCCCC)=C(OCCCC)C(OCCCC)=C(OCCCC)C(OCCCC)=C(OCCCC)C(OCCCC)(OCCCC)C(OCCCC)OC(CC(C)OCCCC)OCCCC"]
["194605881","CCCC/C=C/C=C\\CCCCCCCC(OCCCC)OCCCC"]
["26014991","CCCCCCCCC#C[C@@H](CCC(=O)OC)OCCCC"]
["79873609","CCCCO[C@@H](C(=O)O)[C@@H](F)CN=[N+]=[N-]"]
["175439912","CCCCOC(=S)N(C)CCNC"]
["MCULE-7457114264","CCCCn1cc(OCC(O)=NC(C)C)c(=O)cc1CNc1ccc(C(F)(F)F)cc1"]
["127192201","CCCCOC(=O)C(C)Sc1ncnn1C"]
["170176352","CCCCCCCCOC(=O)CCCC(=O)OCC(COC(=O)CCCC(=O)OCCCCCCCC)(COC(=O)CCCN(C)C)COC(=O)CC(CCCCC)CCCCC"]
["189889746","CCCCO[C@@H](C)/C=N/SC(C)(C)C"]
["MCULE-3120713779","CCCCOC(=O)c1ccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3ccc(OC(C)C)cc3)C2=O)cc1"]
["183533138","CCCCOC(O)=NS"]
["181442336","CCCCCCCCCCCCCCCCCCCCCCOC(OC)(OCCCCCCCCCCCCCCCCCC)C(OCCCCCCCCCCCCCCCC)ON=[N+]=[N-]"]
["67434460","c1ccc(PCC[OH+]CC[PH2+]c2ccccc2)cc1"]
["22928212","[C-]#[N+]Cc1ccccc1"]
["19048368","O=C1C(=O)[C@@H](N=c2cc[nH]cc2)/C1=N\\[C@@H](CO)c1ccccc1"]
["84523520","CCC(O)(CNC(C)(C)C)Cc1ccccc1"]
["78291394","CC(C)(C/C=C/c1ccccc1)Oc1ccc(OC(C)(C)C/C=C/c2ccccc2)cc1"]
["156240043","c1ccc(CN(Cc2ccc(CN(Cc3ccccc3)CC3CC3)cc2)CC2CC2)cc1"]
["27013299","[N]NCc1ccccc1"]
["129218554","CC(C)NS(=O)(=O)CCN=C(O)Nc1nc(Cc2ccccc2)cs1"]
["73640638","[CH2]Pc1ccccc1"]
["175264679","CC(CC=N)(Cc1ccccc1)C(=O)c1ccc2[nH]ccc2c1.Cl"]
["104863829","CN[C@@]1(CO)CCCN(Cc2ccccc2)C1"]
["141317863","CCC(C)(C)N=C(O)C(N=C(O)OC(C)(C)C)c1ccccc1"]
["178844520","C1=NC=[I+]=CCC1"]
["73723760","SC1=CCCC=N1"]
["175065744","C=C/C(C)=N\\C1=CCCC=N1"]
["100258040","CC1C2CCC/C=N/N1C2"]
["78997164","CC1[N]CC=N1"]
["149952035","CC1=CN=CCCC=C1"]
["148704472","BrC1=CN=CCN1"]
["176218547","C1=NN(N=NN2CCC=N2)CC1"]
["74089894","[O]S1=CCNC1"]
["173857626","C1=CC2=C(/C=C\\NC1)CCCC=N2"]
["164291138","COC1=C(Br)N=CCC1"]
["178836857","OOC1=CCCC=N1"]
["150181628","C1=CC(=C2NOC=C2C2=CONC2=c2ncc(=C3N=CC(C4=NC(=C5N=CC=N5)N=C4)=N3)[nH]2)ON1"]
["85790549","Nc1cc(C2=NC(=C3N=CC=N3)NO2)cc(C(F)(F)F)c1"]
["112266727","CNC(c1ccccc1)C(C)C1=NC(=C2N=CC=N2)NO1"]
["85790469","Nc1cc(F)c(F)cc1C1=NC(=C2N=CC=N2)NO1"]
["85792377","NCCc1nc(C2=NC(=C3N=CC=N3)NO2)cs1"]
["110937988","C1=C/C(=C2\\N=C(C3CCCN3)NO2)N=C1"]
["85790937","C1=NC(=C2N=C(CCC3CCNCC3)ON2)N=C1"]
["49095235","C1=NC(=C2N=CNO2)N=C1"]
["86829180","NCc1ccccc1CC1=NC(=C2N=CC=N2)NO1"]
["112617435","Oc1cc(C2=NC(=C3N=CC=N3)NO2)ccc1I"]
["120106388","NC1=C/C(=C2\\NC(=C3N=CC=N3)NO2)C=CC1=O"]
["99760518","O=NCC1=N/C(=C2\\C=CON2)N=C1"]
["173344835","O=[P-](O)(O)=ICI=[P-](=O)(O)O"]
["26605510","CCC(=S)C[O]"]
["163944643","C=[P-](=O)(O)OCCC[Si](O)(O)O.[Na+]"]
["193368740","CC(=O)OC(=O)C(C)=O.[Cr]"]
["181052245","C=CC(=O)C(O)CCN=[N+]=[N-]"]
["193898024","N=S.O=NO"]
["174631834","CCCOCC(=O)C(=O)OC(C)=O.[Ti]"]
["57470903","O=C(CO)[C@H]1OC[C@@H](O)[C@H]1O"]
["184717745","OS1(O)OCC(CF)CO1"]
["162276290","O=C([O-])C1OCC(O)C1O.[K+]"]
["96682409","CC(C)(C)[C@H](O)C[N+](=O)O"]
["33278552","CC(=O)OCc1cn(C)cc1COC(C)=O"]
["180982405","O=P(=O)[Si]([N+](=[Si](P(=O)=O)P(=O)=O)[Si](P(=O)=O)=P(=O)O)P(=O)=O"]
["183722243","CC(=O)OC#CN=[N+]=[N-]"]
["173404307","C=NCC=C[NH3+].O=P(=O)O"]
["194039247","O=P(=O)O.OB(O)[OH2+]"]
["99530089","O=P(=O)O.[NH3+]CCC(O)P(=O)(O)O"]
["43879242","C=CC[S-].O=P(=O)O"]
["157754144","O=P(=O)O.O=P([O-])(O)O.[Ca+2]"]
["175311460","CC(C)(C)C(=[OH+])OP.O=P(=O)O"]
["168345061","C=C[C+](C=C(C)C)P(=O)=O"]
["172907145","[N]=P(=O)O"]
["79308296","O=[P](O)O.[NH4+]"]
["79298946","CC[P](=O)O"]
["181843355","N#CC1=CC(=NC(Cl)c2cnccn2)N=N1"]
["MCULE-9256750111","COc1cc(OC)c(C(O)=Nc2ncc(-c3cncc(C#N)c3)cc2C)cc1OC"]
["33901619","c1ccc2c(c1)CCc1c(-c3cnccn3)n[nH]c1-2"]
["MCULE-2477308903","Cc1cc(C(=O)N2CCC(CCN=C(O)c3cnccn3)C2)c(C)n1C(C)C"]
["113953756","N#Cc1ccnc(Sc2cc(F)ccc2F)c1Cl"]
["94023110","CCC(N)c1ccccc1Sc1cnccn1"]
["162214478","N#CCc1c(C(F)F)ncc(C#N)c1CN"]
["5855263","CN(Cc1cnccn1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1"]
["112297682","CCCC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)O"]
["174906277","C/C=C\\C=c1\\nccn\\c1=C\\C.CC.CC"]
["121771634","CC1CCCN(CCCCNC(C)c2cnccn2)C1"]
["160536145","CC(c1cnccn1)N1CCCC1C1COCCC1(C)O"]
["172728513","C[N+](C)=C(SSSSC(S#[Si-])=[N+](C)C)S#[Si+]"]
["174426209","C=[N+](C)/C=C\\C(=C/C)N(C)C"]
["190580636","C.CN(C)C(N(C)C)=[N+](C)C"]
["172579853","OC(=NS)SSSSSSC(O)=NS"]
["53199255","CC(C)N(C(C)C)P1N(C(N(C)C)=[N+](C)C)P(N(C(C)C)C(C)C)N1C(N(C)C)=[N+](C)C"]
["64761356","CC(C)SC(N(C)C)=[N+](C)C"]
["100926209","C[N+](C)=C(SCCCS(=O)(=O)[O-])SC(=S)[NH+](C)C"]
["78682240","CCSC(N(C)C)=[N+](C)C.[OH-]"]
["172809114","CCO[Si](CCC(=O)SC(SSSSC(SC(=O)CC[Si](OCC)(OCC)OCC)=[N+](C)C)=[N+](C)C)(OCC)OCC"]
["26283542","C=CCC(=C)SSSSSSC(=C)CC=C"]
["79905578","CSC(N(C)C)=[N+](C)C.[C-]#N"]
["172304122","CSN(C)C(=O)SSSSC(=O)N(C)SC"]
["97852589","OC1(Cl)[CH]C(Cl)=CC2=C1Oc1cc(Cl)cc(Cl)c1O2"]
["125012285","CN(Cc1ccco1)C1c2cc(Cl)cc(Cl)c2CC1O"]
["106103526","CCN(CC)[C@@H]1c2cc(Cl)cc(F)c2OC[C@H]1O"]
["166209930","O=C(/C=C(\\[O-])Oc1c(Cl)cc(Cl)cc1Cl)Oc1c(Cl)cc(Cl)cc1Cl"]
["13378297","C[C@]1(C(O)=Nc2ccc(Cl)c(Cl)c2)Oc2ccc(Cl)cc2N=C1O"]
["20958801","CC[NH+]1CCC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1"]
["108587191","O[C@H]1c2c(Cl)cc(Cl)cc2NCC12CC2"]
["26918498","C=CCc1ccc(-c2ccc(Cl)cc2Cl)c(O)c1-c1ccc(Cl)cc1Cl"]
["106171030","C[C@@H](C(=O)O)[C@H]1CCCOc2c(Cl)cc(Cl)cc21"]
["185861455","Cc1c(Cl)cc2c(c1C)Oc1c(C)c([O-])c([O-])c(C)c1O2"]
["141929651","CCc1noc(CC)c1CC(O)=NCCOc1ccc(Cl)cn1"]
["125205295","CC(=O)CC1COCCN1C(=O)c1cc(Cl)c(Cl)[nH]1"]
["48438013","O=S1(=O)N2CN3CN(C2)S(=O)(=O)N1C3"]
["197296952","O=S1(=O)CCC2(CC1)OCCC21N=N1"]
["61211294","O=S1(=O)CN(c2ccccc2)CS(=O)(=O)CN(c2ccccc2)C1"]
["84069156","CCN1CCN(CC)S1(=O)=O"]
["180732206","CN1CN(C)C(=N)N(C)C1"]
["66037675","O=S1(=O)N2CN3CN4CN1CN(C4)S(=O)(=O)N(C3)C2"]
["82399539","CC1CS(=O)(=O)N(C)C1C"]
["96750070","C[C@H]1[C@H](C)S(=O)(=O)CCN1C"]
["165453156","CN1C(=N)S[C@H]2CS(=O)(=O)C[C@H]21.I"]
["89622405","CN1CC(C(=O)O)CN(C)S1(=O)=O"]
["156424418","C[C@H](C(=N)S)N1CCCS1(=O)=O"]
["92914216","CC(C)OC1(CN)CCS(=O)(=O)C1"]
["91360048","[Si]1=P2=[Si+]P3=[Si+]P(#[Si]2)[Si-]=P=1[Si-]=3"]
["61240904","O=c1cccc2[nH]c(C(F)(F)F)ccc1-2"]
["161554991","O=S1(=O)BBC2(BBS(=O)(=O)OB2)BO1"]
["185565973","COC1=CS(=O)(=O)OC1(C)C"]
["74716400","[CH2]C1(N)CS(=O)(=O)C1"]
["68935521","COc1cccc2c1OC(C)(C(C)=O)O2"]
["61126945","C=CCC1(C)C(C)(C)C(C)(C)OS1(=O)=O"]
["60208403","CC1(C)C(O)=NS1(=O)=O"]
["97780918","COc1cccc(OC)c1C12ON1S(=O)(=O)c1ccccc12"]
["157796418","CO[C@H](C)[C@]1(C)OC(=O)N=C1O"]
["172829940","[Fe+].[N]C(=[N-])N1OS(=O)(=O)O1"]
["173860926","O=C1OC12OS(=O)(=O)O2"]
["100435934","CC1(C)BOC1(C)C"]
["179988162","CC1=NS(=O)(=O)C(C)(C)C(C)(C)O1"]
["173191390","Cc1nc(P)nc(NON=c2n[c][nH]c(C)n2)n1.[Tl]"]
["174792821","CC=Nc1c(C[C@H]2CCC(C)C2)nc(C)nc1NC1CCCCC1"]
["181092106","Cc1ccccc1Nc1ncc(C)c(NN=[N+]=[N-])n1"]
["26158952","COc1nc(C)nc(N(Cl)Cl)n1"]
["CSSS00014898393","Cc1nc(O)cc(NC2CCC2(C)C)n1"]
["68015064","Cc1nc(C)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(C)nc(C)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]"]
["168104155","COc1nc(NC(C)(C)C)nc(N(C)C)n1"]
["181680935","COc1nc(C)nc(NN=[N+]=[N-])n1"]
["MCULE-5203958750","COc1nc(C)nc(N=C(O)c2cccc(F)c2-c2ccc(N3CCOCC3)nc2)n1"]
["145142927","Cc1nc(NC#N)cc(NC(C)(C)C)n1"]
["52746346","Cc1nc(Cl)nc(Nc2cc(N=c3nc(Cl)nc(Cl)[nH]3)ccc2S(=O)(=O)O)n1"]
["16645913","Cc1nc(NC2CCCCC2)sc1C(O)=N[C@H]1CC[C@@H](C)CC1"]
["172910700","C[B+]Cn1cc2cc[c-]3[cH-]n(C[B+]C)[cH-]n3n-2[cH-]1.[Os+2]"]
["16592286","C=CCN(C[C@@H]1[NH+]=c2ccc(C)c(C)c2=[NH+]1)[C@@H]1CCS(=O)(=O)C1"]
["13203905","Cc1ccc(-n2ccn(CN(CC#N)C3CC3)c2=S)cc1C"]
["172910672","Cn1cc2ccc3cn(C)[cH-]n-3n-2[cH-]1.[Ir]"]
["CSSS00925263608","CN(Cc1ncon1)C(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)CC1"]
["91249511","CCc1ccn2c(C#N)pcc2c1"]
["170309382","CC(C)CN(CC#N)c1ccc(-c2nnco2)cc1"]
["17777636","CC(C)(C)C(=O)Cn1cc(-c2nnco2)ccc1=O"]
["MCULE-3828883740","COc1ccccc1N1CCN(C(=O)Cn2cc(-c3ccccc3)ccc2=O)CC1"]
["117385827","CCc1ccc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(c3ccc(C)c(C)c3)C2=O)cc1"]
["176297215","CCS(=O)c1cc(-n2ccc(C(F)(F)F)n2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1"]
["136378789","CCOCCN=C(O)c1cc(Br)nn1-c1ccc(C)cc1"]
["175184876","C[SeH](F)(F)(Br)O[SeH](C)(F)(F)Br"]
["79562057","C[C](C)COF"]
["84048690","CC(C)(C)[Si](N)(O[Si](F)(C(C)(C)C)C(C)(C)C)C(C)(C)C"]
["79200681","CCCC.COBr"]
["46852568","OP(O)OC(Br)C(Br)Br"]
["186653794","CNPN(C)F"]
["157168715","Cn1c(F)c(F)n(F)c1=[F+]"]
["49429087","CC(C)N(PBr)C(C)C"]
["175417383","CNc1cnc(OC(F)F)nc1"]
["195531141","CCBr.COCBr"]
["51720747","CC(C)(C)P(C)(Cl)(Br)C(C)(C)C"]
["84074133","CCOC(Br)CC(F)(F)Br"]
["178112962","C=S1C(Br)=C(Br)SC1=C1SC(Br)=C(Br)S1"]
["48671901","NC1c2c(Br)sc(Br)c2C(O)C1O"]
["107859092","C[C@@H](NC(CO)CO)c1ccc(Br)s1"]
["104818282","CC[C@@H](C)N[C@H](C)c1ccc(Br)s1"]
["25068315","C=C1[CH]SC(Br)=C1Br"]
["93141390","C#CC(C)NC(C)c1ccc(Br)s1"]
["97205968","BrCC1=C(CBr)SC(=C2SC(CBr)=C(CBr)S2)S1"]
["190799480","C=S1C=CC(C)=C1"]
["104818755","CC[C@H](CO)N[C@@H](C)c1ccc(Br)s1"]
["15610353","Brc1nnc(Br)s1"]
["97724121","BrC1=C(Br)SC(=C2[Se]C3=C(SCCS3)[Se]2)S1"]
["107928055","C[C@H](CCCO)N[C@@H](C)c1ccc(Br)s1"]
["175627487","[B+]=c1cc(N2[N-]c3cc(S)c(S)cc3[N-]2)[cH+]c(=[B+])[cH-]1"]
["189150130","Sc1cc(/N=N/c2cc(S)c(S)c(S)c2)cc(S)c1S"]
["66540628","[CH2+]CCc1ccc(O)c(N2[N-]c3ccccc3[N-]2)c1.[Rf]"]
["190026573","[B+]=C1C=CN(PI)[N-]1"]
["184223557","C[I+]c1cc(C)cc(N2[N-]c3ccc(C)cc3[N-]2)c1O"]
["157784543","N#Cc1cc(S)c(S)cc1C#N.N#Cc1cc(S)c(S)cc1C#N"]
["162730685","Fc1cc2c(CBr)ccc(S)c2s1"]
["176035666","[B+]=c1ccc2c(c1)[N-]N(C)C=2C"]
["173085757","[B+]=c1[cH-]c(=C)cc(O)c1=O"]
["174070526","[B+]=C1C=CN(C[C@H](C)O)[N-]1"]
["175018494","[B+]=c1cc2c([cH-]1)=CC(C)=C2"]
["171021836","N#Cc1cc(I)c(F)cc1S"]
["168165132","CC(C)(C)[N-]C1=C(C#N)C2=NC1=NC1=NC(=C(NC(C)(C)C)C1=C=[N-])N=C1N=C(NC3=NC(=N2)C(NC(C)(C)C)=C3C#N)C(NC(C)(C)C)=C1C#N.[Zn+2]"]
["147984539","CC(C)(C)c1nc(-c2nc[nH]n2)c2c(N)c(C#N)c(=N)nc-2[nH]1"]
["119471724","CC(C)(C)Nc1cc(Nc2cccc(C#N)c2)ncn1"]
["173832087","[B]C([B])([B+])C1([B])C([B])([B])C([B])([B])C([B])(NC2=NC(NC(C)(C)C)=NC(=[B])C2C(=N)O)C([B])([B])C1([B])[O-]"]
["157612103","CO[C@]1(C)C[C@@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1(C)C"]
["95063074","CSC(C)(C)CNC(C)c1cccc(C#N)c1"]
["145140571","CC(C)(C)Nc1cc(NCC#N)ncn1"]
["MCULE-4316145926","CC(C)(C)CC(C)(C)Nc1ncc2c(c1C#N)CCC2"]
["134592871","CC(N=C(O)NC(C)(C)C)c1ccc2c(c1)CC(O)=N2"]
["101284133","Cc1ccc(-c2[nH]c3c(C#N)c(C)nn3c2NC(C)(C)C)cc1"]
["MCULE-2162719084","CC(=O)c1ccc(C(=O)N=c2[nH]cc(-c3cccc(C#N)c3)nc2N2CCCC2)cc1"]
["5726299","CSc1nc2ccccc2c(NC(C)(C)C)c1C#N"]
["100889745","CC(C)[SiH]1[SiH](C(C)C)[Si]2(C(C)C)S#CS[Si]12C(C)C"]
["78377054","CO[Si](CBr)(C(C)C)C(C)C"]
["158016157","C/C(=C\\c1scnc1C)[C@@H](C)Br"]
["173535046","C[C]1C(C(C)C)=C=CC(C)=C1C.[Sn]"]
["144751925","CC(C)S(=O)(=O)CC1=NC(Br)=CS1(=O)=O"]
["175447873","CC[Si]1(Br)C[SiH](Br)C1.CC[Si]1(Cl)C[SiH](Cl)C1"]
["12823238","CC(C)N(C(=O)CBr)C(C)C"]
["114756669","Cc1cc(Br)c(N)cc1S(=O)(=O)N[C@H](C)c1ccccc1"]
["MCULE-9035779777","CC(C)c1cc(C(=O)CBr)cs1"]
["79213360","CC(C)O[SiH](OC(C)C)C(C)CBr"]
["84838466","COc1cc(C=C(CBr)C(C)C)cc(OC)c1OC"]
["162567796","COC(C)C(=O)N1CC2CC1CS2"]
["76065453","C1=N[N]SN=1.[c]1nnns1"]
["161934295","C1=CC=C=NSN=1"]
["25547216","C1=NC#SN=1"]
["179439226","C[C]1N=C=NS1.[Tl]"]
["25647478","N[C]1N=C=NS1"]
["26074199","c1n[c]sc#1"]
["43302205","Sc1nn[c]s1.Sc1nn[c]s1.[Sn]"]
["75603352","[C]1=NN=NNS1"]
["25621677","c1nnsc#1"]
["73506173","N#CC1=C=N[N]S1"]
["81830549","Cc1nsc(I)c1N"]
["174972087","Brc1n[c]sn1.[Al]"]
["180860519","C/C=C\\SC1=C(N)OCCC1"]
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["174138113","[CH2-][C@H]1CNCCO1.[K+]"]
["172826585","C[C-]1CCCCO1.[I-].[Zn+2]"]
["91146953","Br[Si](N1CCCCCC1)(N1CCCCCC1)N1CCCCCC1"]
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["156796843","Cc1ccc(CN=C(O)[C@H]2COCCN2)c(O[C@H]2CCOC2)c1"]
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["91917960","CC1(C)CCCN(c2cccc(Br)c2C(=O)O)C1"]
["96804083","O=[N+](O)c1c(Cl)c([N+](=O)O)c2nc(O)[n-]c2c1[N+](=O)O"]
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["24977926","O=C(O)c1c(O)c(O)c(C(=O)O)c2c1CC2"]
["185207847","Cc1cccc2c1c(=O)c(C(=O)O)cn2C"]
["73705755","C1=N[N]C2=C(OCCS2)C=1c1cc2c(nn1)OCCS2"]
["68752858","Cc1ccc(N2CC(c3noc(-c4cccc(F)c4)n3)CC2=O)c(Cl)c1"]
["165789336","OC(=NC1=NCCS1)C1=CCCO1"]
["190093365","Cc1cnc(Nc2ncc3c(n2)OCC3)nc1N(C)C"]
["76438651","Cc1noc(-c2cccc(C3C(C)NCC4C(=O)N(c5ccc(Cl)cc5)NC43)c2)n1"]
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["6413001","COc1ccc(N=C(O)C2=C(c3ccccc3)SCCO2)c(OC)c1"]
["173378138","CC1CCCN1CCOc1ccccc1.Oc1ccc2c(c1)SCCO2.Oc1ccccc1"]
["170792173","Cc1c([C@@H]([NH-])C(C)C)sc2c(NCC3=[C-]CCO3)cc(C3C[I+]3)nc12"]
["136684551","COc1ccccc1OCC(=O)N1CCOc2nc(C)ccc21"]
["23727061","COc1cc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc(OC)c1OC"]
["198529517","CNCC1OCC(c2cccc(C)c2)c2ccsc21"]
["48688139","C=C1CC2=NC3=NC(=NC4C=CC(=N4)N=C4CC(=C)C(N4)NC1=N2)C=C3"]
["69615509","C=c1ccc2c(c1)C1=C(CC3=C(C1)C(=O)N=C1C=CC=CC13)C(=O)N=2"]
["79242335","C1=CC2=NC3=NC(=NC4=NC(=NC5=NC(=NC1=N2)C=C5)C=C4)C=C3.Cl.[Pt]"]
["178824779","C=C1CN(C/C=C\\CC)[C@@H]2C1=C(C1NCN=C(C3=CC(C)CC=C3)N1)C=CC2CC"]
["174738454","C=C1N=C(O)C(C2=CC=C(C3C=CC=NC=C3)CC=C2)N1"]
["57884065","C1=CC2=NC3=NC(C=C3)[N-]c3ccc([n-]3)[N-]C3=NC(=NC1=N2)C=C3.[O].[Ti]"]
["179207298","Cc1nc(-c2nc[nH]n2)ccc1C1=CNC2=NCC(=O)[N+](=O)C2=N1"]
["178427458","CC1N=C(C2C=CC(C(C)(C)C)CC2)NC(c2ccccc2)N1"]
["46885332","C1=CC2=NC3CCC(=NC4CCC(C=c5ccc([nH]5)=CC1=N2)N4)N3"]
["173381875","CC1=CCCC(C2NC(C(C)(C)C)=NC2C2C=C3NC=CNC3=CC2)=N1"]
["68820656","C1=CC2=NC3=NC(=NC4=NC(=NC5=NC(=NC1=N2)C=C5)C=C4)C=C3.[Zn]"]
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["175953536","CI=c1cccc2[n-]c(C)ccc1-2"]
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["184574233","CI=c1ccc(I)c2[c-]1OCCC(C)C2"]
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["189881598","CC1=CC=C2C3=CC=C=C(c4nc5ccccc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)C3=S=C2[N-]1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCCC1.[Ir]"]
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["187032158","[2H]C([2H])([2H])C([2H])([2H])C(c1ccnc(C2=C=CC=C3C4=CC=C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[N-]C4=S=C23)c1)(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H].[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir]"]
["185987982","[2H]/C(C(=C)C([2H])([2H])[2H])=C(\\[2H])C(=[N-])c1[c-]ccc2c1oc1nc(C([2H])([2H])[2H])ccc12.[2H]c1ccnc(C(=C)[C-]=CC=C)c1[2H].[Ir+3]"]
["189879258","CC1=CC=C2C3=CC=C=C(c4nc5ccccc5n4-c4ccc5ccccc5c4)C3=S=C2[N-]1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)c1ccccc1.[Ir]"]
["97386016","C1=C[CH+]B(c2ccc(-[b-]3ccccc3)cc2)C=C1"]
["96618904","C1=C[CH+]C(=Pc2ccccc2)C=C1"]
["117277897","C/C=C/C=C/C(O)=NCCc1ccccc1O"]
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["161683298","C1=CB(c2ccccc2)C(c2ccccc2)(c2ccccc2)C=C1"]
["171930403","CN1B(c2ccccc2)N(c2nn[n-]n2)[CH-][N+](c2ccccc2)=[B-]1c1ccccc1.[Pt+2]"]
["49587313","CN(C)N(C)Cc1ccccc1"]
["100948068","C1=CC([PH]2(c3ccccc3)CCC[PH](c3ccccc3)(c3ccccc3)[P-]2)=C[CH+][CH+]1"]
["6915238","OC(=NCC1CC1)Nc1cccc(Cl)c1Cl"]
["78197757","C/C=C/NCCCN=C(O)Nc1c(C)cccc1C"]
["49326941","[B+]=P1=NCP(=N)=BCP(B=N)CP(B=N)CP(B=N)CP(B=N)CP(B=N)CP(B=N)C2(OC)CCC(CO2)ON([B+]P)C1"]
["173677719","C=S1N=C(O)c2ccc3c(c2)N(CC2CCC2[C@](C=O)(OC)/C=C/CC(C)C1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]
["32830449","COCOc1cc2c(cc1C)OC(C)(C)[C@@H](O)CC[C@H]2C"]
["174035174","COC1(C=O)/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)N=C(O)c2ccc3c(c2)N(CCCCc2cc(Cl)ccc2CO3)C[C@@H]2CCC21"]
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["77640939","COc1cc(C2C3CN(C)CC=C3C(C#N)C(=N)C2(C#N)C#N)cc(OC)c1OC"]
["42730982","COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)C(=N)C2(C#N)C#N)cc(OC)c1OC"]
["16474533","CC(=O)[NH+]1CCCN([C@H]2COC3(CC[NH2+]CC3)C2)CC1"]
["169130061","COCn1ncc(Br)c1C12CCCC1O2"]
["200169107","COC1CN(C2COC3(CCN(S(=O)(=O)c4cc(C5CC5)nn4C)CC3)C2)C1"]
["170018468","COC1(CN=[N+]=[N-])/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)N=C(O)c2ccc3c(c2)N(CCCCc2cc(Cl)ccc2CO3)C[C@@H]2CC[C@H]21"]
["151503065","CO[C@H]1CCN(CC(O)=Nc2nc(-c3ccc(F)cc3)cs2)C[C@@]12CCCO2"]
["185799847","[O-]C1=CC=PPOOOOOC=CC=C1"]
["183278163","[N-]=[N+]=NS(=O)(=O)C1=COOC=C1"]
["149640611","CC(C)CC1=COC=CC=C1"]
["24940274","C1=COc2ccccc2C=C1"]
["25388862","O=C1POOC=C1Cl"]
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["185008529","N=C(O)C1=CC=CC(=C2C=CC=CO2)O1"]
["182309813","[N-]=[N+]=Nc1cccc(C2=COOC=C2)c1C1=CC=CC(=O)C1"]
["184393571","[B+]=C1C=CC=CC1=S(C)[O-]"]
["161669265","N=C(O)C1=CC=COC1=C1C=CC=CO1"]
["183170604","[N-]=[N+]=NCC1=COC=CC=C1"]
["74207203","OC1=CC=COOCC=CC=CC(O)=C1O"]
["173821377","[B]CCN=C(O)OCC(COCI)OC(O)=NCC[B]"]
["MCULE-9262123188","O=c1cnc(C2CC2CCN=C(O)OCc2ccccc2)c[nH]1"]
["65843167","COCCC(COC)COCCCN=C(O)CCCC(O)=NCCCC(C)=O"]
["175432714","C[C@@H](COC(O)=NC(C)(C)C)OC(F)F"]
["86581561","CCCN(C(O)=NCC(CC)CC(=O)O)C1CC1"]
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["149853859","O=C(O)OC(COP(=O)(O)O)COP(=O)(O)O"]
["79698092","CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(O)=NCCCN(C)C"]
["44988170","CCOC(O)=NCCOC1CCCC1"]
["63756474","CCOC(O)=NCCC1CCC(C)CC1"]
["194459755","C1=C2C=C3CSCc4cc(cc(c4)CSC2)CSC=C1C3.c1c2cc3cc1CSSCc1cc(cc(c1)CSSC3)CSSC2"]
["25018155","Oc1cccc2c1C1=CSCC1=C2"]
["20271883","OC(=NC1=NCCS1)c1ccc2c(O)nc(S)nc2c1"]
["67309326","CC1=CSCC(=O)C1"]
["88164992","O=C(O)c1c(O)cc2n1CCSC2"]
["96574444","c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2ccc(cc2)-c2c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c2-c2cc4cc(c2)CSCc2cc(cc-3c2)CSC4)cc1"]
["84154266","c1cc2ccc1CCc1cc3cc(c1)CCc1ccc(cc1)CCc1cc4cc(c1)CSCc1cc(cc(c1)CSCc1cc(cc(c1)CSC4)CC2)CCc1ccc(cc1)CC3"]
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["82096400","Nc1cccc(C2=NN=C(O)C3CSCN23)c1"]
["34457542","Cc1cc2cc(C)c1CSCc1cccc(c1)CSC2"]
["189974790","NC1=CSCC(N)=C1"]
["96902802","O=[N+](O)c1cc2cc(c1)CSCc1cc(Br)c(cc1Br)CSC2"]
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["78690953","C=CC(F)CCC(C)(F)F"]
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["49997017","CC(CN)CC(C)(O)CCN"]
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["120129044","CC(C)CC(C)(CN)N1CCSC(C)(C)CC1"]
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["115198036","CC(C)CNCc1c(F)cccc1N(C)C(C)C(C)(C)C"]
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["91907091","CC1CC(O)(c2c[nH]c(=N)s2)CN1C1CC1"]
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["177158516","[CH-]=CC1=C=c2sccc2=C(C2=C=CC(C(C)(C)C)[C-]=C2)[N-]1.[Ir].[Y]"]
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["28678365","Cc1cccc(F)c1CN1CCC(C)C(C)(N=C(O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1"]
["82238931","CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@](C)(F)[C@@H]1O)Oc1cc2nsnc2cc1F"]
["173669081","Cc1cc(=NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)[nH]o1"]
["166381520","Fc1cccc(Cl)c1CN1CCC(F)(F)C(CCc2ccccc2)C1"]
["194549346","[O-]N([O-])C1=C=C2C(Nc3ccc(SC4CCCCCCC4)cc3)=NC=N[C+]2C=C1.[Y]"]
["91887407","N#Cc1ccc(NC2CCCCCCC2)cc1F"]
["28531311","c1ccc(Nc2ccc(SC3CN4CCC3CC4)cc2)cc1"]
["85163125","CCNC1(C#N)CCC(Sc2ccc(F)c(F)c2)C1"]
["19027269","Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)[nH+]c(C)n3)cc2)c1"]
["134861326","OC(=NCc1cccc(-n2cncn2)c1)Nc1ccc(SC2CCCC2)cc1"]
["31798111","COC(=O)c1ccc(-n2ncc(C(O)=NC3CCCCC3)c2SC2CCCC2)cc1"]
["108892319","N#Cc1c(-c2ccc(SC3CCCC3)cc2)c[nH]c1N"]
["69918542","[O-][S+](O)(Nc1ccc(C2CCNCC2)cc1)=C1C=CC(=NCc2ccc(Cl)cc2O)C=C1"]
["116076944","O=C(NC1CCCCCC1)c1ccc(NCc2ccccn2)cn1"]
["77381522","CC(C)(C)OC(O)=NC1CCCCCCCC2CC2(C(O)=NS(=O)(=O)C2CC2)N=C(O)C2CC(Oc3cc(N4CCCC4)nc(Nc4ccc(F)cc4)n3)CN2C1=O"]
["115217869","CCNCc1cccc(Cl)c1N(CCO)C1CCCCC1"]
["195162076","NSc1ccc(N=C(/C=C(\\N)C(F)(F)CCCCCN(CC[S-])CC[N-]CC[S-])c2ccc(F)cc2)cc1.O.[Re]"]
["175033108","Cc1ccc(N=C(Sc2ccccc2)C(C)Sc2ccc(F)cc2)cc1"]
["MCULE-5815252780","CCCCCCCCCCN=C(O)C(C)(C)N=C(O)C=Cc1ccc(F)cc1"]
["MCULE-8762723659","CCCCN(CC)CCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1"]
["MCULE-9354506420","CCOc1ccc(C)cc1-c1cc(N=C(O)c2cn(C)nc2C(F)F)cnc1C"]
["MCULE-3677044054","CCc1ccc(C(C)=CC(O)=NCC(O)=Nc2ccc(F)c(Cl)c2)cc1"]
["154775292","COc1ccc(C(=O)c2ccc(F)cc2)c2c(O)ccc(C(=O)c3ccc(F)cc3)c12"]
["69217521","CCCCn1c(N)c(N(CCC(C)C)C(=O)C=Cc2ccc(F)cc2)c(O)nc1=O"]
["173086894","Fc1ccc(SC(CC(=NSc2ccccc2)OCC2CCOC2)Sc2ccc(F)cc2)cc1"]
["122585030","O=C(CCC(O)=Nc1cccc2cnccc12)c1ccc(F)cc1"]
["13583983","CCn1nc(C)c2nc(SCC(O)=Nc3ccccc3)n(Cc3ccc(F)cc3)c(=O)c21"]
["MCULE-7229052248","CCCCCCN(CCCC)CCC(=O)c1cccc(N=C(O)C(F)(F)F)c1"]
["175697180","CCSc1c(SN2Sc3c(n(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=S)n3CCCF)S2)n(CCC(F)(F)C(F)(F)C(F)(F)CF)c(=S)n1CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.FCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.FCC(F)(F)F"]
["32091661","O=C(O)CC[C@@H](N=C(O)OCc1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)C(=O)O"]
["30702979","Cc1cn(C2CC(O)[C@@H](CO)O2)c(=O)n(CCC[18F])c1=O"]
["150400662","C=C(CCCN(C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O"]
["795046","O=c1nc(O)c(-c2cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn2)cn1[C@H]1C[C@H](O)[C@@H](CO)O1"]
["172844172","CN(CCCC(F)C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["195219263","CC(CNCCC[N+](C)(C)CC(=O)O)C(=O)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["175697154","CCSc1c(SN2Sc3c(n(CCC(F)(F)F)c(=S)n3CCCF)S2)n(CCC(F)(F)F)c(=S)n1CCC(F)(F)F"]
["9560520","CCn1c2c(n(CC)c1=S)-c1c(n(CC)c(=S)n1CC)SSSS2"]
["33483006","CC(C)(C)OC(O)=N[C@H](CN=[N+]=[N-])Cc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1"]
["73981652","CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2)CC1"]
["25260029","C=C1C=C[C](OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF)C=C1"]
["99702308","O.O.O=S(=O)([O-])c1ccc2nn3[n-][n+](=C4C=CC(N=C([O-])N=c5ccc(-[n+]6nn7nc8ccc(S(=O)(=O)O)c9c8c7c6=[C+]C9)c(S(=O)(=O)O)[cH-]5)=CC4=S(=O)(O)O)c4c3c2c1CC=4"]
["172900081","CCN=C(O)C1(C(=O)O)CC(=CC=c2c3cccc4c(S(=O)(=O)O)cc(S(=O)(=O)[O-])c(c43)n2CC)C=C(C=CC2=[N+](CC)c3ccc(S(=O)(=O)O)c4cccc2c34)C1"]
["179370572","C=C/C=C(/NC(=NC(C)=NC#N)N1CCOCC1)Nc1ccc(/C=C/c2ccc(N=c3[nH]c(N4CCOCC4)nc(=NC#N)[nH]3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1"]
["194112718","CCn1c(=CC=C2C(Sc3ccc(CC(=O)O)cc3)=C(C=CC3=[N+](CC)c4ccc(S(=O)(=O)O)c5cccc3c45)C3CCC2C3)c2cccc3c(S(=O)(=O)O)cc(S(=O)(=O)[O-])c1c32.O=S(=O)=O"]
["195661934","CC1(Cl)CC=C(N=Nc2cc(OCCCS(=O)(=O)O)c(N=c3[nH]c(=NCC4CCCO4)[nH]c(=Nc4cc(Cl)c(N=Nc5ccc(Cl)c(S(=O)(=O)O)c5)cc4OCCCS(=O)(=O)O)[nH]3)cc2Cl)C=C1S(=O)(=O)O"]
["13758465","Cc1ccc(-n2nc(C([O-])=NS(C)(=O)=O)c3c2CCC3)cc1"]
["MCULE-1372088898","CC1CCc2c(sc(N=C(O)CN3CCN(S(=O)(=O)c4ccc5nc(O)oc5c4)CC3)c2C(N)=O)C1"]
["196858982","CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=O)Nc2ccc(-c3nc(N=C(O)C4CC4)n(-c4ccc(OC(F)(F)C(F)(F)F)cc4)n3)cc2)[C@@H]1OC"]
["33040692","CC1(C)C(=CC=CC2=Nc3c(cc(C#Cc4ccc(N(CCCCCC(=O)O)S(C)(=O)=O)cc4)c[n+]3CC(O)=Nc3cc(S(=O)(=O)O)ccc3S(=O)(=O)O)C2(C)C)N=C2C1=CC(C#Cc1ccc(N(CCCS(=O)(=O)O)S(C)(=O)=O)cc1)=CN2CC(O)=Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O.[Na+].[Na+]"]
["52672682","CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(O)=Nc3scc(-c4ccc(C)o4)c3C(=O)OCC)CC2)cc1"]
["176143342","C[C@@H]1CN(c2cccc(-c3ccc4cnc(CC(O)=Nc5ccn(S(C)(=O)=O)c5)cc4n3)n2)C[C@H](C)O1"]
["189888362","CN=CN=C(N)c1ccc(C2=CCN(C(=O)CN3CC[C@]4(CCN(c5ccc(N)c(C(=N)C6=CC(C(C)C)[N+](=O)C=C6)n5)C4=O)C3)CC2)cc1"]
["75961651","O=C1C=CC2C(C1)NC13Nc4ccccc4[N+]21CC1C=CC2=C4C(=CC=C3C41)C1C=CC3=C4C(=CNC3)CC(=O)C2=C41"]
["16606877","COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2"]
["15528855","O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)c1ccccc1N2"]
["4466009","COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2cccnc2)cc1"]
["32848965","CC(C)[C@H](O)C(O)=N[C@H]1Cc2ccc3c(c2)C24c5cccc(c5OC2O3)-c2cccc3c2C(c2oc(nc2Cl)-c2nc(oc24)[C@H](C(C)C)N=C1O)C(Cl)N3"]
["155866452","C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(N=C(O)[C@@H](C)Cl)c(Cl)cc12"]
["147954335","O=C(O)C1=C2CCCC(/C=C3/C=CC(=O)C(Br)=C3)=C2Nc2ccccc21"]
["55628570","O=C1C=C(N=C(O)C23CC4CC(CC(C4)C2)C3)C=C/C1=C1\\Nc2ccc(C(O)=Nc3ccccn3)cc2N1"]
["6888104","CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1"]
["17541052","COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2ccc(F)cc2)cc1"]
["172872335","CC(C)(CCC(O)=NCCCC(O)=Nc1cccc2c1C(=O)N(C1CCC(O)=NC1=O)C2=O)NC(O)=N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(O)=N[C@H](C=O)C[C@@H]1CCN=C1O)C2(C)C)C(C)(C)C"]
["173320286","C[N+]1(C2CCN(C=O)CC2)C(=O)Nc2ccccc21"]
["98217899","OC1=NCC(O)(c2c(O)c(O)c(OC(O)(O)O)c(OC3(O)CCCC3)c2O)C1(O)O"]
["74393182","CC1C=C2NC(O)=NCC2=CC1"]
["175029267","CC1(C)CN=C(O)C(C)(C)C1.CO"]
["32502198","OC1=NC2(O)CCCC2C12CCCC2"]
["183886069","Cc1ccccc1C1(F)CN=C(O)C12CCCNC2"]
["130254506","COC(=O)C1(N(C)C(=O)c2ccc(OC(C)(C)C)cc2)CCCC1"]
["70597640","O=C1C[C@@H](C(=O)O)C[C@]2(CN=C2O)O1"]
["136696178","O=C1N(CCC(O)=Nc2n[nH]c3cccc(F)c23)C(O)=NC12CCCC2"]
["MCULE-4683690210","Cc1ccc(OC2(C(=O)N(C)c3ccccc3)CCCCC2)cc1"]
["189174608","Cc1ccccc1C1c2ccccc2C(C)C(C(=O)O)C1C(=O)OC1(C)CCCC1"]
["169793902","O=C(OC1(O)CCCC1)c1ccc(C(=O)OC2(O)CCCC2)cc1"]
["28621595","COc1ccc(-c2cccc3c2CN=C3O)c(OC2(C(=O)O)CC2)c1OC"]
["76703645","Br.[O-][NH+](O)c1ccc(C=c2sc3scc(-c4ccc([NH+]([O-])O)cc4)[n+]3c2=Cc2ccc([NH+]([O-])O)cc2)cc1"]
["167264241","c1ccc(-c2csc3c4ccccc4nn[n+]23)cc1"]
["57791828","COc1ccc(C=c2sc3n(c2=O)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1"]
["150950956","COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\\c4ccc(C(C)(C)C)cc4)c(=O)n31)c1ccccc1CC2"]
["76702292","Br.[O-][C+](Cc1csc2[n+]1C(=[OH+])C(=Cc1cccc([NH+]([O-])O)c1)S2)[N-]c1ccccc1"]
["81096348","OC(C=Cc1ccc(Cl)cc1)=NC(S)=Nc1cc(C(F)(F)F)ccc1Cl"]
["33563826","COc1ccc(/C=c2\\sc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)n3c2=O)cc1"]
["151088088","COc1ccc(/C=c2\\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1I"]
["7934906","COc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)c(OC)c2)C=3C#N)cc1OC"]
["108828044","O=c1/c(=C\\c2ccc(/C=c3\\sc4n(c3=O)[C@H](c3ccccc3)C(c3ccccc3)=NN=4)cc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2"]
["76427014","COc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2)c1=O"]
["152240954","CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1"]
["190883966","CC(=O)[NH+]1CCc2c1ccc1c2=CC(=C(O)N2CCc3c2ccc2c3=CC(=[C][O-])B=2)[NH+]=1.CN(C)C.[Y]"]
["141563446","CC(O)=Nc1cccc2c1CCN(C(=O)c1nccnc1N)C2"]
["MCULE-3532345671","CCOC(=O)CN(C)C(=O)C(CCSC)N=C(O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1"]
["158669550","CC(=O)N1CCc2cc(NC(=O)N(C)[C@@H](C)C3CCN(C)CC3)ccc21"]
["MCULE-3774149549","CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(-c4nc(-c5ccc(F)cc5)cs4)cc3)ccc21"]
["133789313","Cc1occc1C(O)=Nc1nc(CC(=O)N2CCc3c(F)cccc32)cs1"]
["21257076","CN(CCC(F)(F)F)CC(=O)N1CC(O)=[NH+]c2ccccc21"]
["121657814","CCc1oc2ccccc2c1C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21"]
["MCULE-1353715505","CC(=O)N1CCc2cc(C(=O)NCCc3nc(C)c(C(=O)O)s3)ccc21"]
["142356400","CCN(CC)Cc1cccc(CN=C(O)Nc2ccc3c(c2)CCN3C(C)=O)c1"]
["14799045","CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CCC(=O)c2ccccc2)s1"]
["105835256","COC(=O)c1cccc2c1CCCN2C(=O)c1csc(-c2ccccc2)n1"]
["170598806","CC1=C(C)C2P=C1C(=O)c1c(C)c(C)c([Si](C)(C)C(C)(C)C)p1C(=O)C1P=C(C(=O)p3c(c(C)c(C)c3[Si](C)(C)C(C)(C)C)C2=O)C(C)=C1C"]
["91646427","Cc1ccc2c(c1[Si](C)(C)C(C)(C)C)COC2=O"]
["110683566","Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)c1"]
["153697721","COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1/N=N/[C@@H]1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C"]
["126397273","Cc1nc(C(C)(C)C)nc(O)c1C(O)=NC1CCCN(c2ccn(C)n2)C1=O"]
["96672343","CC1=CC(=O)[C@H]2[C@@H]3CCCCC3=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C)C1=O"]
["80243108","CC1=NC(=O)C2C(=N1)OC(C)=C2C"]
["MCULE-3905560446","Cc1ccc(S(=O)(=O)Nc2ccc(C3CN(C(C)(C)C)C(=O)O3)cc2)s1"]
["45317028","Cc1cc(C)c(C(N)=O)c(NC2CCCCC2CN)n1"]
["45330320","Cc1oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c1C"]
["99823396","CC1=Nc2ccc(OC3CCC(C(C)(C)C)CC3)c(C(F)(F)F)c2CC1=O"]
["MCULE-4582267887","Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C2CN(C(C)(C)C)C(=O)O2)cc1"]
["177452462","O=c1ccc2[n+]([O-])c3ccc([OH2+])cc3oc-2c1"]
["60201492","CN(CCC[NH+]=c1cc(O)oc2ccccc12)C(=O)c1ccccc1"]
["161892538","CC(=O)c1ccoc1-c1cc(=O)c2ccccc2o1"]
["73798857","CNc1cc2o[n+]([O-])c(NC)c2o1"]
["151085000","[O-][n+]1cccc2oc3ccc[n+](O)c3c21"]
["181470366","O=C[C+](CCN=C(O)c1ccc(-c2cc3ccccc3o2)cc1)C(=O)[O-]"]
["42054244","O=c1occ(-c2cccc(O)c2)o1"]
["27111274","CC1CN(c2ccc3c(-c4ccccc4C(=O)O)c4ccc(=O)cc-4oc3c2)C1=O"]
["44794999","O=P(O)(O)C1CCOc2cc(SCl)ccc21"]
["79112148","O=c1cc(-c2ccccc2)oc2ccccc12.[Pb]"]
["186541835","NCCC(O)=NC(CCCCN=C(O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(O)=NCCC(O)(P(=O)(O)O)P(=O)(O)O"]
["195254099","C=CCOc1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=O)cc-3oc2c1"]
["33118240","Fc1ccc(C23C4=C5C6(c7ccc(F)cc7)c7c2c2c8c3c3c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c(c6c6c7c7c2c2c%19c8c9c8c9c%10c%13c%10c%13c%14c%17c%14c%17c%18c6c6c7c2c2c(c%198)c(c9%10)c(c%13%14)c2c6%17)C%16(c2ccc(F)cc2)C5(Cl)C(C4C3%11c2ccc(F)cc2)C%12%15c2ccc(F)cc2)cc1"]
["9571245","OC(=NCC1(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1"]
["34202145","CC(C)CCSc1ncnn1CC1(c2ccc(F)cc2)OC1c1ccccc1Cl"]
["11717083","O=C(CCS(=O)(=O)c1ccc(F)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1"]
["120508130","COCC1(c2ccc(F)cc2)CC(CN)C1"]
["16044546","OC(CN1CCO[C@H](c2cccc(F)c2)C1)=NCC1(c2ccc(F)cc2)CC1"]
["93250522","COCc1c(CNC2CC2)sc2ccc(F)cc12"]
["13030813","Cc1cc(C)n2nc(CC(O)=NC3(c4ccc(F)cc4)CCC3)nc2n1"]
["158973654","C1CCNC1.O=C(O)C1(c2ccc(F)cc2)CC=CN=C1O"]
["1846230","CCc1ccccc1OC(=O)CN1C(=O)[C@](C)(c2ccc(F)cc2)N=C1O"]
["197753300","O=Cc1nc(-c2ccc(F)cc2)c(I)n1C[C@@H]1CCO1"]
["65592531","O=S(=O)(NCCC(O)=NCC1(c2ccc(F)cc2)CCOCC1)c1ccc2c(c1)CCCC2"]
["178365225","O=C(O)C1C2OC3C(OC(O)C31)C2Br"]
["179715958","NCCN=C([O-])C1C(C(=O)O)[C@H]2CC[C@@H]1O2"]
["153220555","O=C(O)[C@@H]1O[C@@H](Sc2ncnc3[nH]cnc23)[C@@H](O)[C@@H](O)[C@@H]1O"]
["153618177","CO[C@H]1[C@H]2[C@H](O)O[C@@H]1[C@]1(C)CC[C@@]3(C(=O)O)CCC(C(C)C)=C3[C@H]1C[C@H]2OC"]
["157282269","C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4O[C@@H]34)[C@@H]2C1=O"]
["55779810","O=C(O)[C@@H]1C2CC3C1[C@@H]3C2"]
["169732294","COC(=O)C1C2CCCC2C1C(=O)O"]
["15203242","COc1ccc(Cl)cc1N=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O"]
["113241758","CC(C)C(CCO)N=C(O)[C@@H]1CC[C@H](C(=O)O)O1"]
["120264581","O=C(O)[C@@H]1CCCN(C(=O)C2C3C4CCC(C4)C23)C1"]
["180753072","CC(=O)OC1(OC(C)=O)COC(C)C[C@@H]1O"]
["509679","O=C1CC[C@@H]2O[C@H](c3ccccc3)[C@@H](O)[C@@H]2O1"]
["175683492","C=[O+]c1ccc([C+]=C=NC2=NC(=[N-])C(C([O])=NC([N-])=[N-])=NC2=[Cl+])cc1"]
["74237396","C=C(Nc1cc2c(cc1O)C(F)(F)OC2(F)CC)c1ccncc1CC"]
["90557337","CCC1C(C)c2ccccc2N1C(=O)C([N+]#N)=C([O-])OC"]
["25914995","[C-]#[N+]C(=O)c1ccc(Cl)c(Cl)c1Cl"]
["179676240","C=C1C=NC=NC1c1ccc(N2C(CC(O)=NO)c3ccccc3S2(=O)=O)cc1"]
["82781035","C=CCC1=NC2=CC(=O)C=CC2C=C1"]
["MCULE-6863618248","Cc1nc(N=C(O)C2Cc3ccccc3N2C(=O)OCC2c3ccccc3-c3ccccc32)nc(C)c1-c1ccccn1"]
["200246460","CCCN(OCC)C(=O)C1=Cc2ccccc2N=CC1"]
["29227442","CCN(C(=O)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21)c1cc(C)on1"]
["91922489","CCC(C)(C#N)C(O)=NC(C)c1ccccc1F"]
["182169401","CCCCC1OCC(N=[N+]=[N-])C(c2ccccc2O)O1"]
["143561949","O=S1(=O)CCC(N=C(O)CCCc2ccc3c(c2)CC(O)=N3)c2ccccc21"]
["56204708","NP(N)(=O)Nc1nc(SP(N)(N)=O)n[nH]1"]
["164940863","COC1=CC(=CNNc2nc(SCC(O)=Nc3cc(OC)ccc3OC)n[nH]2)C(=O)C=C1"]
["12412347","COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)cc1"]
["165000440","CCc1nnc(CN=C(O)CSc2n[nH]c(N/N=C(/C)c3ccccn3)n2)o1"]
["134523738","Cc1nc(SCC(=O)N(C)C(C)C2(C)CC2)n[nH]1"]
["158807905","O=C(CSc1n[nH]c(O)n1)N1CCOCC1"]
["17812069","CN=C(O)N=C(O)CSc1n[nH]c(-c2ccccc2F)n1"]
["143362538","Cc1nc(SCC(=O)Nc2ccc(Br)c3ccccc23)n[nH]1"]
["3749307","COc1ccccc1N=C(O)CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1"]
["95770463","Cc1[nH]nc(C(=O)NC(C)C2CCC2)c1N"]
["83725491","OC(CSc1n[nH]c(NN=Cc2ccccc2)n1)=Nc1ccc(Cl)cc1F"]
["85045826","CCCc1nc(-c2ccc(C(F)(F)F)cc2N)n[nH]1"]
["175506863","CN1C(=O)C2=C(c3ccc(-c4ccc(C(C)(C)C(C)(C)c5[nH+]cc(C6=NC(O)=C7C(c8c[nH+]c(-c9ccc(C(C)(C)C)s9)s8)=NC(O)=C67)s5)s4)o3)N=C(O)C2=C1c1ccc(C(C)(C)C)o1"]
["68943525","CN1C(=O)/C(=C2/C[C@@H](c3ccccc3)NN2)C(O)=NC1=S"]
["189801063","COc1ccc([C@H]2N=C(O)CO[C@@H]2C(O)=NCc2cn3cccc(C)c3n2)cc1OC"]
["48431041","Cc1nc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(C(C)(C)C)cc2)sc1C"]
["109074127","COc1ccc([C@@H]2CC(=C3C(=O)N(C)C(=S)N=C3O)NN2C(C)=O)cc1OC"]
["122016529","Cc1ccc(-c2nc(C)c(C(=O)N3CCOC(C#N)C3)s2)o1"]
["198173529","CN1CC[C@H](Nc2cccc3c2cc(-c2ccc(CN=C(O)c4ccccc4)s2)n3CC(F)(F)F)[C@H](F)C1"]
["192469170","Cc1c2c(cn1C)-n1c(C)nnc1[C@H](CC(=O)C(C)(C)C)N=C2c1ccc(Cl)cc1.Cc1ccc(C2=N[C@@H](CC(=O)C(C)(C)C)c3onc(C)c3-c3cn(C)c(C)c32)cc1.Cc1noc2c1-c1cn(C)c(C)c1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)C(C)(C)C"]
["61216226","COc1ccc(COC(=O)C2=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)S[C@@H]3[C@@H](Br)C(=O)N23)cc1"]
["150965784","Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c2C)ccc1Br"]
["23974974","C=CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(O)=NC1=S"]
["22593687","C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2c[nH+]c(-c3cnn(C)c3)s2)C[C@@H](C)O1"]
["195523518","[N-]NPC(=O)[I+]N[O]"]
["78747222","C=CNC(=O)C(=O)OC1CC1"]
["172228248","COC(=O)C1C=CC2=C1OC(C)O2"]
["170056208","O=C(OPOC(=O)N(S)BNS)N(S)BNS"]
["13637106","N[C@H]1C([O-])=NC(=O)N=C1C(=O)O"]
["23090059","[NH]C(=O)NO"]
["185661356","C[C@H](NC(=O)[O-])C(=O)Cl"]
["65348930","COC(=O)C(F)(C(F)(F)F)C(F)(C(=O)OC)C(F)(F)F"]
["78156717","CNSSNC(=O)[O-].[Na+]"]
["22174284","O=C(NNO)C(=O)NNO"]
["172650354","C=CC(=O)C(=O)C(=C)Cl"]
["55776184","CC(=O)C(N=C(O)CN(CCC(=O)O)C1CC1)C(C)C"]
["75657256","C1=C=Cn2cncc2C=1"]
["92791382","CC(C)n1cncc1-c1nc(Cl)cc(C2CCCC2)n1"]
["50127713","Cc1cncn1CCCOC(C)C"]
["66836262","CCCCN(CCCC)C(CN)c1cncn1C"]
["179939573","C=Cn1c#cnc1"]
["73657830","S=c1n2cnn1C2"]
["54827262","COc1ncc(/C=C/C(=O)O)s1"]
["75053361","C1=C[N]N(C2CCCC2)C=1"]
["84845302","CCC(C=O)=Cc1cncn1C1CC1"]
["66599011","CCCn1cncc1C1C(CNC)CCCN1C"]
["162290690","Cc1cnn(CCn2ccnc2)c1"]
["44003764","CCCNCCCCc1cncn1CCC"]
["178907951","N=C1O[I+]2(OC1=O)OC(=O)[C-]([NH-])O2"]
["154883182","c1cc(OC2CCN(Cc3ccon3)CC2)c2ccn(C3CCCC3)c2c1"]
["99684083","CC1(C)C(/C=C2\\CCOC2=O)C1C(=O)O.Cl"]
["179916722","CCC1=CC(=O)OC1=N"]
["179974629","N=C1OC(=O)c2coc(O)c21"]
["180681909","N=C1[B]C(=O)O1"]
["178538126","Cc1ccc(C2C(c3ccc(=O)n(C(C)C)c3)=CNC(=N)C2I)o1"]
["91441660","CC(=O)C1=C(C=C(C)C)COC1=O"]
["180952414","N=C(N)CC1=CC(=O)OC1=N"]
["180714261","Cn1c(=N)oc(=O)c2ccccc21"]
["185802787","N=C1Oc2cccc(O)c2C(=O)C1=N"]
["180556250","C=CC(=O)O[C-]1CC(C)OC1=O.[Rh]"]
["150164242","C1=C2C3=CCC4=C2C=C2C5=C1C16C3C3CC7C5C2CC(C41)C736"]
["74084168","CSSCC[C@]12CC3OCCOC3CC1=CC[C@@H]1C2=CC[C@]2(C)C3OCCOC3C[C@@H]12"]
["100394675","CC(=O)C1=CNC2C(CN3CN[C@@H](CC4=CCC(O)CC4)C3O)=CCC[C@H]12"]
["MCULE-7893611923","OCCC1CC1c1cc(F)c(CO)c(F)c1"]
["69588423","O=C1OC(CSC2=NCCS2)CN1c1cc(F)c(N2CCNOCC2)c(F)c1"]
["82415376","CC12CCC(CC3CCC4C5=C3CC=C3C=CCCC3N5C3=CC=NCC34)(CC1)CC2"]
["101162083","CC1=CC[C@H]2C[C@@H]1[C@H](C1CCCCC1)CC2(C)C"]
["179216959","CCCC1CC2C1C1CC3CC=C3C12CC"]
["109575441","CCC[C@@H]1[C@@H]2C[C@@H](CC)CC=C2C(C#N)=C(N)C1(C#N)C#N"]
["190661659","CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CCC12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C.CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CCC12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C.CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](OC5CC(CO)C(O)C(O)C5O)CC[C@@]43C)[C@@H]2CCC12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C"]
["96589751","CC[C@@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)CC(OC)=CC4"]
["66744632","C1=CC2=CCC3=C4C(CCC3CC35CC6CC(CC(C6)C3)C5)C3=CNCC=C3N4C2CC1"]
["161703736","[B+]=[B-](B1CC2OB1O2)C([B-](=[B+])B1CC2OB1O2)[B-](=[B+])B1CC2OB1O2"]
["82396568","CC(C)CC(N)B1OC(CC2CCC2(C)C)C(C)(C)O1"]
["84135072","CC(C)B1OC(C(C)C)C(C(C)C)O1"]
["32302198","COCC1=C(COC)C(C)OC1"]
["161309800","CC(C)C1C(Cl)CNN1C(C)C"]
["44320824","CC(C)C1=NOC(O)C1"]
["173665845","[B+]=[B-](C(C)C)C1CCC1[B-](=[B+])C(C)(C)C"]
["174371484","CC(O)C(Cl)C1CO1"]
["185470351","COB1OCC(C)O1"]
["177945328","CC1(C)OB2OC1(C)CC(/C=C(\\F)c1ccc(C#N)cn1)C1(C)OB2OC1(C)C"]
["175801464","N=NC(N)C1COCCN1"]
["79089697","B1COON1"]
["185795197","ClC(Br)CC(Cl)(Cl)CC(Cl)C(Cl)C(Cl)(Cl)C(Cl)C(Cl)(Cl)C(Cl)(Cl)C=CBr"]
["26365567","CC(C)CC(Cl)(Cl)CC(C)C"]
["91652410","ClC(Cl)(Cl)CC(Br)B1N(c2ccccc2)B(C(Br)CC(Cl)(Cl)Cl)N(c2ccccc2)B(C(Br)CC(Cl)(Cl)Cl)N1c1ccccc1"]
["67443892","CC(Cl)CC(C)CC(Cl)(Cl)CC(C)Cl"]
["120056125","Cc1cc(F)cc(C)c1C(Cl)CC(C)CC(C)(C)C"]
["64238878","C=CCC(Cl)C(C)Br"]
["114050988","CCOCCS(=O)(=O)NCC(Cl)CC(C)(C)C"]
["114051033","CC(C)(C)CC(Cl)CNS(=O)(=O)c1ccc(Br)cc1"]
["114051049","COCCCS(=O)(=O)NCC(Cl)CC(C)(C)C"]
["42380696","C=CCCCC(=C=C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C(C)C"]
["182264762","FC(C(F)(F)C(F)(F)C=CBr)C(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(Cl)C(Cl)(Cl)Br"]
["79923039","O=COCCCCCC(Cl)C(Cl)Cl"]
["99906430","CC[NH2+][PH]1=NP(F)(F)=NP=N1"]
["51708023","CCCC(CC(O)=NC(C)(C)C(=O)O)n1ccnc1"]
["196403407","CC.CC/C=C(\\CC(F)F)c1cc(O)cnc1N"]
["67213417","CCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1"]
["98878294","CNC(C)(C)NC(C)(C)C(C)(C)C(C)(C)CC(C)(C)N"]
["64082762","CC(C)(O)CN1CCN(Cc2csc(C(C)(C)C)n2)CC1"]
["100396176","CNNP1(F)=NP(F)(F)=NP(F)(F)=N1"]
["190873234","CCN(C)P1(F)=NP(F)(F)=NP(F)(F)=N1.CN(C)P1(F)=NP(F)(F)=NP(F)(F)=N1"]
["105674485","CC[C@H](CNC)n1ccnc1"]
["99906447","CCN(CC)P1(F)=NP(F)(OC)=NP(F)(F)=N1"]
["100396185","CNP1(F)=NP(F)(F)=NP(F)(NC)=N1"]
["63858184","CCC[N+](CCC)(CCC)C(O)CCl"]
["75214412","C[S+]([O])(=O)N=c1[cH+]c(=O)ccc1=O"]
["162056271","CN=C(O)c1cc(=O)c(OC)c[nH]1"]
["53555860","O=C1CC=CC=C1C(Cl)c1ccccn1"]
["53919888","C[S+]=c1ccn(O)cc1"]
["98319689","COC(=O)CN=C1C(=O)N(C(C)(C)C)S(O)(O)C1c1ccccc1"]
["181893584","Cc1cc(C(N=[N+]=[N-])c2ccc(N3C(=O)C=CC3=O)c(C)c2)ccc1N1C(=O)C=CC1=O"]
["190637709","Cc1cc(=O)c2ccccc2[nH]1.O=C=O"]
["20422265","COc1c[nH]c(C([O-])=Nc2ccc(C(=[NH2+])[O-])cc2)cc1=O"]
["135660816","CCC(C#N)NS(=O)(=O)Cc1ccccc1C(F)(F)F"]
["107653412","C[C@H](N)C(=O)c1coc2ccc(O)cc12"]
["86103135","CC(C)(C)c1ccccc1N=C(O)C1(C(=N)S)CC1"]
["163575004","CC(N=C(O)OC(C)(C)C)c1nnc([S+](C)(=O)[O-])o1"]
["176637887","CC(C)=C(c1ncccc1C(O)(O)Oc1ccc2ncoc2c1C=O)N(N)C(C)C.CC(C)c1nccn1-c1ncccc1C(O)(O)Oc1cccc(O)c1C=O"]
["172962122","CC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)C4=CC(C)(Br)CN(c5ccccn5)C4=O)cc3)c3c(N)ncnn23)CC1"]
["16670524","CCCN(C(=O)Cc1ccccc1)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1"]
["183214750","[N-]=[N+]=NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F"]
["62567696","CN(C(=O)/C=C/c1cccnc1)c1ccccc1C(=O)O"]
["148777746","OC(=NNc1ccccn1)c1nc2c(N3CCOCC3)nccn2c1-c1ccc2nc(O)[nH]c2c1"]
["159624546","Cc1nccn1CCC(=O)N1CCOC(c2cc(CCOc3ccccc3Cl)[nH]n2)C1"]
["59511077","COc1ccccc1N=C(O)C(C)Sc1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3"]
["115100440","COc1cc(Cl)ccc1C(=O)c1ncccc1OC"]
["77089107","CC1=C(Cl)C(C)=C([N+](=O)[O-])C(=O)C1=CNc1ncccc1O"]
["169835942","CC(C)CCOC(=O)CN(CC(=O)c1ccccc1)c1ccccc1O"]
["MCULE-4558924085","CCOc1ccc(C)cc1-c1cnc2c(c1)CCN2C(=O)c1ncccc1C"]
["173691757","C=C(C)CI(I)CI(I)CC#CC(C)=CI(I)CI(I)CI(I)CI(I)CI(I)CI(I)CCC"]
["76813581","CCOP(OCC)OCC(C)=CBr"]
["84086629","C=C(C)C#CCC(C)(O)CC"]
["174353792","C/C=C/C.C=C(C)Cc1nn(C)c2nc(N(CCC)CCC)n(C)c(=O)c12"]
["180599723","C=C(C#CCOCC)C=NC"]
["33056875","C=CCCCC#CC(=C)C"]
["25647968","C=CCC#CC(C)=CCC=C(C)C"]
["79565530","C=C(C)COC(CC)N=C=O"]
["186275480","C=C(C)COCC#CCOC/C(C)=C/C"]
["96623982","C=C(C#CCCCC)C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]
["102936386","C=C(O)C#CCCCC"]
["101355084","C=C(C)CO[Si](CCC)(OCCC)OCCC"]
["73577302","[CH]1C=c2cc3c(cc2[N-]1)=CCC[OH+]3"]
["173078048","CC.Cc1ccc2c(c1)=CCCC=2"]
["174943510","CC(C)c1cc2c(cn1)=CCCC=2"]
["78386999","BC1=CCNC1"]
["179759649","SCc1ccc2c(c1)OCC[OH+]2"]
["178178519","CNCNc1cc2c(s1)=CCCC=2"]
["174696935","C=C1C=Cc2cc3c(cc2[N-]1)CC(c1cccnc1N=CO)C3.[Rb+]"]
["179191252","[Al+].c1c2c(cc3c1[N-][N-]O3)CI=N2"]
["44819564","CC1(C(=N)[O-])C=c2cc3c(cc2C1)=CC=C(CCl)[N-]3.[Y]"]
["98616104","Cc1ccc(C)c2cc3c(cc12)=CCCC=3"]
["176280276","CCn1c(C)cc2c1=CCCC=2"]
["176864347","C=Cc1ccc2cc3c(cc2c1)=CCCC=3"]
["76463959","CC1=C2C=C3N=C(C=c4[nH]c(c(C)c4C(O)O)=CC4=NC(=CC(=N2)C1=C([O-])[O-])C(C)=C4C)C(C(O)O)C3C.[Ru+2]"]
["168177543","CCC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c(c(=CO)c3CCC(=O)O)=CC3=NC(=C2)C([C@@H](O)CC/C=C(\\C)CCCC(C)CCC=C(C)C)=C3C)C(CCC(=O)O)=C1C"]
["188171313","Cc1nc2c3c(c(Br)cc2c(=N[C@H](C)c2cccc(C(F)(F)CO)c2F)[nH]1)OCCN3"]
["176173745","Cc1c(-c2[nH]c3sc(N4CCN([C@@H](O)C(C)C)CC4C)nc3c2C(C)C)cn2ncnc2c1C"]
["168152336","CCCCCC/C(O)=C/C=c1\\c(C)c2[nH]c1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C(C(O)C(F)(F)F)=C4C)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C1C"]
["168478626","C=CC1=C(C)C2=CC3=NC(=CC4=C(O)C(C)(CC)C(=CC5=NC(=CC1=N2)C(C)=C5CC)N4)C(C)=C3CC"]
["186790962","C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)CC(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(O)=NCC(=O)CCC(=O)O)C4=N3)C(CC)=C1C"]
["189218171","CCOCC1CC(c2sc3[nH]c(-c4cc(C)c5ncnn5c4)c(C(C)C)c3c2C)CC(C)N1CC(=N)O"]
["195260511","C=Cc1c(C)/c2[nH]/c1=C\\C(=C)/C(C)=C(CC)\\C=C\\C1=C(C)C(=C)C/C(=C3/N=C(\\C=2)CC3CCCOO)C(=C)N1"]
["168282679","CCC1=C(C)C2=CC3=NC(=C(C)/C3=C(\\C)O)C=C3NC(=C4C5=NC(=CC1=N2)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C3C"]
["158781969","Cc1nc2ccc(N=C(O)[C@@H]3CC[C@H](C)O3)cc2[nH]1"]
["168435268","C=CC1=C(C)C2=NC1=CC1NC(=C(CCC(=O)O)C1C)/C=c1\\[nH]c(c(C)c1C)=CC1=N/C(=C\\2)C2=CC=C(C)[C@@H](C)[C@]21C"]
["173077703","[As-]=C1[CH+][CH+]C(=[As-])C(=[As-])[CH+]1"]
["25318658","CC1=CC(C)=NC(=[N-])[CH+]1"]
["177042523","CCC.NC1=CC(=[As-])[CH+]C(N)=C1"]
["58257691","CNC1=CC=C[CH+]C1=[As-]"]
["99497798","OC1=NNC(=[As-])[CH+]1"]
["99476383","CC1=C(O)[CH+]C(=[As-])C=C1"]
["62085047","[Si-]=C1[CH+]C(=[Si-])[CH+]C(=[Si-])[CH+]1"]
["5402643","CC[C@@H](CO)Nc1ccccc1"]
["99473666","CC1=NNC(=[As-])[CH+]1"]
["99472111","OC1=C(C(F)(F)F)C=C[CH+]C1=[As-]"]
["99591406","[As-]=C1C=Cc2cccnc2[CH+]1"]
["26154132","[N-]=C1[CH+]C=NC=N1"]
["173824916","C[Si]=c1ccc(=c2cnc(=c3ccc(-c4ncc(-c5ccc([Si](C)(C)C)cc5)o4)c4c3=NS[N-]4)o2)cc1"]
["23621138","COc1ccc(C(CN=C(O)c2ccccc2-c2ncc(-c3ccccc3)o2)N2CCOCC2)cc1"]
["136633374","COCc1ccccc1N=C(O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1"]
["81655747","COC(=O)CC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3cnc(-c4cnc(C5CCCN5C(=O)C(N=C(O)OC)c5ccccc5)[nH]4)o3)cc2)[nH]1)c1ccccc1"]
["170689474","[2H]c1c([2H])c([Si](C)(C)C)c([2H])c([2H])c1-c1sc2c(-c3cc(C)cc4c3oc3cc(F)ccc34)nccc2c1C"]
["178335980","Oc1ccc(-c2cnc(-c3ccc(-c4ccccc4)cc3)o2)cc1"]
["127407242","Cc1nn(C)c(C)c1CN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1"]
["59358001","COC(=O)CN=C(O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1"]
["58745127","Cc1ccc2nc(-c3ccc([Si](C)(C)C)cc3)c(C)cc2c1"]
["141935911","COc1ccc(-c2cnc(CN3CCC(N=c4cccn[nH]4)CC3)o2)cc1"]
["138282641","Cn1nccc1CS(=O)Cc1ncc(-c2cccc(Br)c2)o1"]
["127530394","CC(NC(O)=NCCc1cc(F)cc(F)c1)c1ncc(-c2ccccc2)o1"]
["180867670","NCCI=N/C=C\\S"]
["79471639","N[CH]CN.N[CH]CN.[Pd]"]
["156223978","NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO"]
["174817239","ClCCl.NCCS"]
["95795190","NCCC1(CN=c2cc[nH]cc2)CC1"]
["174305683","C=C/C(=C\\S)CN"]
["99811449","CCC#CC(C)=N/C=C\\S"]
["162395495","CC(C)n1[nH]cnc1=NCCN"]
["167574349","NCN=C(O)S"]
["188013327","C=N/C=C\\C=N/CCN"]
["175501215","NCN=CSC=NCN"]
["MCULE-9248863309","N=c1cc(C2C(CCN)C2(F)F)cc[nH]1"]
["173690929","[B+]C([B+])([B+])C([B+])([B+])[C@@]([B+])([NH-])[C-]1[CH-][CH-]C[CH-][CH-]1"]
["173926811","[B+]C([B+])([B+])[C-]1[CH-][C-](C([B+])([B+])[B+])[C-](C(=O)[O-])[CH-]C1"]
["190756535","[CH-]1[CH-]C1.[Ca+2]"]
["99698865","O=C([O-])CCC(=O)[c-]1cccc1.[CH-]1[CH-][CH-]C[CH-]1.[Fe]"]
["174038742","[B+]=c1c(=[B+])c(=[B+])c(=c2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(=c3[cH-][cH-]c4[c-][c-]([C-]5[CH-][CH-]C[CH-][CH-]5)[cH-][cH-][c-]4[cH-]3)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c23)c(=[B+])c1=[B+]"]
["55767963","Br[C-]1C=c2ccoc2=C[CH-]1.[Mg+2]"]
["175224391","[B+]C1([B+])CN(C([B+])([B+])[B+])[C@]([B+])([C-]2[CH-][CH-][CH-][N-][CH-]2)C1"]
["173725238","[B]C(S[C-]1[CH-][CH-][CH-][CH-][C-]1N)(C([B+])([B+])[B+])C([B+])([B+])[B+]"]
["177035928","[B+]C([B+])([NH-])C1=C=CC(C(OC)OC)C[CH-]1"]
["174917300","[B+]C1([B+])OC([B+])([B+])C([B+])([B+])N([C-]2[CH-][CH-]C(N=C(O)OC[C-]3[CH-][CH-]C[CH-][CH-]3)=C=C2F)C1([B+])[B+]"]
["174077349","[B]C([B])([B])C([B])([C-]1[CH-][CH-][CH-][C-](C([B])(C([B+])([B+])[B+])C([B+])([B+])[B+])[C-]1C(C)(C)C)C([B])([B])[B]"]
["173919441","[B+]C([B+])([B+])N(C[C-]1[CH-][C-](OC([B+])([B+])C([B+])([B+])C([B+])([B+])[O-])[CH-][CH-][C-]1S[C-]1[CH-][CH-]C[CH-][C-]1N)C([B+])([B+])[B+]"]
["174938513","CNC=c1cn[c-]2c1=C(Br)C=C[N-]2"]
["174099326","C=C/C(=C\\N=C)Nc1cc(NCC(C)C)nc2c(Br)cnn12.CO"]
["MCULE-4291691173","COC(=O)c1c(S(C)(=O)=O)nn(-c2cnc(C)c(C)c2)c1Br"]
["199509704","ClC(Cl)c1c(Br)cncc1Br"]
["163027869","Brc1cnn(NC=C2N=CC=N2)c1"]
["184587047","CN=CC(C)(C)c1ccc(Nc2nc(Cl)ncc2Br)cc1"]
["156325214","CC(C)(O)CNc1ccc(Br)nc1"]
["94176336","CCOCC(NC)c1c(Br)cnn1C"]
["86477183","CNc1cc(-n2cc(Br)cn2)nc(C(C)(C)C)n1"]
["189102909","C=C(C=C(C)OC)/C(=C\\C)c1ccc(Br)cn1"]
["173815727","C=C(/C=c1/cc(NC)nc/c1=C/C)/C(=C/C)N(C)C(=C)C"]
["98498819","CNc1ccc(N)c2c1C=CN(O)N2O"]
["65450860","CC1[B]C(CC2C(C)C(C)[B]C(C)C2C)C(C)C(C)C1C"]
["66522927","CCOCC1C2CCC(C2)C1C"]
["167325690","C=[C-]CCC1C(C)C(C)C(C)C1C.[Na+]"]
["50645857","CC1[B]C(C)C(CC2C(C)C(C)[B]C(C)C2C)C(C)C1C"]
["25892559","CCC1C(C)C(C)C(C)C(C)C1C"]
["190989088","COCC1C(C)C(C)[C@H]1C"]
["184973831","CCC1[B]C(C)C2COC(=O)C12"]
["184298747","C[C@H]1O[C@@H](O)[B]C1O"]
["67689169","CCOCC1OC(F)C(C)[C@@H](C)[C@H]1C"]
["176425229","CC.CC1[B]C(C)C(C)C1C"]
["174000961","CC1[B]C(C)(C)C(C)C(C)C1C"]
["184353003","CCC1C(CC)C(C)(C)C(C)C(C)[C@H]1C"]
["25496977","ClNNc1cnc(NNCl)c(NNCl)c1NNCl"]
["145708675","FC(F)CNCc1cnc(Cl)s1"]
["114959981","C=C(Cl)CNc1ncc(F)cc1C(=O)O"]
["165615184","CC[C@H](CO)Nc1ncc(Cl)cc1[N+](=O)[O-]"]
["69562357","CNc1ncc(C#N)cc1B1OC(C)(C)C(C)(C)O1"]
["85915860","FC(F)(F)c1cnc(NCC2CCCS2)c(Cl)c1"]
["157796783","CC[C@H](C)Nc1cnc(Cl)cc1C"]
["93507246","Cc1cnc(NC2CCCC2C)c(Br)c1"]
["56182782","OCC1CCCCC1CNc1ncc(Cl)cc1Cl"]
["113231142","CNS(=O)(=O)CCNc1ncc(Br)cc1Cl"]
["189293988","Clc1cc2c(Br)cnc(NC3CC3)c2cn1"]
["111337765","Cc1cnc(Cl)c(NS(=O)(=O)C2CCCC2)c1"]
["75183595","O=S(=O)(O)OC1CC(OS(=O)(=O)O)(OS(=O)(=O)O)C(OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C1OS(=O)(=O)O"]
["177957209","CCC1(C)OC2CCCC(OCCCS(=O)(=O)O)C2O1"]
["199738429","CCOC(=O)c1cc(C)sc1N1CC(S(=O)(=O)Cl)CC1=O"]
["69517956","C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC(OS(=O)(=O)O)CC(=O)C4(C)C3CCC12C"]
["174877719","C1=NCCN1.CC(C)COS(=O)(=O)O"]
["78815064","O=S(=O)(O)OCCS(=O)(=O)C1CCCCCCCCCCCC1"]
["158451072","C[C@H](CS(C)(=O)=O)N(C)C(O)=N[C@@H]1CCC(O)=NC12CCC2"]
["195491351","O=S(=O)(O)C1(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)CC1(S(=O)(=O)O)S(=O)(=O)O"]
["25769855","CC(OS(=O)(=O)O)OS(=O)(=O)O"]
["112741875","CCOC1CC(NS(=O)(=O)c2cccc(O)c2)C1(C)C"]
["158595273","CCS(=O)(=O)N=C(O)[C@H]1CCCC[C@@H]1OC"]
["3006260","COc1ccc(N2C[C@H](N=C(O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1OC"]
["183846020","N#COS(F)(Cl)(C#N)([N-]N=[N-])N(Br)[I+]C#N"]
["183625989","N#CI(F)(Cl)(Br)N(N=[N+]=[N-])[N+](=O)[O-]"]
["164445083","N#COCCC1OC1C(O)=NCC1CC1"]
["182128744","N#CN(N=[N+]=[N-])OCO"]
["182092874","N#COC(N=[N+]=[N-])(OCCl)[N+](=O)[O-]"]
["169187805","COc1c(F)cc(C2OC2(C#N)C#N)cc1Cl"]
["181319197","C#CCSI(F)(Cl)=[N+](Br)[N-]N=[N-]"]
["58338845","N#Cc1c[nH]c(C(F)(F)F)c1COCC(Br)c1ccc(Cl)cc1"]
["183492327","COc1c(N=[N+]=[N-])ccc(Br)c1C#N"]
["184052852","N#CN(N(Br)[I+]Cl)S(=O)(=O)[N-]N=[N-]"]
["183888552","[N-]=N[N-]OC(=O)C(F)(Br)[I+]Cl"]
["21398231","[H]/N=C1\\[C@@H](C#[NH+])C2=CCN(C)C[C@@H]2[C@H](c2ccc(OC)c(Br)c2)C1(C#N)C#N"]
["100996929","C1C[NH+]=C2N(C1)CCCN2CN1CCCN2CCC[NH+]=C21"]
["105702134","C[C@@H]1CCCN(c2c(N)ccc(F)c2F)C1"]
["46495266","Cc1ccc(N2CCCC2CN)cc1C.Cl"]
["145010980","CNCC(=O)c1cc(OC)c(N2CCCC2)cc1OC"]
["86179063","BrCCN1CCCN(Cc2ccc(Br)s2)CC1"]
["17331687","CCOC(=O)C1(C(F)(F)F)N=C(N2CCCCC2)OC(N2CCCCC2)=N1"]
["10302692","COc1ccc(-c2[nH+]n(CN3CCCCC3)c(=S)o2)cc1OC"]
["165697680","CCCN1CCCN(c2ccnc3cc(Cl)ccc23)CC1=O"]
["196425764","N=c1[nH]sc(=NCCN2CCC2)[nH]1"]
["152967803","C[C@@H]1CCCN(c2ncc([C@@H](N)CC(=O)O)cn2)C1"]
["142065482","COCCC(C)Nc1ccccc1N1CCCCCC1"]
["21746892","S=c1sc(N2CCCC2)[nH+]n1C[NH2+]C1(c2ccc(Cl)cc2)CCC1"]
["182509780","N#[N+][N-][N+]1(CCO)C=CC=CC1"]
["173596829","CCC(CC)=NC1=C(C)CN(CCO)C1"]
["73477926","O=C(O)C[N+]1(NC(=O)[O-])CCC1=O"]
["74556362","[C-]#[N+]c1cc(C(C)(C)C(=O)C[N-][N+]#N)ccc1F"]
["32665833","O=C1C=CC[C@H](CO)O1"]
["91853172","CC(CO)C(C)NC1CCc2ccccc21"]
["172367880","CCCCCC[N+]1(CC)C=CC=CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F"]
["77519496","CC(C)(C)CN1CCN(CC2=CC(=O)C3C=CC=CC3=N2)CC1CCO"]
["99587947","C[N+]1(/C=N/[O-])C=CC=CC1.I"]
["175508285","Cl.OCCCCN1C=CC=CC1"]
["165172594","O=CBN1CC(=O)c2sc(=O)n(CCO)c2C1"]
["182194706","CN1C=C[N+](CCNc2cc([N+](=O)[O-])c(N)cc2Cl)([N-][N+]#N)C1"]
["91067623","C[Si+]=[Si](C)[Si](C)=[Si](C)[Si](C)=[Si](C)[Si](C)=[Si-]C"]
["199903690","CC(C)(C)[Si-]=N.[Li+]"]
["172948861","C[Si+]CNC(O)=NC[Si-]C"]
["42782203","CN[Si](C)C"]
["83056369","C[Si+]=S=[Si-]C"]
["63009598","C[Si+]=[Si](C)[O-]"]
["49145376","C[Si+][Si](C)=[Si-]"]
["168544448","C[Si](C)N[N+]#N"]
["49293071","C[Si+]C[Si-]C"]
["33057483","C[Si]C(C)B(C(C)[Si+]C)C(C)[Si-]C"]
["83056848","C[Si+]=[Si-](C)(C)[Si](C)C"]
["172678642","C[Si+][Si](=[Si+])[Si]#[Si][Si](=[Si-])[Si-]C"]
["195704755","C=NC1C(=O)C(N)=C2C[C@@H](N=C)C3C(C(N)CC4(N)C3CC(N)[C@@H]4C(N=C)N=C)C2C1N"]
["103978036","O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1"]
["33823884","C1C[C@@H]2C3=C4C[C@H]5C6=C7[C@H]8CC[C@@H]6[C@@H]2[C@H]8[C@@H]1[C@H]3[C@@H]1C[C@H]7[C@H]5[C@@H]41"]
["177461845","CC1=C2C3C4CC(C5c6c(C)cc(N)c(C)c6C45)C3C2C(C)(N)C=C1"]
["46407922","C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)[C@H](F)C[C@@H]23)[C@@]2(C)CCC(=O)C(N)=C12"]
["623430","C=C(C)[C@@H]1CC(=O)[C@H]2[C@H](C1)[C@@H]1C(=O)O[C@H]3[C@@H]1CC(=O)[C@H]2[C@H]3C(C)=O"]
["178162721","C=N[C@@H]1CCCC[C@H]1N"]
["74313818","NC1CC2OC1C1C2C(=O)N(CC(O)=N[C@@]23C[C@@H]4C[C@@H](CN(C4)C2)C3)C1O"]
["52651864","C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CCC[C@H](N)C2)[C@]2(C)C(C)CCC3(CCC(=O)C32)[C@@H](C)C1O"]
["147206187","CCC(CC)N1CC(C(=O)N2CCC(N)C(C)(C)C2)CC1=O"]
["147380523","Cl.NC1C2CCCC1CC(C(O)=NC1CC(=O)N(c3ccccc3Cl)C1)C2"]
["174277818","O=C1C[C@@H](O)[C@@H]2[C@H](F)[C@H]12"]
["183897540","[N]=NN=C1N=BOOC1(F)F"]
["167049725","OC(CN1CCN(c2ccccn2)CC1)=N[C@H]1CCCC(F)(F)[C@@H]1O"]
["MCULE-6017143028","N#CCC1C(c2ccccc2N=[N+]=[N-])C1(F)F"]
["MCULE-4072071695","FC1(F)C(CCl)C1c1cccc(Cl)n1"]
["32495060","FC1(F)[C@H](c2ccccc2)[C@@H]1c1ccccc1"]
["MCULE-5564959440","Cc1cc(N)nc(C2C(CC#N)C2(F)F)c1"]
["167078417","COc1cnc(NC(O)=NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)s1"]
["97927617","N#CC1(F)C=CC(N=C(NO)c2nonc2N)C=C1"]
["MCULE-4083160130","N=C(O)C1C(c2cccnc2Br)C1(F)F"]
["MCULE-5266627451","N#CCC1C(c2cccc(O)c2Br)C1(F)F"]
["MCULE-7254011161","Cc1cc(C2C(CCl)C2(F)F)cc(C)n1"]
["171492356","N#CC1=Cc2ccccc2OC1(F)F"]
["196000689","NC(N)(I)C(N)(N)NNC(N)(N)C(N)(N)C[I-]P"]
["178148387","CC(C)(CN)C[I-]I"]
["66064549","CC(C)(CCN)C(N)(I)I"]
["178925680","CCC(C)(I)C(N)(I)C(C)(CC)CC"]
["178900848","CCC(N)(I)CO"]
["182084625","NCCC(O)C(N)(O)O"]
["99635222","CC(C)(CN)CC(N)(I)I"]
["180550266","CC(I)(NP)[I-]C(I)(I)C(C)(C)C"]
["195876887","CC(C)(N)NC(C)(C)I"]
["157002254","CC[C@](C)(N)c1nc(C)c(C)[nH]1"]
["180215490","C[I-]CC(C)(C)N"]
["195495888","CCC(N)(I)CC(=O)OC"]
["173531046","C1=C2C=C3C=c4[nH]ccc4=C(c4ccc5ccc6ccc(nc6c5n4)C4c5[nH]c1cc5C1=c5[nH]c(cc54)=Cc4cc5c([nH]4)C(c4ccc6ccc7ccc1nc7c6n4)c1cc4[nH]c1=C5c1ccc5ccc6ccc(nc6c5n1)C1c5[nH]c(cc5-c5c6ccc7ccc8ccc(nc8c7n6)c6c7cc[nH]c7cc7cc(cc8cc1c5[nH]8)[nH]c76)C=4)C3N2"]
["179328843","C=C(/C=C\\c1ccc2c(c1N)NC(c1ccc3cc(-c4ccc5ccc6ccc(-c7ccc8sc9ccccc9c8c7)nc6c5n4)ccc3c1)C=C2)c1ccc2sc3ccccc3c2c1"]
["MCULE-8857338154","CC(C)(C)c1nc(Nc2ccc3cc[nH]c3c2)cc(N2CCOC(c3ccc(Br)cc3)C2)n1"]
["100556522","COC(O)=N[C@H](C(=O)N1CC2CC2C1c1nc2c(ccc3cc(-c4ccc5c(ccc6nc(C(C[C@@H](N=C(O)OC)C(C)C)C7CC7CN)[nH]c65)n4)ccc32)[nH]1)C(C)C"]
["99820662","C1=c2cccc3c2=NC1C(c1cccc2cc4cccc(-c5c6cc7cccc(c8ccc9ccc%10ccc(nc%10c9n8)c8cccc9cc5[nH]c98)c7n6)c4cc12)c1cc2cccc(c2[nH]1)-c1ccc2ccc4ccc-3nc4c2n1"]
["178290507","C=S1c2ccccc2-c2ccc(C3=c4ccccc4=CC4C3c3ccccc3N4/C(N)=C3\\CCC(c4c(C)c(C5CC5)c(O)c(O)c4O)=C\\C3=C(\\N)c3ccc(-c4cccc5cccnc45)cc3)cc21"]
["120903578","CNC(c1ccc2nc(C)[nH]c2c1)C1CC(N)C1"]
["83568829","N=C(O)c1ccc(-c2cc(C(=O)C(F)(F)F)c3cc[nH]c3c2)c(COc2ccc(-c3nc4cc(C5NNNN5)ccc4n3C3CCCCC3)cc2)c1"]
["186058557","CC(NCC1Nc2ccccc2C1C1N=C(O)c2ccc(O)cc21)c1ccc2cc[nH]c2c1"]
["169271639","OC(Nc1cncc(-c2cnc3[nH]nc(-c4nc5[nH]ccc(-c6ccc(F)s6)c-5n4)c3c2F)c1)C1CCCCC1"]
["177239827","CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OC2CCCC2)cc2[nH]ccc12"]
["175965719","Cc1cnn(C)c1-c1ccc2nc(-c3cc(F)cc4[nH]ccc34)nc(N3CCOC[C@H]3C)c2n1"]
["187111395","C1=C2c3ccccc3-c3ccc4[n+](c3)C(=C3c5ccccc5-c5ccc6c[n+]5C3(/C=C\\1c1ccccc1-6)/C1=C\\C35CC23c2ccccc2-c2ccc(c[n+]25)-c2ccccc21)c1ccccc1-4"]
["55084961","C=CCOC(=O)C1=C2c3ccccc3-c3ccccc3C2(O)CC1=O"]
["176239496","CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2-c2ccccc2C(c2nc(-c3ccccc3)nc(-c3cccc4c3C3C=CC=CC3O4)n2)C1"]
["74294430","CCCCS(=O)C1(OP(=O)(O)CCCC)c2ccccc2-c2ccccc21"]
["164597991","O=C1C=C([C@]2(Cc3ccccc3)C(=O)Oc3ccccc32)C(=O)c2ccccc21"]
["153499668","CCC/C=C1\\OC(=O)[C@@]23C=CCC[C@@]12[C@]1(OC(=O)c2ccccc21)[C@H]3CCC"]
["169898590","Cc1ccccc1-c1ccc(-c2cc3c4cccc5c6ccccc6n(c3cc2C)c54)[n+](C2=CCC3c4ccccc4-c4cccc[n+]4C3C2)c1"]
["53137563","N#Cc1ccc(C=Cc2[nH]nc3cc([C@@H]4C[C@@]45C(O)=Nc4ccccc45)ccc23)cc1"]
["178592961","CCCC1(C)OC(=O)C2CCCN2[n+]2cc(-c3ccccc3)nc(-c3ccc(C(C)CC4CC4)cc3)c2-c2ccccc21"]
["99427387","Cl.Cn1cc([N+](=O)[O-])sc1=N/N=C1\\C(c2ccccc2)=Nc2ccccc21"]
["97157728","c1ccc2c(c1)-c1ccc(-c3ccc4c(c3)C(CC3CCCCC3)(CC3CCCCC3)c3cc(-c5ccc6c(c5)C(CC5CCCCC5)(CC5CCCCC5)c5ccccc5-6)ccc3-4)cc1C2(CC1CCCCC1)CC1CCCCC1"]
["172123083","COC1(OC)C=C2CCN3CN4CCc5ccccc5C4=C3C2=C(Cl)C1(OC)OC"]
["180163268","N=[N+]([NH-])CCc1cccc(C2=CC=CC=I2)c1"]
["130114764","N=C(O)c1cccc(CCN=C(O)N(C2CC2)C2CCCc3ccccc32)c1"]
["MCULE-5847781584","N#CCc1cccc(-c2ccc(N=C(O)c3cc(F)c(F)c(F)c3)c(F)c2)c1"]
["186782459","Cc1cc(O)cc(C)c1-c1cccc(CC(=O)O)c1"]
["MCULE-4535107435","CCc1ccc(C(=O)N2CCN(Cc3cccc(-c4cccc5c4C(=O)N(C4CCC(O)=NC4=O)C5=O)c3)CC2)s1"]
["145285885","O=c1cnc2ccccc2n1Cc1cccc(-c2ccc3c(c2)C=NC3)c1"]
["19114024","COc1cccc(CCCN[C@H](C(=N)O)c2ccc(F)cc2)c1"]
["21104072","O=C1CSC(=O)N1Cc1cccc(-c2nc(O)c3cc([N+](=O)[O-])ccc3n2)c1"]
["MCULE-5264308883","Cc1ccccc1CN1CCN(C(=O)c2cccc(-c3ccc(CCC(=O)O)cc3)c2)CC1"]
["86576997","Cc1cccc(CCC(O)=NCC(C)CC(=O)O)c1"]
["3098223","Clc1ccccc1OCc1cccc(-c2nc3c4ccccc4ncn3n2)c1"]
["MCULE-8635893949","CC(C)CC(C(=O)N1CCN(CCCc2cccc(Cl)c2)CC1)N1C(=O)c2ccccc2C1=O"]
["70218342","[C+]#[N+]c1ccc(C=[C-]c2ccc([Se]c3ccc(CC=c4ccc(=C=[N-])cc4)cc3)cc2)cc1"]
["179654024","C.[N-]=C=c1ccc(=CC2=C(O)CC(CCc3cc[c-]c(Cl)c3)(C3CCCC3)OC2=O)cc1.[U+2]"]
["98878466","CCc1ccc(C=CCC(C)C)cc1"]
["176081340","CC=c1ccc(=C=[N-])cc1N.[Y]"]
["173377205","C=Cc1ccc2nccc(Cc3ccc(N)c(C)c3)c2c1"]
["96577315","CC(C)(C)C(=O)C(C)(C)COC([O])=c1ccc(=C=C=[N-])cc1"]
["67144765","[C+]#[N+]c1ccc2c(c1)CCC1C2CC[C@@]2(C)C1CC[C@@]2([O-])Cc1ccc(C2C=CN(O)C=C2)cc1"]
["97879897","[C+]#[N+]c1ccc([C-]=C([O-])OC)cc1"]
["150699489","O=CCc1ccc(CC=C2CCC2)cc1"]
["45110805","C=CCc1ccc(-c2cc(=S)ss2)c(OC)c1"]
["171706553","C=CC#CC=C.CCCc1ccc(/C=C/C#C/C=C/c2ccc(C)cc2)cc1"]
["101077360","COc1ccc2cc(C/C=C/c3ccc(C)cc3)ccc2c1"]
["172470942","c1ccc(S2(c3cnccn3)(c3cccnn3)(c3ncc[nH]3)C(c3ncccn3)=C(c3ccco3)NC2(c2cc[nH]n2)c2ccon2)nc1"]
["102879148","OC(CC[C@@H]1CCCOC1)=NCCc1nc(-c2ccco2)n[nH]1"]
["MCULE-2539748738","O=C(NCCn1cnc2ccccc2c1=O)c1cc(-c2ccco2)[nH]n1"]
["92408228","CC(C(O)=NCCc1nc(-c2ccco2)n[nH]1)N1CCc2ccccc21"]
["54643431","CSc1nc(-c2ccco2)nc(C)c1C(=O)OC/C([O-])=C(/C(C)=N)C(C)=O"]
["140987282","Cc1oc(-c2ccco2)nc1CC(O)=Nc1ccc(Oc2ccccc2)nc1"]
["141897673","COC(=O)c1cnc(O)c(N=C(O)c2cc(-c3ccco3)nc3ccccc23)c1"]
["93784825","NNC(CCc1ccccn1)Cc1cccnc1"]
["108247776","c1ccc(CN2CCOC3(CCN(Cc4ccco4)CC3)C2)nc1"]
["5352795","COc1ccc(-c2c(C)nn3c2N=C(c2ccco2)C[C@H]3c2cccnc2)cc1"]
["147124160","COc1ccccc1C1CNCCN1C(=O)c1cnc(-c2ccco2)s1"]
["134297170","CC(C)Oc1cccc(C(O)CN=C(O)CCc2nc(-c3ccco3)no2)c1"]
["102959493","C1=c2cp[cH-]c2=C[PH2+]1"]
["110892846","C1=c2cn[cH-]c2=C[NH2+]1"]
["197643772","Br/C=C/c1cnsc1"]
["150736709","Ic1cc2c#cc3cc(I)cc(c#cc4cc(I)cc(c#cc5cc(I)cc(c#cc6cc(I)cc(c#cc7cc(I)cc(c#cc(c1)c2)c7)c6)c5)c4)c3"]
["75934567","Ic1cc(I)cc([C](c2cc(I)cc(I)c2)c2cc(I)cc(I)c2)c1"]
["177132384","Cc1cc[si](Cl)cc1"]
["65452971","Fc1ccc2nnc(Br)n2c1"]
["79717579","C[C]1P=C(C)C=C1C.[H-].[Sc]"]
["102922757","C1=c2c3c(c4c(c2=C[PH2+]1)=C[PH2+]C=4)=C[PH2+]C=3"]
["180773316","CI(C)(I)=c1cno[cH-]1"]
["87899555","O=Cc1ccc2nnc(Br)n2c1"]
["89388486","Cc1ccc2nnc(Br)n2c1"]
["26918361","BrC1=C=C(CC2=C(Br)C(Br)=C=C(Br)[CH+]2)C(Br)C(Br)=[C-]1"]
["12460403","O=C([NH2+]c1ccc(F)cc1)N1CCCN(Cc2ccc(Cl)cc2)CC1"]
["158124609","Clc1cc([C@@H]2C[C@@H]2Br)c(Cl)s1"]
["81070676","Cc1cc(C)c2c3c(sc2n1)C(=O)C(Br)C(O)=N3"]
["157960873","Clc1cc([C@@H]2C[C@H]2Br)c(Cl)s1"]
["81529122","C=[C-]C1=[C-]C(=O)C(Br)N=N1.[Y]"]
["187631348","O=C(O)N1CC(Br)C(OCCO)C1"]
["25556504","Br[C]1C(Br)=C=C(Br)C(Br)=C1Br"]
["113747216","CCC(C)CN(CC)C(=O)c1ccoc1Br"]
["25333419","BrC1=C=C(Br)C(Br)=C(CC2=C(Br)C(Br)=C=C(Br)[C-]2Br)C1=[Br+]"]
["91294447","ClC1=C(Br)C(Br)=C=C(Br)[C]1Br.ClC1=C(Br)C(Br)=C=C(Br)[C]1Br.[Hg]"]
["25746109","CCC1=C=C(C)[C-]=C(CC)[CH+]1"]
["195770015","COON([O-])[I-]CN([O-])OC"]
["60743641","CCc1ccc(C(OC)(OC)OC)cc1"]
["46572503","COc1ccc(Cl)cc1CN(C)CC(=O)N(Cc1ccccc1)C(C)C"]
["162055240","CCC(=O)C(=O)N(C)OC"]
["174294368","CON(CCO)OCCO"]
["74062395","CON(C(=N)O)C([O])=CCc1ccccc1"]
["141238056","COC(C)(C)CC(C)N=C(O)Cc1ccc(S(=O)(=O)C(F)F)cc1"]
["181267880","CO[C@@H]1CNC[C@H](C[O-])O1"]
["137890765","CON(Cc1ccccc1)C(O)=NC1CCCOC1"]
["170607164","COC([Si])(OC)OCS"]
["144421352","CON(Cc1ccccc1)C(=O)c1cc(N2CCN=C2O)ccc1F"]
["98728393","CON(Cc1ccc(F)c(F)c1)C(=O)CC(=O)C(=O)O"]
["51098977","[Si-]=C1C(CCl)=C2[CH+]C=CC=C2N2C=CC=CN12"]
["65235931","COC1=C(C)C(=O)C(C)=C(CCl)C1=O"]
["84807001","Cc1ccnc2c1nc(CCl)n2C(C)c1ccccc1"]
["56147214","Cc1nc(Cn2c(C(C)C)nc3cc(N)ccc32)cs1"]
["175746055","CC/C=C(\\Cl)N1C=CC=C(C)C1O"]
["85587923","Cc1ccc2nc(CCl)n(-c3cc(Br)ccc3Br)c2c1"]
["185115372","CC1=C(O)[CH+]C=CC1=[Si-]"]
["111955235","CCC(COC)n1c(CCl)nc2cc(F)c(C)cc21"]
["112811502","Cc1cnc(Cn2c(CCl)nc3c(Cl)cccc32)s1"]
["67092490","COc1ccc(C)cc1-n1c(CCl)nc2cc(F)ccc21"]
["49410887","Cc1ccc(F)c(-n2c(CCCl)nc3cc(Br)ccc32)c1"]
["111955239","CCCC(COC)n1c(CCCl)nc2cc(F)c(C)cc21"]
["66317081","C1=COC2(C=C1)CC1=C3C=CC4=C5C=CC6(C=C5C=CC45OC35C=C1O2)OCCO6"]
["25419839","[O]C1(C2CCCCC2)C=CC=CO1"]
["171690030","OC1(C2=C3C=CC(=C2)C3=C=C=CS)C2=CC=C1C=C2"]
["185230325","N=C(O)C1CCC2=C3C=CC4(C=C3CCOC2C1)OCCO4"]
["25883980","C1=CC2=CCC3=Nc4ccccc4SC34C=CC=CC24C=C1"]
["174004438","N#CC1(O)C=CC=CO1"]
["90773420","COC(C(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C1(C)OCCO1.[I-]"]
["50488550","C=CCC1(CC=C)C=CC=CO1"]
["171951713","Oc1cc2c(cn1)=C1C=CC3(C=C1C=CC=2)OCCO3"]
["49198306","C1=COC(c2ccccc2)(c2ccccc2)C=C1"]
["183858917","C1=CC23OCCOC2(C=C1)O3"]
["74499288","S=C1OOCCOC2(C=CC=CC2)O1"]
["170550725","CC(C)(C)N=P1([Se-])N(C(C)(C)C)P([Se-])(=NC(C)(C)C)N1C(C)(C)C.CC(C)(C)[NH2+]P1(=[Se])N(C(C)(C)C)P(=[Se])([NH2+]C(C)(C)C)N1C(C)(C)C"]
["175439954","CN1CCC(=NC(C)(C)C)C(=CN)C1"]
["113084175","COCC(CO)NCC(O)=NC(C)(C)C"]
["156249466","CC(C)(C)N=C(O)CN1CCC2(CC1)CC2N=C(O)C12CC3CN(CC3C1)C2"]
["178730713","CC(C)(C)OC(O)=N[C@H]1COCC[C@]1(C)O"]
["88505208","CCC1CCC2(C1)NC(=NC(C)(C)C)N=C2O"]
["19675210","CC(C)(C)N=C([O-])C(Br)(C(F)(F)F)C(F)(F)F"]
["103033776","[2H]C([2H])([2H])N1C(=NC(C)(C)C)N1C"]
["97834137","CC(C)/N=N/C(C)(C)C"]
["75742506","CC(C)P(=NP1(=NC(C)(C)C)N=P(N(C)C)(N(C)C)N(C)N(C)P(N(C)C)(N(C)C)=N1)(N(C)C)N(C)C"]
["59821288","CC(C)(C)N1P(C)(=[Te])N(C(C)(C)C)P1(C)=[Te]"]
["170604972","CC(C)(C)N1P(=[Se])(NC23CC4CC(CC(C4)C2)C3)N(C(C)(C)C)P1(=[Se])NC12CC3CC(CC(C3)C1)C2"]
["145083039","O=S(=O)(Cl)Cc1c2c(c(Br)c3c1OCC3)OCC2"]
["144633847","Cc1c2c(cc3c1C(=O)[C@](C)(CO)C3)C(=O)OCC2"]
["92870593","O=C(O)CC1CCN(Cc2cc(Cl)cc3c2OCC3)C1"]
["96455764","O=C(Cc1cc(Cl)cc2c1OCC2)c1cccc(Cl)c1Cl"]
["91870394","O=C(CSc1ccccc1Br)c1cccc2c1OCC2"]
["4944269","C[C@H](c1ccccc1Cl)S(=O)(=O)CC(O)=NC[C@@H]1CCOC1"]
["102899921","CCN(CC)c1ccc(N=C2C=C3Cc4cccc5c4OCCOCCOCCOCCOc4c(cccc4CC4=CC(=Nc6ccc(N(CC)CC)c(C)c6)C=C(C5)C4=O)CC(=C2)C3=O)cc1C"]
["377258","COc1c2c(c(OC)c3c(=O)cc(CN4CCC(CCC5CCN(Cc6cc(=O)c7c(OC)c8c(c(OC)c7o6)OCC8)CC5)CC4)oc13)CCO2"]
["468083","O=C1/C(=C/c2cccc(Cl)c2Cl)CCC/C1=C\\c1cccc(Cl)c1Cl"]
["145074704","CCc1c(CC(C)(C)N)cc(Br)c2c1OCCCO2"]
["121435730","CCS(=O)(=O)CC(O)=NC1CCCOc2c(F)cccc21"]
["142731732","O=S(=O)(c1cc(Br)ccc1Cl)N(CC1CCOC1)C1CC1"]
["79015172","ClC1(Cl)C[Si](Cl)(Cl)OC(Cl)(Cl)C1(Cl)Cl"]
["185552077","FC1(F)SC(Cl)(Cl)C(Cl)(Cl)C1(F)Cl"]
["65742231","CC1(Cl)COC1"]
["145765672","O=C1CCC(Cl)(Cl)C1(O)O"]
["91511068","CC1(C=NO)CC1(Cl)Cl"]
["97504433","ClC1(Cl)OCOC(Cl)(Cl)O1"]
["61034986","C[Si]1(Cl)CCCC(Cl)(Cl)O1"]
["24848823","NP1OC(Cl)(Cl)O1"]
["45295423","ClC12CCC(Cl)(CC1)CC2"]
["78112713","FC(F)(F)C1(C(F)(F)F)C[Si](C(F)(F)F)(C(F)(F)F)[Si](C(F)(F)F)(C(F)(F)F)[Si](C(F)(F)F)(C(F)(F)F)O1"]
["27127687","ClC1(Cl)COCO1"]
["43941043","C1OCC23CC4=C5CC67COCC6(C5)CC(=C(CC12C4)C3)C7"]
["172690085","C(=CC1C2(c3ccccc3)CC3(C=Cc4ccccc4)CC(c4ccccc4)(C2)CC1(C1C2CC4(C=Cc5ccccc5)CC(c5ccccc5)(C2)CC1(c1ccccc1)C4)C3)c1ccccc1"]
["157087085","N=C(O)[C@@H]1CC[C@H](CN=C(O)N2CCCCC[C@H]2/C=C/c2ccccc2)O1"]
["108838620","O=C(OC/C=C\\c1ccccc1)c1cncn1-c1ccc(F)cc1"]
["185855510","O=C(CCn1cccn1)N1[C@@H]2CC[C@H]1CC1(C2)CN(C/C=C/c2ccccc2)CCO1"]
["MCULE-8216858527","OC(CC1CC1)=Nc1cnccc1C=Cc1ccccc1"]
["191269702","O=C(CC1CCCCC1(F)F)C12CC3C[C@@](CCF)(C1)C[C@](c1ccccc1)(C3)C2"]
["186188266","CC(C)[C@H]1CN(C/C=C/c2ccccc2)C[C@@H]1N=C(O)C1(C(=N)O)CC1.Cl"]
["83055337","BrC1CCC(C=Cc2ccccc2)C2CCCCC1C2"]
["69275186","COc1cc(OC)cc(C(O)=NNC(=O)c2ccc(NS(=O)(=O)C=Cc3ccccc3)cc2)c1"]
["49673327","CC(C)(C)N1C(=O)C2C(C=Cc3ccccc3)NC(C(=O)O)(c3ccccc3)C2C1=O"]
["141625889","O=Cc1ccc(C(=O)N2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)[nH]1"]
["194862813","CC(C(=O)O)=C(O)C1(O)CC(C)C2C3C4=C(CC=C41)CC1=CC4(O)C5=C(C(=O)CC2(C)C5(C)C13O)C1(C)CCC(=O)C(C)(C)C1C4C=Cc1ccccc1"]
["21047477","CC[NH+](CC)CC#C[C@@H](C[NH+]1CCCC1)N1CCCC1"]
["108099503","CCN(CC(C)(C)O)C(O)=NC[C@@H](C)N1CCCC[C@@H]1C"]
["163997780","CC(CCN(C)S(=O)(=O)c1cc(C(=N)O)cs1)N1CCCC1"]
["9912257","CCCN(CCC)C(=O)CN1CC[NH+](CC(C)C)CC1"]
["2443201","COc1cccc(CCC[NH+]=C(O)[C@@H](C(C)C)N2CCCC2)c1"]
["172800159","CSCC(N1CCCC1)C(N)(C(=O)O)c1cc(OC(=O)c2csc(C(N)(C(=O)O)C(CSC)N3CCCC3)c2)cs1"]
["13285477","C=CC[C@@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCCC1)c1ccc(Cl)cc1"]
["80589213","COc1cc(C[NH+]2CCC(N3CCCC3)CC2)ccc1OCC(O)C[NH+](C)C(C)C"]
["118100252","CN=C(NCc1cccc(CN(C)C)c1)NCC(c1cccc(OC)c1)N1CCCC1"]
["162940119","CC(C)S(=O)N1CCCC1C#N"]
["14868156","CCc1nc2sc([C@H](c3ccccc3F)N3CCCC3)c(O)n2n1"]
["45686846","CCC(C)C(C)N1CCCC(NC2CC2)C1"]
["98851859","C#COC#COC#COCCC#CO.CO"]
["79414849","C#CCCOC(=O)OCC"]
["91838286","CC#CCCOC1CNC1"]
["156324862","C#CCCN(CCO)OC"]
["120161846","C#CCNCC(C)Oc1cc(C)c(Br)c(C)c1"]
["161100806","C#CC.CCCCOC(=N)O.I"]
["49256272","C=[N+](C)/C=C(/C(C)=N)C(=O)OCC"]
["180969","CCOC(=O)C1=C(NC)OCC1=O"]
["5578730","C#CCCCOC(=O)c1sc(NC(=O)C(C)(C)C)cc1C"]
["95363739","C#CC(CCCOCC)NCC"]
["54063232","CCC#COCCl"]
["49473218","CCOC(=O)C(CCC#N)(CCC#N)C(=O)c1cccs1"]
["74289991","O=C=C1C=[N+]=CC([C-]=O)=C1"]
["171878796","C=CC(=[C+]C)CC(=O)[O-].O=C=C1C=C[C](Cl)C=C1.[In]"]
["74970762","O=C=C1C=CSC1"]
["26473158","CNC1=CC(=C=O)C=CC1=[N+]([O])[O-]"]
["166835013","O=C=C1C=C(Br)S[C]1Br"]
["180845600","O=C=C1C=CC(O)=CC1[O-]"]
["173128822","O=C=c1ccc(=C=O)c2c(=[C-][O-])ccc(=[C-][O-])c12.[U+2].[U]"]
["42636372","[CH-]=C1C=[N+]=CC(C(=O)N(C)CC)=C1"]
["79641028","C=C[Si](CC)(CC)[C]1C=CC(=C=O)C=C1"]
["75162708","O=C=C1C=C(C2=CC(=C=O)CC=C2)C=CC1"]
["173263805","O=[C-]c1ccccc1.[Md]"]
["75275777","O=C=c1c(Cl)c(Cl)c(=C=O)c(Cl)c1Cl"]
["174618658","CI1C=Cc2cnnnc2C=C1"]
["174409557","Clc1cnnnc1Cl.Oc1ccccc1O"]
["162613911","CC(C)[C@H](N)c1cnc(Br)c(Br)c1"]
["171463117","C1=Cc2nnnnc2NO1"]
["196403146","COc1cnnc(C(C)N=CO)c1"]
["180444386","CI1C=Cc2nc(CCl)nc(Cl)c2C=C1"]
["149719360","Cc1nc(CO)cnc1-n1cnnn1"]
["108620453","Cc1nc(-c2cnncc2Br)sc1C"]
["158010138","Clc1nnnc(Cl)c1Cl.Fc1cnnnc1"]
["162241066","COc1cnc(Br)c(Cl)c1C(F)F"]
["112608257","CC1(Cn2cnnc2CO)CC1"]
["144845621","CC(CN)c1ccc2cnncc2c1"]
["195261164","CC/C=C\\C/C=C\\C/C=C\\SCCN(CC)CC(C)C(C)/C=C\\C/C=C\\C/C=C\\CC"]
["MCULE-1360405858","CCN(CC)CCCN1C(=O)C(NC(C)c2ccccc2)=C(c2ccccc2)C1=O"]
["167812821","CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OCCN=C([O-])CCCC/C=C\\C/C=C\\C/C=C\\CCCCC"]
["165072843","CCC=CCC=CCC=CCC=CCCCCCCCCC(=O)OC(COCCC(C(=O)[O-])[N+](C)(C)C)COC(=O)CCC=CCC=CCCCCCCCC"]
["176022861","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Oc1ccc(N=Nc2ccc(C(=O)NCCC(=O)O)cc2)cc1C(C)=O.CCC"]
["SN0134743-03","C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCC=CCC=CCC=CCC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12"]
["166921066","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)OC(C)CCCCCCCCCCCCCCCC(=O)O"]
["167832930","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O[C@H](CO/C=C\\CCCCCC/C=C\\CCCCCCCC)COP(=O)(O)OCCN=C([O-])CCCCCCC/C=C\\C/C=C\\C/C=C\\CC"]
["113972989","CCCN(CC)c1ccc(Cl)cc1CBr"]
["190993692","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(O)=N[C@H](C(=O)C[C@H]1CC(C(=O)OCC)=C[C@@H](OC(CC)CC)[C@@H]1C)C(C)C"]
["171905487","CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C(\\C)C(=O)OCC"]
["163926354","CC[C@@H]1O[C@H]([C@@H](O)/C=C/[C@H](O)C/C=C\\C/C=C\\C/C=C\\CCC(=O)O)C[C@@H]1O"]
["65517508","CC(=C=C(C1=C[CH-][CH-][CH-]1)N(C)C)C1=[C-]C[CH-][CH-]1.[Fe]"]
["1813292","CC(O)=Nc1ccc(Cl)cc1N=C(O)c1ccc2cc[nH]c2c1"]
["102575276","Cc1ccc(CN(C)C(=O)CCc2c(Cl)cccc2Cl)cc1"]
["10028875","Cc1cccc(C(O)=NN=C(O)N(C)Cc2cccc(Cl)c2Cl)c1"]
["159216370","CN(C)N=C(O)c1csc(Cl)n1"]
["107965065","C[C@H](C(=O)N(C)C)c1ccc(Cl)s1"]
["1078816","CC(=Nc1ccc(Cl)c(Cl)c1)N(C)C"]
["8327271","C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC(=O)[NH2+]c1ccc(C)cc1"]
["7912869","Cc1ccc2c(c1)=C(CC[NH+]=C(O)N(C)C)CN=2"]
["176888180","C=C(C)c1ccc2c(c1)CN=C(O)N2"]
["15247239","CN(C)c1ccc(Cl)cc1N=C(O)c1cc(F)cc(F)c1"]
["177173931","CN(C)C(=O)C1=CC=C2N=NC=CC=C2C1"]
["175859447","Cc1cc[n+](Cn2c(C)cc(C)[n+]2-c2cc(C)cc3[n+]2C[n+]2ccc(C)cc2-3)c(-c2cc(C)cc(-[n+]3c(C)cc(C)n3C)[n+]2C)c1"]
["89696308","Cc1cccc(N2CC(C)CN(C)CC2CCO)c1"]
["111635052","Cc1ccc(OC2(CCN)CCC2)c(C)c1"]
["29330832","CCCCC1=Nn2c(nnc2-c2cccc(C)c2)C1=Nc1ccc(N(CC)CC)nc1C"]
["MCULE-1316711878","CCOc1ccc(C)cc1-c1ccc(CC(O)=NC2CCN(C)CC2)c(OC)c1"]
["169679426","COc1cc2c(OC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OC1CC2(C1)CN(C)C2"]
["11821957","Cc1cc(C)c(N=C(O)CSc2nccn2-c2cccc(C(O)=NCc3ccco3)c2)c(C)c1"]
["MCULE-7638041894","CCOc1ccc(C)cc1-c1cccc(CC(=O)N(C)C2CCN(C)CC2)c1F"]
["88001121","COc1cc(C)cc2cc(C)n(CCN)c12"]
["162474167","CC[C@H](N)c1ccc(C)cc1C#N"]
["104690500","CC[C@H](C)N(CC)C[C@H](N)c1cc(C)ccc1C"]
["172230119","Cc1ccc(-c2ncnc3ccc(C)cc23)c(OC[C@@]23CCCN2C[C@H](F)C3)c1"]
["74274238","O=C=[NH+]C1=C2[NH+]=C[N-][C]2[NH2+]C=C1"]
["178772912","C.CCOc1cc(=C=O)cc2c1c1c(c(=O)n2COC)=C=C[CH-][N-]1.[U+2]"]
["74269220","N#CC1=C=CC=C([N+](N)=O)[CH]1"]
["174468288","O=C=[NH+]c1cc(C(F)(F)F)ccc1F"]
["176059801","[CH2-][n+]1ccc(C#CC2=C(Cl)C(=[SH+])C=C[NH2+]2)[n-]1.[Na+]"]
["74558846","O=C=C1C=CC=C(SSC2=CC=CC(=C=O)C2O)C1O"]
["174832367","CC.O=C=[NH+]c1ccc(F)cc1F"]
["150275971","O=C=[NH+]c1ccc(Cl)c(SCC(F)(F)F)c1"]
["174832471","O=C=[NH+]c1ccccc1F"]
["180108199","CC(C)(C)c1cccc2c1C=C[NH2+]2"]
["74799667","CC1=CC(=C=O)C(=[N+]([O])[O-])C=C1"]
["172085903","[2H]B=C1C=C[C](C(=O)O)C(C#N)=C1"]
["179056678","IC1=CC(=C2C=C(I3C[I+]C3)C=C[N-]2)[N-]C=C1"]
["54417210","ClC1=C2C=C=C3OCOC3=C2C=C[N-]1"]
["168397295","[B+]=C1C=C[N-]C(/C(C)=N/O)=C1"]
["187519344","N#CC1=CC(C#N)=C(I)CC1"]
["179646318","IC1=CN=C(I2CC2)N=C=C1"]
["179501529","CC(=O)CC1=CC(=[Si+])[N-]C=C1"]
["195133326","[OH+]=C1C=CC(I)=CC1=[Si-][O+]=[Si-]"]
["179532041","CC1=C2C=CI=C2C=C[N-]1"]
["173401549","CC1=C=C(CN)[N-]C=C1.[W]"]
["120162616","O=C1C=CC(I)=C/C1=C1\\N=C(C2CCC2)NO1"]
["178554836","CCC(C)C1=C/C=C/CN(CC(C)O)C(=NC)[N-]\\C=C\\1"]
["178093044","[B+]=C1C=C[N-]C(C(C)(C)O)=C1"]
["179554700","CC1=CCC(N(C2=CCC(C)CC2)C2C=CC(C3C(F)=C(F)C(C4=CCC(N(C5=CCC(C)CC5)c5ccc(C)cc5)C=C4)=C(F)C3F)CC2)CC1"]
["96136463","Cc1ccc(N(C)C(C)(CN)CC2CC2)cc1"]
["64960454","CC1CCCC(N(C)c2ccc(N)c(C(=N)O)c2)C1"]
["MCULE-7050803650","CCC(CC)N(C(=O)c1ccc(Cl)cc1F)c1ccc(C)cc1"]
["138331603","Cc1ccc(-c2ccc(C(=O)N3CCSCC3S(C)(=O)=O)c(F)c2)cc1"]
["68131289","CC1CCCC(N(C)C(CN)C2CCCC2)C1"]
["29726770","CC1CC=C(c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)CC1"]
["74110442","Cc1ccc(-c2nc(O)c(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)s2)cc1"]
["199386079","Cc1ccc(S(=O)(=O)N(CC#CCOC(=O)c2ccccc2)C2CCC(=O)CC2)cc1"]
["184489636","Cc1ccc(CCN=C(O)N(CCC2=CCC(C)C=C2)C(=O)OC(C)(C)C)cc1"]
["111812717","COc1cccc(C(=O)C2=CCC(C)CC2)c1F"]
["175829466","C1=CC(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)CC=C1c1ccc(-n2c3ccccc3c3ccccc32)cc1"]
["173826645","CCC1C[B+]C(C(C)(C)[B+]C(C)(C(C)OCC[O-])C2SCC3OCCOC32)[C@@H](C)C1OCC[O-]"]
["150305088","CC(C)COC1C(Cc2ccco2)CCCC(N=C(O)OC(C)(C)C)C(=O)OC1C"]
["195393270","CC(C)[S+](c1ccc(COC2CCCCO2)cc1)C(C)C"]
["78283336","CCCCCC(O)/C=C/C1(CCCCCCCOC2CCCCO2)CCCC1OC1CCCCO1"]
["193685617","[B][C@@H]1C[C@H](COC(C)C)C(OC(C)C)[C@@H]1C"]
["32721796","CC(C)[Si](OCCC1C[Si]1(C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C"]
["149899863","CCC(C)C(=O)OCCOS(=O)(=O)[O-]"]
["188971756","CC(BOC(C)(C)CC1CO1)OCC1CO1"]
["76049797","CCC1/C=C\\[C@@H](C)CN=C(O)c2c(cc(OC)cc2OCOC)/C=C/CC2OC(C)(C)OC12"]
["42716098","CC(=O)OCO[C@H]1[C@@H]([C@@H](COC(C)=O)OCOC(C)=O)OCO[C@H]1COC(C)=O"]
["83359211","CCC1CC2C(=O)C(c3nc(C)cs3)=COC2CC1OCc1ccc(Cl)c(Cl)c1"]
["88223998","CCNC1(c2nc(C(C)(C)C)cs2)CCOC1C"]
["184773882","C1C2CC3CCC4CC5CC6C7C8CC9C8C8C7C7CC%10C4%11C4C5C6C5CC6C%12%13C9CCC9C%14CC%15C%16C1C1C2C2C3%11C3CC%11C%16C(C%15%14)C%14C9%12C9CC1C%111C32C%104C57C6(C8%13)C9%141"]
["179581024","C1C2CC3C2C2C4CC5C1C(C2C4)C53"]
["168781635","C1COC2(O1)[C@H]1CC3C[C@@H]2C2C3[C@@H]2C1"]
["180361558","C1CC2C1C1CCC3CC4CC2C341"]
["32122760","C1COC2(O1)[C@H]1C[C@H]3C[C@@H]2C2C3[C@@H]2C1"]
["184162563","C1C2CC3CC4C5C6C7C8C1C1CC9C%10C8C6C68C7C7C([C@@H]5C2C346)C19C%1078"]
["179014369","I[C@@]12C3CC4CC1C1C4CC1C2C3"]
["184329441","CC(CC12C=C3CCCC3C1C2)C1CC2C3CC(C3)C12"]
["180939417","CC12CCCC3CC4C3C3C4C4CCC1C4(C)C32"]
["178881817","CC1CCC2C(C)C3C4C5CC2C(C4C5)C13"]
["179209653","C1C2C3C4CC5CC6C7C8C9C%10C(C24)C3C%10C9C8C7C2CC1C526"]
["171817020","C#CC#CC#CC#CC#COC1CCC(C2(C3CCC(OC#CC#CC#CC#CC#C)CC3)C3CCC(C4CCC5C(C4)C4CCCCC4N5C#CC#CC#CC#C)CC3C3CC(C4CCC5C(C4)C4CCCCC4N5C#CC#CC#CC#C)CCC32)CC1"]
["175447920","O=S(=O)(CF)NCCCCN1C=CN(CNS(=O)(=O)CF)C1"]
["192731627","O=C(CC1CCCC1)c1cccc(S(=O)(=O)NCCCn2cccn2)c1"]
["161473252","CCc1nccn1CCCNS(=O)(=O)N1CCC(OC)CC1"]
["54220352","CN1CC(NCCCS(C)(=O)=O)CCC1=O"]
["61010627","CN1C=CN(CCCCO)C1"]
["101648265","CCCCOc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1"]
["27872065","COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1ccccc1Cl)CC2"]
["91236281","CCCCCCC(C)OCN1C=CN(CCCCC)C1.Cl"]
["113225662","CC(C)(C)c1nc(NN)cc(NCCCNS(C)(=O)=O)n1"]
["160761309","CN1CCOC(CNS(=O)(=O)CCC2CCCC2)C1"]
["66349136","CCNCCS(=O)(=O)NCc1cc(F)ccc1F"]
["57482055","CN(C)CS(=O)(=O)NCCC(C)(C)CCn1c(=O)c2ccccc2n(CCCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)c1=O.Cl"]
["184933545","C=C(C(=N)c1cc(Cl)c(F)cc1F)C1=CC=c2ncc(=C(N)C3=BCC[B+]3)cc2[N-]1"]
["MCULE-8301690048","Cc1cc(=NC(=O)c2cc(-c3cnn(C)c3)c(F)cc2F)[nH]o1"]
["116157166","CC(C)N=C(O)c1c[nH]c(=Nc2ccc(F)c(Cl)c2)cn1"]
["122525298","CC(C)C1CN(C(=O)c2cnc(N)c(Cl)c2)CCS1"]
["49537133","OC(=Nc1ncc(Cc2ccccc2Cl)s1)c1cc(F)c(F)cc1Cl"]
["127844949","Cc1cc(N=C(O)C(c2ccccc2F)N2CCOCC2)cnc1Cl"]
["14274788","Cc1nn(C)c(C)c1[C@@H](C)C(=O)Oc1ccc(F)c(Cl)c1"]
["109318180","C[C@@H](N=C(O)COc1ccc(F)c(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2"]
["99286988","OC(=NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1ccccc1Cl"]
["128600439","Cc1c(C(=O)OC2CCOC2C)nnn1-c1ccc(F)c(Cl)c1"]
["MCULE-1724849695","Cc1nnc(N=C(O)c2cc(C)c(-c3cccc4c3cnn4C)cc2F)s1"]
["180658045","CN=C(O)c1cc(Cl)c(COc2cnc(OCC(F)(F)C(F)F)c(Cl)c2)cc1F"]
["149104238","OC(=NCc1ccnc(Cl)c1)n1c2c(c3cc(N4CCCC4)ccc31)CN(C/C=C/c1ccc(Cl)c(Cl)c1)CC2"]
["MCULE-6851913678","Cc1ccc(-c2c(C)nn(CC(=O)N3CCC(c4nc5ccc(N6CCCC6)cn5n4)CC3)c2C)cc1"]
["34116768","OC(Cn1nnc(-n2cccc2)n1)=NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1"]
["161959454","CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ccc(C3=CCN(CC4(C=O)CCCCN4)CC3)cc21"]
["7738555","CCOc1cc(CN=C(O)c2cc(S(=O)(=O)NC(C)C)ccc2F)ccn1"]
["194155270","Cn1cncc1CN=C(O)c1cccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1"]
["69082732","COc1ccc(CN=C(O)C2CCCN(c3cnc4nccnc4c3)C2)c(OC)c1"]
["53095191","COc1ccc(Cl)cc1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1"]
["MCULE-8888615253","O=C(O)C1CCN(c2ccc(-c3cc(C(=O)N4CCC(c5nc6ccc(N7CCCC7)cn6n5)CC4)cc([N+](=O)[O-])c3)cn2)CC1"]
["144172190","CCC(C)Oc1ccccc1C=CC(O)=NC1CCCN(c2ncccn2)C1"]
["19336324","C[C@@H]1CN(c2ccc(CN=C(O)Cc3cccc(Cl)c3)cn2)C[C@@H](C)O1"]
["27263113","C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(Cc1ccccc1)CC2"]
["174110078","[B]=C1C(C)=C(c2c(C)c(C)c(C)c(-c3c(C)c4c5c(c3[B+]C3=C(CC(C)c6c(C)c(C)c(C)c(S)c6C)C(C)C(C)C(C)=C3[S-])Cc3c(C)c(C)c(O)c6c3B5c3c(c(C)c(C)c(C)c3C6)C4)c2O)C(C)=C(C)C1C"]
["176375617","C[C@H](N)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5C[C@H](Nc6nccs6)CC6(CC6CNC(=N)N)O5)cc4)c(O)nc-3n2)c1"]
["183147484","COC1=C([C@@H](O)CC(C)C)CC(=O)C2=C1COCc1c(Br)c(C)c(Br)c(OCCCC(F)(F)F)c1O2"]
["177755562","C=Cc1c2[nH]c(c1C)CC1NC(C(CC(=O)O)c3[nH]c(c(C)c3C(=O)O)CC3NC(C2)C(C)=C3CC)C(CCC(=O)O)C1C"]
["189182573","Cc1cc2n[nH]cc2c(C2Cc3nc(OCC4(CN5CC[C@@H](F)C5)CC4)nc(N4CCN[C@H](C)C4)c3C(O)=N2)c1C(F)(F)F"]
["100577878","C=CCCCC(=O)CCc1cc(C(C)C)c2c(c1C)C(=O)CC(CC(CCC)C(CC)C(=O)CC(C)=O)C2"]
["173797673","CCOC(=O)[C@H](C)N(C)P(=O)(O)CCC[C@@H]1C[C@H](C)[C@H](c2ccnc3c(=N)nc[n-][n+]23)O1"]
["179499255","COC1=C(O)C(C)C(C(C)C[C-]=C(C)C[I+]C)=C(O)[C-]1OC"]
["100577894","CCCCCCC(=O)CCc1cc(C(C)C)c2c(c1C)C(=O)CC(CC(CCC)C(CC)C(=O)CC(C)=O)C2"]
["100577860","CCCCCC(=O)CCc1cc(C(C)C)c2c(c1C)C(=O)CC(CC(CCC)C(CC)C(=O)CC(C)=O)C2"]
["194266304","CCC.CCCCC(=O)CCc1cc(C(C)C)c2c(c1C)C(=O)CC(CC(CCC)C(CC)C(=O)CC(C)=O)C2"]
["97579092","CCN1C2=C(C(N/N=C(\\Cl)C(F)(F)F)C(F)(F)F)CCC2=C(C(F)(F)F)N(/N=C(\\Cl)C(F)(F)F)C1C"]
["129824606","CSCCC(O)=NN=C(O)CSC"]
["2304428","CSCCC(O)=[NH+]CCN1C[C@H](C)C[C@@H](C)C1"]
["17959463","COc1ccc(C)cc1N=C(O)CCCSC"]
["7531555","CSCC[C@H](C(O)=Nc1nc(C)cs1)N1C(=O)c2ccccc2C1=O"]
["8946380","Cc1ccc([C@@H](C)N=C(O)CCSCc2csc(C)n2)o1"]
["45155928","CSCC[C@H](N=C(O)N(C)C1CCS(=O)(=O)C1)C(=O)O"]
["127724419","CSCCCC(O)=NC1CCCN(c2cccc(F)c2)C1"]
["126886912","CCCn1cc(N=C(O)C(CCSC)N=C(O)Cc2ccccc2)cn1"]
["136930019","Cc1csc(C(C)CN=C(O)CCSc2ccc(Br)cc2)n1"]
["94891291","CSCCN(C)C(O)=NC[C@H](CC(=O)O)CC(C)C"]
["95046749","CSCC[C@@H](N)C(O)=Nc1c(C)nn(C)c1C"]
["174847332","CCCCCON=C(O)CCC.[B]"]
["178785460","C=C(NI)C([NH-])=IC12CC3CC4CC(C1)C42C3"]
["102991697","CC(C)=C1[C@@H]2CC3C[C@H]1CC(F)(C3)C2"]
["195619765","CCC1(C)CCC1(C)C(=O)OC12CC3CC4CCC1C32C4"]
["180725334","CN(CC(=O)O)Cc1cn2c(C(=O)NCC34CC5CC6CC(C3)C64C5)cccc2n1"]
["184434117","Cc1cc(S(C)(c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC12CC3CC4CC(C1)C42C3"]
["32899895","CN=C(NC)[C@]1(Cl)C[C@H]2CC[C@@H]1C2.Cl"]
["164622722","C=CC(=C)N(CC)C12CC3CC(CC)CC(C1)C2C3"]
["51040593","OC1=NC(=NC23CC4CC(CC2C4)C3)SC1"]
["MCULE-3761529574","Cl.Cl.N[C@]12CC3CC(C1)[C@](N)(C(=O)O)C(C3)C2"]
["87043376","COC(=O)C1(NCC2CC2)CC2CCC1C2"]
["103001814","C1C2C[C@@H]3C[C@@H](C2)C24CC32C14"]
["171546217","C=C(C)C(=O)C12CC3CC(CN(C3)C1)C2"]
["75341117","C[C]1C(C)=C=[N+]=C=C1C(F)(F)F"]
["162110701","Cc1c(C(F)(F)F)ccc2c1C(=O)CC2"]
["3336967","Cc1cc(C(=N)O)c(C(F)(F)F)o1"]
["51199656","Cc1ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)cc1C"]
["159293632","CCc1cc(S)c(OC)cc1OC(F)(F)F"]
["149103389","CC(F)(F)c1[c]n[nH]c1"]
["101578379","Cc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1"]
["60215577","Cc1c(Br)cc(C(F)(F)F)c([N+](=O)[O-])c1Br"]
["MCULE-5334236053","Cc1ccc(C(C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Cl)c(C)c1"]
["180932736","C#C[C@H](c1ccc(C(F)(F)F)[n+](O)c1)C(C)(C)C"]
["194682058","FC(F)(F)C1=CC(I)=C=C=C1"]
["MCULE-2762459685","Cc1nc(=O)c2cc(C(F)(F)F)cc(=O)n2[nH]1"]
["175287592","O=P(O)(O)N1C=NC=C2N=CN(C3(O)[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]3O)C21P(=O)(O)O"]
["187717840","CC(C)OCCN1c2cc[nH]c2C(=O)N(COP(=O)(O)O)C1S"]
["175841478","CN1C(C(=N)O)CC(c2nnc(-c3ccccc3)s2)NS1(=O)=O"]
["149597744","O=P(O)(O)OC[C@H]1O[C@@](O)(COP(=O)(O)O)C(O)[C@H]1O"]
["MCULE-8630956379","O=C1N=C(O)CCC1N1C(=O)c2cc3c(cc2C1=O)CC1(CCC(O)C1)C3"]
["169660484","CC(C)P(=O)(O)CC[C@@]12CO[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]2O"]
["184667422","O=S1(=O)ON2C(O)[C@H](O)[C@@H](O)[C@H](O)[C@]2(CO)O1"]
["180983695","CN1C(C(=O)O)=CN=CC1N=[N+]=[N-]"]
["199307885","Cc1nc(C2CC3CC(O)(C(F)(F)C(=O)O)CC3C2)c(C(O)=Nc2ccc(F)c(Cl)c2)n1C"]
["174112500","O=c1nc(O)c([C@@H]2O[C@H](CO)C(O)C2O)cn1CCO"]
["84913467","OC1(C2CC2)CN(c2nc(Br)cs2)C1"]
["102966230","CC1=C(C)N(O)C(=C2C=NC=N2)N1"]
["174992707","CO[SiH]1CCCS[Si](C)(C)C(C)(C)CCO1.CO[Si]1(C)CCCS[Si](C)(C)C(C)(C)CCO1"]
["163939669","COC1(SC)C2CCCCC21C"]
["93757850","CCOC1(C(N)C2CC(C)CC(C)C2)CCCCCC1"]
["78709752","[2H]C([2H])([2H])O[SiH]1OCCO1"]
["88453941","Cc1cc(C)c2[nH]c(C3(C)CCCC3)nc2c1"]
["32735940","CO[C@@]1(C)O[C@@H]2C=C[C@H](Cl)C[C@H]2O[C@]1(C)OC"]
["162747584","CON=C(O)C1(C)CCOCC1"]
["161788739","CO[Si]1(OC)CCCNCCNCO1"]
["190592073","C[SiH]1CCCCO1.C[Si]1(OC=Cc2ccccc2)CCCCO1.O=CCc1ccccc1"]
["142319903","COc1cc(CN2CCCC(C)(C)C2)ccc1OCC(=O)N1CCOCC1"]
["84081730","COC1CCCCC1(C)O"]
["73721201","CC[C@H]1CCCC[C@]1(O)C(=O)C(=O)OC"]
["79518913","CNC1=[C]C(NC)c2ccc3c(c21)[Si]3(C)C"]
["97805995","COC(=O)[C@H]1Cc2cccc3c2-c2c(cccc21)C[C@H]3C(=O)OC"]
["15031737","COc1cccc(CCN=C(O)NC[C@@H]2CCS(=O)(=O)C2)c1"]
["89527584","CNC1CC(C(C)C)c2ccc(C)cc21"]
["86393412","CNc1cc(Oc2cccc(I)c2)nc(C)n1"]
["26417541","COC(=O)C1CSC(c2cc(O)ccc2O)N1C(C)=O"]
["177622299","Cc1ccc(C2[CH]C2)c(C)c1"]
["178546782","CNc1ccc(CCN(C)C(=O)C(=O)CCCc2cccc(I)c2)cc1OC"]
["88329463","Cc1ccc(F)c(C2=CC(Cl)CC(C)(C)C2)c1F"]
["198199701","CNC1CCN(C(=O)c2cccc(C(C)C)c2)CC1"]
["196572806","Cc1ccc2c(c1=C1C=CN=CN1C)=[O+]c1c-2ccc(C#N)c1-c1ccc2c(c1)-c1ccccc1[Si]2(C)C"]
["44739628","CNc1ccc(O)c(C(C)=O)c1"]
["44873460","[2H]O[C-](N=BN([2H])C)N([2H])CN=C(O)N[B+]N([2H])C(O)=NCN=C(C)O"]
["114088250","CCN=C(O)CN(CC)c1c(Cl)cc(N)cc1C(=O)O"]
["47490143","CC(O)=NCCNC(=O)c1ccc(C(=O)O)s1"]
["92333244","CC(O)=NCCNS(=O)(=O)c1cc(Cl)cc(N)c1C"]
["146314487","CNCC(C)C(O)=NCc1cc(Cl)cc(Cl)c1OC(F)F.Cl"]
["2693954","COC(=O)CN=C(C)O"]
["21095919","CSc1ccc2c(C)cc(=NCCN=C(C)O)[nH]c2c1"]
["MCULE-4104343467","CNS(=O)(=O)CCN=C(O)C(C)=Cc1ccc(Cl)cc1"]
["134140441","CC(O)=NCCCC(=O)N(C)CCN(C)C1CC1"]
["191746380","CC(O)=NCN=C(O)CC(C)(C)C"]
["175223577","C/C=C(\\C=C/CN=C(C)O)CCCCC(N)O"]
["128388338","CCc1nnc(-c2ccc(NC(O)=NCCN=C(C)O)cc2)o1"]
["79176690","C[Si](C)(C)OC1C(O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C([SiH3])(O[Si](C)(C)C)C1(O[Si](C)(C)C)C([SiH3])=C([SiH3])[SiH3]"]
["102997364","C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C"]
["178292839","C[Si](C)(C)OC1CC12C(O)=NC21CC1"]
["56134787","CC1(OO)NC(O)=NC1O"]
["96744721","CC(=O)OC(C)(C)[C@@H]1CC[C@](C)(O[Si](C)(C)C)[C@@H](N=[N+]=[N-])C1"]
["102997365","C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C"]
["186674315","O=C1N=C(O)CCC1N1Cc2c(N=C(O)CCOCCOCCOCCOCCCl)cccc2C1=O"]
["34153557","CC1(C)C=CC(C)(C)[C@@H](O[Si](C)(C)C)C1"]
["59470054","CCC1N=C(O)CC1(C)CC(C)(C)OC"]
["57227532","CON=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC2(C)O[Si](C)(C)C"]
["84043222","CC1C2(O[Si](C)(C)C)CCCCCC12O[Si](C)(C)C"]
["56833244","C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CCN1[Si](C)(C)C"]
["179350064","CC1(C)[C@@H]2CC3OB(B4OC5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4)O[C@@H]3CC[C@H]1C2"]
["82517059","CC(C)CC(N=C(O)C(CCCNC(=N)N[N+](=O)[O-])N(C(=N)O)c1ccc2ccccc2c1)B1OC2CC3CC(C3(C)C)C2(C)O1"]
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["173966075","COc1c(CC(N=C(O)C(Cl)CCl)B2OC3CC4CC(C4(C)C)C3(C)O2)cccc1C(=O)O"]
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["103060871","C[C@@]12C(=O)OC(=O)[C@H]1[C@H]1CC[C@@H]2C1"]
["78931272","CB1OC2C3CC(CC2(C)O1)C3(C)C"]
["45210280","CC(C)C[C@H](N=C(O)[C@@H](N=C(O)Oc1cccc(-c2cccs2)n1)[C@@H](C)O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]
["349295","CCC[C@H](N=C(O)[C@@H]1C[C@@H](OC(=O)N2Cc3ccccc3C2)CN1C(=O)[C@@H](N=C(O)OCCF)C(C)(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]
["96816013","CC1=CC[C@@H](CC2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)C1(C)C"]
["187208388","CC1(C)[C@H]2C[C@@H]3OB(CCC[C@]4(C)CCN[C@@H]4C(=O)O)O[C@]3(C)[C@@H]1C2"]
["173825276","Cc1cccc2c(C[C@@H](B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)N([Si](C)(C)C)S(C)(C)C)coc12"]
["176337597","[B+]C1([B+])CC(=[CH-])N(C[N-]C)C1"]
["111105604","CC1(C)CN(CCC(=N)S)CC(C)(C)O1"]
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["23128283","CCCC12CN3CN(C1)CC(CCC)(C3)C2=O"]
["194376837","CC.C[N-]CNC1(C)CC(=[NH2+])N=NN1"]
["183383536","CCCCC1=NOC2(CCN(C(=N)O)C2)C1"]
["67311232","CCN1CC(C(=O)N2CCC(C)(C(=O)O)C2)CC1=O"]
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["199363598","C/C(=C/C(C)=N/N(C)C)[N-]N(C)C.C/C(=C/C(C)=N/[NH+](C)C)[N-]N(C)C.[Ca+2]"]
["180775611","CC=N/C(C)=C(\\C)C(=O)N(C)C(C)=O"]
["62512622","CC(C=NN(C)c1ccccc1)=NN(C)c1ccccc1"]
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["52553811","C=C[C@@H]1CN(C(C)=O)C[C@@H]1C"]
["69689794","CCC(=NN(C)C(C)(C)C)C(=O)C(F)(F)F"]
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["174202683","CC/C(C)=C/N=C(/C=C(\\C)CC)N(C)C"]
["97038279","C/C(=N\\N(C)C)C(C)[Si](C)(C)C(C)(C)C"]
["97880044","CN(C)/N=C(/O[Si](C)(Cl)O/C(=N/N(C)C)C(C)(C)C)C(C)(C)C"]
["88520001","CN(C)N=C(O)C1(CN)CC1"]
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["25257901","FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F"]
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["62567269","CC(C)(C)C(F)(F)C(F)(F)C(F)(F)F"]
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["55433688","O=S(=O)([O-])C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[K+]"]
["185298811","FCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C=C(F)F"]
["182265399","CC(C)(C(F)(F)F)C(F)(OF)OF"]
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["108425517","O=C1NSC2(N3NC(=O)C(=O)NN2C(=O)C3=O)C2(NC1=O)NC(=O)C(=O)N2"]
["171803774","C=CCN1C(=O)/C(=C/c2cc(Cl)sc2Cl)C(O)=NC1=S"]
["23633418","O=C1CCCC2(c3ccccc3)Nc3ccccc3N12"]
["142690295","Cc1cc(=O)nc(-c2ccc(N=C(O)c3cc(-c4cccs4)[nH]n3)cc2)[nH]1"]
["173779063","C=Cc1cc2c(cc1C=C)C(=O)N(C)C2=O"]
["57703522","Cc1cc(=O)nc(-c2ccc(C)s2)[nH]1"]
["183133304","O=C(Br)C1=CC=CC(Br)(Br)N1"]
["80490857","C=CCN1C(=O)C(=Cc2cc3c(cc2Cl)N(CCC)C(C)(C)C=C3C)C(O)=NC1=S"]
["23738472","C=C(Br)Cn1nc(-c2ccc(C)s2)ccc1=O"]
["191289870","CN1C(=O)C(=O)C1(C)C.II"]
["151237696","Cn1c(=O)nc(O)c2nc(C[C@H](O)c3ccccc3F)c(=O)[nH]c21"]
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["154698070","C=CN1CCN(NC#N)CC1"]
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["61371058","CNC(C#N)(CN1CCCC(C(=N)O)C1)C1CC1"]
["186493321","C1CN1[SiH2]N[SiH2]N1CC1"]
["143154845","C=CCN1CCC(N=C(O)Nc2ccc(F)c(C#N)c2)CC1"]
["42156354","N#Cc1ccc(B(O)O)c2ccccc12"]
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["45736532","C=CCCC(=C)C#N"]
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["MCULE-1397508319","CCCCN(CCO)c1nc(=NCC)nc(Nc2ccc(Cc3ccccc3)cc2)[nH]1"]
["MCULE-2741158130","CCN(CCO)c1nc(=NCc2ccncc2)nc(Nc2ccc(-c3ccccc3C)cc2)[nH]1"]
["86399054","CCN=c1nc(SC2CCOCC2)[nH]c(N(CC)CC)n1"]
["170279705","CCCN(CC(C)C)c1nc(C)nc(OC)n1"]
["MCULE-8574635884","CCCCN(CC)c1nc(=NCC(C)O)[nH]c(=NCC(C)O)[nH]1"]
["MCULE-8170355353","C=CCN(CC=C)c1nc(=NCCCCN(CC)CC)nc(Nc2ccc(CC)cc2)[nH]1"]
["MCULE-4280021137","CCCCN(CC)c1nc(=NC(=O)c2cccc(Cl)n2)n(C(C)(C)C)[nH]1"]
["113664307","CCCNc1cc(N(CC)CCOC)nc(C(F)(F)F)n1"]
["MCULE-2747595938","CCCCN(CCC)c1nc(=NCCCN2CCOCC2)nc(Nc2ccc(OCCC)cc2)[nH]1"]
["78274845","O=C(O)C1CSC(C(=S)S)(C(=S)S)N1.O=C([O-])C1CSC(C(=S)[S-])(C(=S)S)N1.[Zn+2]"]
["4120753","O=C([O-])[C@@H]1[C@H]2C(=O)N3c4ccccc4CO[C@H]3[C@]23C=C[C@H]1O3"]
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["62810922","O=C([O-])C[C@@H]1Sc2nnc(COc3ccc(Cl)cc3)n2N=C1c1ccccc1"]
["69887338","CC(O)=NC1C(O)CC(C(=O)O)NC1CF"]
["74454823","O=C(O)O.O=C([O-])[O-].c1ccc([P+](CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]
["19793170","CC[C@@H](C)C[NH+]=C(O)[C@H]1CSC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)N1"]
["98694398","O=C(S)SOC(=O)C(O)=S"]
["59160573","C[C@]12CN[C@@H](C(=O)O)[C@H]1C2"]
["91231892","COC1CSC(C)(CO)S1.O=C(O)c1ccccc1"]
["27191406","CC(O)=N[C@H](CSC(=O)c1ccccc1)C(=O)C1NC(C(=O)O)CC2CCCCC21"]
["181401209","O=C(O)C1CC2C=NC=CN2N1"]
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["34555481","c1ccc2c(c1)Cc1ccccc1C2C12c3c4c5c1c1c6c7c5c5c8c4c4c9c3c3c%10c9c9c%11c4c8c4c8c5c7c5c7c6c6c%12c%13c7c7c5c8c5c4c%11c4c9c8c9c%11c4c5c7c%11c%13c4c9c(c8%10)c5c(c4%12)c(c16)n2c35"]
["33901722","COCCOCn1c2c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%10c8c8c%10c%14c%14c%13c%13c%15c%12c%12c%11c%11c9c9c7c7c%16c9c9c%11c%11c%12c%12c%15c%15c%13c%13c%14c%14c%10c(c86)c4c4c%14c%13c6c%15c8c%12c%10c%11c9c9c%16c(c3c75)c3c9c%10c8c(c6c42)c31"]
["96558119","CC12[C]3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1c1c6c2c3c41"]
["33853992","COCCOCCn1c2c3c4c5c6c7c8c9c%10c%11c%12c9c9c7c7c%13c9c9c%12c%12c%14c%11c%11c%15c%10c%10c8c6c6c8c%10c%15c%10c%15c%11c%14c%11c%14c%12c9c9c%13c(c3c75)c3c9c%14c5c%11c%15c7c%10c8c(c64)c2c7c5c31"]
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["27771686","O=c1c2c3c(=O)n(-c4ccccc4)c(=O)c3c3c(=O)n(-c4ccccc4)c(=O)c3c2c(=O)n1-c1ccccc1"]
["97491734","c1ccc2cc(-n3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%11c%11c9c9c%15c%11c%11c%14c%14c%16c%13c%13c%17c%12c%12c%10c8c8c%10c%12c%17c%12c%17c%13c%16c%13c%16c%14c%11c%11c%15c(c5c97)c5c%11c%16c7c%13c%17c9c%12c%10c(c86)c4c9c7c53)ccc2c1"]
["56837176","c1cc2c3c(c1)C1OC1c1cccc(c1-3)C1OC21"]
["51667483","N#Cc1c2[nH][nH]c(N)c-2c(=O)n(-c2ccccc2)c1=O"]
["25455846","O=c1c2c(F)c3c(=O)n(-c4ccccc4)c(=O)c3c(F)c2c(=O)n1-c1ccccc1"]
["172513072","CCCCC=S([CH-]CCCC)[N-]C(O)=S=S=S=S=S=S=C(O)N=S(=CCCCC)=CCCCC"]
["99493183","C=C(COCCC(=CCCCC)C(=O)O)C(=O)O"]
["182330249","CCCCC=C(S)CCCN=[N+]=[N-]"]
["23756900","CCCCC(CCC(O)=Nc1ccccc1C(=O)O)C(=O)O"]
["97367472","CCCCCC=C=CCC(O)c1ccccc1"]
["197746529","CCCCCCCCN=C(O)C=CS"]
["58701094","CCCCCC(O)=N/N=C/c1ccc(OC)c(OC)c1OC"]
["58776229","CCCCOc1ccccc1N=C(O)/C(C#N)=C/c1ccc(Cl)cc1"]
["54464651","CCCCC(N=C(O)/C=C/c1cccc(Cl)c1Cl)C(=O)O"]
["181356593","CCCCC(C#CC(C)=CO[SiH](C)C)(CCCC)C(C)CCC"]
["47778584","CCCC=CC[C@H]1CNC[C@H]1N=C(O)OC(C)(C)C"]
["MCULE-2402318936","CCCCC(N=C(O)c1cccc(Br)c1)C(O)=NC1CC1"]
["98818707","CC(N)CC(C)CC(C)[NH3+].CC(N)CC(C)N.CC([NH3+])CC(C)[NH+]=C([OH2+])[NH2+]C(C)CC(C)[NH3+]"]
["188090598","CCCCCC(C)CCC(=O)C(O)(CO)C(O)(C(=O)C(C)CC(C)CC(C)N)C(=O)C(C)CC(C)CC(C)N"]
["81842505","C[C@@H](N)CCC[PH](=O)[O-].[Na+]"]
["149682714","CC(C[C@H](C)N)C(=O)O"]
["178189235","C[C@H](CBr)[C@@H](C)N"]
["63499113","CC(N)CCSCC(C)O"]
["95558463","CC(C)CN=C(O)C(C)Oc1cccc(Cl)c1CC(C)N"]
["180645161","CC(C)C[C@@H](N)[C@H](N)CC[C@@H](C)N"]
["95748085","CC(CO)SC[C@@H](C)N"]
["174994137","CC(O)C(O)C(N)CC(N)CCO"]
["67675463","CCc1ccc(CC(C)CC(C)N)cc1"]
["1096227","CC([NH3+])CC(N)C(=O)O"]
["173493976","[B+]=c1c(C)[nH+]c2c(c1C)-c1[nH+]c[n+](CCC(COOI)OP(OCCC#[NH+])N(C(C)C)C(C)[S-])c([O-])c1[S-]=2"]
["24071053","COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2OC(O)=NCCCN=C(O)C[C@@H](CC#N)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1"]
["MCULE-1286560782","CCOP(=O)(OCC)c1c(C)nn(Cc2cccc(OC)c2C)c1I"]
["187930434","CO[C@H]1CO[C@H](/C=C/P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@H]1OP(OCCC#N)N(C(C)C)C(C)C"]
["163911283","COCCOC1(n2cc(C)c(O)nc2=O)CO[C@H](C2CC2P(=O)(OC)OC)C1OP(OCCC#N)N(C(C)C)C(C)C"]
["116759045","CN=C(NCCCOc1ccc(Cl)cc1C)NC(C)CCS(C)(=O)=O"]
["152118551","COC[C@@H](C)N=C(O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1"]
["161496051","CC(C)C(=O)SCCOCCOP(OC1[C@@H](CO)O[C@@H](n2ccc(O)nc2=O)[C@H]1F)N(C(C)C)C(C)C"]
["22910269","COCC(C)N=C(O)N(C)C(C)c1ccc(S(N)(=O)=O)cc1"]
["198646012","COC[C@@H]1CC(OP(OCCC#N)N(C(C)C)C(C)C)CN1C(C)(C)C"]
["94085376","Cc1[nH]nc(NS(=O)(=O)CC(C)C)c1C"]
["32820823","COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)[C@H](OCCN=C(O)CCl)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1"]
["198251140","C=C(C)C1C(/C=C(/C)C2CC(/C(C)=C\\C3CC(/C=C\\C4CC(C(C)=C(C)C)C5C(=C)N(C)C(=C)C45)C(C(=C)C)C3C(=C)CC)C(C(=C)C)C2C(=C)C)CC(C(C)=C(C)C)C1CC"]
["178231038","C=C(CC)C1CC(C)CC1C"]
["181170689","C=C(C)C1CCC(C)=CCCC(C)=CCCC1O"]
["171978494","C=C[C@@H]1CC(/C=C/CC)CC1c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1"]
["81396213","C=C(C)C1CC(C(=O)OCC)C(CC)OC1c1ccc(C)cc1"]
["176338558","C=C(CC)[C@H]1C/C=C(/C)CC/C=C(\\C)CC1"]
["175142190","C=C1C=C[C@]2(C)C3=CC[C@@]4(C)C(C[C@@H](C)[C@@H]4C(=C)CC)C3C(C)(C)C(C)(C)C2=C1"]
["163561193","C=C1[C@H](OC(=O)C=C(C)CC)C[C@@H](C(C)C)[C@@H]2C(=CC)C(=O)C[C@@H]12"]
["90853576","C=C(C)C1CCC(C)=CCN(C)C1c1ccco1"]
["178629520","C=CC([C@@H](F)C(=C)CC)S(=O)(=O)N1CCC[C@H](CNC(O)C(C)CCCOC2=CCCCC2)CC1"]
["83525294","C=C(CCC=C(C)CO)C1CCC=C(C)C1"]
["193567912","C=CC[C@@H]1CC(=O)N(C(CC)C(=N)O)C1.CCC(C(=N)O)N1C[C@H](CC(C)=O)CC1=O"]
["99211669","COC1=C(OC)C(=[Si]=C2C=C[C-]([Si-](=c3ccc(=[Si]=c4[c+]ccc(OC)c4=[O+]C)cc3)([C-]3C=CC(=[Si]=C4[C+]=CCC(OC)=C4OC)C=C3)[C-]3C=CC(=[Si]=C4C=CCC(OC)=C4OC)C=C3)C=C2)[C+]=CC1"]
["86530111","CNCC1CCC1Cc1ccccc1OC"]
["92504006","CCCNC(C1=CCCO1)c1ccncc1OC"]
["131604495","COc1ccccc1C(CC(C)C)NC(O)=Nc1cnn(-c2ncccn2)c1"]
["68923052","COC1=C(OC)C(=[Si]=C2C=C[C-](C([C-]3C=CC(=[Si]=C4[C+]=CCC(OC)=C4OC)C=C3)[C-]3C=CC(=[Si]=C4[C+]=CCC(OC)=C4OC)C=C3)C=C2)[C+]=CC1"]
["117794233","COc1ccc(CNC(=N)NCCc2ccc(-n3cccn3)cc2)cc1OC"]
["127899830","CCN(CC)CC(O)=NC1COc2c(cccc2OC)C1"]
["154756316","COc1cccc2c1OCC(N=C(O)c1ccc3cnc(C)n3c1)C2"]
["176370567","COc1cc(-c2cnc(OC)c(C(F)(F)F)c2)c(F)cc1-n1c2c(ccc1=O)CN(S(=O)Nc1cccnn1)CC2"]
["134636794","COc1cccc2c1N(C(=O)c1cc(N3CCCC3=O)ccc1Cl)CCC2"]
["196728697","COC1=C(C)CC=CC1.COc1ccccc1C"]
["111393862","CCCNC(CCC(C)(C)OC)c1ccncc1OC"]
["174010093","[B+]=C1[C-]=C(C(C)(C)C2=[C-]C(=[B+])C(n3c4c(=[B+])cc(C(C)(C)C5=[C-]C(=[B+])C(=[B+])C(=[B+])C5)[cH-]c=4[b-]4c5cc(C(C)(C)C)[cH-][cH-]c5n(C5=[C-][C-]=C(C(C)(C)C)CC5)[c-]5cc(C)cc3c45)C(=[B+])C2=[B+])CC(=[B+])C1=[B+]"]
["174083840","[B+]C([B+])(C1=[C-]C(c2cc(C3C=[C-]C(S(C)(C)C)=[C-]C3)c(S(C)(C)C)cc2C)[N-]C=C1C([B+])([B+])C(C)(C)C)C(C)(C)C"]
["152288949","Cc1cccc(/C=c2\\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1"]
["174099296","[B+]=C1C(=[B+])C(=[B+])C(N(c2ccc3c(c2)C(C)(C)CCC3(C)C)C2[C-]=C3C4=[B-](c5cc6c(cc5N(c5ccc(C(C)(C)C)cc5C)C4=[C-]2)C(C)(C)CCC6(C)C)c2oc4c(c2N3C2=[C-][C-]=C(C(C)(C)C)CC2)C(C)(C)CCC4(C)C)C(=[B+])C1=[B+]"]
["174100533","[B+]=C1C(=[B+])C(=[B+])[C-](C2=C=C(C(C)(C)C)C=CC2N2c3cc(C)cc4c3[B-](=C3C=C5C(=C[C-]32)C(C)(C)CCC5(C)C)c2sc3cc5c(cc3c2N4C2=[C-][C-]=C(C(C)(C)C)CC2)C(C)(C)CCC5(C)C)C(=[B+])C1=[B+]"]
["76236076","Cc1ccc(-n2nc(C(C)(C)C)cc2NC(O)=NC2CCCC(Oc3ccc4nnc(C(C)C)n4c3)c3ccccc32)cc1"]
["109893325","CCOC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1"]
["29377997","Cc1cccc(C2c3ccsc3CCN2C(=O)CCC2CCCCN2S(=O)(=O)c2cc(C)c(Cl)cc2C)c1"]
["173989854","[B+]=C1[C-]=C(C(C)(C)C2=[C-]C(=[B+])[C-](n3c4c(=[B+])[cH-]c(C(C)(C)C5=[C-]C(=[B+])C(=[B+])C(=[B+])C5)cc=4[b-]4c5cc(C(C)(C)C)cc[c-]5n(-c5ccc(C(C)(C)C)cc5)c5cc(N(C6=[C-]CCC=[C-]6)c6ccccc6)cc3c5-4)C(=[B+])C2)CC(=[B+])C1=[B+]"]
["173844007","[B+]=C1[C-]=C(C)CCC1=c1ccc([C-]2C(=[B+])[C-]=C(C)[CH-]C2=[B+])cc1=[B+]"]
["164966907","Cc1cccc(/C=c2/sc3n(c2=O)C(c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1"]
["174100905","[B+]=C1[C-]=C(C(C)(C)C2=[C-]c3[b-]4c5sc6c(c5n(-c5c[cH-][c-](C(C)(C)C)[cH-][cH-]5)c5cc(C)cc(c5-4)n(C4=CCC(C(C)(C)C)=C=C4[C-]4C(=[B+])C(=[B+])C(=[B+])C(=[B+])C4=[B+])c3=CC2)C(C)(C)CCC6(C)C)CC(=[B+])C1=[B+]"]
["97248893","CC1=C[C+](c2cc(-c3cc(C)c([C-]=C4C5=CCC=C=C5[C+](c5c(C)cc(C)cc5C)c5ccccc54)c(C)c3)cc([C+]3C=C(C)C(=C=c4c5c(c(-c6c(C)cc(C)cc6C)c6ccccc46)C=C[CH-]C=5)C(C)=C3)c2)C=C(C)C1=C=c1c2c(c(-c3c(C)cc(C)cc3C)c3c1=CCC=C=3)C=C[CH-]C=2"]
["MCULE-1329766310","Cc1cc(C)c(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)c(C)c1"]
["MCULE-6654674128","Cc1ccc(C)c(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(CCN(C)C)C2=O)c1"]
["57347922","Cc1ccc(S(=O)(=O)[N-]c2cc3c4c([oH+]c3c3ccccc23)CCCC4=[OH+])c(C)c1.[H+]"]
["196476391","Cc1cc(C)c(-c2cnc3c4c(c5c(n23)=CC=C[N-]5)C=CC(OC2=C=C3c5nc(-c6ccccc6)c(-c6ccccc6)n5C5C=CC=C=C5[C-]3C=C2)=C=4)c(C)c1.[Pt+2]"]
["196014319","Cc1cc(C)c(-c2cccc(N3CN(C4(N5CN(c6cccc(-c7c(C)cc(C)cc7C)c6)c6ncccc65)c5ccccc5-c5ccccc54)c4cccnc43)c2)c(C)c1"]
["173659364","C1=CCCC(c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4c3C3CC3c3ccccc3-4)c3ccccc23)=C1.CC"]
["150313030","CCc1[pH]c(C)c(C2=CCC=C=c3c(-c4ccc(C(=O)O)cc4)cc(C(CC#N)C4CCCC4)cc3=C2)c1C"]
["166521022","Cc1cc(C)c(-c2c3ccccc3c(-c3cccc4c3P(C)(=O)CN4C(=O)C(C)(C)C)c3ccccc23)c(C)c1"]
["185949554","CC1(C)c2ccccc2-c2ccc(C3=CC(c4cccc(-c5cncc(C6=CCNC=C6)c5)c4)CC(c4cccc(-c5cncc(-c6ccncc6)c5)c4)=C3)cc21"]
["44911808","Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)c4ccccc34)cc2)cc1"]
["MCULE-3953702588","Cc1ccc(C)c(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)c1"]
["184961291","c1occ2c1c1cscc1c1c2c2c3cscc3c3cocc3c2c2c3cscc3c3c[oH+]cc3c12"]
["172779920","Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1nc(O)c1cscc12.Cl"]
["88100765","Cc1cocc1CNO"]
["162390245","C#CC(C)NCc1cscc1Br"]
["51500361","C[Se]c1cscc1[Se]C"]
["177288133","O=c1oc2ccccc2c2cocc12"]
["90096794","FC(F)c1cocc1Br"]
["172779943","COc1cc(C)c2nc(O)c3cscc3c2c1"]
["87915916","Cc1cscc1C1CCCNC1"]
["93643133","Brc1cccc2c1ccn2Cc1ccsc1"]
["91218810","CC(C)(C)c1ccc(C(C)(C)C)c2cocc12"]
["100946489","Brc1ccc2c3cscc3c3ccc(Br)cc3c2c1"]
["148808232","NN(C=O)C1CSC(CCCCB=C=C=P)C1"]
["42303885","CCN(CC)C1CSS(=O)C1.Cl"]
["97045247","COC(=O)CCCCCCCCCCCCCCCCC1CS1"]
["47792714","CCCCCN(C)C(=O)CC1CCCC(N)C1"]
["60102674","CN(CC1SCCCS1)C(=O)C(SP(=O)(O)O)C1CCCCC1"]
["83060131","CCC1CC(C)CS1"]
["26657055","CN(CC(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21"]
["55380796","C=CC(=O)SCSCCCC1CSCS1"]
["75844235","O=CC1NC(CCCF)CS1"]
["2063911","N[C@H]1[C@H](CCCCC(=O)O)SC[C@@H]1N"]
["125864867","CC1CCCC1CC(=O)N1CSCC1C(=O)N(C)C1CC1"]
["101512047","O=C(CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)ON=CO"]
["149605688","[2H]c1oc2oc([2H])c(OC(=O)On3c(O)ccc3O)c2c1[2H]"]
["174625421","O=C(On1c(-c2ccccc2)cc2c1CCC(C(=O)O)C2)c1ccccc1"]
["88101779","CC(=O)c1cnn2ccoc12"]
["177619381","COc1cc(OC(=O)OC(C)C)ccc1F"]
["82808183","NC(Cn1ccc(=O)c(OC(=O)C(N)CCO)c1)C(=O)O"]
["196880381","COC(C)c1cccn2c(Br)c(C(=O)O)nc12"]
["184878879","COc1cccc2c3c(oc12)C1=CC(O)=C(C(C)=O)C=NC1C3"]
["82093116","CCCC(C)C(=O)OC(C)CC(N)(Cc1ccc(OC(=O)OCC(C)C)c(OC(=O)OCC(C)C)c1)C(=O)OC"]
["176055916","COc1cc(-c2ccc(C(N)=O)s2)ccc1O.Cl"]
["174766890","O=C(Cl)c1ccc2c(c1C(=O)Cl)C(=O)OC2=O"]
["135336030","O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC(O)=NC2CCCCC21"]
["117172721","Cc1c(OC(=O)C(Cl)c2ccccc2)ccc2c(=O)c(Cl)coc12"]
["100423487","O=[SH](=O)NN1C=COC2N=NC=CC21"]
["9752736","O=C([O-])C1CCN(S(=O)(=O)[C@H]2CC[C@H]([C@@H]3C=CN=N3)S2)CC1"]
["116467481","CCN=C(NCCc1cn2ccccc2n1)N1CCOC(c2cnn(C)c2)C1.I"]
["16715299","O=C(C1CCN(S(=O)(=O)[C@@H]2C=C[C@H]([C@@H]3C=CN=N3)O2)CC1)N1CCN(c2ccccc2F)CC1"]
["43793416","CN(C)CCN1C(Nc2c(F)cccc2F)=NC=CC1N"]
["3098249","CCN1C=C([C@@H]2C=CN=N2)[C@@H](C)N1"]
["198094376","CC1=CNC2OC=CN12"]
["181650032","CN1C=COC(I)C1"]
["151089959","O=C1N=NC=C[C@@H]1Cl"]
["16753446","CN1[C@@H](SCC(=O)[O-])NN[C@H]1[C@@H]1C=CN=N1"]
["116466437","CCN=C(NCCc1coc(-c2ccc(F)cc2)n1)N1CCOC(c2cnn(C)c2)C1.I"]
["26041200","O=C(NN1C=COC1c1ccc(C(=O)c2cccnc2)cc1)c1ccc(C2CC2)cc1"]
["90964953","Cc1coc(Nc2c[nH]c(Nc3coc(C)c3)c2)c1"]
["8575503","Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(Nc3ccc(C)cc3)s2)cc1"]
["94499838","CCCCCCCCCCCCC(NC)c1coc(C)c1"]
["53448844","Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.[Br-]"]
["176316959","Cc1coc(CNCc2occ3c2C(=O)CCCC3=O)c1"]
["191271379","Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(CC(=O)O)ccc23)c2ccccc2)cc1"]
["148893657","Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cc(C5CC5)on4)cc3)nc(C)n2)cc1"]
["12960732","Cc1ccc2c(CC(=O)N3CCOC[C@@H]3CC(C)C)c[nH]c2c1"]
["32785827","Cc1ccccc1Nc1ccc(C(=S)c2ncccc2Cl)c(Cl)c1"]
["107876803","Cc1ccc(NC(=O)[C@H]2COCCN2)cc1"]
["115549237","Cc1ccc(N2C(=O)C(=O)/C(=C(\\O)c3c[nH]c4ccccc34)C2c2ccc(C)o2)c(C)c1"]
["93205226","Cc1cc(Br)c(NS(=O)(=O)c2cnc(=N)[nH]c2)cc1Cl"]
["169872854","C=CNC(C=CNC(C=CN/C(C=CNC(C=CNC(C=C)CC(C)(C)NC)CC(C)(C)NC)=C\\C(C)(C)NC)CC(C)(C)NC)CC(C)(C)NC"]
["178922110","C=CC(C/C=C/C)NC(N=CCN/C=C/C(C=C)C(C=C)C=C)NC=N"]
["129883064","C=CCC(CO)NC(O)=NC(C)CC(C)(C)OC"]
["1487428","C=CCSCCSc1nc(C)c(CC(C)C)c(O)n1"]
["175328674","C=CC(CC(/C=C\\C)=C/C=C\\C)NC"]
["92568897","C=CC(C)NCCC1CCCCC1"]
["32215137","C=CCC[C@@H](C)C[C@H](O)C=C"]
["170057282","C=CN/C(C(C)=O)=C(/C)[C@](C)(CC)C(CC)CC"]
["94635102","C=CC(NC)C1CCC(CCCC)CC1"]
["112291358","C=CCCC(C)NC(CCO)C(C)(C)C"]
["99324892","C=CC([Si])NC=CC(=O)O"]
["79672484","C=CC(O)CC(C)(O)C(C)C"]
["161543307","[N-]=[N+]=N[C@H](CSSCCSSC[C@@H](N)[C@@H](CS(=O)O)N=[N+]=[N-])[C@H](N)CS(=O)O"]
["181416667","CNC(N=[N+]=[N-])C(C)=O"]
["182615806","CC[C@H](C)[C@@H](CN=[N+]=[N-])C(=O)[C@H](N)CSCc1ccccc1"]
["34611206","CC(N=[N+]=[N-])C(=O)OCc1ccccc1"]
["182492308","C[C@H](N)C(=O)C(N)C(O)CN=[N+]=[N-]"]
["183121328","COC(=O)OC(COC(=O)OC(=O)OC(C)C)N=[N+]=[N-]"]
["183218851","CCc1cccc(CNC[C@@H](O)[C@H](CC2=CC(F)C(N)(C(C)=O)C(F)=C2)N=[N+]=[N-])c1"]
["183538533","[N-]=[N+]=NC(F)I"]
["184078447","CC(CCN)N=[N+]=[N-]"]
["182674310","[N-]=[N+]=NC(Cl)C(=O)[C@@H](N)Cc1ccccc1"]
["192292835","C.CC[C@H](N=[N+]=[N-])[C@H](O)C(F)(F)F.[N-]=[N+]=N[C@H](COC(=O)c1ccccc1)[C@@H](O)C(F)(F)F"]
["182580584","CCC(N)C(C12CCC(CC1)C2)S(=O)(=O)N=[N+]=[N-]"]
["97743512","[O]C1([O-])C=[S+][C@@H]2[C@@H]3C=C[C@@H]([C@H]4C=CS(=O)(=O)[C@H]43)[C@@H]21"]
["172054137","COC(=O)c1c2c(cn1C)S(=O)(=O)N[C@@H]([C@@H](C)O)C=C2"]
["23091728","CC1C=CS1(=O)=O"]
["53690944","CCCC1C(CC)C=CS1(=O)=O"]
["162519893","O=C(CO)N1CCOC(C(F)F)C1"]
["178736351","C[N+]1(C)C2CCC=CC2C2C=CCCC2S1(=O)=O"]
["92169711","Nc1cc2oc(O)nc2cc1NC1C=CS(=O)(=O)C1"]
["46195704","CC1C=CS(=O)(=O)C1C"]
["156406430","Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1C"]
["178586722","O=S1(=O)C=CC2CCCCC21"]
["151312677","Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](C)[C@H]3[C@H]2S(=O)(=O)C3(C)C)cc1"]
["154930444","CC(C)NCC12C3C=CC4C3C3C(C=CC31)C42"]
["199380687","O.O.O=[N+]([O-])c1n[nH]c(-c2[nH]nc(-c3n[nH]c([N+](=O)[O-])n3)c2[N+](=O)[O-])n1"]
["15774156","Cc1ccc(Nc2nc(C)nc(Nc3ccc(C)cc3)c2[N+](=O)[O-])cc1"]
["115029178","CN=c1nc(Nc2ccc(F)cc2C)c([N+](=O)[O-])c(C)[nH]1"]
["152144208","COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c1OC"]
["125161896","O=[N+]([O-])c1cc(C(O)=Nc2cncc(Cl)c2Cl)cs1"]
["MCULE-7157985931","N=c1[nH]n(-c2cccnc2C2CC2)c(C(F)(F)F)c1[N+](=O)[O-]"]
["98216860","O=C(O)c1ccc2[nH]c(-c3nc4cc(-c5ccc(F)cc5)ccc4nc3O)c([N+](=O)[O-])c2c1"]
["24480412","O=c1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)nc(Cl)[nH]1"]
["92066750","O=[N+]([O-])c1c(Cl)cccc1N1CCN(CC2CC2)CC1"]
["111459865","O=C(O)c1ccc(OCCn2nc([N+](=O)[O-])nc2Br)cc1"]
["44378560","C1CCNCC1.O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccccc1"]
["96220080","Cc1nn(-c2cccc(Cl)c2[N+](=O)[O-])c(C)c1Br"]
["43166131","[2H]CI=c1c(CCI)c(CCI)c(CC(I)I)n[c-]1C"]
["171593601","COc1c(C)c(CC(S)CS)c(OC)c(OC)c1OC"]
["108292358","CSc1ccc([C@@H](O)CN=C(O)c2c(F)cccc2Cl)cc1"]
["91564131","Cn1ccc(CCI)c1"]
["167433216","C[Si-](C)(C)=C1SCCCS1.ICCCI.[Li+]"]
["78746435","Clc1cccc(C(I)I)c1CI"]
["178893637","CI=c1oc(S)n[c-]1C"]
["68720067","Cc1nnc2c(CC(C)Cl)nccn12"]
["60457742","Cc1nnc2c(CC(Br)c3ccccc3)nccn12"]
["46517888","CC(=O)SC(Cc1cccc(Cl)c1CCCCI)C(C)C(=O)O"]
["94501165","Cc1nn(C)c(C)c1CC(O)COC(C)C"]
["31877799","COCc1nccc(NCCCc2c(C)cccc2C(C)C)c1Cl"]
["180116020","CSN=C1C(=N)C(C2=CC=C(Br)C(=N)C2=NSC)=C(I)C=C1Br"]
["116189271","O=C(Nc1ccccc1Br)c1ccnc(NCc2ccco2)n1"]
["178680686","C=C1C(C)=CC=C(C)C1=NSC"]
["176790210","N=C1C(=N)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=CC=C1c1ccc(N(c2ccccc2)c2ccccc2)cc1.Nc1ccnc2cc(Cl)ccc12"]
["178280946","NSN=C1CC(Br)=CC=C1Br"]
["164341209","CSC1=NC=C2C(Br)=COCC3=C2N1CC3"]
["86449048","CCNc1cc(Sc2nc(N)cc(=N)[nH]2)nc(CC)n1"]
["156331375","CN=C(NC)Nc1cc(I)ccc1Br"]
["48474956","CC1=CC=C(C2=CC=C(C3=CC=C(c4ccc(C)cc4)C3)C(=N)C2=N)C1"]
["26819564","CC(C)C=C1C=C[C](Br)C=C1"]
["170630453","CSI.Cc1ncc(Br)c(C)n1"]
["102669002","CSC1(C(O)=N[C@H](C)[C@H](O)c2ccc(Br)cc2)CC1"]
["195944177","CCCC(C)(O[N+](N)(OC(=N)O)C(CC)(CC)C(CC)(CC)O[N+](N)(N)I(CC)CC)[N+](N)(N)N"]
["177690610","CCC(C)(C)c1c(OC)cccc1C(=N)O"]
["200248391","CCCC(C)(N)C(O)O"]
["170046253","CCCCCC(C)(C)CC(C)(C)C[N+](C)(C)CC(=O)O"]
["181585525","CCCC(CC(=O)O)[C@@](CCC)(C(=O)O)N(CCC)CCC"]
["171081801","CCCC(C)(C)OOC(=O)OCCCCCCOC(=O)OOC(C)(C)CC"]
["57449693","CCCCCCOCC(C)(N)CC"]
["66843180","COCCN(CC(=N)N)C1CC1"]
["79946908","C.CCC(N)(CC)CC.CO[PH](=O)O"]
["MCULE-9305609758","CCOC(=O)[C@H](CCC(O)=C[SH](C)(C)=O)N=C(O)OC(C)(C)C"]
["173040283","CCCN(CCOC)CCC1COC2(CCC(C(C)(CC)CCC)CC2)O1"]
["98335537","C=C(CC1CCN(C)C(CCCC)C1)ONC(=N)C(C)C"]
["178193332","FC1=c2c3c(F)c(C(F)(F)F)c(F)c4c5c(F)c(C(F)(F)F)c(F)c6c7c(F)c(C(F)(F)F)c(F)c8c9c(F)c(C(F)(F)F)c(F)c%10c%11c(F)c(C(F)(F)F)c(F)c%12c(c2c2c(c%12%11)c(c%109)c(c87)c(c56)c2c34)C(F)C1C(F)(F)F"]
["183673523","[N-]=[N+]=Nc1ccc(F)c(C(F)(F)F)c1C1CCOC=N1"]
["50241015","Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-n1cccn1"]
["164581453","CCCC/C=C/C[C@H](C)C(O)=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F"]
["147773082","N=C(O)c1c(F)c(F)c(F)c(C(F)(F)F)c1F"]
["168945406","Fc1c(F)c(C(F)(F)F)c(F)c2c1SC(F)(F)C2(F)F"]
["145418035","Cc1ncc(F)c(C(F)F)c1C(F)(F)F"]
["165292712","COc1ncc(C(F)F)c(F)c1C(F)(F)F"]
["179296261","Cc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1CC#N"]
["113537901","NC1(c2cccc(Br)c2F)CCC(C(F)(F)F)CC1"]
["57192853","O=C1CCC(=O)N1c1c(F)c(F)c(C(F)(F)F)c(F)c1F"]
["52888336","Fc1c(F)c(C(F)(F)F)c(F)c(F)c1CBr.[Br-]"]
["193464014","Cc1n(O)c2c3c(c([NH+]=O)c(O)c2[n+]1[O-])[n+](O)c(C)n3[O-]"]
["8233893","Cc1c(-c2ccccc2)n([O-])c(C)[n+]1[O-]"]
["200251247","CCOC(=O)c1ccc2ccc(C(F)(F)F)cc2[n+]1[O-]"]
["195506820","CC1=CSc2nc(C)n(O)c2N1[O-]"]
["54817086","COC(=O)c1ccc2c(C)ccnc2c1O"]
["48971331","Cc1cc(C)c(C(=O)[P+](=O)OCCOCCC(C)CC(C)(C)C)c(C)c1"]
["106694036","CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)c1cc2ccc(OC)cc2n(C)c1=O"]
["124065630","COC(C)CN1CCC(C(=O)N=c2cc(C)o[nH]2)CC1"]
["75584921","COc1c(OC)c(O)c2c(ccn[n+]2[O-])c1N"]
["34132079","CCOC(=O)COc1ccccc1-c1ccc2cccnc2n1"]
["168587352","O=[NH+]c1c(O)n(Cc2ccccc2Cl)c2c(Cl)cccc12"]
["147538765","Cc1ccnc2ccc(C(=O)N3CCC(N4C(=O)COC4=O)CC3)cc12"]
["63856680","C1=Cc2c3c4c(cc2=N1)CC(=C3)CN=CC=4"]
["185772977","C1=Cc2occc2CN=C1"]
["173558079","C=C1/C=C\\c2cccnc2CN=CC=C1C"]
["172379193","Oc1ccc2c(c1)Cc1cccnc1C=C2"]
["174386745","C=CS/C(=C\\C)C1=CC=NC1.CC"]
["171992109","Cc1ccc(C2=Cc3c(cc(C)c(C)c3-c3cc(C)c([Si](C)(C)C)c(C)c3)C2)o1"]
["182406598","[N-]=[N+]=Nc1cc2c(c3c1=NN=N3)C=CN=2"]
["61226671","C1=Cc2c3c(ccc2=N1)=CN=C3"]
["82497981","O=C(O)C1=C2CN=CC=C3NN=CC(=C1)C32"]
["185751285","ClC1=CC=C2C=CN=C2C1"]
["75168674","[CH]1C=CC=c2cc3c(n21)=CC=NC3"]
["171079856","Cn1nc2nc1-c1cc(ccc1F)/C([O-])=c1\\c(F)cc3c(c1Cn1ccc(n1)OCC(F)(F)CCC2(C)c1cccc(CC2(C(=O)O)CC2)c1)C=CN=3"]
["168294223","Cn1[nH]c(C(C)(C)C)c([N-]N=C2N=NC(C(C)(C)C)=N2)c1=O.Cn1[nH]c(C(C)(C)C)c([N-]N=C2N=[NH+]C(C(C)(C)C)=[NH+]2)c1=O.[Mn+2]"]
["163241318","CC(C)C(C#N)c1cc(=O)n(C)[nH]1"]
["57895210","CC(C)(C)c1[nH][nH]c(=NN=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)c1C#N"]
["164305941","CC(C)(C)c1[nH]n(Cc2ncc(Br)cc2Cl)c(=O)c1CCC#N"]
["112211669","CCCCn1[nH]c(C(C)(C)C)c(N)c1=O"]
["MCULE-6045029360","Cn1[nH]c(N=C(O)C(C)(C)C)c(-c2ccccc2)c1=O"]
["109399258","Cn1c(=O)n2n(c1=O)[C@H]1C(C(C)(C)C)=C[C@H]2[C@@H]2C=C(C(C)(C)C)[C@@H]21"]
["168651989","Cc1cccc(N=Nc2c(N)[nH]n(C)c2=O)c1"]
["145629480","Cn1[nH]cc2c(=O)cc(C(C)(C)C)nc1-2"]
["163321391","CCC(C#N)c1[nH]n(C)c(=O)c1C"]
["127370633","CCc1nsc(N2CCN(CCCC(=O)OC(C)(C)C)CC2)n1"]
["89541163","Cn1[nH]c(C(C)(C)C)c(F)c1=O"]
["100838579","C=C(CS)/C(CS)=C(/CS)[C@H](CS)C(CS)CCS"]
["82268454","N[C@@H](CS)C(O)=NCC(=O)O.O=C(O)[C@H](CCS)N=[Se]"]
["171874348","CS(=O)(=O)c1cccc(C(O)C(O)CCS)c1"]
["178275483","C=C(F)[C@@H](CC)C(C)C"]
["75830844","Cc1csc(N[C@@H](CCS)C(=O)O)n1"]
["73515584","CC(CCS)C(=O)OC(=O)[C@@H]1CCCN1"]
["111435293","C=C(CS)COC(C)CCCCCC"]
["111435154","C=C(CS)CN1CC(C)CC1C"]
["25009714","NC(CCS)[PH](=O)O"]
["126722417","C=CCCCC(C)N=C(O)C(CC)N=c1nn[nH]n1-c1ccccc1"]
["171873539","CCn1cc(C(O)C(O)CCS)cn1"]
["171167619","C=C(CC(=O)OC(C)OC(C)(C)C)C(=O)OC(C)OC(C)(C)C"]
["58889944","FC1=C(F)C(F)=C(F)C(=[Si-]C(Cl)C(Cl)Cl)C1=[F+]"]
["162155737","NCC(F)(F)c1cc(F)cc(Cl)c1"]
["93610436","Cc1cc(Cl)c(C(Cl)c2ccc(F)cc2C)cc1C"]
["170563610","NC1=C(N)C(F)=C(F)C(=[F+])C1=[Si-]O"]
["174330126","CCC1=C(CC)C(=[Si-]C(F)(F)F)C(C(=N)O)=C(Cl)C1=[F+]"]
["24981111","[N-]=C1C(=[F+])C(F)=C(F)C(F)=C1F"]
["49376930","Fc1c(F)c(F)c([P+](Cl)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["92070361","Cc1cc(C(Cl)Cc2ncc[nH]2)c(F)cc1F"]
["67139702","CC1=C(F)C(=[F+])C(=[Si-]CC2CCC(C)CC2)C=C1"]
["101669623","OC(c1ccc(F)cc1)C(Cl)Cl"]
["34701691","[N-]=C1C(=[F+])C(F)=C(F)C(I)=C1F"]
["45837789","Cc1cc(Br)c(C(Cl)c2ccc(F)cc2)s1"]
["99588211","CCCC(CCC)CO[C@H]1O[C@H](C(O)PPPP)[C@@](O)(PPPP)[C@@](O)(PPPP)[C@]1(O)PPPP"]
["111344995","CCCC(C)OCC(O)C12CC3CC(CC(C3)C1)C2"]
["120312982","CCCC(CCO)CNCC(O)COCC(C)C"]
["148808439","CCC[C@H](CC)CCCO[Si](C)(C)C(C)(C)C"]
["154062510","CCC[C@@H](O)CC(=O)O[C@@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@H](OC[C@H](O)CCCCCCCCCCCC[C@H](O)C(=O)O)O[C@@H]2COC(C)=O)O[C@@H](CO)[C@@H](O)[C@@H]1O"]
["42730375","CCCCCC([NH3+])C(=O)OCC1OC(OC)C(OC(=O)CCCC)C1OC(=O)CCCC"]
["55217624","CCCC(N)c1nc(C(O)=Nc2cc(OC)cc(OC)c2)cs1"]
["191058217","CCCC(C)C(O)O.CCCC(C)C(O)O"]
["173717969","CCCC(OCC(C)O)OCC(C)O"]
["177230713","CCC(=O)OC[C@H](O)COc1ccc(C)cc1"]
["97567684","CCCCCCCCCCCCCC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1I)N=[N+]=[N-]"]
["181242405","CCCCCCCC(O)COCCCCCCCCCCON=[N+]=[N-]"]
["169002569","CC1(C)C=C(CS(=O)(=O)O)c2cc3c(cc2N1CCS(=O)(=O)O)[Si](C)(C)c1cc2c(cc1=C3NCC(S(=O)(=O)O)S(=O)(=O)O)C(CS(=O)(=O)O)=CC(C)(C)[N+]=2CCCC(=O)O"]
["175754524","COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(=O)[C@@]([O-])(CCCC(C)(C)OC(C)[O-])CC(=O)OC1N[I+]1)OCO4"]
["113228276","CNS(=O)(=O)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1"]
["128342928","CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCc1cc(C)sc1C"]
["177957407","Cc1ccc(CN=c2nc(O)c(NCCCCC(=O)O)c(C(=N)P)[nH]2)cc1C"]
["16838559","CC(C)c1ccc2c(c1)s/c(=N/C(=O)CCS(=O)(=O)c1ccccc1)n2C"]
["187172779","CC1(C)/C(=C\\C=C\\C=C\\C2N(CCCCS(=O)(=O)O)c3ccccc3C2(C)CCCCS(=O)(=O)O)N(CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc21"]
["193430687","Cc1ccc2c3c(cccc13)C(C=CC=CC=CC=c1c3cccc4c(S(=O)(=O)O)ccc(c43)n1CCCC(=O)O)=[N+]2CCCC(=O)O"]
["182932607","Cc1cc(-c2cc(C)c(N)c(C)c2CCCCS(=O)(=O)O)cc(C)c1N"]
["188089869","CC(N)CNc1ccc2[nH]cc(C(=O)O)c(=O)c2c1"]
["2459388","Cc1ccc(S(=O)(=O)NCCC(O)=N[C@H](C)C(=O)N2CCOCC2)cc1C"]
["147878716","CCN1CCCc2cc3nc4cc5c(cc4[o+]c3cc21)N(CCCC(O)=NCCOCCOCCOCc1cc(O)ccc1C=CC(=O)Sc1ccc(C(O)=NCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C(C)(C)CC5CS(=O)(=O)O"]
["167295099","C1=CC2=C3C=CC(=N3)C3=CC=CC(=C4C=CC(=N4)C4=CC=CC(=C5C=CC(=N5)C(=C1)N2)[NH2+]4)[NH2+]3"]
["75088145","ON=Cc1cccc2c1=NC1=CC=CC=21"]
["60640424","CCCCOC(=O)C1=C2C=CC(=N2)C(C(=O)OCCCC)=C2C=CC(=N2)C(C(=O)OCCCC)=C2C=CC(=N2)C(C(=O)OCCCC)=C2C=CC1=N2"]
["164657347","O=C1C=CC=CC1=C1C=CC=C(c2cccc(-c3ccccc3O)c2)N1"]
["181411642","CC(C)(O)CC=C1C=CC=C(CC(=N)O)N1"]
["120157764","COC(C)(C)C1=N/C(=C2/C(=O)C=CC=C2O)ON1"]
["49629085","C=CCC1=CC=CC(=C2C=CC=C(C3=CC=CC(=C4C=CC=C(CC=C)C4=O)N3)N2)C1=O"]
["65603712","CCN1N/C(=C2/C=CC(c3ccc(C(=O)O)cc3)=N2)C=C1C(C)C"]
["68130777","CC(=O)O.CC(C)(C)C1=C/C(=C2\\C=CC=C(C3=CC=C/C(=C4\\C=C(C(C)(C)C)C=CC4=O)N3)N2)C(=O)C=C1.[Mn]"]
["48052273","O=C1C=CC=C2N=NN(CO)C12"]
["110908710","Cc1cc(C)c(C2=C3CCC(=C4C=CC(=N4)C(c4c(C)cc(C)cc4C)=C4CCC(=C5C=CC2=N5)N4)N3)c(C)c1"]
["172491841","Oc1ccccc1C1=NC(=C2C=CC=C(c3[c-]cccc3)[N-]2)c2ccccc21.[Au]"]
["156393278","C/C(=C(/N)I)c1c(N)c(I)c(I)c(I)c1[I+][I+]/C(=C(/N)I)c1c(I)sc(I)c1N"]
["165834810","Nc1c(I)sc2cccc(B(O)O)c12"]
["111788909","CCC(=O)c1sc(NC2CCN(C)CC2)c(C2CC2)c1N"]
["163232327","COC(=O)Cc1cccc2c(I)c(O)sc12"]
["26447723","CCOC(=O)c1c(I)c(N)c(I)c(N(CC)C(C)=O)c1I"]
["113733101","CC(O)C1CCN(c2sc(C(N)=O)c(N)c2C2CC2)CC1"]
["111785496","CN=C(O)c1c(NC2CCCC2)sc(C(N)=O)c1N"]
["112683210","CCOC(=O)c1c(NC(C)(C)C2CC2)sc(C(C)=O)c1N"]
["112609541","CCC(=O)c1sc(NCC(COC)OC)c(C(=N)O)c1N"]
["74311640","CC(=O)OC(C)C(=O)OC(=O)c1c(I)c(N)c(I)c(C(=O)O)c1I"]
["169697746","Cc1c(C)c(N)c(I)c(N)c1C"]
["111783993","CCN(CC1CC1)c1sc(C(=O)NC)c(N)c1C(O)=NC"]
["97463733","C[Se]c1cc2c3c(c1)Oc1cc([Se]C)cc4c1N3c1c(cc([Se]C)cc1[O+]4)O2"]
["176346972","CN1c2ccccc2Oc2cc3c4ccccc4n(C)c3cc21"]
["164540599","C=C1CCN(C(=O)OC(C)(C)C)Cc2c(O)ccc([N+](=O)O)c21"]
["MCULE-9669498291","COc1cccc(C(=O)N2CCOc3ccc(-c4c(F)cccc4OC)cc32)n1"]
["101172913","CCN1C(=O)c2ccccc2Oc2cc([N+](=O)O)ccc21"]
["MCULE-6922466167","COc1cccc(OC)c1C(=O)N1CCOc2ccc(-c3c(OC)cccc3OC)cc21"]
["87554031","CN1C(=O)COc2ccc(-c3cc(C#N)c(N)o3)cc21"]
["186711832","Cc1cc(O)c(CN2c3c(C)cc(-c4cccc5c4-c4ccccc4C5(C)C)cc3Oc3cc(-c4cccc5c4-c4ccccc4C5(C)C)cc(C)c32)c(O)c1"]
["114467940","Cc1cc(-n2c(O)nnc2O)cc(C)c1Br"]
["207365","Cc1cc2c(c(S(C)(=O)=O)c1)N(C)C(=O)c1cccnc1O2"]
["172100757","[C-]#[N+]c1cc(O)c2c(c1)OCCN(C(=O)OC(C)(C)C)C2"]
["64585150","CCN1C(=CC=Nc2ccccc2)Oc2ccc3ccccc3c21"]
["100208657","C1=NC2=C3NNNC3=CCC2=N1"]
["46345330","CC1=NC=N/C1=C1\\NN=C(Nc2ccc(Cl)cc2)S1"]
["193571033","O=C1CC=Nc2c1cc1n2CCCC1"]
["107792094","N[C@H](CO)C1=NNC(=C2N=CN=C2C(=O)O)O1"]
["162053543","COC1=C(OC)C(OC)=C2C(=O)N=CN=C2C1"]
["162298696","O=C1CC(N2CCC(O)CC2)=NC=N1"]
["83338035","S=C1N=CN=C2CCCC12"]
["103035842","O=C(O)C1=NC=NC1=C1Nc2ccccc2N1"]
["161776788","CC1C2=CCC3=C2C(=C2N=CN=C2C3)C=C1c1ccco1"]
["119227639","NCC1CC2=NC=NC2=C2NNC(C(=O)O)=C21"]
["182925924","C1=NCC2=NC=C(Cc3ccsc3)C2=N1"]
["83287172","O=C1N=CN=C2C1N=C1CCCN12"]
["169737753","CC1=[C+]C(C)=CC(C)(c2cccnc2)[C]1B(C1=C(C)C=C(C)[CH-]C1(C)c1cccnc1)C1C(C)=CC(C)=CC1(C)c1cccnc1"]
["125801808","CN(c1cccnc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl"]
["140761117","COC(=O)c1oc(C(C)N2CCC(Oc3cccnc3)C2)cc1C"]
["126545394","CC(NC1CCC(O)(c2cccnc2)CC1)c1ccc(Cl)c(Cl)c1O"]
["187561427","CCN(C(=O)OCc1cccnc1)C(c1[nH]cnc1C)C(C)C"]
["60120101","CC1CCCCC1OCC(O)CNCCc1cccnc1"]
["96115135","CC(CCC(C)(C)C)NCc1cccnc1"]
["150295626","CN1CCN(CCCOC2(c3cccnc3)CCN(C(=O)O)CC2)CC1"]
["18849534","Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1"]
["8770324","Cc1cc(C(=O)NN=C(O)[C@@H]2CCCO2)cc(C)c1OCc1cccnc1"]
["121689252","CC(C)CCN(CCC(C)C)C(O)=NC1CCC(O)(c2cccnc2)CC1"]
["173201586","CC(C)[C@@H]1CCCC[C@H]1c1cccnc1"]
["181101610","F[C-](F)F.OC1=N[N-]CCCC1.[Ir]"]
["174914196","CC(C)CCCBr.OC1=NCCC1"]
["26844573","C=CCCn1c(O)c2c(c1O)CCCC2"]
["192812554","CCCC[N+](CCCC)(CCCC)CCCC.OC1=NCCC1"]
["56705270","C1=CCCC1.OC1=NCCC1"]
["194157210","FN(F)C1=C(N(F)F)CCCCC1"]
["112372133","OC1=NCC2(CCc3ccc(Cl)cc32)C1"]
["73718693","C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(O)=NC(C2CO2)C1"]
["188250385","CCC1(C(C)C)CCC(O)=N1"]
["81941401","NCC1CC(O)=NC(N2CCCCC2)N1"]
["172367698","COC1CC(C)N=C1O.[HH]"]
["64852256","C=CNC1CCCCC(O)=N1"]
["99335441","OB=c1cc2c3c([cH-]c(=BO)cc-3[cH-]1)c1cc([B+]O)cc3cc([B+]O)cc2c31"]
["167320768","COC(=O)C(CN1CCN(C)CC1)C(O)c1cc(N)c2ccccc2n1"]
["176294634","CC(=O)c1nc(Br)cc2c1c1c(c3c(C(C)=O)nc(Br)cc32)C(F)(F)C(C)(F)C1(F)F"]
["56866550","Cc1coc2cnc(CO)cc12"]
["184317157","[CH2-]N(O)c1cccc([B+]O)c1"]
["175210694","[B+]=c1cc2c3c([cH-]c(=[B+])cc-3[cH-]1)c1cccc3cccc2c31"]
["100193206","[O-]C1=CC(=BO)C(=NNc2cccc([B+]O)c2)C=C1"]
["174393898","CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)C(C)(C)C(=O)C3C"]
["153464484","CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)[C@H](C)C(=O)C3(C)C"]
["103793913","Cc1coc2cc3o/c(=N\\O)cc(C)c3cc12"]
["164492768","O=C(O)c1ccc(-c2cc3cc(-c4ccc(C(=O)O)cc4)cc4c5cc(-c6ccc(C(=O)O)cc6)cc6cc(-c7ccc(C(=O)O)cc7)cc(c(c2)c34)c65)cc1"]
["174026488","OB=C1N=CN=C([B+]O)[N-]1"]
["161922676","BrC1=Cc2nc3nc(nc4ccc([nH]c5nc(nc1n2)C=C5)[nH]4)C=C3"]
["66174909","N=c1nc(-c2c(F)cccc2F)nc(-n2cncn2)[nH]1"]
["155221516","Cc1ccc2c(ccc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c32)n1"]
["163792810","O=C(c1cc2ccccc2[nH]1)N1CCOC(c2nn[nH]n2)C1"]
["116996436","COc1ccc(C(=O)N2CCC3(CCCCOCCN=C(O)c4ccccc4OC3)CC2)cc1"]
["100249120","COc1ccccc1-c1c(-c2ccccc2OC)c2[nH]c1[nH]c1c(-c3ccccc3OC)c(-c3ccccc3OC)c(nc3nc([nH]c4c(-c5ccccc5OC)c(-c5ccccc5OC)c([nH]2)n4-c2ccccc2OC)C=C3)n1-c1ccccc1OC"]
["53439973","O=C(c1ccc2c(c1)=CC(=C1C=CNN1)N=2)N1CCCCC1"]
["2934644","O=C(c1ccc2nn[nH]c2c1)N1CCO[C@H](c2ccc(Br)cc2)C1"]
["162851730","S=c1nc2c(Br)cccn2[nH]1"]
["157475612","Cc1nn(-c2ccc(C(=O)N3CCN[C@H](C)[C@@H]3C)cc2)c(C)c1Br"]
["186031102","NC1[C@H]2CN(Cc3ccc(-n4ccc(=NC(=O)N5CCNCC5)nc4O)cc3)C[C@@H]12"]
["93105212","CC(C)(O)CN=c1cc(Br)nc(C(C)(C)C)[nH]1"]
["50219753","O=C(O)CC[Ge]1=[O+][Ge-](CCC(=O)O)O[Ge]2(CCC(=O)O)O[Ge-](CCC(=O)O)[O+]=[Ge](CCC(=O)O)O[Ge](CCC(=O)O)(O1)O2"]
["26323471","O=C(O)CCC1CCCCC1O"]
["178022098","O=C(O)CCCC(=O)OOC(=O)c1ccc(C(=O)O)cc1"]
["100134855","CCC[N+](C)(C)N(C)CCC(=O)O"]
["171905900","N=c1cc[nH]cc1.O=C(O)CCCC(=O)O"]
["189893282","O=C(O)CC[NH+]1Cc2ccc(C#Cc3cc(F)cc(F)c3)cc2C2(CC2)C1"]
["56654036","N#CCCN(CCC#N)C(=O)CCCC(=O)O"]
["98281059","O=C(O)CCCN1N=CCO1"]
["81649262","O=C(O)CCC(=O)C1CCC(=O)O1"]
["89561360","O=C(O)CCOC1CN(C(=O)C(F)(F)F)C1"]
["197916464","CN(CCCC(=O)O)C1(C(=O)O)CC1"]
["8013365","Cc1ccc(CNCCC(=O)O)s1"]
["163632170","O=C(O)C1C2=CC=CC34Cc5cc6c7c8c5C(C5=C9C%10=C%11C%12=C%13C(=CC%14=CC%15=CC=CC%16(C(=O)O)CC%17=CC%18=CC(C(=O)O)(C=C6)C7C6=C%18C7C(=C%11C6C98O)C%13(O)C%14C(=C%15%16)C%177)C(O)C=C%12C(O)C%10=CC51)C23O4"]
["169403877","Cc1cc(C)n2c1C=C1C=CC(CCC(O)=NCCCn3cc(CN4C(=O)C5CC=C([C@@H]6C[C@@H](OC(=O)CCl)[C@]7(C)[C@H](C)CC[C@]8(C[C@H](O)C(=O)[C@]87O)[C@H]6C)CC5C4=O)nn3)=[N+]1[B-]2(F)F"]
["178766567","Cc1ccc(O)cc1N=c1ccnc(Nc2cccc(C(O)=NCCN=C(O)C3=CCC(C4C5C=CC(=O)C=C5OC5=CC(O)CCC54)C(C(=O)O)=C3)c2)[nH]1"]
["CNP0436419.1","CC(=O)O[C@@H]1[C@@H](C)O[C@@H](c2ccc3c(c2O)[C@H](O)C24O[C@]2(C3=O)[C@@]2(O)C(=O)C=C(C)C[C@@]2(O)C[C@@H]4O)C[C@H]1OC(=O)CCCCCCCCC(O)=Nc1c(O)c2ccc(O)c(C)c2oc1=O"]
["177506453","O=COC1=C2C=C3C4=C5C6=C7C8=C9C%10C%11=C%12C%13=C%14C%15C(=C[C@H](C(=O)O)c%16cc%17cc(C(=O)O)c%18c%19c%17c(c%16%15)[C@@]%15(OC%15%16C9C9C%15=C%17C(=CC=C(C%17[C@]4(O)C79)[C@H]3OC=O)[C@H](C(=O)O)[C@@]3(C%18)O[C@@]%153C%19%16)C%14%10)C3=C[C@@H](C(=O)O)C4=CC=C7C=C9C(OC=O)=C%10C=C%14C%15=C%16C(=C6C6C%15C(=C[C@H]%14OC=O)[C@H](OC=O)C(=C1)[C@@]61O[C@@]251)[C@@]8(O)C%11C(C%10%16)C9[C@]%121OC71C4=C3%13"]
["81142509","C=CCc1cc2ccc3c4c2c2c1C1C(O)C=C5CCCCCCC6=CC(O)C78C(=C3)Cc3cc9cccc%10c9c(c37)C(=C2C648)C5%101"]
["70004277","Cc1cc2ccc1C(C)NCC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)C2NC1=CC2C(=O)N=CC=C2C=C1"]
["175625293","[B+]=C1C2=C3C4C=C5C(C(=O)O)=c6ccc7c8c6=C6C9=C%10C8C8%11O[C@@]8%12C(=CC8=C%13C%14C(=CC%15C(C(=O)[O-])C%16=CC(O)C%17CC%18=C(CC(/C=C\\2C(O)C4)C(O)C%18)C2C4C%18=C(C%15C%14%15O[C@]%15(C%18=C9C(=C14)C3(O)C56)C%10C%13%12)C%16[C@@]%172O)CC8O)C(C(=O)O)CC%11C7O"]
["195047627","CC(C)CC1=CC[C@]2(C)[C@@H](O)CC[C@@]34C5=C6C[C@@]1(C=C1C(=c7ccccc7=C[C@H]13)Cc1cccc(c1)C1=CC=C(NCCC[C@@H](C3CCCCC3)/C(=C/O)CC[C@@H](C(=O)O)[C@@]37C=C[C@@H]8[C@@H](CC[C@@]89CC[C@@H](CCc8ccccc8)C9)[C@@]6(C[C@H]3O)[C@]7(C)CC5)NC1)[C@@H]24"]
["164111639","CNc1[nH]c(=N)nc2c1ncn2[C@@H]1O[C@](F)(COP(=S)(Cc2cccc3ccccc23)N[C@@H](C)C(=O)OCC(C)(C)C)CC1C"]
["78528929","O=C(O)C1=Cc2cc3c4c5c2C2C1CC16OC17C1=C8C(=CC=C9C(C(=O)O)C%10=CC%11=C(C(=O)O)C=C%12C(C(=O)O)C%13=CC(C(=O)O)C%14=CC%15=C(C(=O)O)C%16=CC%17=CC=C%18C%19=C%20C(=CC%18C(=O)O)C(=CC3C(=O)O)C4C3=C%20C4=C%18C%20C%21=C%22C%23=C%24C%25=C%26C(=C%14C%13C%25C%12%13OC%11%13C%24=C%10C(O)(C98)C%23C1C%21C1(OC51C3%20)C27)C%15C(C%18C%26%22O)C%16C41OC%17%191)C6C(=O)O"]
["195046113","CC(=O)OC1C(C)OC(c2ccc3c(c2O)C(O)C24OC2(C3=O)C2(O)C(=O)C=C(C)CC2(O)CC4O)CC1OC(=O)CCCCCCCCC(O)=Nc1c(O)c2ccc(O)c(C)c2oc1=O"]
["83131711","CCC(C)=C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N)C(C)C)C(C)CC)C(C)(C)O)C(C)(C)O)C(O)=NC(C)C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NC(CN(C)C)C(C)C)=C(C)C)C(C)C)C(C)C"]
["2943102","CC[C@@H](C)N=C(O)[C@@H](C)N=C(O)N=c1cc(C(C)(C)C)o[nH]1"]
["58509280","COC(=O)C(N=C(O)C(C)(C)N=C(O)C(C)N=C(O)OC(C)(C)C)C(C)C"]
["7199345","CC[C@H](C)[C@H](N=C(O)OC(C)(C)C)C(O)=NCCC(=O)N1CCCC[C@@H]1C"]
["88455904","CCC(O)=NC(C)CN(C)C"]
["175363964","CC.CC[C@@H](/C=C/C(=O)N1Cc2ccccc2C1)N=C(O)[C@H](C)N=C(O)OC(C)(C)C"]
["17094173","CC[C@@H](C)[C@@H](N=C(O)OC(C)(C)C)C(O)=Nc1ccc(OC)c(OC)c1"]
["178717452","CC/C=C(\\CC)C[C@H](N=C(O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)CCCC[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](N=C(O)[C@H](C(C)C)N(C)C)C(C)C)C(=O)O"]
["267300","CC[C@@H](C)[C@H](N=C(O)[C@@H](S)[C@H](N)CCS(=O)(=O)O)C(O)=N[C@@H](CC(=O)O)C(=N)O"]
["82428613","CCCC(N=C(O)C1C(C)C(C)CN1C(=O)C(N=C(O)C(N=C(O)c1cnccn1)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC(C)CC"]
["155414660","CC[C@H](C)[C@@H](N=C(O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(O)=N[C@H](C)C(O)=Nc1ccc2c(C)cc(=O)oc2c1"]
["66782667","CCN(CC)C(=O)c1ccc(Cl)c(N=C(O)C(C)N2CCC(C(O)=NC(C(O)=Nc3ccc(Cl)cc3C(O)=NC)C(C)C)CC2)c1"]
["180240921","C1C2CC3C4C5C(C6CC78C9CC9C7C68)C1C2C354"]
["178409132","C1CC23CC1C1C(C2)C13"]
["180082873","CCCC1C2CC3C4CC5C(C2)C2(C)C1C3C452"]
["180215884","C1C2CC34C5CC6CC7C8C1C2(CC5C673)C84"]
["161495289","CC(O)C1CC2CC1C1C3CC(C21)C(C)(CO)C3"]
["180177174","C1CC1C1C2CC1C(C1C3C4CC413)C2"]
["174567027","CC12CC1CC[C@@H]1CC12"]
["98679839","CC12CC1C1CC3C1C32"]
["180481475","CCC1C(C)C2C3C(C)C4C5CC(C1CC)C1CC6C7C8CC(C5)C84C73C162"]
["44237216","BrC1(Br)C2CC3C(CC21)C1CC2C(CC31)C2(Br)Br"]
["180025946","C[C@]12C3CC4C5CC6CC1C1C4C5C1C1C(C3)C2C61"]
["179771446","CC1C2C3C4C5C6CC7CC8CC5C5C9C%10C%11CC6C45C39C2%10C1%11C78"]
["97888588","CC/C(C)=N/CCNCCNCC(=N\\O)/N=C(C)/C(C)=N/O"]
["173247651","C=C(C)CNCCOSI"]
["99762289","CCCCCCCCCC(C)=NCCC"]
["79015128","CC/C(C)=N/O.CC/C(C)=N/O.O=C(O)C(=O)O"]
["5598487","Cc1cc(C)c(S(=O)(=O)NCCN=C(O)C2CC2)c(C)c1"]
["88622597","CN(C)C(O)=NCCNCC1CCOC1"]
["148209930","CCCNCCN=C(O)c1cc(N)ccc1C"]
["84855185","CCCNCC(C)=Cc1ccoc1"]
["63726762","CCOCCN=C(O)N=C(O)/C(C)=C(/C)C(=O)O"]
["185281976","CCCNCCC(CC)=C(C)C(=O)[O-]"]
["150064709","CCC(C)=C(N=C(Cl)N=C(C)N1CCOCC1)N1CCOCC1"]
["168371767","CCC(=NC)/C(CC)=N/O"]
["31444232","C(#CC12CCCN1CC2)c1ccno1.C(=CC12CCCN1CC2)c1ccno1"]
["115100607","COc1cccnc1C(O)C1(N2CCCC2)CCCC1"]
["MCULE-8468261873","Cc1noc(C)c1C(=O)N1CCCC2(CCN(Cc3ccnn3C)C2)C1"]
["112390415","CN1CCCC2(C1)NC(CN)Cc1nc[nH]c12"]
["182901986","FC1(F)CCC(Cn2c(Br)cc3ncccc32)CC1"]
["120744575","CNCC1(C)CCCN1C(=O)Cc1ccccn1"]
["25677630","O=C(CC1CC1)N1CCC[C@](CC2OCCO2)(c2ccc(Cl)c(Cl)c2)C1"]
["176368200","CC(O)c1nccn1Cc1cc(-c2ccc(C#CCCN3CCN(C)CC3)cc2)on1"]
["190001620","CN1CCCCc2c(C#CC3(C(C)(F)F)CC3)cccc21"]
["175976060","CC(C)(C)C1C2=CCCN2[C@@H](c2ccn(C3CCCCO3)n2)[C@H]1CO"]
["84594830","CNC(c1ccnn1C)C1(N(C)C)CCCCCC1"]
["159376699","N=C(O)N1CC[C@@H](c2ccno2)C1"]
["178784970","CN(C)CCCNc1ccc(Br)cc1NCN(C)CCNc1ccc(Br)cc1N"]
["MCULE-3362908308","COCCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(NCCCN(C)C)ncnc21"]
["MCULE-4321074736","Cc1cc(Br)ccc1NC=C(C#N)C(O)=NCCCl"]
["96192956","CCCNC(CCc1ccc(Br)cc1Cl)C(C)(C)C"]
["162728399","Nc1cc(Br)ccc1Nc1cnn(Cc2ccccc2)c1"]
["49084179","Cc1ccc(NCCCCOc2ccccc2C)c(C(=O)O)c1"]
["50565401","N#Cc1ccccc1CS(=O)(=O)Nc1cc(Br)ccc1Cl"]
["148553559","CN(CCCNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1)Cc1ccccc1"]
["94273955","COc1cc(N)cc(CN(C)CCSC)c1"]
["94093115","Cc1ccccc1NCCn1cccc(Br)c1=O"]
["96232475","Nc1cc(S(=O)(=O)N(CCO)C2CCCCC2)ccc1Br"]
["163727790","N=C(C1=CCNC(N2CCOCC2)=C1)c1cc(Br)ccc1N"]
["77013602","CC[N+](C)(CC)CCSc1c(Cl)c(OCCC(C)C)c2c(c1OCCC(C)C)C1=NC2=NC2C3C(OCCC(C)C)C(SCC[N+](C)(CC)CC)C(Cl)C(OCCC(C)C)C3C3NC4C5C(=C(NC6=NC(=[NH+]1)C1=C(OCCC(C)C)C(Cl)C(SCC[N+](F)(CC)CC)C(OCCC(C)C)=C61)N4ON23)C(OCCC(C)C)C(SCC[N+](C)(CC)CC)C(Cl)C5OCCC(C)C"]
["49137318","C=C[C@H]1C[C@]1(N=C(O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)N=C(O)O[C@@H]1CCCC[C@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)C(O)=NS(=O)(=O)C1CC1"]
["171145676","CCCCOc1c(F)c2c(c(OCCCC)c1OCCCC)C1=NC3=C=C(/C(F)=C(/F)[C-]=[F+])[C-](N=C4[NH+]=C(N=c5c6c(F)c(F)c(F)c(F)c6c(n5OCCCC)=NC2=N1)c1c(F)c(F)c(F)c(F)c14)N3.[Zn]"]
["198733854","CCc1c2c(nc3ccc(OCN(CCS(C)(=O)=O)C(=O)OCc4ccc(CC(=O)[C@H](C)N=C(O)[C@@H](CC(=O)CCCCCN5C(=O)C=CC5=O)C(C)C)cc4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]
["105025256","CCCSC1=NC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)N2N1"]
["109107423","COC(=O)C1=C(C)N=C2N=C(SCc3ccccc3Cl)NN2[C@H]1c1ccc(OCc2ccccc2C)cc1"]
["105030654","CCCCOC(=O)C1=C(C)N=C2N=C(SCC)NN2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1"]
["185940053","Cc1ncsc1-c1ccc(CN=C(O)[C@@H]2C[C@@H](O)CN2C(=O)C(N=C(O)COCCOc2cc(-c3ccc([C@@H](C)N=C(O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)cc3)ccn2)C(C)(C)C)cc1"]
["MCULE-3808269239","COc1ccc(C2C(C(O)=NCCC(C)C)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)c(OC)c1"]
["193055066","CCCSc1nc(Cl)c(N)c(=NC2C[C@H](OCC(=O)OCC)[C@H]3OC(C)(C)O[C@@H]23)[nH]1.CCCSc1nc(Cl)c2nnn(C3C[C@H](OCC(=O)OCC)[C@H]4OC(C)(C)O[C@@H]34)c2n1"]
["76073289","C#CC(c1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccccc1Br)[N+]([O-])(OC)C(=O)c1ccccc1"]
["109110426","CC1=C(C(O)=Nc2cccc(C)c2C)[C@H](c2ccc(OCCc3ccccc3)cc2)N2NC(SCc3ccccc3)=NC2=N1"]
["168505876","C1=CC(=[Ge]=C2SC=CC2=S=C2C=CSC2=[Ge]=C2SC=CC2=S=C2C=CSC2=[Ge]=C2SC=CC2=S=C2C=CSC2=[Ge-]c2cccs2)[S+]=C1"]
["52078650","CC(C)C(NC(=N)C1CC1)c1cccs1"]
["103342069","Cc1ccccc1CN[C@@H](C#N)c1cccs1"]
["114650212","CCC(C)CSCCNC(C)c1cccs1"]
["179264787","NC#Cc1cccs1"]
["95464603","Cc1ccccc1CCC(NN)c1cccs1"]
["145717157","FC(Cl)(Cl)Sc1cccs1"]
["77632951","O=C(C=C([O-])c1cccs1)C(F)(F)C(F)(F)C(F)(F)F"]
["119653961","OC(=Nc1ccc(=Nc2ccccc2Cl)[nH]n1)c1cccs1"]
["154976038","F[C@@]1(c2cccs2)CCNC1"]
["3760216","CCc1nc(SCC(=O)N(C)[C@H](C)c2cccs2)n[nH]1"]
["MCULE-3331005075","COc1ccc(Nc2cc(N3CCN(C(C)c4cccs4)CC3)nc(C)n2)c(C)c1"]
["173176435","c1c[n+](-c2pn[nH]c2-n2cnc(-n3cnpc3)p2)[pH]n1"]
["31809209","CC(OC(O)=NC1CCC(n2cnc3c[nH]c4nccc-4c32)CC1)C1CC1"]
["74708175","CC(C)CN[C@H]1CC[C@H](n2cnc3c[nH]c4nccc-4c32)CC1"]
["153051290","Cn1nnnc1Sc1ccnc2ccc(F)cc12"]
["194744929","CCCS(=O)(=O)NC12CC(n3c(C(C)O)nc4c[nH]c5nccc-5c43)(C1)C2"]
["75914412","O=CN1CCC(n2cnc3c[nH]c4nccc-4c32)CC1"]
["75368525","COCCC(O)=N[C@H]1CC[C@H](n2cnc3c[nH]c4nccc-4c32)CC1"]
["28871833","O=C(NC1CCC(n2cnc3c[nH]c4nccc-4c32)CC1)c1ccncc1"]
["27522604","c1ncc(CN2CCC(n3cnc4c[nH]c5nccc-5c43)CC2)cn1"]
["178700353","CCCS(=O)(=O)NC12CC(n3c(C)nc4c[nH]c5nccc-5c43)(C1)C2"]
["101171175","Cc1cc(C[n+]2ccn(-c3ncccn3)c2)n[nH]1"]
["175447005","O=S(=O)(C1CC1)N1CCCC(n2cnc3c[nH]c4nccc-4c32)C1.[HH]"]
["173100249","CCCCN=C=C[P+](=CC#[N+]CCCC)CC#[N+]CCCC"]
["4078147","CCCC/N=C1\\C/C(=N\\CCCC)c2ccccc21"]
["11791233","CCCCN=c1[nH]n2cc(-c3ccccc3)nc2s1"]
["79155089","CCCCC[N+](CCC)(CCCCC)CCCCC.[OH-]"]
["93367141","CCCCN=C(NN)NCC1CCOCC1"]
["63460361","CCCCCN=c1nc(C)[nH]s1"]
["57905863","CCCCN=C/C(C)=C/C=C/N(CC)CC"]
["180168963","CCCC[N+]#CC1CC1"]
["17412984","CCCCN=C(O)[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccccc2C#N)C1"]
["125781777","CCCCN=C(O)C1CCC(C)N(CCCOCC(F)(F)F)C1"]
["131000121","CCCCCN=C(O)C(C#N)C(=O)C=Cc1ccccc1"]
["90986174","CCCCCC=C=C=C(C)Br"]
["150559923","N=c1nc(O)c2ncn(C3=C4O[PH](O)(O)OCc5oc(N6CN[C@H]7C(O)=NCNC76)c(F)c5O[PH](O)(O)O/C=C(/O3)[C@H]4F)c2[nH]1"]
["170102153","COP(O)(=S)OC1CC(n2c(COP(O)(=S)O[C@@H]3C[C@@H](C)OC3n3cnc4c(O)nc(=N)[nH]c43)nc3cncnc32)C1"]
["26756257","CCCCCCCCCCCCSC(CCCCCCC)C(C)OOP(=O)(OCCC)OC[C@@H]1CC[C@H](n2cnc3c(O)nc(=N)[nH]c32)O1"]
["28871439","CC1CCCCN1CCCN=C(O)CCn1cnc2c(O)nc(=N)[nH]c21"]
["175203535","C=C1[C@H](CO)[C@@H](O)C[C@@H]1n1cnc2c(O)nc(=N)[nH]c21.CN(C)c1ccncc1"]
["100305197","OC[C@H]1O[C@H](n2c(O)nc3c2NC2=NCCC(N=c4nc(O)c5ncn([C@H]6C[C@H](O)[C@@H](CO)O6)c5[nH]4)N2C3)C[C@@H]1O"]
["149966517","Cn1c(C=C2C=C(C=CC3C4(CCC5[C@]3(C)CC[C@@H](O)[C@@]5(C)CO)CO4)C(=O)O2)nc2c(O)nc(=N)[nH]c21"]
["145363103","N=c1nc(O)c2ncn(CCOCP3(=O)OCCC(c4ccccc4)O3)c2[nH]1"]
["33028740","CC1CC1(Cn1cnc2c(O)nc(=N)[nH]c21)OCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C"]
["97662560","N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO[P](=S)S)O3)c2[nH]1"]
["145367760","CSc1cccc2c1OP(=O)(COCCn1cnc3c(O)nc(=N)[nH]c31)OC2"]
["82970836","CC(N)C(=O)OC(c1ccccc1)N1NCC2C(O)=NCNC21"]
["100546779","FC(F)(F)[OH+]c1ccc(P(C2CCCC2)C2CCCC2)cc1.F[B-](F)(F)F"]
["177904324","O=S(=O)(CC1CCC2(CC1)OCCO2)c1ccc(-c2ccc(F)cc2F)cc1C(F)(F)F"]
["85915301","Brc1ccccc1/C=C(/CNC1CC1)C1CCCCC1"]
["61551397","Fc1c(F)c(CC2CC2)c(F)c(F)c1COC1CCCCO1"]
["186662706","O=C(O)c1ccc(C(F)(F)F)cc1NC1CCC(F)C1"]
["163161860","FC(F)(F)c1cccnc1[C@H]1CCCCN1"]
["92958965","CNC(c1c(F)cccc1F)C1CCCCC1C(F)(F)F"]
["95085558","O=C(O)c1cc(C(F)(F)F)ccc1N1CC2CCCC2C1"]
["MCULE-2513674075","OC(CCC1CCCCC1)=Nc1cc(I)ccc1F"]
["87599510","Cc1[nH]c2ccc(F)cc2c1C(=O)C1CCCCC1"]
["124567383","Cc1cccc(N=C(O)C2CCCN2)c1O.Cl"]
["162927025","Cc1ccn(CCC2CCC2)c(=O)c1"]
["182912621","CC(C)SC(SC(C)C)(C(C)C)C(C)([N-]S(=O)(=O)S(=O)(=O)S(=O)(=O)S(=O)(=O)S(=O)(=O)S(=O)(=O)S(=O)(=O)C(C(C)C)(C(C)C)S(=O)(=O)C(C)C)S(=O)(=O)C(C)C"]
["112976687","CCCNCc1n[nH]c(C)c1S(=O)(=O)NC(C)CSCC"]
["176116369","CC(C)[Si](OCCOc1cc([N+](=O)[O-])c(Br)cc1S(=O)(=O)C(C)(C)C)(C(C)C)C(C)C"]
["92888838","CC(c1nc(C(C)(C)C)c(CN)s1)S(C)(=O)=O"]
["74080493","Cc1ccc(S(=O)(=O)OC(OC(C)C)(OC(C)C)P(=O)(O)O)cc1"]
["98830428","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC(C)P(=O)(O)OC"]
["173970139","COCCOC(=O)CC(C)(C)C(C)C"]
["147723642","CCOC(=O)C(C)OS(=O)(=O)C(CC)S(=O)(=O)OC(C)C(=O)OCC"]
["51188850","CC(C)C(NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(O)=NC(C)(C)C"]
["163124514","CC(CS(=O)(=O)Cl)O[SiH2]C(C)(C)C(C)(C)C"]
["91100435","C=CC(C)(C)S(=O)(=O)C(C)C"]
["78584726","CC(C)SC(F)(F)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C"]
["179399024","C=Pc1sc2c(c1N)=C(CI1CCCCC1)C=CI=2"]
["120325731","NN=C(O)c1sccc1COCCC1CCC1"]
["93179675","NC1CCCc2nc(-c3ccc(O)cc3)sc21"]
["112707060","CSC1(CN=c2[nH]cnc(Cl)c2N)CCCCC1"]
["MCULE-5852997546","NCc1sc(C2CCC2)c(N)c1I"]
["23560203","CC1(C)CN2C(CCl)=CSC2=N1"]
["114953369","O=C(c1ccc([N+](=O)[O-])s1)N(CCCl)C1CCCCC1"]
["176361706","CC(C)CSNC1CCCCC1.N=c1[nH]c(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]
["174798201","Nc1c(N2CCCCC2)ccc2c(CCC3CCNCC3)noc12"]
["MCULE-5149385950","NN1CCCCCC1c1cc2c(s1)CS(=O)(=O)C2"]
["180112057","C=C(S/C=C(\\CC)C(O)=Nc1ccccc1I1CCCCC1)C1CCCC(CC(C)(C)SSC)CC1"]
["114302026","CCOC(=O)c1sc(N2CCCC(C)(O)CC2)cc1N"]
["174102779","[B+]=c1[cH-]c(=[B+])c2[nH]c3c(c(=[B+])c(=[B+])c4c5[cH-]c(=[B+])[cH-]c(=[B+])c5n(C5=[C-]CCC=[C-]5)c34)c2[cH-]1"]
["174045399","[B+]=c1c(=[B+])c(=[B+])c(=c2c(=[B+])c(=[B+])c3c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4n(-c4cccc5oc6cc([C-]7[N-][C-](C8=[C-]CCC=[C-]8)[N-][C-](c8c[cH-][cH-][cH-][cH-]8)[N-]7)ccc6c45)c3c2=[B+])c(=[B+])c1=[B+]"]
["174069735","[B+]/C(=C(/[B+])P(=O)(O)OC)[C@@H](OC)[C@@H](OC)[C@@H](F)C1=[C-]CCC=[C-]1"]
["176434923","CCC(N[I+]C)C(C)C1=[C-]CCC=[C-]1"]
["179320984","CCC1(COC2=[C-]CCC=[C-]2)C[Cl+]C1"]
["174045552","[B+]=c1c(=[B+])c(=[B+])c2c(oc3c2c(=[B+])c(=[B+])c2c3c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3n2-c2cccc3oc4cc([C-]5[N-][C-](C6=[C-]CCC=[C-]6)[N-][C-](C6=[C-]CCC=[C-]6)[N-]5)ccc4c23)c1=[B+]"]
["56403768","Cn1cc[nH]c1=NCCNC1CC1"]
["63536203","CCO[Br+]CC1=[C-]CCC=[C-]1"]
["174096812","[B+]=c1c(=[B-]2OC(C)(C)C(C)(C)O2)c(=[B+])c2c3ccccc3n(C3=[C-]CCC=[C-]3)c2c1=[B+]"]
["195532702","C[I+]C(c1ccccc1)c1ccc(C2=[C-]CCC=[C-]2)cc1"]
["179815602","C[C@H](C1=[C-]CCC=[C-]1)C(C)(C)[I+]O"]
["174119248","[B+]=c1c(=[B+])c(=[B+])c2c(-c3cccc(N4c5ccccc5[N-][C-]4C4=[C-]CCC=[C-]4)c3)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(-c3ccc(-c4c[cH-][cH-][cH-][cH-]4)cc3)c2c1=[B+]"]
["171914315","CC1=NC2C(=O)C(C)=C(C)NC2=C1C1C(=O)C([O-])C(C2=C3NC(C)=C(C)C(=O)C3N=C2C)C1[O-]"]
["69751599","CC1=C2C(=CC=C3NC(=O)C=C(Cl)C32)N=C1c1ccc(F)cc1F"]
["57603436","COC1=C/C(=C2/N=C(O)C(C)=C(C)N2)C=CC1=O"]
["179352196","C/C=C/C1=CNC[C@@H]2C(C)=C12"]
["19434839","C=CCSC1=NC(=O)[C@H]2C(=N1)N=C(C)/C(=C(\\[O-])OC(C)C)[C@@H]2c1ccc(Cl)cc1"]
["101173806","CCC[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C2=C1C(=O)CC2"]
["76735181","CCC(=O)C1=C(C)NC2N=C(O)N=C(O)C2C1c1cccc([N+](=O)[O-])c1"]
["162144606","CC1=CC2=NC(=O)C(C#N)C(C)=C2C1"]
["21303745","COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1"]
["181602130","CC1=C(C)C(=O)C(N=[N+]=[N-])N=C1"]
["155134156","Cc1ccc(C)c2[nH]c(C[C@@H]3CCc4occc4C3=O)nc12"]
["95138697","CC(C)C1NC2(CC2)C(=O)N1C(C)CCS(C)=O"]
["184701161","C=C=C1[C-](OC)C=CC(=C)C1N=C.[Ru+]"]
["85114347","COc1ccc(C(O)=NC2CC2)cc1O"]
["101313522","C=C=C1C=C[C](C)C(Cl)=C1"]
["181927743","COc1ccc(C(O)=NN=[N+]=[N-])cc1C"]
["101311436","C=C=C1C=CC=C(C2CC2)[C]1CC"]
["96593544","COC[C@H]1OC=CC(=O)[C@H]1OC"]
["120736924","COc1cc(C)c(C)cc1CNCCl"]
["MCULE-6618395266","COc1cc(C(O)=NC2CCOC2=O)ccc1-c1ccc(C#N)s1"]
["178426485","C=CNc1ccc(C(O)=NC)cc1OC"]
["52741920","[B+]=C1CC=C=C[C-]1OC"]
["126931895","COc1cc(F)c(C(O)=NC2CCN(c3c(F)cccc3F)C2)cc1OC"]
["93634454","COc1cc(OC)c(C(O)=NCC(Br)C2CC2)cc1OC"]
["97557556","[NH2+]=C1C=CC([N+](=O)O)=CC1=Nc1c(Cl)c(=O)c2[n-]cc[nH]c=2c1=O"]
["113018418","CCCn1cc[nH]c(=NCC2CCCC(Cl)C2)c1=O"]
["97395464","CCN1c2ncccc2C(=O)N(C)c2cc(Cl)c([N+](=O)O)nc21"]
["121318643","O=[N+]([O-])c1cc(Br)cc(C(O)=NN=c2cc[nH]cc2)c1Cl"]
["59549706","CCN=C(S)Nc1ccc2ncc(=Nc3c(Cl)cccc3Cl)[nH]c2n1"]
["97804245","[NH2+]=c1nc(O)c2c([nH]1)[N-]c1c(c(=O)oc3ccccc13)C2c1cccc([N+](=O)O)c1"]
["161905917","O=C1C=C/C(=C\\NN=C(O)c2cc3ccccc3[nH]2)C(O)=C1"]
["97108853","O=[N+](O)C1=Cc2cc(Cl)ccc2OC1c1ccccc1"]
["96643558","CC1(C)OC(=O)C(Cc2c[nH]c3ccc([N+](=O)O)cc23)C(=O)O1"]
["147829729","O=[N+](O)[C@H]1C(=[OH+])c2ccccc2[N-][C@@H]1c1ccc(Cl)cc1"]
["108859716","CCc1cccc(C)c1N=C(O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(O)=Nc2ccccc2OC)=C(C)N1"]
["97191890","CCCC[N-]C=C1C=CC([N+](=O)O)=CC1=[OH+]"]
["96594149","[N]CCCC[N+]CCCN=C(S)N[C@H]1[O+][C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]
["82381459","NN1C=NC=C2C(NC3OC(CO)C(O)C3O)=NCN=C21"]
["169287905","CCC(C)NNC(S)=NCCCN(CC)CC"]
["102674141","CCOc1ccc(CCCN=C(S)Nc2ccc(F)cc2F)cc1"]
["42608248","Cc1nn(CCCN=C(S)NC2CC2)cc1Cl"]
["94228739","CCCCN=C(O)NC1CCCC(C)(C)C1"]
["111996642","COCCCN=C(S)NCC1(C)CC1"]
["172408906","CCCCCCCCCCCCCCCCCCN=C(S)N/C=C1/C(O)Oc2ccccc2C1O"]
["169298352","CCCCCCCCCCCCCCCCCCN=C(S)NNC(CC)C(C)(C)C"]
["169290335","CCOC(=O)CCCN=C(S)NNCCOC"]
["159466641","Cc1cccc(CCNC(S)=NCCCOC(C)C)c1"]
["102645899","SC(=NCCCc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1"]
["179678275","C=C1[CH-]C(C(C2=CC(=C)I=CC2)(C(F)(F)F)C(F)(F)F)=C=CC1"]
["46342641","C=C1CC=C=C[C-]1Cl.[Zn]"]
["73810732","OC1=C=CCC(O)=C1"]
["173298328","CCCCC=C1[CH-]C(C)=C=CC1.[Li+]"]
["173031468","CC(C)(C)C1=C=CC[CH-]1.CC1=C(C)C(=[SiH-](C)C)C(C)=C1C.[Zr+2]"]
["186275515","OC(c1ccc2n1CCNC2C(F)(F)F)C(F)(F)F"]
["24018285","N[C@@H](c1c(I)cc(I)c(O)c1I)C(F)(F)F"]
["99648490","COC(=O)C1=C=CC[CH-]1.[Co]"]
["171056205","[B+]=C1[CH-]C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C=CC1"]
["46797686","C=C=C1C=C=C2[C-]3C=C=C(N4C=CN(C)C4)C=C3C(C)(C)C2[CH-]1.[Ir]"]
["178950613","C=CC1=NI=CCC(C(C)(C)C)=C1"]
["174536048","O.O.[B+]=C1[CH-]C(c2ccccc2)=C=CC1"]
["50642575","CC(C)(C)C1CCC([Si](C)(C)C2CC([Si](C)(C)C(C)(C)C)CC2[Si](C)(C)C)C1.C[Si](C)(C)C=[Si-](C)(C)C.[Sm+3]"]
["42963194","COc1ccc(C(Br)C2CCC(C(C)(C)C)CC2)cc1F"]
["62856106","CC(N)(c1nc(CSC2CCCC2)no1)C1CC1"]
["96119981","Cc1nn(C)c(Cl)c1CC1CC(C(C)(C)C)CCC1Cl"]
["17077867","CC(C)N=C(O)CCC1=NC(=O)C2=C3CC[C@@H](C(C)(C)C)C[C@@H]3SC2=N1"]
["176672896","CC(C)(C)[Si](C)(C)OCC(O)[C@@H](N)CC1CCCCC1"]
["55345272","CN(C)C1CC(C(C)(C)C)CCC1O"]
["63574388","CC(C)(C)C1CCC(c2nnc(CN)o2)CC1"]
["86542152","C=CCCC1CC(C(C)(C)C)CCC1CNC1CC1"]
["CSSS14880525309","Cc1nscc1Cc1nc(C(C)(C)C2CC2)no1"]
["159199488","CC(C)(C)[C@](C)(N)C1CCOCC1"]
["175403293","CC(=N/C(=C\\C(C)(C)C1CC1)C(F)(F)F)/C(Cl)=C(\\N)C(=O)N1CCN=C(O)C1.O=C1CCC2CC12"]
["98193714","OC1=NC2(C=c3cc4nccnc4cc3=C2)C(O)=N1"]
["16758947","CC(C)Oc1cccc(CN=C(O)[C@H]2CC[C@@]3(CC2)N=C(O)N=C3O)c1"]
["73885980","O=C1c2ccc(O)cc2CN1CC1(c2ccc(N=CO)cc2)N=C(O)N=C1O"]
["166389650","COc1ccc2c(c1)[C@@]13CCN(C)[C@@H](C2)[C@@]1(O)CC[C@]1(C3)N=C(O)N=C1O"]
["52066845","O=C(Nc1ccc2nccnc2c1)c1ccc(Br)s1"]
["104212850","CCC[C@]1(/C=N/NC(=N)S)N=C(O)N=C1O"]
["106409917","COCCOc1ccc([C@]2(CCN)N=C(O)N=C2O)cc1"]
["MCULE-4576175301","COc1ccc(Cl)cc1C1(CCC(O)=NCc2ccccc2)N=C(O)N=C1O"]
["MCULE-7256933368","Cc1cc(C)c(N=C(O)CCC2(c3ccc(Cl)cc3)N=C(O)N=C2O)c(C)c1"]
["MCULE-8797422488","Cc1noc(C)c1C(O)=Nc1ccc2nccnc2c1-c1cccc(C(=N)O)c1"]
["183134716","OC1=Nc2cccnc2C=CC1"]
["131249134","Cc1ccc(CN=C(O)c2cc(F)cc3nccnc23)cc1F"]
["SN0142561","C1=C[CH-][NH+]2[CH+]C=1CCCCCCCCCCCCC[NH+]1C=C(C=C[CH-]1)CCCCCCCCCCCCC[N+]1C=C(C=CC1)CCCCCCCCCCCCC2.[H+]"]
["101217877","O[C@]12CC=Cc3cc(cnc31)CCCCCCCCC2"]
["28246812","O=C1N=C(O)CCC1N1Cc2c(OCc3ccc(CN4C[C@H]5CCCC[C@H]5C4)cc3)cccc2C1=O"]
["42236420","C=C1C=CC=CC1=[N+]1CC=C[N-]1.C=C1[CH-]C=CC=C1C1=C=CC=C[N-]1.[Ir]"]
["184732806","O=C1N=C(O)CCC1N1Cc2c(OCc3ccc(CN4CCN(Cc5ccc(COc6cccc7c6CN(C6CCC(O)=NC6=O)C7=O)cc5)C4)cc3)cccc2C1=O"]
["195092727","C1=CC2=C[NH+](C1)CCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCC2"]
["161279516","BC1(B)CN(Cc2ccc(COc3cccc4c3CN(C3CCC(O)=NC3=O)C4=O)cc2)CC(B)(B)O1"]
["195047523","C1=CC2=CN(C1)CCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCC2"]
["195110620","C1=C[NH+]2CCCCCCCCCCCCCCC3=C[NH+](CC=C3)CCCCCCCCCCCCCCCC(=C1)C2"]
["SN0080510","[C+]1=CCCCCCCC2=C[NH+](CC=C2)CCCCCCCCCCCCC2=C[NH+]([CH-]C=C2)CCCCCC1"]
["161279518","BC1N(Cc2ccc(COc3cccc4c3CN(C3CCC(O)=NC3=O)C4=O)cc2)C(B)C(B)(B)OC1(B)B"]
["170090143","CC(=O)c1nn(CC(=O)N2C3C[C@@]34C=[N+](C)CCCCCCCc3ccc(Br)nc3N=C(O)[C@@H]2C4)c2ccc(-c3cnc(C)nc3)cc12"]
["55268480","C[O+]=[Si](O[Si](O[Si](O[Si-](O[Si-](O[Si-](C)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)=[O+]P(=O)(O)O)=[O+]P(=O)(O)O)OP(=O)(O)O"]
["34535012","O=P(O)(O)COCC(COCP(=O)(O)O)n1cnc2c(S)ncnc21"]
["192070473","CC(C)(C)C(=O)Cc1cccc(OP(=O)(O)O)c1"]
["78298725","CCCO/C=C(/C(=O)Oc1c(OCCC)c(OCCC)c(CCC)c(OCCC)c1OCCC)C(OCCC)(OCCC)OCCC"]
["MCULE-2539264035","COc1cc(-c2cccn2C)ccc1C(=O)NC1=C(C#N)CCC1"]
["180742242","C/C(OP(=O)(O)OP(=O)(O)O)=C1\\OCC[C@@H]1O"]
["100841838","Cc1c[nH]c2c1C13C[C@@H]1CN(C(=O)C14CC(C(=O)C5C[C@@H](CCl)c6c5cc(OP(=O)(O)O)c5[nH]cc(C)c65)(C1)C4)C3=CC2=O"]
["173007607","COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.[H-].[Na+]"]
["172428051","Cc1ccccc1C1=CC=CC(C)(OP(=O)(O)O)C1C"]
["186578183","Cn1cc(CC(N)C(=O)O)c2ccccc21.O=P(O)(O)O"]
["149542198","Cc1cc(C#N)ccc1OC(C)(C)COP(=O)(O)O"]
["171699853","CON(C(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1"]
["174218063","[Si]=c1cc(CBr)c(=C2C(CBr)=CC(=[Si+])C3=CC(=[Si-])C=C[C+]32)c2c1=CC([Si-])CC=2"]
["176297648","CC.CCCN(CCC(C)C1C=C(C(C)C)C=CC1CC)S(C)(=O)=O.CNN"]
["163113402","N#Cc1cc(OC(F)F)c(S(=O)(=O)Cl)cc1CBr"]
["164278097","CC(O)CCC1=CC(Br)=CCC1O"]
["65781874","CC(C)(C)[Si](C)(C)N1C(=O)[C@H]2C(CBr)=CC[C@H]21"]
["162336243","CCN1CCC(S(=O)(=O)NC(O)=NC2=C(C3=CC(=C=[N-])[N-]C=C3)C=C[C+]3CCC=C23)CC1.[K+]"]
["27642900","O=C1C=CC2(C=C1)CC1=NCCc3cc(CO)c(C45NC(N4)N5)c2c31"]
["150375168","C=CC(=CC)C1=CCC(C)C(C=CCCCC(CCC)CCCCC(=C)CCc2ccccc2C)=C1"]
["163056346","CCc1cc2c(C(F)F)csc2cc1CBr"]
["111227539","CC(C)c1nc(Br)cc(N(CCO)C2CCC2)n1"]
["97278559","C=CCC1=CC(=S2c3ccccc3Sc3ccccc32)C=CC1=[OH+]"]
["176614608","C[Br+]C1CC=C2C=C3c4ccc(CCBr)cc4CO[C-]3C=C2C1[O-]"]
["178930619","N#C/C(=C1/C(=C(c2c(F)c(F)c(C#N)c(I)c2F)C2CN2)/C1=C(/c1c(F)c(F)c(C#N)c(F)c1F)C1CN1)c1c(F)c(I)c(C2CN2)c(I)c1I"]
["53697913","N#Cc1c(C2CCNCC2)cc(-c2cc(F)c(F)c(F)c2)nc1N"]
["172204392","[C-]#[N+]/C(C#N)=C1/c2cc(C#N)c(-c3c(F)c(C#N)c(F)c([N+]#[C-])c3F)cc2-c2cc(-c3c(F)c(C#N)c(F)c([N+]#[C-])c3F)c([N+]#[C-])cc21"]
["147121374","Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCNCC1c1cccnc1.Cl"]
["171259685","COc1ccc(C#N)c([C@@H]2CNCCN2)c1O"]
["179219955","Cc1cc(C(=O)F)c(F)c(C#N)c1F"]
["189835778","[C-]#[N+]/C(C#N)=C1\\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(C#N)c([N+]#[C-])cc5=N4)nc(-c4c(F)c(F)c(C#N)c(F)c4F)n3)c(C#N)c2=N1"]
["MCULE-1707558602","N#Cc1c(F)cc(C2C(CN)C2(F)F)cc1F"]
["12838143","CCC(C)(C)N=C(O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N"]
["145015760","O=C(O)C1CNC(c2c(F)c(F)c(F)c(F)c2F)C1"]
["143610769","CC1CCC(C)(N=C(O)c2c(F)cc(C#N)cc2F)CC1"]
["188177216","CC[C@H]1CC[C@@]2(C)CC(C#N)=C(O)C(C)(C)[C@@H]2O1"]
["46208207","CC[N+](C)(CC[N+](C)(C)CC[NH+](C)C(=O)CCCCC([OH2+])=[NH+]CCC[N+](C)(C)CC[N+](C)(CS(=O)(=O)[O-])CS(=O)(=O)[O-])CS(=O)(=O)[O-]"]
["47511359","CCCCCCCC(=O)[O-].CCCCCCCCC[N+](C)(CCCCCCCCC)CCCCCCCCC"]
["61213569","CCC[N+](C)(CCC)CCC.COS(=O)(=O)[O-]"]
["33758050","CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]"]
["2696158","CCCN1CCC([NH+](C)C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)CC1"]
["170319216","CCCCCCCCCCCCCCCC(=O)O.C[N+](C)(C)CC(O)CC(=O)[O-]"]
["108959240","CCCCCCCCCCCCCCCC[N+](C)(C)C[C@@H]([OH2+])CS(=O)(=O)[O-]"]
["178910697","CCC[NH+](C)CC[N+](C)(CCC)CCS(=O)(=O)[O-]"]
["172683755","CCCC[N+](CCCC)(CCCC)CCCCCCC(=O)[O-]"]
["195620790","CC(=O)CC(=O)OCC[N+](C)(C)CCOC(=O)CC(C)=O.Cc1ccc(S(=O)(=O)[O-])cc1"]
["190081285","C[N+](C)(C)CC(CC(=O)[O-])OC(=O)/C=C/CCC/C=C/C(=O)O"]
["172817208","CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCCCC(=O)[O-]"]
["176331252","[O-][C-](Cl)CC=C1C=C[C-](CCC(C2=ICC2)C2C[I+]C2)C=C1"]
["87809680","NCCC(c1cc(Br)cs1)C1CC1"]
["46579682","CC(C)Cn1ncnc1CC1CCCC(=O)C1"]
["174817854","CC(C)C=C1C=C[C-](C(C)C)C=C1.[Cd]"]
["50025950","C[C@H]1CCCN([C@@H](C)CNS(=O)(=O)c2ccc(CCCl)cc2)C1"]
["175000125","C=C/C(F)=C(/F)C(=C)CC=C1C=C[C-](C)C=C1.[Rb+]"]
["175916629","C[I+][C@H](CC(CC(CC(CC(CC[C-]1CC=C(C(C)Cl)CC1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)C1=CCC(CCC(Cl)c2ccc(CCC(C)[C-]3C=CC(=CCl)C=C3)cc2)C=C1)c1ccc(CCl)cc1)c1ccc(CCl)cc1"]
["179946728","CCC=C1C=C[C-](N2Cc3ccccc3OC(CC)[I+][C@@H]2CC)C=C1"]
["180821602","CC(=N)N(C)C(=O)C[C@H](C1=CC(S)=CC1)C1CC1"]
["66931674","CCCNC(Cc1cc(Br)cs1)C1CCCCC1"]
["119935681","CCCNC(Cc1ccc(F)c(Cl)c1)C1CC1"]
["86869326","CC(C)Oc1ccc(C2(C)CC2CCl)cc1"]
["76067126","CC(C)OP(=O)(CO[C@H](C)Cn1nc2c(Cl)nc(=N)nc-2[nH]1)OC(C)C"]
["47285747","Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)COC(C)C)C3)no1"]
["63032311","COC(=O)CCC(C)c1nc(Cl)c2cc(C)sc2n1"]
["177129341","CCOP(=O)(OCC)OC(C)CC#N"]
["126179773","Cc1nc(C(=O)NCc2nc(C(C)C)cs2)nn1-c1ccc(Cl)cc1"]
["34186392","CC(C)OCOC(=O)OP(=O)(C/C=C/Cn1cc(Cl)c(O)nc1=O)OC(=O)OCOC(C)C"]
["163285294","COc1nc(=N)[nH]c(C#N)c1CC(C)C"]
["150345218","CC(C)Oc1cc(-c2ncn(CCC(=O)N=N)n2)cc(C(F)(F)F)n1"]
["165475091","CCc1cc(=NC(C)CN2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1"]
["191970679","C.CCCOC(=O)C(C)NP(=O)(COCCn1cnc2c(NC3CC3)[nH]c(=N)nc21)NC(C)C(=O)OCCC"]
["MCULE-2422528350","COc1ccc(-c2c(C(C)C)nn3c(=N)nc(Cl)[nH]c23)cc1"]
["21616649","C[C@@H](Cn1ccc2nc(O)c(C#N)cc2c1=O)Oc1cccnc1"]
["198605821","SCc1cc2c3c(c1)c1c(Cl)c(Cl)c(Cl)c4c5c(Cl)c(Cl)c(Cl)c6c7cc(S(Cl)(Cl)Cl)cc8c9c(Cl)c(Cl)c(Cl)c%10c9c9c(c3c(c14)c(c65)c9c87)C1C2=C(Cl)C(Cl)=C(Cl)C%101"]
["178664381","C=[N+]1CCc2sc3ccc(I)c(Cl)c3c2C1CN"]
["171563149","Nc1ncccc1-c1nc2ccc(C3=CCCC=C3)nc2n1-c1ccc(CN2CCCCC(N)C2)cc1"]
["167220156","Clc1ccc(C[n+]2ccccc2C2OCCO2)cc1Cl"]
["63567861","C12=c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c3c5c3c%21c5c(c73)c3c8c%11c7c%13c%15c8c%17c%20c5c8c73)C%19C1C1C%18C%16C3C=%14C5C%12C%10C7C(C=4C4C2C1C3C5C47)C69"]
["63336301","C[C@]12CC[C@H]3[C@]4(C=C[C@@]5(C=C4C(=O)c4ccc(-c6cc(C(F)(F)F)ccc6Cl)o4)CC(O)CC[C@]35C)[C@@H]1CC[C@@]2(O)CN(Cc1cccc2ccccc12)S(=O)(=O)c1cccs1"]
["30021547","COc1ccc(Cl)c(-c2cccc3c(=N)c4c([nH]c23)CN(C2CC2)C4=O)c1"]
["195675145","O=C(OCCCCC(F)(F)C1C2C3=CC4Cc5cc6c7c8c(cc9c%10c%11c%12c(cc%13c%12c%12c(c%14c%15c%16c(c5c7c%16c(c8%10)c%11c%12%15)C4C=%143)C21C=%13)C9)C6)c1ccccc1"]
["187030357","O=C(O)c1cc(CO)cc(C2CSC(N3CC4C(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)C4C3)=N2)c1"]
["100269343","Cc1ccc(CC(F)(F)F)cc1-c1cc(CC(F)(F)F)cc(-c2c(C)ccc(C(F)(F)C(F)(F)F)c2-c2cc(C(F)(F)F)ccc2Cl)c1Cl"]
["172782847","N[C@H]1CC[C@H](n2ncc3c(F)cc(S(=O)(=O)c4ccc(Cl)c5c(=O)n(O)c(O)nc45)cc32)C1"]
["131263993","N#Cc1cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)ccc1Cl"]
["188085390","C#C/C(F)=C(N)\\C(F)=C(/CF)C12CC3(C#CI)CC1(c1c(F)cc(F)c(N)c1F)CC3(c1c(F)cc(F)c(N)c1F)C2"]
["190311509","C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4(C(F)F)CC4)NN3)c3ccc(F)c4cnccc34)cc2c1NCC(C)(C)C"]
["MCULE-4356119874","CSc1ccccc1-c1cccc(C#N)c1NC(=O)C1CN(S(=O)(=O)c2ccc(F)cc2)C1"]
["111657951","Cc1cc(N)cc(C(O)=NC2(CO)CCC(C)CC2)c1F"]
["44162265","C#Cc1c(Cl)cc(C(C)O)c(-c2cccc(F)c2)c1N=NN(CC)CC"]
["MCULE-7265254848","CCN(CC)CCCN=C(O)CCC1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O"]
["200533387","CC(O)=NCC#Cc1cc(C(=O)O)c(N)cc1F"]
["MCULE-6352295818","CCOc1ccc(C)cc1-c1ccc(NC(=O)C2CC(=O)N(C)C2)c(C#N)c1F"]
["56523374","C[C@@H](CC/C=C/C(=O)O)[C@@H](OC(O)=Nc1ccc2c(c1)OCO2)c1ccc(O)c(F)c1"]
["176852346","CCCC(C)c1ccc(C2CCC(C3CCC(/C(F)=C/C(F)(F)F)CC3)CC2)c(F)c1"]
["MCULE-6844072269","CCn1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)C4CN(S(=O)(=O)c5ccc(F)cc5)C4)CC3)cc2)cn1"]
["128137740","Cl.NCC1CCN(C(=O)c2c(F)c(F)cc(F)c2F)C1"]
["28294819","O=S1(=O)Nc2cccc(c2)N=C2NC(=NC=C2Br)Nc2cccc1c2"]
["82619547","CCOC(=O)c1ccc(-c2cc(C)c(OCCNC(C)C(O)c3ccc4cc3NS(=O)(=O)c3cccc(c3)CO4)c(C)c2)cc1"]
["187301716","FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccc3ncc(Br)cc3n2)n1"]
["120571140","O=S1(=O)c2cc(C(F)(F)F)ccc2NCC12CC2"]
["176386551","C=CSC(=NC)c1cccc(Br)c1.CC.CC"]
["77547679","CC1CCC2(CC1)N=C(O)N(N=C(O)COC(=O)C=Cc1cccc(Br)c1)C2=O"]
["30117666","OC1=NC(c2ccc(F)c(Br)c2)C2=C(N1)c1ccccc1OC2"]
["50583799","O=C1C=C(Br)C=C/C1=C1\\Nc2ccncc2N1"]
["67896089","CN1CC(N=C(O)c2cccc(N=C3NC4=Nc5cccc(c5)N=C(O)CCCCC5=CNN3C5=N4)c2)C1"]
["178308788","COc1ncc2cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)CCc1ccc(s1)-c1ncnc3c(C)c-2sc13"]
["48199434","N=S1(=O)CCCCN=C2NC(=NC=C2c2ccc(OCC(=O)c3cccc(C(F)(F)F)c3)cc2)Nc2cccc1c2"]
["34583652","O=C(CCc1ccc(C2=CN=C3NC2=NCCCCNS(=O)(=O)c2cccc(c2)N3)cc1)c1ccccc1F"]
["183567423","Cc1cc(C)cc(CNC(NCc2cc(C)ccc2C)(c2c(F)c(F)c(F)c(F)c2F)N(NCc2c(C)cc(C)cc2C)N(Cc2cc(CF)cc(CF)c2)NCc2c(C)cccc2C)c1"]
["MCULE-1486399690","Cc1cccc(Cn2nc(C(O)=Nc3cc(C)ccc3C)c(Cl)c2-c2ccc(F)cc2)c1"]
["133260255","COc1ccc(O)c(CN=C(O)Nc2cccc(C)c2F)c1"]
["166664426","Cc1cc(C)c(C[C@@]2(c3ccccc3)CN[C@H](C(=O)O)C2)c(C)c1"]
["31480413","COc1ccc2c(c1)c(CN(C)C)cn2CC(NS(=O)(=O)c1c(C)cc(C)cc1C)C(F)(F)F"]
["129465495","Cc1cccc(C(O)CN=C(O)Nc2ccc(F)c(C)c2)c1"]
["131748204","Cc1ccc(C)c(CS(=O)(=O)CC(O)=NC2CCC(C)CC2)c1"]
["151605531","CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(O)=N[C@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1"]
["68085433","CC(C)(C)NCc1ccnc(Oc2cccc(F)c2F)c1"]
["102663867","CC[C@H](Oc1cc(C)ccc1C)C(O)=NC(C)(C)Cc1ccccc1"]
["MCULE-7268117667","CCC(N=C(O)c1ccc2nc[nH]c2c1)C(O)=NCc1cc(C)ccc1C"]
["77650671","CC1=CC(=O)C(=C([O-])C=Cc2c(F)c(F)c(F)c(F)c2F)C(=O)O1"]
["186009630","[C+]#[N+]C(C#N)=C1C([c-]2c3c(O)ccc(N(C)C)c3c(=[N+](C)C)c3c(N(C)C)ccc(O)c32)=C([O-])C1=c1c2c(c(N(C)C)c3c(N(C)C)ccc(O)c13)C(N(C)C)=CCC=2[O-]"]
["169028279","CN(C)Cc1cc(-c2[nH]c(=S)nc(Cl)c2C#N)ccc1O"]
["80039758","N#CCOc1ccc2c(c1-c1ccc(CC(N=C(O)c3c(Cl)cccc3Cl)C(=O)O)cc1)OCO2"]
["29122616","COc1cc(-c2oc3ccc(C(C(C)=O)N4CCCCC4)cc3c2SC)ccc1O"]
["186009542","[C-]#[N+]/C(C#N)=C1\\C(c2c3cccc(N(C)C)c3c(N(C)C)c3c(N(C)C)cccc23)=C([O-])C1=c1c2c(c(N(C)C)c3c(N(C)C)ccc(N)c13)C(N(C)C)=[C+]CC=2N"]
["142296406","CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c(F)cccc2F)C1"]
["75038385","CN(C)c1cc(C(=N)O)nc2ccc([NH])cc12"]
["168575106","CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccc(O)c(OC)c1"]
["186009449","[C+]#[N+]/C(C#N)=C1/C(c2c3c(N)cccc3c(N(CCC)CCC)c3cccc(N)c23)=C([O-])C1=c1c2c(c(N(CCC)CCC)c3cccc(O)c13)C=CCC=2O"]
["83724695","CC1CCCCC1N=C(O)C(C#N)=Cc1ccc(N(C)C)c([N+](=O)[O-])c1"]
["67089052","COc1ccccc1OC1CN(c2ccnc(OC)c2C#N)C1"]
["152867738","Cc1ccc(-c2oc(N=Cc3ccc(N(C)C)c(Br)c3)c(C#N)c2-c2ccc(C)cc2)cc1"]
["187039234","C[Si](C)(O)C1[Si](C)(O)C[Si]2(C[Si-]O)OS3([O-])O[Si]1(C)C2[Si+]=[O+]3"]
["46562019","COCC1CCOC(O)=N1"]
["175784402","CN1CCC(N=C(O)C23CNCC2(C(F)(F)F)C3)C(F)(F)C1"]
["91065218","CC1=CC([Si](C)(C)C)C(CO)CC1"]
["120559705","CC(O)Cc1cnc(C2CCCS2)o1"]
["185250662","CN1C2C[C@H](O)CC1[C@@H](CC(=O)O)C2"]
["150726532","C=CC[C@]12C[C@@]3(OCOC3=CC1=O)[C@@H](C)[C@@H]2c1ccc(O)c(OC)c1"]
["78092193","C[C](C)CC1CC(C)(C)CC1C"]
["7981383","CSCc1nn(CN2CCO[C@H](C(=N)O)C2)c(=S)o1"]
["138449226","CC(C)OCCCC(O)=NCC1CCC(C(=N)O)O1"]
["143402740","CC1CCC2(CC1)OCC(CN=C(O)N=c1cc[nH]cc1)O2"]
["175496804","CN1CCC(OCc2ccc(CNc3cccc4c(OC(=N)O)nccc34)cc2)CC1"]
["66962609","N#CC1CCCCC1CSc1nnc2n1C1CCCCC1C(=O)N2CC1CCCCC1"]
["138848830","Cl.Cl.O=C(c1cccc2c1CCCN2)N1CCCC(Cn2cncn2)C1"]
["182588733","COC1(C(=N)O)NC=CC=C1CC1CCN(CC2CCCCC2)CC1"]
["126528784","Cn1cnnc1SCC(O)=NCC1CCCCCCC1"]
["123859425","CCCn1c(CO)nnc1SCC(O)=NCCC1CCCCC1"]
["127741122","CC1CCN(c2nnc(SCCN(C)C)n2CC2CCCO2)CC1"]
["6441512","CCOC[C@H]1CCCN(C(=O)[C@H](c2ccc(OC)cc2)C2CCCC2)C1"]
["MCULE-5256328567","N#Cc1c(I)c(C(F)(F)F)nn1CC1CCCCC1"]
["30850015","CC1C(S(N)(=O)=O)C=C(c2cc(C(C)(C)C)c3c(c2)C(C)(C)CC(O)=N3)N1CC1CCCCC1"]
["4049204","Cc1cccc(-n2cnc(C(=O)N3CCC4=NN[C@H](C5CCCCC5)[C@H]4C3)c2)n1"]
["184172489","Cc1c(C(=O)C(N)=O)c2c(OCC(O)=NS(=O)(=O)c3ccccc3)c3ccccc3cc2n1CC1CCCCC1"]
["MCULE-7830215558","O=C(CC1CCCCC1)N1C(c2ccc(Cl)s2)CSc2nnc(CCc3ccccc3)n21"]
["180086436","CC1C([OH2+])C([SiH+]O)CC(O[SiH3])CCC([SiH2+])C2([SiH3])CCC(C)[S+](=O)(C1[O+]=[SiH-])C2C"]
["100936128","C=C[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]
["60275967","COC1CC[C@@](N)(C(=O)O)[C@@H](C)C1.Cl"]
["112726201","CCC1(C(O)=NC2CCC(OC)C2)CCNC1"]
["160629940","CCC(OC1CCCC(C)C1)C(O)=N[C@@H]1CS(=O)(=O)C[C@@H]1C"]
["175911427","CC1CC(NS(=O)(=O)CF)CN1C(=O)OCO[C@H]1CC[C@@]2(c3ncc(Cl)cn3)C[C@H]2C1"]
["85162764","CCOC(=O)C1(NC(C)C)CCC(OC)C1"]
["172893329","C=C[C@]1(C)C[C@@H](OC(=O)COc2ccc3c(c2C)B(O)OC3)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@@H]2C)[C@@H](C)[C@@H]1O"]
["172082694","COC1CCC(NC2NNC(CO)S2)C(O)C1"]
["151618896","CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2)C1(C)C"]
["120474423","CC1CCCC(SC2(C(=O)O)CCCC2)C1"]
["90989341","CC(=O)OC1CCC2(C)C3=C(C(OC(C)=O)CC2C1)C1CCC(C(C)CCCC(C)C)C1(C)CC3"]
["194607219","C[C-]1C=C=C([SiH]=[O+]C([Si+])(O[SiH]=C2C=C[C-](C)C=C2)O[SiH]=C2C=CC(C)C=C2)C=C1"]
["175095057","C[NH-].[B+]=C1C=CC(C)C=C1.[HH]"]
["74162031","COC1C=CC=C=C1C1=[C-]C=C=CC1=[O+]C"]
["194663235","FC(F)(F)C1=CCC(CO[C@H](CCCl)c2ccccc2)C=C1"]
["185422711","Cc1ccc(C(C2=C=CC(C)C=C2)=C2C=C[C-](C)C=C2)cc1.[Rb+]"]
["44215005","CC1=C=C[C-](C2=C=CC(C)C=C2)C=C1C.[Y+3]"]
["161272469","CC1C=CC=C(CSC2=NCN(Cc3cccnc3)CN2)C=C1"]
["56129151","C[C-]1C=CC(=[Si](C2=C=CC(C)C=C2)[Si](C)=[Si+])C=C1"]
["172074855","CCC([O-])(C(C)C)C1C=CC(=[Si+])C=C1"]
["167252835","Cc1ccc(C([S-])=C2C=CC(C)C=C2)cc1"]
["174523753","CC1C=Cc2c3c(c4c(c2C=C1)C=CC(C)C=C4)C=CC(C)C=C3"]
["173060904","[B+]=c1ccc(=C2N=C(CCC3CCCCC3)O[C-]2C2=C=CC(C)C=C2)cc1"]
["70631914","C[Si+](C)CC12C3C4C5C6C7C8C9C%10C%11C%12C%13C9C7C7C9C%13C%13C%12C%12C%14C%11C%11C%10C%10C8C8C6C4C4C6C8C%10C8C%11C%10C%14C%11C%12C%12C%13C%13C9C(C75)C3C3C%13C%12C5C%11C7C%10C8C6C(C41)C7(C[Si-](C)C)C5C32.C[Si+](C)CC12C3C4C5C6C7C8C9C%10C%11C%12C9C9C7C7C%13C9C9C%12C%12C%14C%11C%11C%15C%10C%10C8C6C6C8C%10C%15C%10C%15C%11C%14C%11C%14C%12C9C9C%13C(C3C75)C3C9C%14C5C%11C%15C7C%10C8C(C64)C1C7C5C32C[Si-](C)C"]
["154272974","N#CCC[C@@]12[C@@H]3[C@@H]4[C@H]5[C@@H]6[C@H]7[C@@H]8[C@@H]9[C@H]%10[C@H]7[C@H]5[C@@H]3[C@H]%10[C@H]1[C@H]9[C@@H]1[C@@H]8[C@H]6[C@@H]4[C@@H]12"]
["70631061","C[Si](C)(C)CC12C3C4C5C6C7C8C9C%10C%11C%12C9C9C7C7C%13C9C9C%12C%12C%14C%11C%11C%15C%10C%10C8C6C6C8C%10C%15C%10C%15C%11C%14C%11C%14C%12C9C9C%13C(C3C75)C3C9C%14C5C%11C%15C7C%10C8C(C64)C1C7C5C32C[Si](C)(C)C"]
["151621916","CN1C[C@@]23C4C5C6C7C8C9C%10C%11C%12C%13C%10C%10C8C8C%14C%10C%10C%13C%13C%15C%12C%12C%16C%11C%11C9C7C7C9C%11C%16C%11C%16C%12C%15C%12C%15C%13C%10C%10C%14C(C4C86)C4C%10C%15C6C%12C%16C8C%11C9C(C75)C2C8C6[C@@]43C1"]
["90517294","CC(C)O[Si](C)(C)CC12C3C4C5C6C7C8C9C%10C%11C%12C9C9C%13C%14C%12C%12C%15C%11C%11C%16C%10C%10C8C6C6C8C%10C%16C%10C%16C%11C%15C%11C%15C%12C%14C%12C%14C%13C(C97)C5C3C%14C3C%12C%15C5C%11C%16C7C%10C8C(C64)C1C7C5C32"]
["70629423","C[Si]1(C)CC23C4C5C6C7C8C9C%10C%11C%12C%13C%10C%10C8C8C%14C%10C%10C%13C%13C%15C%12C%12C%16C%11C%11C9C7C7C9C%11C%16C%11C%16C%12C%15C%12C%15C%13C%10C%10C%14C(C4C86)C4C%10C%15C6C%12C%16C8C%11C9C(C75)C2C8C6C43C[Si](C)(C)O1"]
["90549523","C[Si](C)(C)C#CC12C3C4C5C6C7C8C9C%10C%11C%12C9C9C%13C%14C%12C%12C%15C%11C%11C%16C%10C%10C8C6C6C8C%10C%16C%10C%16C%11C%15C%11C%15C%12C%14C%12C%14C%13C(C97)C5C3C%14C3C%12C%15C5C%11C%16C7C%10C8C(C64)C1C7C5C32"]
["169947834","CS(C)(CCS)CCc1c(F)c(F)c(CCC23C4C5C6C4C2C6C53)c(F)c1F"]
["90819738","OCC12C3C4C5C6C7C8C9C%10C%11C%12C9C9C%13C%14C%12C%12C%15C%11C%11C%16C%10C%10C8C6C6C8C%10C%16C%10C%16C%11C%15C%11C%15C%12C%14C%12C%14C%13C(C97)C5C3C%14C3C%12C%15C5C%11C%16C7C%10C8C(C64)C1C7C5C32"]
["90634319","CC(C)OC12C3C4C5C6C7C8C9C%10C%11C%12C%13C9C7C7C9C%13C%13C%12C%12C%14C%11C%11C%10C%10C8C8C6C4C4C6C8C%10C8C%11C%10C%14C%11C%12C%12C%13C%13C9C(C75)C3C3C%13C%12C5C%11C7C%10C8C6C(C41)C7(OC(C)C)C5C32"]
["90826834","C#CCC12C3C4C5C6C7C8C9C%10C%11C%12C9C9C%13C%14C%12C%12C%15C%11C%11C%16C%10C%10C8C6C6C8C%10C%16C%10C%16C%11C%15C%11C%15C%12C%14C%12C%14C%13C(C97)C5C3C%14C3C%12C%15C5C%11C%16C7C%10C8C(C64)C1C7C5C32"]
["77389631","CCCC[Si](C)(C)CC12C3C4C5C6C7C8C9C%10C%11C%12C%13C9C7C7C9C%13C%13C%12C%12C%14C%11C%11C%10C%10C8C8C6C4C4C6C8C%10C8C%11C%10C%14C%11C%12C%12C%13C%13C9C(C75)C3C3C%13C%12C5C%11C7C%10C8C6C(C41)C7(C[Si](C)(C)c1ccccc1)C5C32"]
["194698797","CC1(C)C=C(O)C=CC(OC(F)(F)C2=CC(C)(CCCCS)C3=CC(C)(C)C=C(O)C=C3C=C2)=C1"]
["183106308","CCCCOc1ccc(CC2=COC(N)(C(=N)N)C=C2N)cc1OC"]
["178985667","CC(NNC(=O)c1ccc(C(=O)N2CCN(C(C)C)CC2)s1)c1csc(C2=CI=C(C(F)(F)F)C=C2)c1O"]
["199275623","C=C1C=C(C)NC(/C(=C\\C=C/C)C(NC2NC=C(F)C=C2C)C(F)(F)F)=N1"]
["43558815","CCOC1=CC(=O)C(=CNCCO)C=C1"]
["31916189","COCC(C)Nc1ccc(NC=C2C(O)=Nc3ccccc32)cc1C(F)(F)F"]
["175004267","COC(=O)C1=C(CCN(C)C)N(C)C(CCN(C)C)=C(C(=O)O)C1c1ccc(C(F)(F)F)cc1"]
["30006990","CC(C)(C)CC(C)(C)C1=CC(O)(C(C)(C)C2(O)C=C(C(C)(C)CC(C)(C)C)C(O)=CC2)CC=C1O"]
["56471640","CC(C)(C)c1cc(=NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH][nH]1"]
["32070973","CC[Si](CC)(CC)N1C=C(CCN=C(C)[O-])C2=C=C(OC)C=C[C]21.O=C(O)C(F)(F)F.[Hg+]"]
["88142176","CCOC(=O)C1=C/C(=C2\\C=CC(C(F)(F)F)=CC2=O)NN1C"]
["70571581","CC12CCC3c4ccc(O)cc4CCC3C1CCC2(O)C#CCCCCC#CC1CN=C(O)N=C1O"]
["179318585","C1=NNC=c2[nH]c(=c3cc4c(nn3)=NC([n+]3cnc5[nH]ccc5c3)=C4)cc21"]
["26643697","c1cc2cc[nH]c2nn1"]
["115091998","OC(=Nc1nccc(Cl)n1)c1ccc2cc[nH]c2c1"]
["94494561","CCCCS(=O)(=O)Nc1ccc(OCC)c(CBr)c1"]
["175393050","C[Si](C)(C)c1ccc(Nc2ccc(Cc3cc[nH]c(=N)c3F)nc2)c(F)c1"]
["169686768","CN1CCCC2(CCN(c3ncnc4[nH]ccc34)C2)C1"]
["105294349","O=C(O)[C@H](Cc1cnc2[nH]ccc2c1)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["117156766","Cc1nc(CN2CCC(Cc3cnc4[nH]ccc4c3)C2)co1"]
["172495243","CNc1ccc2ncc(-c3ccc4cc[nH]c4n3)n2c1"]
["181772064","CN(C)CCC1(N)N=CC(c2cnc3[nH]ccc3n2)=C(N[C@H]2CCCN(S(C)(=O)=O)C2)N1"]
["150057085","OC(CC(C1CCCCC1)C1CCCCC1)=NCc1cnc2[nH]ccc2c1"]
["117490939","CCCCS(=O)(=O)Nc1ccc2[nH]ccc2c1"]
["172044162","c1cc2cc(c1)C1CCP3c4cccc(n4)P4CCC(c5cccc1c5)c1cccc(c1)-[n+]1c(cccc13)P(CC2)c1cccc4n1"]
["108554697","C[C@H](C#N)c1cccc([C@@H]2NCCc3c(F)cc(F)cc32)c1"]
["134419668","CC1CCc2c(F)cccc2C1NC(O)=NC1CCCC(C(=N)O)C1"]
["86620737","Oc1ccc2c(n1)CCCC2NC1CC1c1ccccc1"]
["24080104","Cc1ccc(C(=O)N2CCC(C3(Cc4cccc(F)c4)N=C(O)N(CC(C)C)C3=O)CC2)c(C)c1"]
["9589942","COCCN=C(O)c1cccc(CSc2nc(C(C)C)cc(N3CCCC[C@@H]3C)n2)c1"]
["63764103","Cc1nn(-c2ccccc2)c(C)c1CN=C(O)NC1CCc2cc(Cl)ccc21"]
["30508263","CCCCC1=NN(C(O)=NC(C)(C)c2ccccc2)CC1c1cccc(F)c1"]
["90592982","COC(=O)C1Cc2cccc(c2)CCCCCC(C(=O)O)N=C1O"]
["125312368","CC(C)c1ccc2c(c1)C(NC(=O)C(=O)Nc1cccc(-c3ncon3)c1)CC2"]
["48400629","O=C(NC1CCc2ccccc21)c1cc2cccc(Br)c2o1"]
["163042964","O=C1COCC1c1cccc(F)c1"]
["75521118","COc1cccc(C2=NC(c3ccccc3[N+](=O)[O-])(C3(c4ccccc4[N+](=O)[O-])N=C(c4cccc(OC)c4)C(c4cccc(OC)c4)(c4cccc(OC)c4)N3)N=C2)c1"]
["13169425","COc1cc(CN=C(O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1"]
["MCULE-5907513054","COc1cccc(-c2nc(-c3ccc4c(c3)oc(=O)n4C(=O)C=CC(=O)O)cs2)c1"]
["152429425","COc1ccc([N+](=O)[O-])cc1N=C(O)/C(C#N)=C/c1ccccc1C(=O)O"]
["MCULE-2790796658","COc1cccc(-c2nc(Nc3ccccc3C(C)C)cc(N3CCN(C(=O)C4CCCCC4)CC3)n2)c1"]
["191166756","CC1(C)c2ccccc2-c2c1cc(-c1ccccc1)c1c2oc2c(I)cccc21.CC1(C)c2ccccc2-c2c1cc(-c1ccccc1)c1c2oc2ccccc21"]
["MCULE-5801130913","COc1ccc(C2=C(NCc3cccnc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1"]
["MCULE-2648391500","COc1cc(N=C(O)C(C(C)C)N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1"]
["171157806","COc1cccc(C(=O)N2CCN(Cc3cnc[nH]3)c3ccc(-c4ccccc4)cc3C2)c1.Cl.Cl"]
["47588783","COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2cccs2)c1"]
["82365273","COc1cccc(C2C(CC=CCCCC(=O)[O-])CCN2S(=O)(=O)c2ccc(F)cc2)c1.[Na+]"]
["MCULE-9917044939","COc1nccc(=NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)c(F)c2)[nH]1"]
["175751392","C=C([C-]=CN=[C-]C1CCCC1NP)/C=C\\C(=C)C(=C)/C=C\\C(=C)C=CN=[C-]C1CCCC1[NH-].[Y].[Y]"]
["144585087","C=C/C(F)=C\\C(F)=C1/CC(C(=C)N[C@H](N[C@H]2CCC[C@@H](N=C(O)c3cn(C=C)cn3)C2)/C(F)=C\\N)=CN1"]
["144804417","O=C(O)C(CNC1CCC1)C1CCSCC1"]
["151206567","NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccccc2F)o1"]
["172841702","CCC(=C[Si+]=c1ccc(=C([O-])OOOC(=O)OC2CCC(C)C(C)C2)cc1)CC"]
["146524780","C=C(Cl)CNC(=NCC)NC1CCN(C(=O)C2CCCCC2)C1.I"]
["8592496","C=CCn1/c(=N/C(=O)CCC2CCCC2)sc2cc([N+](=O)[O-])ccc21"]
["115800417","OC(=N/C=C/C1CCCC1)Nc1cccc2cccnc12"]
["75089064","C=C(S/C=C(\\C)C(=O)N(CC)C1CCCCC1)C1CCN(C(=O)C2=C(C)CN=C2c2ccccc2)CC1"]
["112757215","CCSC1CCCC1Nc1ccc(S(N)(=O)=O)cc1"]
["8071847","CC(C)(C)[C@H]1CCCC[C@@H]1NCc1ccc(C([NH3+])=O)cc1"]
["74141753","C=C(C)C(=O)OC1(C2CCCC2)CCc2c(F)cccc21"]
["76152669","O=C(CC=C1C=C[CH-]C=C1CSC1=C=CCC=C1)OCSCCOCCSCC1=CC=CC=[C+]1"]
["MCULE-5604526622","CCCOC(=O)c1ccc(NC(=O)COc2cn(CCCOC)c(CSCCO)cc2=O)cc1"]
["169950592","N=C(N)NOCCOCCN=c1cc2c(c[nH]1)-c1ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c1COC2"]
["198395858","CCOC(=O)C1(CN2CCC3(CCc4c(C(=N)N)cccc43)C2)CC1"]
["32629053","O=C(O)CCC(=O)OCCOCCOCCOCCSC1=CSC(=C2SC3=C(SCCS3)S2)S1"]
["13710335","CCOC(=O)Cc1nc2ccc([NH3+])cn2c1CN1[C@H](C)CCC[C@@H]1C"]
["60945452","Cc1ccc(C(=O)COC(=O)c2ccccc2CSC2=NCCS2)s1"]
["167537172","O=C(OCCCCCCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12"]
["MCULE-4043282405","CCCCCCOC(=O)c1ccccc1C(=O)N1CCS(=O)(=O)CC1"]
["140505050","CC(C)(C)OC(=O)CSCC(=O)OCc1csc(Br)c1"]
["MCULE-9216746270","CCCOC(=O)COc1cn(CCOc2ccc(OC)cc2)c(CSCCO)cc1=O"]
["MCULE-8085121318","CCOC(=O)COc1cn(CC)c(CSCCO)cc1=O"]
["33214127","O=C1/C(=C/c2cccc(F)c2)S/C(=N\\c2ccc3oc(=O)ccc3c2)N1c1ccc2oc(=O)ccc2c1"]
["76501863","CC(=C1SC(=Nc2cccnc2Cl)N(C)C1=O)c1ccc(F)cc1"]
["103596540","Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O[C@@H](C)C(O)=Nc2cccc(F)c2)cc1"]
["154422812","COCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)S/C1=N\\c1ccccc1"]
["MCULE-9139205228","CCC1=NN(C)C(=O)C1=Cc1cccc(Br)c1"]
["181193319","CCCC([O-])=NC(CO)C(O)CCOc1ccc2ccc(=O)oc2c1"]
["22937807","CCOc1cccc(N2C(=O)C(=Cc3cc(I)cc(I)c3O)C(O)=NC2=S)c1"]
["80483051","Cc1cc2c(cc1C=C1SC(=Nc3ccccc3)N(CC3CCCO3)C1=O)C(C)CC(C)(C)N2C"]
["4434497","Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(I)cc1"]
["33694435","O=C(/C=C/c1ccc(Cl)cc1)c1c(O)ccc2ccc(=O)oc12"]
["157272857","O=C(/C=C\\c1ccccc1)N1[C@H]2CC[C@@H](C2)[C@H]1C(O)=Nc1ccc2c(c1)OCCCO2"]
["MCULE-9073772864","O=C(O)C1CCCN(C(=O)CN2C(=O)SC(=Cc3ccccc3)C2=O)C1"]
["170841104","CC(COCC(C)(C)C(CC(C)(C)OCC(C)C(C)(C)N1COCOC1)C(C)(C)OCC(C)C(C)(C)N1COCOC1)C(C)(C)N1COCOC1"]
["177824484","CCCCCCCCCCCC(=O)C(C)(C)OCC(C)(C)OCC(C1OCC(C(C)C)[C@@H]1OCN(C)O)C(C)(C)OCC"]
["170701484","CC(C)OC(C)(C)CC(C)(C)C1CN(C(=O)C(C)(C)CC(C)(C)C(C)C)C1"]
["32325245","C[C@H](COC1CCCO1)C(C)(C)OC(=O)C(F)(F)F"]
["91977468","CC(C)(CBr)OCC(F)F"]
["127931449","C[C@@H]1CN(C(O)=NC(CC(C)(C)C)C(F)(F)F)C[C@H](C)O1"]
["25565871","CC(C)(COCC(O)CCl)COCC(O)CCl"]
["194512565","CC(C)CC(C)(C)N1CC2(COC2)C1"]
["101618454","CC(C)N.CCc1cc(C)cc(CC)c1-c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2"]
["84579084","CCC(C)(C(N)c1cc(C)cc(C)c1)N1CCOCC1"]
["3635226","COc1cc(NC(=O)C(=O)N[C@@H](C)COCC(F)(F)F)cc(OC)c1OC"]
["51392142","CC(C)C(CNC(C)(C)C)OC(C)C(F)(F)F"]
["53399812","S=C1C=CC=CC1=CNc1cccc2c1NC(=C1C=CC=CC1=S)C=C2"]
["80908266","O=C1C=CC(Cc2ccccc2Cl)=CC1=CNc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1"]
["68676830","Nc1ccc2c(c1)C(=C1C=Cc3ccccc3N1)C(O)=N2"]
["76490551","CCC(C)N1C(=O)C(=CNc2cccc(Cl)c2Cl)C(C)=C(C#N)C1=O"]
["45364490","OC1=Nc2cc(-c3ccccc3F)ccc2C1=C1C=Cc2ccccc2N1"]
["63309550","COc1ccccc1N1C(=O)C(=CNc2ccccc2Cl)C(O)=NC1=S"]
["53856478","O=C1C(=CNc2ccc(Br)c3cccnc23)C=CC=C1[N+](=O)[O-]"]
["46880818","NC(=S)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1"]
["80908540","COc1ccc(N=C2C(=C3C=CC=CC3=O)N=C3C=NC(Br)=CN32)cc1OC"]
["103946587","CC1=NN(c2ccccc2)C(=S)/C1=C\\Nc1ccccc1N/C=C1/C(=S)N(c2ccccc2)N=C1C"]
["69588073","CC1(C)C=CC2=CC(=CNc3ccccc3-c3ccccc3NC=C3C=C4C=CC(C)(C)OC4=CC3=O)C(=O)C=C2O1"]
["177577039","N=C(O)C1=CC(F)=C(F)/C(=C/Nc2ccc(C3(O)CCCNC3)cc2)C1=N"]
["175156566","O=Cc1ccc(COC(=O)c2ccc(COC(=O)c3ccc(C(=O)OC(=O)c4ccc(C=O)o4)o3)o2)o1"]
["199030735","N=c1cc(COC(=O)c2cc(F)c(F)c(F)c2F)cc[nH]1"]
["30097069","O=C(O)CCC/C=C/c1ccc(Cc2ccc(Cl)cc2)s1"]
["85522552","CCCC1SCC(C(=O)O)N1C(=O)c1ccc(CN)o1"]
["MCULE-4400674114","CCCCS(=O)(=O)N(Cc1ccc(C(=O)OCC)o1)C(C(=O)Nc1ccc(N(C)C)cc1)C(C)C"]
["118659266","CN=C(NCCCOCC1CCCO1)NCc1ccc(C(N)=O)o1"]
["126617389","COc1ccc(C(C)=CC(=O)OCc2nc(C)c(C)o2)cc1"]
["113840221","COC(=O)c1ccc(C(O)CCc2ccccn2)o1"]
["45709180","Cc1cccc(C)c1OCc1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)o1"]
["85522939","CCC(CC)(CO)NC(=O)c1ccc(CN)o1"]
["164977334","CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1"]
["MCULE-1973129697","CCC(C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(Cl)s1"]
["97587721","F[B-]1(F)OC(=C2C=CC(=[Cl+])C=C2)C2=C(O1)/C(=C/C1=C(Cl)/C(=C/C3=C4O[B-](F)(F)[O+]=C(c5ccc(Cl)cc5)[C+]4CC3)CCC1)CC2"]
["22471083","O=C(N=c1nc2n([nH]1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=[NH+]2)c1ccc(F)cc1"]
["76172914","Clc1ccc(-c2noc(C=C3CC[CH]CC3)n2)cc1"]
["28052287","Cc1c(-c2nnc(C3CCCO3)s2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]
["179361753","CCOCC(OC1=CC(C)=C(OCC(=O)O)CC1)c1cccc(-c2ccc(Cl)cc2)n1"]
["187359043","FC(F)(F)c1cc(-c2ccc(Cl)cc2)oc1Cc1ccccc1"]
["89281885","Cc1ccc(-c2nc(-c3ccc(Cl)cc3)c(N)s2)cc1"]
["1030113","Cc1sc(N=C(O)C2=COCCO2)nc1-c1ccc(Cl)cc1"]
["15701177","OC1=NN=C(c2ccc(Cl)cc2)[C@@H]2CCCC[C@H]12"]
["74366392","Cc1cc(O)c(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)o1"]
["153367966","Clc1ccc(C2=NNC[C@H]2c2ccc(Cl)cc2)cc1"]
["164514203","Clc1ccc(-c2c3c(nc4ccccc24)SCC3)cc1"]
["199415323","[B+]CCCSCC(N=C(O)CCOCCCC(=O)C(CSCCC[B+])N=C(O)CCOCC[CH-]C(=O)C(CSCCC[B+])N=C(O)CCOCCC[C-]([O-])C(CSCCC[B+])N=C(O)CCOCCCC([O-])CN)C(=N)O"]
["124238078","COC(=O)c1sccc1N=C(O)CCCOCCc1ccccc1"]
["191550029","CCCCCCCCCCCCCCCC(=O)CCCOCCOCC(O)=NC(CCC(=O)O)C(=O)OC(C)(C)C"]
["193641561","CCC(CC)[C@@H](N=C(C)O)[C@@H]1[C@H](NCCOCCCC(C)CCCOCCN[C@H]2[C@@H]([C@H](N=C(C)O)C(CC)CC)[C@H](NC(=N)N)C[C@@H]2C(=O)O)[C@@H](C(=O)O)C[C@H]1NC(=N)N"]
["143390567","O=S(=O)(N=C(O)CCCOCCc1ccccc1)c1ccc(Cl)cc1"]
["34161582","CCCCCCCCCCCCCCCC(O)=N[C@@H](CSCCC)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(=O)O"]
["176617347","CC1CCCOC(=O)CC(OC(=O)CSCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC=O)C(C)(C)C(=O)C(C)[C@@H](OC(=O)CSCC(N=CO)C(O)=NCC(=O)O)C(C)CCC1"]
["154004610","Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](N=C(O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C(=O)OCCOCCN(C)C)cc1"]
["175917107","CNC(CSCC(O)=NCCNSCCC(O)C(O)C(O)=NCCN=C(O)CSCC(N=C(O)CC(C)(C)OCCC(C)(C)COCCC(=O)C(C)(C)C)C(=O)O)C(=O)O.CO.CO"]
["18953602","CCCCCN=C(O)[C@@H](C#N)C(=O)CCCOCCc1ccccc1"]
["170199075","CC(C)(C)C(c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)N(CCCN)C(=O)CSCC(N=C(O)CCOCCOCCOCCOCCN=C(O)CCCCCN)C(=O)O.O=C(O)C(F)(F)F"]
["12186115","CCOc1ccc([C@@H](C)N=C(O)CCOCCOC)cc1"]
["163493703","CCNCc1cncc(-c2cnc3n[nH]c(C4=Nc5c(cncc5N5C=C(C)N(C)C5)NC4)c3c2)c1C"]
["194742404","COc1ccc(-c2[nH]nc3ncc(Br)cc23)cn1"]
["200622348","Cc1noc2ncc(-c3cc4c(N[C@@H](c5ccc6c(c5)OCCO6)C(C)C)[nH]cnc-4n3)cc12"]
["57475494","CCNCc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Cl"]
["92216558","CCCn1cc(Oc2cccc(CNCC)c2)cn1"]
["119141537","CCN=C(NCCNS(=O)(=O)c1cccnc1)N1CCN(c2ccccc2O)CC1.I"]
["68204506","CCNCc1n[nH]c(CC)c1C"]
["126603043","Cc1cncc(CNC(c2nccn2C)C2CC2)c1"]
["43867606","CCNCc1cc(OCC)c(OC)cc1Cl"]
["61176321","CCNCc1ccc(Br)cc1-n1nc(C)c(Br)c1C"]
["154666552","Cc1ccncc1-c1cc2c(c(C3CCCN(c4nccc5c4=C/C(=C4/NNc6cnc(-c7cncc(N=C(O)C(C)(C)C)c7)cc64)N=5)C3)n1)NN/C2=C1/C=c2c(N3CCCCC3)nccc2=N1"]
["91769982","CCNCc1cc(CC)nc(N2CCN(CC)CC2)c1"]
["183530898","CCC[Si](CCC)(CCC)SC(S[Si](CC)(CC)CC)(C(CCC(C)(C)S[Si](C(C)C)(C(C)C)C(C)C)S[Si](C)(C)C)[Si](S#[N+]N=[N-])(C(CC)(CC)S[SiH2]C(C)C)C([SiH2]C(C)(C)C)(S[SiH2]C(C)C)S[SiH](C)C"]
["736492","CCc1ccccc1N=C(O)CSc1nnc([C@@H](N=C(O)OC(C)(C)C)C(C)CC)o1"]
["181169546","CC(C)CCCSC(C)(C)C(C)(C)S#[N+]N=[N-]"]
["9123973","CC[C@@H](C)[C@H](N=C(O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1"]
["182425009","CCCC(C)(C)OC(=O)SC(C)CC(CC)OC(=O)SC(SC(=O)OCC(CC)CC)(SC(=O)OCC(C)C(C)C)C(C)(C)C(C)(OC(=O)S#[N+]N=[N-])SC(=O)OC(C)(C)C(C)C"]
["183584683","CC#CSC(CCCCCCS#[N+]N=[N-])SC#CCC"]
["116667152","CCCCC(CN=C(O)OC(C)(C)C)NC(=NC)NCc1cccnc1N(C)C.I"]
["182127288","CC(C)(C)c1cnc(CS#[N+]N=[N-])o1"]
["182137632","CCC(C)(S#[N+]N=[N-])C(C)SC(S)C(C)(S)S"]
["182130215","CCCOC(OCC)(S#[N+]N=[N-])C(OC)C(OC(C)C)(OC(C)(C)C)SCC"]
["195220169","CCC(C)C(N=C(O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1.CN(C)C=O"]
["9807218","CCC[C@H](C)N=C(O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N"]
["177482749","C#CC1=CC2=[PH](C=C1)OB1Oc3ccc(C#C)cc3C3=C4C=C[PH]5=C6C4=C(C=C[PH]6=CC(C(C)(C)C)=C5)[PH]2=C13"]
["142868376","C#CCCCCNC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1"]
["177873611","C#Cc1ccc2c(c1)-n1nnc(COCc3ccccc3C(F)(F)F)c1Cc1c(C#N)ncn1-2"]
["32714281","C#Cc1ccc(S(=O)(=O)N2Cc3nccnc3C[C@@H]2C(=O)O)cc1"]
["108067832","C[C@@H](N=C(O)CSc1nnc(C(C)(C)C)o1)c1ccc2c(c1)CC(O)=N2"]
["196606366","C#Cc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"]
["196866460","C#Cc1ccc(-c2ccc(-c3ccc([O-])c(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(C5=C=C(c6cc(-c7ccccc7)ccn6)C=C(C(C)(C)C)C5)n4)c3)cc2)cc1.[Pt]"]
["161865004","CC1=C(c2ccc(Cl)cc2)/C(=C2\\C=Cc3oc(=O)c(-c4nc(-c5ccccc5)cs4)cc3C2=O)ON1"]
["33087957","C#Cc1ccc2c(c1)C=CC1(O2)N(CCCI)c2ccccc2C1(C)C"]
["33815908","C#Cc1ccc(OCCCN2CC3CCC2CC3)c(CC=C)c1.Cl"]
["149840481","C#Cc1ccc(C=O)c(-c2cscc2C#C)c1"]
["194766928","C#Cc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)C1)C(O)=N2"]
["184532019","C=C(Sc1ncnc2cscc12)N(C)/C=C/C1=C2[N-][CH+][N-]C(Sc3ncc[nH]3)=C2C=I1"]
["50897712","CN(c1ccccc1)c1ncnc(Sc2cccc3cccnc23)c1N"]
["73573789","COc1ccccc1Oc1ccccc1NC(=O)C(=O)Nc1nc(C(N)S(C)(=O)=O)c(Sc2ncc[nH]2)s1"]
["111740251","COc1c(N)nsc1NCc1ncc[nH]1"]
["170677710","CN=c1[nH]cc(-c2nc3cc(N(C)C(C)=O)ccc3o2)c2cc(N=C(O)C3CC3)ncc12"]
["200230173","FC(F)(F)c1ncc(N=c2[nH]ccnc2Cl)cn1"]
["114673647","NCc1cnc(Sc2ncc[nH]2)cn1"]
["85655796","CCOc1ncnc(Sc2ncnc3ccccc23)c1N"]
["197840886","CN(Cc1nc[nH]n1)S(=O)(=O)c1ncc[nH]1"]
["65397226","c1ccc2c(c1)CC(Nc1ncnc3cscc13)C2"]
["18946579","CN(Cc1cccc(OC(F)F)c1)Cc1cscn1"]
["175547799","NCSc1ncc[nH]1"]
["9457415","C(=N/c1nnc2n(/N=C/c3ccco3)cnn12)\\c1ccco1"]
["135455096","CC(=O)N1CCC(C(O)=Nc2ccccc2C(O)=NCc2ccco2)CC1"]
["80762408","NC(=O)c1ccc(OC(=O)C(=Cc2ccco2)n2nnnc2-c2ccccc2)cc1"]
["103915788","CC(/C=N\\N1CCN(Cc2ccc(Cl)cc2)CC1)=C/c1ccco1"]
["MCULE-3149553825","OC(CCc1ccccc1-c1cccc(N2CCOCC2)c1)=Nc1ccccc1F"]
["131046434","Cc1nc(N2CCOCC2)ccc1N=C(O)Cc1c(C)[nH]c2ccccc12"]
["22167208","Cc1[nH+]ccn1Cc1ccc(NC(=O)CN=C(O)/C=C/c2ccco2)cc1"]
["11693024","OC(=NC[C@@H]1CCCO1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1"]
["32213147","OC(=Nc1ccc(Cl)c2nonc12)c1ccccc1"]
["136868167","O=S(=O)(CCN=C(O)C=Cc1ccco1)NCC1CCCCO1"]
["117205314","Sc1nncn1/N=C/c1ccc(Br)o1"]
["3081136","CSc1ccccc1N=C(O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F"]
["187665403","C=CCOC1=CC(OCC=C)[C@@H](OCC=C)c2c(OCC=C)cc(O)c(-c3c(O)cc(OCC=C)c4c(OCC=C)c(OCC=C)cc(OCC=C)c34)c21"]
["137922648","C=CCOc1cc(OC)ccc1C(=O)N1CC(O)C1"]
["149876595","C=CCOc1ccc(CCCCc2n[nH]c(=N)s2)cc1C(F)(F)F"]
["129517352","C=CCOc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1Cl"]
["176671219","C=CCOc1ccc(-c2ncc(CCC)cn2)cc1F"]
["150869532","C=CCOc1ccc(C=Nc2cc(C)ccc2C)cc1OC"]
["131713831","COc1cc(CNC(c2ccc(Cl)cc2F)C(C)C)ccc1O"]
["MCULE-9481879728","C=CCOc1ccccc1OCc1nnc(S)n1N=Cc1cccc(C)c1"]
["32727356","C=CCOc1c(OC)cc(CC=C)cc1OC"]
["73559989","C=CCOC(=O)c1ccc(OCC=C)c(N=C(O)[C@@H]2C[C@@H](C(C(=O)S)C(=O)OCC=C)CN2)c1"]
["143844347","C=CCOc1ccc(CN2CCN(Cc3cc(C)no3)CC2)cc1OC"]
["48162102","C=CCOc1cc(C)c(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)O)C2)cc1[N+](=O)[O-]"]
["79644811","[CH2+]CC1([N-])C(C[CH2+])(C[CH2-])C(C)(C)N(C)C(C)(/C(C[CH2-])=N/C2CC(C)(C)N(C)C(C)(C)C2C2=NC(=[N+]3CCOCC3)N=C=N2)C1(C[CH2+])C[CH2-]"]
["130377139","CCCCC(CCC)CNC(=O)C(O)=Nc1ccnn1CC1CCOC1"]
["174427127","CC1=CC2C(=C(N3CCC(N=C(O)C4CCOCC4)CC3)N=C(c3ccccc3N=O)N2C)C=C1"]
["130997171","Cc1cnc(CCN=C(O)NCCN2CCOCC2(C)C)s1"]
["77086616","CC1C([Si](C)(C)F)C(CCn2cc(CCO)nn2)OC12C(=O)N(Cc1ccc(N3CCOC3=O)cc1)c1ccccc12"]
["178536064","CSC1(C2=CC(N3CCOC[C@@H]3C)=NC(c3ccc([NH2+]C(O)=NC4CC4)cc3)N2)CCCC1"]
["49099747","C/C(C[C@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21)=N/O"]
["158329104","C[C@@H]1CCCC[C@]12N=C(O)N(CC(O)=N[C@@H]1CCOC(C)(C)C1)C2=O"]
["174659263","[O-]C(N=Ic1ncc(F)c(=[N+]2CCOCC2)[nH]1)=C1C=CC(Nc2cccc(-c3ncccn3)c2)=CN1"]
["163833590","CC(C)C1N(C)CC12C[C@@H](O)[C@H](N=C(O)c1ccnc(O)c1)C2"]
["126812279","Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(O)=NC1CCCOCC1"]
["67570982","CCCN1c2cc(OC)c(C=C3C(O)=NC(=O)N=C3O)cc2C(C)CC1(C)C"]
["180250589","C1=C[NH+]2c3scc4c5ccn6c7scc8c9ccn%10c%11scc%12c1c2c1c(c34)c(c(c87)c(c1c%12%11)c9%10)c56"]
["48624909","O=c1c2c(O)cccc2n2nc(CNCCOCCO)c3ccc(NCCNCCO)c1c32"]
["46682285","CCN(CC)n1ccc2c(N)csc21"]
["61468226","C/C=N\\N(C(=O)N1CCC(C(=O)OC)CC1)c1csc(-c2ccc(Cl)c(Cl)c2)c1O"]
["134889079","Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)CCn3cccn3)cc12"]
["50593138","CNCc1cccc2c1ccn2Cc1csc(C)n1"]
["62358486","Cc1nn(CN(C)Cc2ccsc2)c(=O)c(C#[NH+])c1C"]
["176329049","COc1cnc(Br)c2c1ccn2S(=O)c1ccccc1"]
["68448150","CCc1nc(Cn2ccc3c(CNC)cccc32)cs1"]
["29054473","c1cn2c3c1c1ccc4n5ccc6c5c5c(c3c3c7c8c(ccn8c8ccc6n8c57)c5ccc2n53)n14"]
["26741882","Nc1scc2c1c(=O)oc1cc(N3CCOCC3)ccc12"]
["61637496","CCC(C)c1ccc(NCc2c(C)nc3sccn23)cc1"]
["103023419","COCCCCCC[C]1C=CC(=c2sc(=C3C=C=S=C3c3cc(-c4ccc(CCCCCCOC)s4)c(-c4ccc(CCCCCCOC)s4)s3)cc2-c2ccc(CCCCCCOC)s2)S1"]
["101084117","CCCCc1ccc(-c2sc(-c3ccc(CCCC)s3)c(-c3ccc(CCCC)s3)c2-c2ccc(CCCC)s2)s1"]
["172142670","CCCCCCc1ccc(-c2ccc(C)[se]2)s1"]
["125728011","COCc1cc(F)ccc1NCc1cnoc1-c1ccc(Cl)s1"]
["120363737","COCCCCn1ccc(CNCC(C)C)c1C"]
["174511642","COCCCCCc1c(Cl)cc(C)cc1Cl"]
["179251601","C=Nc1cc(-c2cc(C(=O)c3ccccc3)ccc2I)c(I)cc1-c1ccc(CI)s1"]
["91463265","CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCCCCC)s6)s5)cc4)cc3)s2)s1"]
["184781799","CCCCCCc1ccc(CCc2ccnc(-c3cc(C(F)(F)F)n[nH]3)c2)s1"]
["156264973","CCCCCCc1ccc(-c2ccc[nH]2)s1"]
["176015802","CSC(CCCCCc1ccc(-c2ccc(C)s2)s1)C(O)=NO"]
["24156547","CCCN1C(=O)C(=c2sc3n(c2=O)C(c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c2ccccc21"]
["180463070","C=P(=C1C=CC=CC1=C1C=CC=CC1=O)C(O)c1ccc(Oc2nc(Oc3ccc(C(O)[P+]([O-])=C4C=CC=CC4=C4C=CC=CC4=O)cc3)nc(Oc3ccc(C4[NH2+]c5ccccc5[NH2+]4)cc3)[nH+]2)cc1"]
["149019188","N=C1NN/C(=C2/C=CC=CC2=O)C=C1N1CC2CC1CN2c1ccccn1"]
["99764071","CC1=CNN2C(NCCNC(=O)c3cccs3)=C/C(=C3/C=CC=CC3=O)N=C12"]
["51023402","CCc1ccc(C2C3=C(NN/C3=C3/C=CC=CC3=O)C(=O)N2CCc2ccc(OC)cc2)cc1"]
["56700723","O=C1C=CC=C/C1=C1\\C=Nc2[nH][nH]c(=NC(=O)c3cccc(C(=O)O)c3)c2N1"]
["110963363","CN1C(=C2C=CC=CC2=O)N(C)c2ccccc21"]
["99640315","O=C1C=CC=C/C1=C1/C=C(C(O)=N[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)N(CC(O)CO)N1"]
["83560770","CCC(C)(C)c1ccc(OC2=NC(=C3C=CC=CC3=O)N=C3C=CC=CC32)cc1"]
["76716946","O=C1C=CC=CC1=C1CC(c2ccccc2)NC(NN=Cc2ccc([N+](=O)[O-])cc2)N1"]
["182168905","CC1=C(C(=O)O)[C@@H](c2cccc([N+](=O)[O-])c2)N(C(O)=NC(C)c2ccccc2)C(O)=N1"]
["154748223","CCCOc1ccc(C2C3=C(NNC3=C3C=CC=CC3=O)C(=O)N2CCO)cc1OCC"]
["165145100","CC1=CC(N(C)N/C(C)=C2\\C=CC=CC2=O)=N/C(=C2/C=CC=CC2=O)N1"]
["172910683","C1=CC=[C-]C2=[C-]CC=C(n3cc4ccc5cn(-c6cccc7c6=C=CCC=7)[cH-]n-5n-4[cH-]3)C=12.[Pt+4]"]
["MCULE-1502840933","COc1cccc(C2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2c2cccc(C)c2C)c1"]
["53807794","Cc1cccc(N=C(O)Cn2c3c(sc2=O)[C@H](c2ccc(Cl)cc2)C2C(=O)N(c4ccc(Cl)cc4)C(=O)C2S3)c1"]
["5829637","O=C1CS[C@@]2(C(=O)N(CC(O)=Nc3cccc(Cl)c3)c3ccccc32)N1c1ccccc1"]
["27615289","NC(Cn1nc(Cc2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2Cl)c1=O)c1ccccc1"]
["69459415","C=CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]1[C@H]1CCCN12"]
["150706440","N=c1cc(Cc2cnn(-c3cccc(Cl)c3)c2)c2c([nH]1)NNN2"]
["20245002","Cc1cccc(N2CCN(Cn3c(S)nnc3Cc3cccs3)CC2)c1C"]
["199189277","CN1CN2C3=C=CCC=C3N(C)c3cccc1c32.[CH2-]C(=O)[CH-]C(C)=O.[Ir]"]
["18177877","O=C1CS[C@@]2(C(=O)N(CC(O)=Nc3cccc(Cl)c3)c3ccccc32)N1c1ccc(F)cc1"]
["115570424","COc1ccc(Cl)c(/C(O)=C2\\C(=O)C(=O)N(c3ccc(Cl)c(Cl)c3)C2c2ccccc2F)c1"]
["109115992","COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)c4sc(=O)n(CC(O)=Nc5ccccc5)c4S[C@@H]3C2=O)cc1"]
["62032484","[B+]=[O+]c1ccc(C(C)(C)c2ccc([O+]=[B+])c(N=C(O)C3=[C-]C(C(O)=Nc4cc(C(c5ccc([O+]=[B+])c(N6[C-]([O-])C7C8[C-]=CC(C8)C7[C-]6[O-])c5)(C(F)(F)F)C(F)(F)F)ccc4[O+]=[B+])CC=[C-]3)c2)cc1N=C(O)C1=[C-]C(C(O)=Nc2cc(C(C)(C)c3ccc([O+]=[B+])c(N4C([O-])C5C6[C-]=CC(C6)C5C4[O-])c3)ccc2[O+]=[B+])CC=[C-]1"]
["172617908","OC(=Nc1ccc(C(F)(F)F)cc1F)C1CCCC(c2ccc(-c3ccoc3)cc2)C1"]
["MCULE-8220359804","COC(=O)c1ccccc1N=C(O)c1cc(-c2ccc(Cl)cc2)n(C2CCS(=O)(=O)C2)n1"]
["65652017","CCOc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(O)=Nc2cc(F)ccc2F)cc1"]
["78948904","Cc1c(C(O)=NS(C)(=O)=O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NC(CCN6CCC(C(=O)OCCP(=O)(O)O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C(C)C"]
["168923535","CC12C=CC(O)=NC1CCC1C2CC[C@]2(C)C(C(O)=Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12"]
["53628435","Cc1c(N=C(O)C2CCN(CC(O)=Nc3cc(C(=O)N4CCOCC4)ccc3Cl)CC2)cccc1C(O)=Nc1cc(F)ccc1F"]
["69428949","O=C1[C@@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@@H]2C(=O)N1[C@H]1CC[C@@H](C(O)=Nc2cc(Cl)ccc2Cl)CC1"]
["MCULE-6208654677","Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(O)=Nc1cc(C(F)(F)F)ccc1Cl"]
["177107823","N#Cc1ccc(N2C(=O)[C@@H]3C4CC(CN4C(O)=Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)N3C2=O)c2cccnc12"]
["33108414","CC(C)N(C)C1CCC(N2CCC(N=C(O)c3cc(OC(F)(F)F)ccc3N)C2=O)[C@H](CS(=O)(=O)c2ccc(Cl)cc2)C1"]
["316101","CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)C(O)=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1"]
["184830993","[C-]#[N+]c1cc2c3c(c1)N(CCC[C-]1C=C4C=CC1=CCCn1[cH-]n5c6n(oc7cc([N+]#[C-])cc1c7-5)C=CC(=C=6)CCC(CCCC1=CN(C=C=C1)O2)CCC1=C=C2N(C=C1)Oc1cc(=C=[N-])cc5c1=[N+]2[CH-]N5CCC4)CN3.[Ir]"]
["28688952","Cc1c[nH]ccc1=NCc1ccc(OC[C@@H]2CC[C@H]3CN(c4noc5ccccc45)CCN3C2)nc1"]
["195031985","O=C(/C=C/c1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O[C@]3(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2[C@@H]2[C@@]1(C(=O)O)C=C1C[C@@H](CO)C=C[C@]12[C@@]12c3c(O)cccc3CC[C@@H]1CCC[C@H]2CO"]
["188875836","O=C1N=C(O)CCC1N1Cc2cc(CCN3CCC(/C=C/c4cnc(N5CCN6c7cc(-c8ccccc8O)nnc7NC[C@H]6C5)nc4)CC3)ccc2C1O"]
["200077812","C[C@@H]1CN(c2cc(F)c(C3=CCCN(c4ncc(CN(C)C)cn4)C3)cc2Nc2ncnc(Cl)c2N)C[C@H](C)N1C"]
["170330588","C[C@@H]1CN(C[C@H]2CN(c3ccc4c(c3)CN([C@@H]3CCC(O)=NC3=O)C4=O)CCO2)C[C@H](C)N1C(=O)N1CCN2c3cc(-c4cccc(F)c4O)nnc3NC[C@@H]2C1"]
["198253538","N#CC[C@@H]1CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2CCCCc3cc(Cl)ccc3COc3ccc(cc32)C(O)=NS1(=O)=O"]
["173908407","Cc1c[nH]ccc1=NCc1ccc(OC[C@@H]2CC[C@@H]3CN(c4noc5ccccc45)CCN3C2)nc1"]
["65138176","[C-]#[N+]C([N+]#[C-])=C(/C(C#N)=C/C=C/C1=C(N2CCOCC2)/C(=C/C=C/C(C#N)=C(\\c2ccccc2)C(C#N)C=[N-])CC1)c1ccccc1"]
["171141103","COc1ccc(C(CC(O)=NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1"]
["170625026","C[C@H]1CC=CCN(c2cc(-c3ccccc3O)nnc2N)C1.Cc1cccc(OC2CCN(C(=O)CN3CCC(c4cccc5c4N(C)CCN5C4CCC(O)=NC4=O)CC3)CC2)c1"]
["190050062","COc1cc(C(O)=N[C@@H]2CCN(C(=O)CCCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(O)=NC4=O)C5=O)CC3)C2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C"]
["73491982","BrC(Br)(Br)C1N=CN(C(Br)(Br)Br)S1"]
["145248247","COc1cc(Br)nc(C(F)(F)F)c1"]
["150017280","CO[C@@H]1CCNC1c1ccc(C)s1"]
["75631802","[2H]C1=N[N-]SC1[CH2+]"]
["183893170","[N-]=[N+]=NC1SN=CC1Br"]
["174906323","O=C1C=NC(C(F)(F)F)S1"]
["101931827","Br.CC(C)(C)c1ncc(CBr)s1"]
["76053693","CCN1N=CN(Br)C1C"]
["75108031","CN1[CH]N=CC1OC(F)(F)F"]
["25467373","NC1SN=CN1N"]
["CSSS00078542682","CC1CN(C(=O)c2cnc(C(C)(C)C)s2)C1"]
["181335466","OC1=C(O)C(OC2SC=CC(O)=C2O)SC=C1"]
["170939560","O[Si-](O[Si](=[OH+])O[si]1o[si-](O)[o+]1)O[si]1o[si-](O)[o+]1"]
["99849789","CO[Si-](C)O[Si](=[OH+])O[Si@@](O)(OC)O[Si](C)(O)OC"]
["60168451","O[Si-](O[Si](=[OH+])[O+]=[Si-])[O+]=[Si-]"]
["168579677","C[Si-](C)O[Si](=[OH+])OO[Si](=[OH+])O[Si-](C)C"]
["172072749","C[Si](C)(O)O[Si](=[OH+])O[Si-](O)O[Si](C)(C)O"]
["170627235","O[Si-]=[O+][Si-](O)O[Si](=[OH+])O[Si](=[OH+])O[Si](O)O[Si-](O)O[Si](=[OH+])O[Si-](O)[O+]=[Si-]O"]
["168485632","O=C1CC[Ge](O[Ge-]2CCC(=[OH+])O2)=[O+]1.O=[Ge]O"]
["171762226","C[Si](=[OH+])c1cocc1[Si-](C)O"]
["63737615","C[Si-](O)O[Si](=[OH+])O[Si](=[OH+])O[Si-](C)O"]
["172357919","C[Si](=[OH+])O[Si](=O)O[Si-](C)O"]
["99816617","CC[Si](C)(O)O[Si](=[OH+])O[Si-](C)O"]
["91569942","O[si]1o[si-](O)[o+]1"]
["78135259","[TeH]Cc1cc2c([TeH])c-2c1[TeH].[TeH]Cc1ccc([TeH])cc1[TeH]"]
["181192069","[N-]=[N+]=NC[C@@H](N)CC[C@H](N)C(O)=NCCOc1ccc(CS)c(CS)c1"]
["199560329","Cc1cccc(-c2ccccc2C=NNC(=N)O)c1"]
["95820328","Cc1nn(C)cc1CNCc1ccc(Br)cc1F"]
["106857949","O=C(O)C[C@@H](Cl)Cc1ccc(Cl)cc1Cl"]
["25817272","CCc1ccc(C(=O)c2ccccc2)cc1CC"]
["129096823","OC(CCC(F)(F)F)=NCCCc1ccc(Cl)cc1Cl"]
["30760185","CC(C)(C)OC(O)=Nc1ccc(CCCCF)c(C(F)(F)F)c1"]
["89889981","CCN1CCCC(C(O)=Nc2ccc(CN(C)C)c(Cl)c2)C1.Cl.Cl"]
["122271733","CCc1ccc(NC(O)=Nc2ccc(C)c(N=C(C)O)c2)cc1CC"]
["163080135","N#CC(N)Cc1ccc(C(F)F)cc1O"]
["86945910","CC(C)(C)NCc1cc(S(N)(=O)=O)ccc1F"]
["161693487","O=C1C([N+](=O)[O-])=CC([N+](=O)[O-])=C/C1=[N+](/[O-])O[P+]1=[As]/C=C\\C=C/C=C\\1"]
["60648257","O=C1C([N+](=O)[O-])=CC([N+](=O)[O-])=C/C1=C\\NN=C(O)CNc1ccc2ccccc2c1"]
["181550104","[N-]=[N+]=NC1C(=C=O)C=C([N+](=O)[O-])C=C1Cl"]
["103029716","Cc1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1NN=C1C=CC([N+](=O)[O-])=CC1=O.[Na+]"]
["163563762","[2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1C(=O)c1cc(O)c(O)c([N+](=O)[O-])c1"]
["74505433","C=[N+]([O-])C1=CC(F)=CC(C)C=C1[N+](=O)OC"]
["59451390","Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(N/C=C2\\C=C([N+](=O)[O-])C=C(Br)C2=O)c1C"]
["163928461","O=[N+]([O-])[C@@H]1Oc2ccccc2[C@@H]1O"]
["65368693","CCOC1=CC([N+](=O)[O-])=C/C(=C\\NN=C(O)OC(C)(C)C)C1=O"]
["46036107","CCOC1=C/C(=C\\NNc2ccc(Br)cc2)C=C([N+](=O)[O-])C1=O"]
["80506290","O=C1C(=CNN=C(O)COc2cc(Cl)ccc2Cl)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]"]
["159031289","CC(C)(C)[C@H](c1ccc([N+](=O)[O-])s1)N1CCOCC1"]
["174087946","[B+]=C1C(=[B+])C(=[B+])[C-]2C(=[B+])C(=[B+])C(=[B+])C(c3[c-]ccc(-c4ccc(N(c5ccc(-c6cccc7c6O[C-]6[CH-][CH-]CC=C76)cc5)c5cccc6c5C5=CCC=C[C-]5O6)cc4)[c-]3)=C2C1=[B+]"]
["199817616","c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc(-c3cccc4ccccc34)c2)cc1"]
["170215581","CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc4sc5ccccc5c34)cc21"]
["170293181","c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC6CC3C564)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1"]
["186001130","c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(-c6ccccc6)cccc5c4)cc3)c3cccc4sc5ccccc5c34)cc2)cc1"]
["169282118","C1=C2Oc3cccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)c3OC2=CC23c4ccccc4C4(c5ccccc5-c5ccccc54)[C@H]2C13"]
["170216065","CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c21"]
["198421826","c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5sc6ccccc6c45)cc3)cc2)cc1"]
["178321800","C1=Cc2c(-c3cccc4ccccc34)c3oc4ccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6sc6ccccc67)cc5)cc4n3c2CC1"]
["174082253","[B+]=C1CC=C=C2[C-]1c1ccccc1C2(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c1"]
["175803160","CC1(C)c2ccccc2Sc2c(-c3ccc(N(c4ccc(-c5cccc6c5Sc5ccccc5S6)cc4)c4cccc5c4Oc4ccccc4S5(C)C)cc3)cccc21"]
["169617203","C=C/C=C(C(=C/Cc1ccc(N(c2cccc(C3=CC=C4CC(=C3)c3ccccc3O4)c2)c2cccc3ccccc23)cc1)\\c1ccccc1)/c1ccccc1"]
["161747699","N=[C-]NC1=C([C+]=O)N[CH-]N1.[Ni]"]
["171957736","N=[C-]NO.[Y]"]
["174172697","N=[C-]NC1=NCCCC1.[Rb+]"]
["64477872","N=[C-]NO.[CH3-].[W+2]"]
["64098862","COC(=O)c1ccc(OC)c(N[C-]=N)c1.[Y]"]
["26665533","O=[C+]Nc1ccccc1N[C-]=O"]
["168439466","C1=C2N=[Si]=[N+]=C2N[CH-]N1"]
["54278268","CNC1=CC2NC(=N)NC2C=C1Cl"]
["180967465","N=[C-]Nc1[c-]cccc1.[U+2]"]
["57272352","Cn1cc2cccc(C(=N)O)c2n1.O=[C-][O-].[Y]"]
["149087330","N=NC(=O)C1C=Cc2c(cccc2C(=O)N=O)N1"]
["181256389","N=[C-]NC1CC1.[Ti]"]
["170412144","CC(C)c1c[nH]c(=N)cc1-[n+]1[nH]c(=N)cc(-[n+]2cc(N)ncc2C(C)C)c1C(C)C"]
["172288693","C#Cc1c(F)c(O)c(F)c2cc(N)cc(C(C)C)c12.CC"]
["MCULE-6955911333","CCc1c(C(C)C)nn(-c2cc(Cl)ncc2C)c1Cl"]
["122624457","N=c1cc(N)nc(SCc2ncc(Cl)cc2Cl)[nH]1"]
["174764276","CCC(COc1nccc(=N)[nH]1)S(C)(=O)=O"]
["170394899","CC(C)c1ccc(S(C)(=O)=O)cc1C(C)C"]
["73703348","COc1cc2c(=O)c(Br)c[nH]c2cn1"]
["173904270","CNC[C@@H](C)C(C)c1cnc(=N)[nH]c1"]
["MCULE-9008406506","Cc1cnc(-n2nc(C(C)C)c(C)c2N)cc1C1CC1"]
["88163168","COc1ncc2[nH]cc(C(C)N)c2n1"]
["86305006","CCOCCN=c1[nH]cnc(N)c1C(C)C"]
["172620676","CC(c1ccccc1)n1nc(-c2ncc(N)cn2)cc1C(F)(F)F"]
["110878209","PCCP(CCP[S-])CCP[S-]"]
["174593842","CC(C)(C)PN(P)PC(C)(C)C"]
["26627065","CCCCP(CCCC)CCP(CCCC)CCCC"]
["176350878","Cl.NCCP(CCN)CCN"]
["185483810","CCCN(CCC)CCP(CCN(CCC)CCC)CCN(CCC)CCC"]
["149593692","BPCCCCP"]
["66417589","CCCCP(CCCC)CCCC.[Cu+]"]
["175915856","CCCCP(CCCC)CCCC.I[I-]I"]
["79158009","CCCCP(CCCC)CCCC.[N]"]
["25406708","OCCP(CO)CCO"]
["78749839","CCCCP(CCCC)CCCCCP(CCCC)CCCC"]
["198349830","N#CCCP(CCC#N)CCP(CCP(CCC#N)CCC#N)CCP(CCP(CCP(CCC#N)CCC#N)CCP(CCC#N)CCC#N)CCP(CCP(CCC#N)CCC#N)CCP(CCC#N)CCC#N"]
["100367858","[O-][P+](S)=C1CC1"]
["27109205","OC[C]1CC1"]
["102902523","O=[N+]([O-])C1=C(C[Se-])CCCC1"]
["178080934","CC1=C(C)C(O)=C(C)CC1"]
["175176748","NCNC1=C(S)CCCC1"]
["180972339","[O-][P+]([O-])=NS"]
["178937666","CC1CC2=C(C1)CC(S)C2"]
["173115784","C=C(C)[C]1CC1.[Pb]"]
["174037616","CN1CCC([O-])=N1.[Y]"]
["65882591","C=C1CCC12OCCO2"]
["186058077","CC1=C(N)CCN1C"]
["180035783","C=C1CC[S+](I)CC1"]
["174045523","[B]C/C([B+])=C([B+])\\C(=C(\\[B+])C[B])C1[CH-][C-](Br)C(=[B])[CH-]C1[B]"]
["27095422","C#CCn1cc(C[C@@]2(C(=O)O)[C@H](C=C(Br)Br)C2(C)C)cc1[N+](=O)[O-]"]
["173295471","[B]CC(=C)C1C=[C-]C(=[B+])C=C1"]
["173764895","[B]C[C-]1C(=[B])C(=[B+])[C-](C[B])C(=[B+])C1=[B]"]
["175702320","N=C(OCCOC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O"]
["175313839","[B]CC(=O)C1=CC(C)C=C([NH2+]OC)C=C1"]
["199511008","Cc1onc(-c2cccc(Cl)c2Br)c1C(=O)O"]
["145044756","NCC(=O)c1cc2c(c(Br)c1O)CCCCC2"]
["173997917","[B]=C1C=C(/C(=C(/CC)c2ccccc2)c2ccc(N)c(C([B+])=N)c2)C=CC1CCC[NH-]"]
["89534481","NCC(=O)c1cc2c(c(Br)c1O)CCC2"]
["96797020","Cc1cc(C(=O)CBr)oc1C"]
["32440457","Cc1cc2c(c(C)c1Br)C(NCCc1ccccc1)C(O)C(C)(C)O2"]
["185134941","N#C[N-]CCC(O)(O)OC(O)(O)CC(O)(O)O"]
["34497557","CCC(C)(O)CC#N"]
["188155099","CCC[C@](CC)(CC#N)CN=O"]
["78825503","CCOC(=O)C(C)(C#N)CCOC(=O)C(C)(C)C"]
["81783384","COc1ccc([C@@](C#N)(CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)C(C)C)cc1OC.COc1ccc([C@](C#N)(CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)C(C)C)cc1OC.COc1ccc([C@](C#N)(CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)C(C)C)cc1OC"]
["181878418","CCCCC(CCCC)(CC(O)(C#N)CCO)N=[N+]=[N-]"]
["43814369","CNC(C)(C#N)CCCOC(C)(C)C"]
["65381699","CC(C)(N)COCCC(C)(C)C#N"]
["198390725","CCCCCCCC(C)(CCCC)C(O)=N[C@@H](C)C#N"]
["172314411","CCCC(C#N)(OC)OC"]
["92591909","CCCC(C)(C)N=C(O)C(C)(C)C#N"]
["159059174","COC(=O)Cc1ccc(C#N)c(CBr)c1OC"]
["50983283","PPN1CCCC2CN(P)CC21"]
["94510883","ClCc1cc(N2CCCC2C2CCCC2)ncc1Cl"]
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["173678359","COC(=O)CCN1CCN2CCN(C[C@]3(O)CCC[C@H](C)[C@@H](C)S(=O)(=O)N=C(O)c4ccc5c(c4)N(CCCCc4cc(Cl)ccc4CO5)CC4(C)CC[C@H]43)CC2C1"]
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["69544674","OC1=NC(CCl)NN1"]
["174924896","ClCC(CCl)(CCl)CCl.Cl[Si](Cl)(Cl)Cl"]
["171559106","Clc1n[nH]c(Cl)c1[P+](c1c(Cl)n[nH]c1Cl)(c1c(Cl)n[nH]c1Cl)c1c(Cl)n[nH]c1Cl"]
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["178196053","CC[C@]1(CO)OC[C@@H](n2cc(F)c3c(N)nc(Cl)nc32)[C@@H]1O"]
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["19564753","CCN1CCN(Cc2c(C)[nH+]oc2C)CC1"]
["161782125","Cc1[nH+]n(C)c(C)c1C1SCCOCCS1"]
["4602164","Cc1ccc(C(=O)/C=C/c2cnn(-c3ccc(Cl)cc3)c2)o1"]
["79171072","C.[Na+].[cH-]1ssss1"]
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["194335265","[CH-]1CCSC1.[Na+]"]
["78128225","[Na+].[cH-]1os1"]
["69645767","CC(=NO)C(C)(N)Cl"]
["174553484","CC1(C)[CH-]OC(C)(C)O1.[Na+]"]
["175730776","C1#SS[CH-][CH-]1.[Na+].[Na+]"]
["193862612","C.Cc1cc(CN)c(C)cc1CN"]
["51075678","S=[As]12S[As]3(=S)S[As](=S)(S1)S[As](=S)(S2)S3"]
["167103138","C1CNSCCOC1"]
["184954405","C/C(=N/O)C(C)(N)Cl"]
["79390821","[Na+].[O-][C+]1[N-][CH-][N+](Cl)=CN1Cl"]
["184399592","CC1CCC(=IC2CCC(C)C(C)(C)C2[C-]2C=CC3=C4C2=CCC2=C4C(=CC3)CC=C2)CC1"]
["174144752","COC1=CC2=C(C=CC1)CC(c1ccc(F)cc1N)CC2"]
["180706326","CCCC1=CC=C(C2=C(CN3CCN(C4(C)C=CC(C(=N)O)=CC4)CC3)CC(C)(C)CC2)CC1C"]
["100522257","CC1=CC[C@]23CC1C(C)(C)[C@@H]2CC[C@H]3C"]
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["42479271","CC1CCCC(N)(Cc2ccccn2)CC1"]
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["53191695","COC(=O)CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C"]
["177827330","C/C1=C\\CC2=CCC(C)C(C)(CC/C(C)=C/CC1)C2C"]
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["85800205","CC1CCC(N)(c2ccc(Cl)s2)CC1"]
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["161816618","c1n[si]2nc[si]1cn2"]
["180671032","C=[Si]1C=CN=C1"]
["161790485","c1npco1"]
["74734864","C1=S=NSC1=c1ccc(=C2C=S=NS2)cc1"]
["60740005","S[S]1C=CC=N1"]
["150061323","[NH2+]=C1C=CN=N1"]
["47973999","C[Si](C)(C)[Se][Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C"]
["12772985","Clc1cc2nsnc2cc1Cl"]
["175731450","C=C[si]1bnccc1"]
["97164674","C[Si](C)(C)[Ge]1([Si](C)(C)C)CC=CC1"]
["184417795","[NH2+]=C1N=CCCS1"]
["74834664","O=S=CC=S=O.c1ccccc1"]
["66807776","[3H][Si](O[Si](C[B])(CC)CC)(O[Si](C[B+])(CC)CC)O[Si-](=BC)(CC)CC"]
["172325752","CC[Si](CC)(CC)OC1CNC1"]
["164345049","CC[Si](CC)(CC)O[SiH](CC(C)(C)C)CC(C)(C)C"]
["175439049","CCCCCCCCC=C[SiH](CC)O[Si](CC)(CC)CC"]
["79212772","CC[Si](CC)(CBr)OC"]
["53570615","CC[Si](CC)(CC)OC(C)=CC(C)C"]
["182452785","CC=CC(C)O[Si](CC)(CC)CC"]
["171716094","CCOC(=O)/C=C(/C)C(=O)O[Si](CC)(CC)CC"]
["34388369","CC[Si](/C=C/CO[Si](CC)(CC)CC)(CC)CC"]
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["79443116","[CH2+]CCC#CCCC(C)CCCCCC[CH2-]"]
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["46316795","[O-]C(=C1C=C(Br)C(Br)=N1)C(Cl)(Cl)Cl"]
["198422951","[O-][NH2+]CC(O)c1ccccn1"]
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["182021886","N#Cc1ccc(COc2c(OCc3ccccc3Cl)c(F)c(OCc3cccc(Cl)c3)c(C(OCc3ccc(Cl)cc3)(ON=[N+]=[N-])OC(OCc3ccccc3C#N)(Oc3ccc(F)cc3)c3ccc(Oc4ccccc4F)c(Oc4cccc(F)c4)c3F)c2OCc2cccc(C#N)c2)cc1"]
["121386430","N#Cc1ccc(F)cc1CSc1nncn1-c1cccc(Cl)c1"]
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["MCULE-1433377928","COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2OC(C)C)cc1"]
["MCULE-2171780192","Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)C2c2ccc(OCc3ccccc3)cc2)c1"]
["103069258","CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C#N)c(I)c1"]
["19954015","NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1"]
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["MCULE-8410448600","COc1ccc(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)c(C)c1C"]
["183263027","Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CNC(O)CCO)cc2Cl)cccc1-c1cccc(OCCCNCCc2cccnc2)c1Cl"]
["MCULE-6081864584","COc1cccc(C2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1OCc1cccc(C)c1"]
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["7239790","CCOC(=O)c1c(-c2cccs2)csc1N=C(O)COC(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2"]
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["91190068","[B]1[Se]B=[Se]=B[Se]1"]
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["77865211","OC1=NC2CN(Cc3ccccc3)CC2O1"]
["CNP0527483.1","CCC/C=C/[C@@H]1OC(=O)c2c(O)ccc(O)c2[C@@H]1O"]
["190305281","COc1cc(C)cc2c1CC(O)C(c1cc(O)c(O)c(O)c1)O2"]
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["34270659","CC1=C(O)C(O)=NN(c2ccccc2)C1C"]
["147659065","O=c1ccn2c(n1)O[C@@H]1[C@H]2O[C@@](CO)(CF)[C@H]1O"]
["44540981","CC1C(=O)C2=C(OCOC2)C1O"]
["25909333","Cc1cccc2c1OC(C)C(C)C2O"]
["43540560","COC1Oc2c(C)cccc2C(O)C1OC"]
["65585896","O[C@@H]1C(c2ccccc2)=NO[C@H]1C1CC1"]
["174983960","[1H][NH+]=C=[B].[H-].[Na+]"]
["173333181","N#CNC(N)=C(C#N)C#N.[H-].[Na+]"]
["91114532","[B]=C=N"]
["173434307","N#C[N+](=O)[O-].[H-].[Na+]"]
["173111170","C#CC(=O)O.[H-].[Na+]"]
["176685272","[B]=C=[N-].[PH4+]"]
["79014854","CC#N.[H-].[Na+]"]
["173549287","[B]S.[H-].[Na+]"]
["174926586","[B]CC=O.[H-].[Na+]"]
["193446036","[B]=C=O.[Ni]"]
["174664076","C#COCl.[H-].[Na+]"]
["174991367","CON.[H-].[Na+]"]
["97246612","[Te]=C/C=C/[TeH]"]
["97283185","O=C/C=C/C=[Te]"]
["91288828","[Te]C=CC=[Te]"]
["170679661","[Se]=C/C=C\\[Te]"]
["97391415","O=C[CH+]C=[Te]"]
["168453329","[OH+]=C/C=C\\[Te]"]
["168506570","[Te]/C=C/C=[Te]"]
["176023568","O=C([O-])[CH+]C=CC=[Te].[Al].[H]"]
["161679377","[Ge-]=[O+]C=[Te]"]
["91224698","[S]C=CC=[Te]"]
["96624515","C=CC=[Te]"]
["91288823","SCCC=[Te]"]
["193471155","C[SiH](C)c1c([SiH](C)C)c([SiH](C)C)c([SiH](C)C)c([SiH](C)C)c1[SiH](C)C.C[SiH](C)c1cc([SiH](C)C)cc([SiH](C)C)c1"]
["26683453","CN(c1ccc(O)c(O)c1)S(=O)(=O)O"]
["79855181","C[SiH](C)C1=CC=[C-]C1.[Na+]"]
["162195838","COCC(N)c1ccc(N)cc1F"]
["103011352","Cc1[c]c(C)cc(C)c1.[I-].[Zn]"]
["94067702","Cc1nc(O)cc(Sc2ccc(N)cc2)n1"]
["188869280","Cc1cc(C(C)C)c(C(=O)C(C)C)cc1O"]
["78487956","Bc1c(OC)cc(COC)cc1OC"]
["79641219","C/[Si](=N\\[SiH](C)c1ccccc1)c1ccccc1"]
["3065167","Cc1ccc(N)c(Br)c1"]
["181394409","CC1=C(C)C([SiH](C)c2ccccc2)C(C)=C1C"]
["64314606","Cc1cc(O)oc1C"]
["79539026","CCN=[PH](N=[PH](N(C)C)N(C)C)N(C)C"]
["20414309","CCOC(=O)CN(C)CC(O)=NC1(C#[NH+])CCCC1"]
["117814139","CCOCCCCN=C(N(C)C)N(C)C"]
["78670600","CCN=C=NCCCC(CC)N(C)C.Cl"]
["94210739","CCCC(C)N=C(O)N(C)C"]
["83958008","CCN=[N+]([O-])OCCN(CC)CC"]
["94608850","CCCCN=C(NN)N1CCCC1CN(C)C"]
["47685148","CCC(C)CN(C)CC(O)=NCCN"]
["21558436","CCC[NH+]=C(O)CN(C)CC(=O)OCC"]
["99375987","CCC[Si]CC(N(C)C)N(C)C"]
["99226402","CCN(C)C(=[NH2+])N(C)C"]
["21885460","CCOC(=O)CN(C)CC(O)=N[C@@](C)(C#N)C(C)C"]
["24910557","[O-][SiH]([O-])CC[C+]1[CH+]CCCC1"]
["75902478","[O-]C1[CH+]CCCCCCCCCC1"]
["94688410","CN(C)C1(CNCc2csc([N+](=O)[O-])c2)CCC1"]
["150129456","CCC=C(C)[C+]1CCCC1"]
["44206746","N=C(N)[C+]1CCCCC1"]
["74842179","[O-]P[C+]1CCCCCCC1"]
["59791215","[CH2-]C[C+]1CCCC1"]
["180049305","C=CC1=CC=C(CSI)CC1"]
["168601245","O=C[C+]1CCCC[N-]C1=O"]
["91420526","CC(C)[C+]1CCCC1"]
["162142761","CN(C)C1N=C(O)c2c(ncn2C)N1"]
["91355127","CC[C+]1CCCCCCCCCCCCCCCC1"]
["52743896","C=[PH](C)[N-][PH](=C)C.[Rf].[Rf]"]
["26718002","[CH2]C(C)(F)F"]
["191058553","C[PH](C)=O.C[PH](C)=O.[Y]"]
["175920102","C=CC.FB(F)F.[Pd+2]"]
["66396892","[CH2]C(C)(C)C.[Hg+]"]
["25315413","[CH2]C(C)(Cl)C(C)C"]
["58589451","C=NCC(O)=NCC"]
["54459715","CC[N-]C.[Re].[Rf]"]
["79529362","CC.C[PH](=O)O.[Al]"]
["79159972","[CH2]C(C)(C)NC"]
["33529162","[C-]#CC([CH2])(C)C.[Li+]"]
["97447271","CC(C)(C)[O-].[CH2]C(C)(C)C.[In+]"]
["60898999","CC1COc2nonc2N=Nc2nonc2O1"]
["43742232","C[C@@H]1CN(c2ccc3c(c2)OCCNC3)C[C@H](C)O1.Cl.Cl"]
["160673410","CC1CN(C(=O)c2cn(C3CCOCC3)nn2)c2cccnc2O1"]
["136075451","Cc1noc2ncc(C(O)=NCCCCN3CC(C)OC(C)C3)cc12"]
["173049227","Cc1nc(=[N+]2CC(C)OC(C)C2)ss1"]
["182165739","CC1COP(=S)(N(SOC(=N)O)C(C)(C)C)O1"]
["22606547","C[C@@H]1CN(CCCl)C[C@H](C)O1"]
["59902203","CN(C)c1nc2n(c(=O)n1)C(CCl)CO2"]
["168281794","C/C(O)=C1/C(=O)OC(C)C1=O"]
["103388805","C[C@@H]1CN(c2ccc3nc(CC(=O)O)cn3c2)C[C@H](C)O1"]
["68257675","C[C@H]1CC(=O)C=C(Nc2nonc2N)C1"]
["93732131","Cc1nonc1CCC(O)C1CCCC1"]
["170517851","C[Si-](C)c1ccccc1[Si]1=[Si]=c2ccccc2=[Si-]1(C)C"]
["23671904","Cn1cc(I)c(=O)c2ccccc21"]
["32896678","C[Si]1CCc2ccccc21"]
["161815711","Cc1ccccc1C=[Te]"]
["146183506","Cl.O=C(C1CCN(c2ccccc2Br)C1=O)N1CCC2CCC(C1)N2"]
["96619232","C[Si](C)(C)C([Si](=O)c1ccccc1)([Si](C)(C)C)[Si](C)(C)C"]
["148011873","CN(C(=O)C1COc2ccccc2C1)C1CNC1.Cl"]
["96963217","[Li+].[Li+].c1ccc2c(c1)-c1ccccc1[Si]2=[Si]1c2ccccc2-c2ccccc21"]
["52720623","CN1N(C)P2(=Nc3ccccc3)N(C)N(C)P1(=Nc1ccccc1)N(C)N2C"]
["56761456","CC/C(=C1/N=C(OC)C(=O)O1)c1ccccc1"]
["175873589","c1ccc2c(c1)=[Si]=c1ncccc1=2"]
["80401171","Cc1cc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c(C)o1"]
["173700065","[B]C([B+])([B+])O/C(N)=C/C(=C\\N)N1[C-]=CC[N-]1"]
["29667432","CC(C)[C@@H](N=C(O)OC(C)(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)[C@@](C)(O)C1"]
["175608093","[B]C([B+])([B+])OCC(C)OSC1=[C-]CC(C)C=[C-]1"]
["195415177","C=C(/C=C/N)N1CCNCC1"]
["10992581","C[C@H](N=C(O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccs2)CC1"]
["148737907","CCC(=O)Oc1cccc(CC)c1COC1=C(Br)C=C(CC)C(F)C1"]
["176056727","C[C@H](N=C(O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]
["82475890","C=C(CCCC1CC=C(N)C=N1)OC=CN"]
["175902097","C/C(N)=C/C=N/C(=C/N)/C=C(\\N)OC1CCC1"]
["195752795","C=C(N)SC(C)C(C)N=C(O)OC(C)(C)C"]
["184491368","CC(C)(C)OC(O)=NC(c1ccc(Cl)cc1)C(N)c1ccc(Cl)cc1C=[NH2+]"]
["170991267","CC(C)(C)OC(=O)N=C(N)c1cc(C(=N)N=C(O)OC(C)(C)C)[nH]n1"]
["150110716","c1c[siH][siH]ooo1"]
["100265799","c1c[si]#[si]ooo1"]
["79112485","c1coooo1"]
["73823996","C1=CC2(C=NN1)NO2"]
["171562518","C1=NOC2(C1)COC2"]
["195297933","C[SH+]C1=c2ccccc2=C(C)C1"]
["158522647","c1c[pH]ooo1"]
["159713923","C=C.c1coo1"]
["98181916","c1cooo[siH]c1"]
["150129077","CC1(C)CCSN(CC2(C)C=COC=N2)C1"]
["175700682","C1=[SiH]O[As]=C1"]
["108943811","C1=CN2CCN[C@@H]2OC1"]
["147811855","C[Si](C)(C)C([Ge](Cl)=[Ge]([Ge](Cl)(Cl)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Ge](Cl)(Cl)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C"]
["170082048","C[N+]1=NC(C(C)(C)C)C(Cl)C1"]
["185674705","CC(C)(CCl)[Si](C)(C)C"]
["90996981","C[Si](C)(C)C([Te]Cl)([Si](C)(C)C)[Si](C)(C)C"]
["78326880","CC(C)(N=C(S)S)[Si](C)(C)C"]
["87234176","COc1c(Cl)nc[nH]c1=NCC(F)(F)F"]
["84114333","C[Si](C)(C)C(Br)([Si](C)(C)C)[Si](Cl)(c1ccccc1)c1ccccc1"]
["185449079","CC(Cl)(Cl)C(O)=NP(=O)(Cl)Cl"]
["78340266","CC(C)(C)/N=N/Cl"]
["96977540","C[Si](C)(C)N=S=N[Ge](C)(N=S=N[Si](C)(C)C)N=S=N[Si](C)(C)C"]
["102968543","C[Si](C)(C)[C]=C=CCl.[Cl-].[Zn]"]
["55281819","C[Si](C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)N=C=O"]
["96692223","[N-]CC[S+]=C1C=CC(C2=[S+]C(=[S+]CC[N-])C=C2)=[S+]1"]
["26092772","[O-]CCC1=C[CH+][C+](CC[O-])C=C1"]
["185872137","O=C([O-])CCC1=CNOC=C1"]
["97728658","[N-]=C1C=CC(=[N+]=[N+]=C2C=CC(=[N-])C=C2)C=C1"]
["182967883","CCCC(Oc1ccccc1)C(O)=NN=[N+]=[N-]"]
["78953614","CCC=C1C=CC(C)=C[C]1C"]
["185750787","CC(C)(C(=N)O)c1ccc([NH-])cc1"]
["175782420","C[GeH-](C)=C1[C-]=CC=C1C[Si](C)(C)C.[Li+].[Li+]"]
["59838888","O=S(=O)(O)c1ccc(P)c(S(=O)(=O)O)c1S(=O)(=O)O"]
["173246220","[NH-]C1C=CC2=C=NC=CC2=C1.[Np]"]
["25217955","CC[N+](CC)=C1C=CC=CC1=[N-]"]
["96994158","[N-]CC[S+]=[S+]CC[N-]C(=O)c1cc(C(=[OH+])[N-]CC[S+]=[S+]CC[N-])cc(C(O)=[NH+]CC[S+]=[S+]CC[N-])c1"]
["185911228","Clc1[nH]c2c(c1Cl)SSSSS2"]
["192668823","Nc1[nH]c(N=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c12.[Ni]"]
["33727121","c1ccc2c3c(sc2c1)SSSSS3"]
["174832872","CCN=c1[nH]c(=N)[nH]c(C(F)F)c1Cl"]
["198676129","C=C1CCc2c(ccc(C)c2Cl)N1"]
["12551313","O=C([O-])Cc1sc(Cl)c(Cl)c1Cl"]
["MCULE-3534350166","N=c1[nH]c2nc(CC(CN)C(F)(F)F)nc-2c(Cl)[nH]1"]
["112451602","CC(=NO)c1csc(Cl)c1"]
["185391122","Oc1n[nH]c(Cl)c1Cl"]
["124796713","CN(C)C(=O)CN(C)C(=O)c1cc(Cl)c(Cl)[nH]1"]
["195574027","Cc1ccc(=[NH2+])[nH]c1Cl"]
["113488918","CC1(CN=c2[nH]c(Cl)c(C#N)s2)CCCS1"]
["198095697","F[C-](N1CCCC1)[N+]1=ICCCC1"]
["79055550","COC(OC)([SiH2]C)N1CCCCC1"]
["70500353","COC1CN(C)CCC1N"]
["111898384","COC1CN([C@@H]2CCCC[C@H]2O)CC1OC"]
["68405926","Fc1ccc(C(=CN2CCCCC2)C=[N+]2CCCCC2)cc1"]
["160709387","COC1CCCCC1C(=O)N1CCS(=O)CC1"]
["160908323","COC1(C(C)NC(=O)c2cc3n(n2)CCCC3)CCC1"]
["85919715","COCC(NC1CCN2CCCCC12)C(C)C"]
["171959246","COC1CCCCN1C(=N)O"]
["162295957","COC1(C)CCN(CC(C)(C)O)CC1"]
["63047945","COPN1CCCC1"]
["187437765","CO[C@H]1CCN(C2CCN(C(C)=O)CC2)CC[C@@H]1CC(=O)N1CCCC1"]
["180929495","C=C1C(c2ccc(I)s2)=CC2=C1CC(C1=CCC(C)S1)S2"]
["74570143","C/C=C\\C1=CC(I)=CCC1/C=C/I"]
["7310170","C[C@@H]1Cc2cc(C(O)=NN=C(O)CC3CCCCC3)ccc2N1S(C)(=O)=O"]
["108583910","C[C@@H]1Cc2c(cccc2[C@H](C)N(C)O)S1"]
["90072476","CC1CN(C(=O)C(=O)O)c2c(cccc2C(C)C)S1"]
["30922057","CC1CC=C(c2cccc(F)c2C(=O)N(Cc2ccccc2)C2Cc3ccccc3C2)S1"]
["10013900","C[C@@H]1C[C@H]1C([O-])=NS(=O)(=O)c1ccc(Br)s1"]
["160585484","CC(O)=Nc1ncc(S(=O)(=O)N2CCCCC2c2cccc(C)c2C)s1"]
["187907001","C=CCCC1=C(CC)C2=CC[C@H](C)C=C2SC1=C"]
["174711112","CC1=CCN=C(O)C(c2cncs2)=C1"]
["27725235","CC1CCC(C(=O)N(c2cc(-c3ccc(O)cc3)sc2C(=O)O)C2CCC(O)CC2)CC1"]
["56464231","CC(C)(C)c1ccc(-c2ccc(Cl)s2)cn1"]
["172001443","O=S(F)C(F)(F)S(=O)([O-])(NC(F)(F)F)C(F)(F)C(O)(F)F"]
["190781303","O=C(CC(=O)C(F)(F)F)C(F)(F)F.[Pt+2]"]
["145248890","O=S(O)C(F)(F)C(F)(F)C(F)F"]
["158177996","CC1(C)CN(C(=O)[C@H]2CCCS2)CC[C@H]1C(F)(F)F"]
["78684613","O=S(O)C(CO)C(F)(F)F"]
["163659625","C=CC(F)(F)C(F)(F)C(F)(F)S(=O)O"]
["165265750","CN(C)N(C)C(=O)C(F)(F)F"]
["54192760","NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F"]
["54362811","O=S(CCO)C(F)F"]
["13085958","O=C([O-])CNc1cc([S@@](=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl"]
["24330498","O=C([O-])CC(C(=O)[O-])=C(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F"]
["173162523","CC.CN=CN/C(C)=C\\S(=O)[O-]"]
["50730150","[As-]=[As+]=[As][As]=[As][As]=[As+]=[As-]"]
["64139175","CCCC[As]=[As+]=[As-]"]
["91404174","O=[As](O)=[As+]=[As-]"]
["51927733","[As-]=[As+]=[As][As]=[As+]=[As-]"]
["161824135","C=[As+]=[As-]"]
["100194990","[O]S(=O)C(Cl)Cl"]
["91589425","O=[As](O)=[As][As]=[As+]=[As-]"]
["91563300","O[As]=[As+]=[As-]"]
["74435337","[CH2+]C1C=c2oc(=S)[nH]c2=C[CH-]1"]
["171983181","CN1C(=O)/C(=C/c2ccoc2)OC1=S"]
["178644323","[B]C1C=c2[nH]c(=N)oc2=CC1"]
["184040060","[N-]=[N+]=Nn1c(=O)oc2cccc(-c3cccc4oc(=O)[nH]c34)c21"]
["173797637","CC1C=c2[nH]c(O)c(C=C3C=NC=N3)c2=CC1"]
["180344357","CN=c1[nH]c2c(o1)=CC(CS)CC=2"]
["162968988","O=C(CBr)c1cccc2oc(=S)[nH]c12"]
["157945028","Brc1ccc(C[C@@H]2C=CCN2)o1"]
["175613522","S=c1ccc2c(o1)=CC1CC1C=2"]
["75750464","[CH2+]C1C=c2oc(=O)[nH]c2=C[CH-]1"]
["26736046","Cc1cc2n(c1C(=O)c1ccco1)CCC2C(=O)OC(C)C"]
["183330208","CC(OC(CC(OCc1coc2ccccc12)ON=[N+]=[N-])(OCCc1cc2ccccc2o1)c1cc2ccccc2o1)c1cc2ccccc2o1"]
["54612402","[NH3+]N1C=C2N(O)C=C[N+]2(O)C=C1[O-]"]
["75235882","COc1c(Cl)ccc2c1OCC1C=CN(N=C(C)O)C=C21"]
["172983987","CC(C)N1C=C(B(O)O)C=NC1=C=O"]
["MCULE-8026138854","COC(=O)c1ccncc1N=C(O)C1CCCCC1"]
["86194329","C=C(Cl)CNCCc1ncn(C)n1"]
["179163104","C=[I+]1=C(C(C)=O)C=CN(O)C=1C(C)(C)C"]
["177144755","O=C([O-])N1C=CCC1.[K+]"]
["34646962","O=C1C(O)OC=CN1C1CCCCC1"]
["75310533","C=C1C=Nc2[nH]ccc2N1/C(=N\\N)C1CCCC1"]
["180832271","Cn1cc(B([O-])O)cn1"]
["178684335","[NH3+]c1ccc(I)cc1F"]
["194540468","COc1cc(C(=O)N2C=CCC2)cc(OC)c1OC"]
["97297713","C[Si]1(C)[Se][Ge](C)(C)[Se][Si]12[Se][Ge](C)(C)[Se][Si]2(C)C"]
["68347870","CC(=O)O[Si]1(OC(C)=O)C[Si](C)(C)O[Si](C)(C)C1"]
["97380235","C[Si]12S[Ge](C)(C)S[Si]1(C)S[Ge](C)(C)S2"]
["65920930","C[Si]12C[Ge](C)(C)C[Si](C)(C[Ge](C)(C)C1)O2"]
["79826701","C[Ge]1(C)C[Si](Cl)(Cl)C1"]
["97635695","C[Si]1(C2CC2)O[Si]2(C3CC3)O[Si](C)(C3CC3)O[Si]3(C4CC4)O[Si](C)(C4CC4)O[Si](C4CC4)(O1)O[Si](C1CC1)(O2)O3"]
["52597802","CCC[Si]1(C)[Si](C)(CCC)[Si](C)(CCC)[Si](C)(CCC)[Si]1(C)CCC"]
["97905005","C[Si]1(C)[Se][Si](C)(C)[Si]2(C)[Se][Si]1(C)[Si](C)(C)[Se][Si]2(C)C"]
["114480841","CC(C)C(Nc1cncnc1)c1ccccc1"]
["171506942","CN[Si](NC)(NC)OC(C)C"]
["56439044","C[Si]1(C)[Si]#[Si][Si]#[Si][Si]#[Si]1"]
["65347115","C[Si]1(C)C[Se]C[Se]C1"]
["196459964","NC12C=CC3SC3C1(N)S2"]
["174912149","N#CC1C=CC1(CF)CF"]
["170671409","[18OH]C12C=CC3C=CC(C=C1)C32"]
["178212931","[B]C1C=CSC1"]
["175159377","CSC12C=CC3SC3C1S2"]
["176131753","NC1C=CC=CC1(N)OC1(N)C=CC=CC1N"]
["184377137","CC1C2C=CC2SC1(C)C"]
["171454148","NC1C=CC=CC1(S)Br"]
["161754845","CC(C)(C)C1=CC=CC(C(C)(C)C)C1(N)O"]
["183948811","N#[N+]N([S-])C1C(Cl)=CC=CC1(N)Cl"]
["79148982","CC1C=CC2=C(C1)C(CN)C(=O)B2"]
["145365431","NC1(N)S[C@@H]1c1cn[nH]c1"]
["79088676","[O-][Cl+2]([O-])O[Br+2]([O-])[O-]"]
["79335004","[O-][Cl+2]([O-])OCCO[Cl+2]([O-])[O-]"]
["55985691","C=CO[Cl+2]([O-])[O-]"]
["171451895","NNC1=NCCN1O[Br+2]([O-])[O-]"]
["173077417","[Ag].[O-][Cl+2]([O-])OOOOO"]
["172285756","CS(=O)(=O)O[Cl+2]([O-])[O-]"]
["79639712","[Na+].[O-][Cl+]O[Cl+2]([O-])[O-]"]
["174999930","O=P(=O)OP(=O)([O-])[O-].[Na+].[Na+]"]
["173340914","O=P(O)(O)O[Cl+2]([O-])[O-].[H-].[Na+]"]
["185858317","[O-][Br+2]([O-])O[Br+2]([O-])[O-]"]
["161718158","Cn1ccnc1O[Cl+2]([O-])[O-]"]
["183534682","CCCC(Cl)O[Cl+2]([O-])[O-]"]
["67863124","C=C1NC(=C)C(=C(C)/C(C)=C(\\C)C2=C(C)NC(=C)NC2=C)C(=C)N1"]
["150900286","CC1=CCC[C@H](O)C(C)(C)[C@H]1O"]
["178671058","C=C1NC(=C)/C(=C/c2ccc(OC)c(OC)c2)N1"]
["154672857","C=C1NC=CC=C1C(=O)N=C(C)[N+](=O)[O-]"]
["184179842","C=C1C(=N/C(C)=C\\C)CCC(=O)[N+]1=C"]
["100253925","C=C(C)C(=C)[B]c1cccc(C)c1C"]
["101241180","C=C1C=C(CCc2ccccc2)OC1(C(C)=O)C(=O)OCC"]
["181307017","C=C1N=C(O)Nc2cccc(C)c21"]
["166593732","C=C1C=C(C)NC(/C(=C\\N)C(O)=Nc2ccc(C)cn2)=N1"]
["99730301","CC1=C(C)C(=O)/C(=C2\\N=C(c3cnn(C)c3)N/C(=C3/C=CC(=O)C(C)=C3O)N2)C=C1"]
["170069160","C=C1NC(C)=C(C)C2C(C)C12"]
["173213260","C=C1NC/C(=C/C)C(=C)N1"]
["42262911","[NH-]S1(=O)=NS(=O)(F)=NS(=O)(F)=N1"]
["175013688","O=S1(=O)N=NS1(=O)=O"]
["158899333","O=C(Cc1c(F)cccc1F)N1CCCS(=O)(=O)CC1"]
["62629668","C[N-]S1(=O)=NS(=O)(N(C)C)=NS(=O)(F)=N1"]
["56453235","C=S1(=O)N=S(=C)(O)C(F)(F)C(N)C1(F)F"]
["62451705","FC(F)(F)C(C(F)(F)F)S(F)(F)(F)(F)F"]
["91408411","O=S1(=O)C=NN=C1"]
["161789661","O=PCC[Si](F)(F)F"]
["103982852","O=S1(=O)C[C@@H]2Sc3nncn3[C@@H]2[C@@H]1Br"]
["83983982","O=S1(=O)C(F)(F)SC1(F)F"]
["159098108","O=S1(=O)CCCN1CCI"]
["53762854","O=S1(=O)C=NCC1"]
["172140566","CCC[Si](=[O+][Si-](CCC)C1C=CC=C1)C1C=CC=C1"]
["181814420","CCCCCCCCCC(C(C)C)C1C=CC=C1"]
["161679739","COCC(OC)C1C=CC=C1"]
["148160484","CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1"]
["171495557","CCCC(F)(F)C1C=CC=C1"]
["99459098","CCC[Si](CCC)CCC.CCC[Si](CCC)CCC.O=P(=O)[OH2+]"]
["91159087","CC(=O)O.CCCCC1OCCC1O"]
["172405806","CCS(=O)(=O)CO[Si](OC)OC"]
["170732551","CCCC(=O)C1=CC=CC(C(C)OC)N1"]
["172639602","COC[C@@H]1C=CC=CN1N"]
["175886846","CCCCCCCCCCCCC1C=CC=C[N+]1=O"]
["150224051","CCCCCC1=CC=CC1C"]
["179577872","C[C-](N)CC[I+]CCC[I+]CC[C-]([O-])CCCCC[NH-]"]
["183314629","CCCCCCCC[NH-].[Li+]"]
["190201624","CCCC[NH-].[Cl-].[Cl-]"]
["178468489","CCC1(CC)CCN([C-]([O-])CCCCCN[I+]C)C[C@@H]1C"]
["179624329","[NH-]CCCCCCCCN"]
["178355598","CCC[C@@H](C)[C@H](C)CCCCCCC[I+]CCCCC([O-])O[CH-]c1ccccc1"]
["199321737","[NH-]CCCCCCN.[W]"]
["185534451","CCCC[NH-].[CH3-].[Mg+2]"]
["112692826","CC1(NCCCCCN)CCCOC1"]
["178183648","CO[C-]([O-])C(F)(F)CCC[I+]CSC(F)(F)F"]
["178734460","CCOc1cccc(OCCCCC[NH-])c1"]
["174664821","CCCCCC[NH-].C[CH-]CC[C-]=O.[K+]"]
["98646351","C1CCC(N=C(N(C2CCCC2)C2CCCC2)[N+](C2CCCC2)(C2CCCC2)C2CCCC2)C1"]
["164766035","COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)C(C)C(O)=NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1"]
["86596188","CCN(C(O)=NC(CCCOC)C(=O)O)C1CCCC1"]
["140214477","CC(=O)N1CCC(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)CC1"]
["121939654","CN(C)C1CCCC(N=C(O)CCNc2ccccc2[N+](=O)[O-])C1"]
["105739202","OCCN(C[C@H]1CCCC[C@@H]1O)C1CCCC1"]
["138996227","CC(C(O)=NC1CCCC1)S(=O)(=O)c1nnc(-c2ccc(Cl)cc2)n1C"]
["139525864","CCC(c1ccccc1)c1nnc(SCC(=O)N(C2CCCC2)C2CC2)o1"]
["190749556","C.CC(C)(C)N=C(O)c1cc(C(O)=NC(C)(C)C)cc(C(O)=NC(C)(C)C)c1.OC(=NC1CCCCC1)c1cc(C(O)=NC2CCCCC2)cc(C(O)=NC2CCCCC2)c1"]
["59953652","CCN(C(O)=NC1CCC(C(=O)O)C1)C1CCCC1"]
["128911055","O=S(=O)(CC(O)=NC1CC1)C1CCCCC1"]
["133401773","CCN(CC(O)=NC1CCCC1)C(C)Cc1ccsc1"]
["172189632","CC(C)N=C(NC(NC(C)C)=[NH+]C(C)C)NC(C)C"]
["21549740","CC[C@@H](C)N=C(O)[C@H](C)NC(O)=[NH+]C[C@@H]1CN(CC(C)C)CCO1"]
["129568076","CCC(Cc1ccccc1)NC(O)=NCC(O)=NC(C)C"]
["64282477","CCc1ccc(NC(O)=NC(C)C)cc1N"]
["6064866","Cc1onc(-c2ccc(F)cc2)c1C(O)=NC(C)C"]
["3679835","CC(C)N=C(O)[C@H](C)N=C(O)OC(C)(C)C"]
["146876506","CC(C)NC(=NCC1CCS(=O)(=O)C1)NC1C2CCOC2C12CCC2.I"]
["156317182","CC(C)N=C(O)C(F)=C1CCCC1"]
["92210970","CCOC1CCN(C(S)=NC(C)C)CC1"]
["68400398","CCCNc1ncccc1C(O)=NC(C)C"]
["81063061","CC(C)N=C(O)NC1CCC(CCN=C(O)C2CCC2)OC1CO"]
["4145775","COCCCN(C)[C@H](C)C(O)=NC(O)=[NH+]C(C)C"]
["173731207","[B+]=S12([O-])SC1S2"]
["184956923","CS[N+](SC1CSC1)(SC1CSC1)SC1CSC1"]
["172717823","[Na+].[O-]C1OSO1"]
["79105844","[O]C1CSC1"]
["172382775","[B+]C([B+])([O-])C1[N-]SC=C1C"]
["195365698","C[N+](C)([O-])C1CCSC1=O"]
["99142469","CC1SSSS1"]
["75730455","O=[N+]([O-])C1N[CH]CS1"]
["162329382","O=C(O)C12CCCC3(CCCC31)CC2"]
["99804241","[B+]=S12([O-])SC1(C)S2"]
["172780714","SC1CC[S+](S)SC1"]
["179363846","[B+]C(=[B+])C1[C-]=C(N)S[N-]1"]
["90939807","N1=N[Si]2(N=N1)N=NN=N2"]
["195501208","C[N-]n1cc[nH]1"]
["161674769","C[Si](C)(C)S#[Si]O"]
["90935734","C[Si]1(C)N=N1"]
["90935740","C[Si]1(C)N=N[Si](C)(C)N=N1"]
["74667236","NS(=O)(=O)[C]1C=NN=N1"]
["161923817","N1=[Si]=N[Si]12N=[Si]=N2"]
["195112100","N1=N[N-][N-]N=N1.[K+].[K+]"]
["90935738","Cl[Si]1(Cl)N=N[Si](Cl)(Cl)N=N1"]
["68127731","b1ncc[nH]1"]
["24914959","[C]1=NN=NSS1"]
["99698787","CN1N=N[S+](C)N1C"]
["52818813","CN1P2(F)(F)N(C)[P-]3(F)(F)(F)N(C)P1(F)(F)[N+]23C"]
["91256472","CN1P(C)N(C)P(C)N(C)P1C"]
["48749739","CN1P(F)(F)(c2c(F)c(F)c(F)c(F)c2F)N(C)P1(F)(F)c1c(F)c(F)c(F)c(F)c1F"]
["92886162","Cn1c(=NCC(F)(F)CN)[nH]c2ccccc21"]
["169795450","CON1CCCN(C(C)(C)C)CC1"]
["13019659","CCCn1c(C)nnc1SCC(O)=NC(C)C"]
["MCULE-9838831479","CC(C)c1ccc(-c2c(C(F)F)nn(C)c2Br)cc1"]
["63271169","CC(C)(C)N1[P+](F)(C(C)(C)C)N(C(C)(C)C)[P-]1(F)(F)(F)F"]
["57585926","CCP1(F)(F)N(C)C(=O)N1C"]
["34308346","CN1P(Cl)(Cl)(Cl)N(C)P1(Cl)(Cl)Cl"]
["178825864","C[N+]1(C)S[N+](S)(S)S1"]
["96984461","CN1P(F)(F)(C(C)(C)C)N(C)P1(F)(F)C(C)(C)C"]
["62895180","[B+][SH]([PH-])[P-]F"]
["173020907","[B+]=S([PH-])[P]F"]
["172888641","[2H][P-]P([2H])(=[B+])F"]
["184890449","[B+]=C1[CH-][C-]2OB(C)OC2=C(F)C1=[B+]"]
["184646898","F[P-]PI"]
["164510150","FC(F)(F)C(F)(F)[GeH2]C(F)(F)C(F)(F)F"]
["66430791","F[P-]P"]
["180877073","[B+]=[N+]1[CH-]CCC1"]
["175915368","CS(=O)(=O)[P-]F"]
["175713210","F[P-]SI.[Li+]"]
["45059180","C[P-]F"]
["51719984","[B+]=N[P-]F"]
["177708156","Nc1ccc2c(c1)=CC1CCC3(CCc4cc5cc(N)ccc5cc4OC1C=2)c1cc2cc(N)ccc2cc1Oc1cc2ccc(N)cc2cc13"]
["155635053","COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]ccc41)[C@@H](C2)C3=O"]
["CSSS05865048511","Nc1ccc(C2(c3nc(Cc4ccc(Cl)cc4)no3)CC2)cc1"]
["149964467","N=C1C=CC2Oc3ccc(N)cc3CC2C1"]
["2986394","N#CC1=C(N)Oc2cc(N)ccc2[C@@]12C(O)=Nc1ccccc12"]
["152999907","CSc1nn2cc(C3Nc4ccc(N)cc4O3)nc2s1"]
["86075290","Nc1ccc2c(c1)CCC2(O)c1cc(F)cc(F)c1"]
["32082197","COc1ccc2c(c1)OC(CNCCCOc1cccc(N)c1)CC2.Cl.Cl"]
["58263435","CN1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(N)cc13"]
["29269112","COc1ccc(-n2ncc3cc4c(cc32)CCCC42OCCO2)cc1"]
["45152840","CN(C)C1Cc2ccc(N)cc2N=C1O"]
["173217323","CC1=CCCC=C1C1(O)c2ccc(C)cc2Oc2cc(N)ccc21"]
["33753132","CN(C)C1=C(N(C)C)c2nc1nc1nc([n-]c3nc(nc4[n-]c(n2)c(N(C)C)c4N(C)C)C(N(C)C)=C3N(C)C)C(N(C)C)=C1N(C)C.[Zn+2]"]
["186910305","Cc1cncc(N2CCN(c3nccc(N(C)C)n3)CC2)n1"]
["34614281","CC(C)(C)c1ccc2c(c1)-c1nc-2nc2nc([n-]c3nc(nc4[n-]c(n1)c1cc(C(C)(C)C)ccc41)-c1ccc(C(C)(C)C)cc1-3)-c1cc(C#C/C(CO[Si](C)(C)C(C)(C)C)=C(/C#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C)ccc1-2.[Co+2]"]
["197405030","Cc1nc(N(C)C)sc1C(C)(N)C(F)F"]
["95823826","CN(C)c1noc(CC(O)C(C)(C)C)n1"]
["60810595","O=C(O)c1c(C(=O)O)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.[Hf].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc([n-]c4nc(n1)-c1ccccc1-4)-c1ccccc1-3)c1ccccc21"]
["184989181","CN(C)c1c(O)nc2ccccc2c1O"]
["60734968","O=C([O-])c1cccnc1.[Ga+3].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc([n-]c4nc(n1)-c1ccccc1-4)-c1ccccc1-3)c1ccccc21"]
["183125890","CN(C)c1ccnc(N=[N+]=[N-])c1N(C)C"]
["176571688","CCCCc1ccc2c3[n-]c4nc(nc5nc(nc6nc(nc([n-]3)c2c1)-c1ccccc1-6)-c1ccccc1-5)-c1ccccc1-4.[Cu+2]"]
["154787366","CN(C)c1ccnc(N2CC3SCC(O)C3C2)n1"]
["47764472","Fc1cc2c(cc1F)-c1nc-2cc2[n-]c([n-]c3nc(nc4nc(n1)-c1c(F)ccc(F)c1-4)-c1cc(F)c(F)cc1-3)c1c(F)ccc(F)c21.[Zn+2]"]
["63125538","FCOC[N-]F.[Rf]"]
["145418922","FCOc1c(F)c(F)c(Cl)c(Cl)c1F"]
["98824114","CC(C)OF.COCF"]
["185368446","FCOC(F)(F)C(F)(F)Br"]
["164250777","FCOCCCOP1(F)=C[PH](c2ccccc2)=C[PH](F)=C1"]
["173538140","CC(F)COCF"]
["145196669","F[P+]#CI"]
["149827881","FCOCc1ccccn1"]
["171210362","N[C@H](CCF)C(F)(F)C(F)(F)C(F)(F)F"]
["197302657","[C-]#[N+]Cc1cc(F)c(C)cc1OC"]
["59442919","N=C(NN)SCCOCC(F)(F)F"]
["91563343","FCOc1cccc(F)c1"]
["167308457","Brc1c2cc[cH-]cc-2c2ccc3c(c12)[C@@H]([C@@H]1c2ccccc2-c2ccc4c(c21)C(=[Br+])c1ccccc1-4)c1ccccc1-3"]
["170295802","CC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3sc4ccccc4c23)cc1"]
["197273010","CC[C@H](CC(O)=NCc1nc(C(=O)O)cs1)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["85742076","Cc1cscc1CNC1c2ccccc2-c2ccccc21"]
["62452278","O=C1OC(Nc2nonc2-c2ccccc2)c2ccccc21"]
["197251729","COC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=NCc1ncc(C(=O)O)s1"]
["MCULE-3998284763","CSCC[C@@H](C(O)=N[C@@H]1CON=C1O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["80028883","COc1ccc2c(c1)C(COC(O)=NC(CC(C)C)C(=O)O)c1ccccc1-2"]
["197259983","CCC(C)CC(N=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=NC(CCOC)C(=O)O"]
["MCULE-1679607955","O=C(OCC1c2ccccc2-c2ccccc21)N1CC2CS(=O)(=O)CC(CS)(C1)C2(F)F"]
["197508083","O=C(O)C1CN(C(=O)C(N=C(O)OCC2c3ccccc3-c3ccccc32)C(F)(F)F)CCS1"]
["138799800","COCc1ccccc1CNC1c2ccccc2-c2ccccc21"]
["79957802","Cl/N=N/N(Cl)P1(Cl)(Cl)P(Cl)P1Cl"]
["161886498","ClC1(Cl)P(Cl)(Cl)(Cl)C(Cl)(Cl)P1(Cl)(Cl)Cl"]
["161777388","POc1ccc(OCl)c(Cl)c1Cl"]
["183305467","[N-]=[N+]=NN(Cl)Cl"]
["26688979","N=C(O)NN(Cl)C(O)=NCl"]
["26691049","O=NN(Cl)C(O)=NCl"]
["185337232","N=NNN(Cl)Cl"]
["183518350","CON=NN(N)Cl"]
["45363626","CCCN1P(Cl)N=PNP1(Cl)(Cl)Cl"]
["175896043","ClC(Cl)(Cl)N=NN(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"]
["185362248","ClN=NN(Cl)Cl"]
["74284822","ClP1OC=C=CO1"]
["180521392","COCCNCOC/C1=C/N(CC2=NI=NC(OC)C2C)/C=C/C=C\\N(C)C1"]
["84795210","COCCNCC(O)=Nc1ccc(F)c(C(=O)O)c1"]
["43461969","COCCNCc1cn(Cc2cnoc2)c2ccccc12"]
["88656843","COCCNCC(C)(Cc1c(C)cc(C)cc1C)C1CC1"]
["157689901","COCCN1C(=O)C[C@@H](CNc2nccc(C)n2)[C@@H]1c1cnn(C)c1C"]
["MCULE-3692349719","COCC1CCN(C(=O)c2cccc(-c3cccnc3F)c2F)CC1"]
["84906651","COCCNCc1sc(N2CCC(C)C2)nc1C(C)C"]
["175544334","COCCNCc1cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc2c(F)c1F"]
["49529686","COc1cccc(CNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1OC"]
["MCULE-6774053356","CCc1nccn1CCC(=O)N(C)CC1CCN(C(=O)c2ccc(COC)cc2)CC1"]
["115121729","COCCNCc1cccnc1N1CCS(=O)(=O)CC1"]
["56225992","COCCNCC1CCCN1c1ncccc1F"]
["26051419","[C]1=C(c2nnon2)OON1"]
["169158801","N=c1[nH]nc(-c2nnn(-c3nonc3N)c2CN2CCCC2)o1"]
["84611307","CCNC(c1ccn(Cc2nonc2C)c1)C(C)C"]
["185167672","O=Cc1nnon1"]
["200607944","c1cncc(-c2noc(-c3nnon3)n2)c1"]
["171552118","C=Nc1nn[nH]c1N=C"]
["65321440","c1cc2cc(-c3nnon3)ccc2[nH]1"]
["75643121","CNCc1cc(C#N)no1"]
["162663710","O=S1(=O)CC(N=c2[nH]nc(CCl)o2)C1"]
["75398532","[c]1n[nH]cc1-c1ncccn1"]
["194826137","Cc1cc2nnonc-2c1"]
["179406240","INc1conn1"]
["57963564","[O+]#[Si][Si]([O-])=[Si]"]
["55423841","O=[Si]([O-])F.[Li+].[Mg+2]"]
["79441307","O=C(O)O.O=[Si]([O-])[O-].[Ca+2]"]
["99825173","[CH2-]CC[Si](N)=[Si].[Li+]"]
["59315507","O=[Si]([O-])[O-].[Al+3].[Sr+2]"]
["51257908","C[Si](C)=[Si]([O-])[Si](=O)[Si](=O)[SiH](C)[Si](=O)[Si](=O)[Si]#[O+]"]
["79736803","C[NH3+].C[NH3+].O=[Si]([O-])[O-]"]
["32932548","O=[Si]([O-])[O-].[Ba+2]"]
["65915797","O=[Si]([O-])F.O=[Si]([O-])F.[Zr+2]"]
["61653336","O=[Si]([O-])[O-].[Al+3].[Mg+2]"]
["54912986","C[N+](C)(C)C.C[N+](C)(C)C.O=[Si]([O-])[O-]"]
["79603088","O.O=[Si]([O-])[O-].[Zn+2]"]
["57137296","COC1=CC2=CN3C(=CC2=CC1OC)C=c1cc(OC)c(OC)cc1=C3C"]
["108902023","CCNCCc1c(C)n(C)c2cc(OC)c(OC)cc12"]
["67884892","COc1ccc(CC(=O)Cc2ccncc2Cl)cc1OC"]
["23414643","COc1cc2c(cc1OC)CN(CN1C(=O)C3CC=CCC3C1=O)CC2"]
["73624137","COc1ccc(C(C)C(=O)N(O)Cc2ccccc2)cc1OC"]
["MCULE-4792031361","CCc1cc(C(F)F)n(Cc2cc(C)c(OC)cc2C)n1"]
["123668194","CCN(CC(O)=NC(C)Cc1ccc(OC)c(OC)c1)C1CC1"]
["MCULE-4974436682","COc1ccc(N=C(O)c2ccc(-c3cn(C)nc3C(F)(F)F)cc2OC)cc1OC"]
["92862479","COc1cnccc1C(N)c1cc(F)ccc1Cl"]
["139835402","COc1ccc(C(=O)N2CCN(Cc3nc(C4CC4)n[nH]3)CC2)cc1OC"]
["45438423","COc1ccc(CCN2C(=O)C3=C(C(=C4C=C(C)C=C(C)C4=O)NN3)C2c2cccc(O)c2)cc1OC"]
["22728872","CCOc1ccc(C2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2cccnc2)cc1"]
["178447353","[NH-]C1[I+]CC(c2c[nH]c3c2=CCCC=3)=C1C1=CN2CCC=C3C=CC=C1[C-]32"]
["150130318","CC1COCCN1c1n[nH]c2c1=CC=CCCC=2"]
["174638455","CC1=C2[C-]3C(=CC1)C=CC=C3C(C)=C(C)N(C)C2C.[Sr+2]"]
["172868177","CN1CCC(n2cnc(=C3C=CC(F)=CC3)c2=C2CC=Nc3[nH]ccc32)CC1"]
["177257321","C1=c2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2=CCC1"]
["75397108","COC1=CCCC=C1c1c[nH]c2c1CC(C1=CC=CC(C(=N)N3CCOCC3)C1)C=N2"]
["SN0322385","C1=CC2=CC[NH+]3Cc4cc5c(cc4C(=C1)[C-]23)OC[O+]5"]
["184437211","CC(NC1=NC=NC([NH3+])C1C([NH-])Cl)C1C=C2C=CC=C(CC3C[I+]3)[C-]2C(=O)N1C1CC1"]
["81576336","CCCN1CCC2C(C1)C1=CC=CC3=CCCN2[C-]31.FC1=[C-]C=C=CC1.[Y]"]
["175722058","CC.CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3c2=CCCC=3)CC1"]
["81689107","CC1=CC=CC2=C3N=NC(=O)C3=CNC12"]
["192516792","CC1=[C-]C=C=CC1.CCCN1CC[C@H]2[C@@H](C1)C1=CC=CC3=CCCN2[C-]31.[Y]"]
["195571752","CC=IC[NH+]=CC1CC1NCC"]
["46386367","CCNC1CC(Oc2cc(Cl)cc(Cl)c2)C1(C)C"]
["45251915","CCNC1CCC(C(C)C)CC1CN1CC(C)SC(C)C1"]
["99537187","CCCCCCCC/C=C/CCCCCCCCCCCCOP1(=O)OC2CC[N+](C)(C)C(C2)O1"]
["54738894","CCNC1CCCN(Cc2ccc(OC)cc2)C1=O"]
["157855415","CCN[C@H]1CCN(OC)[C@H](C)C1"]
["58117178","CCCC1CCN(C(=O)C2COCC2NCC)CC1"]
["174066852","CCN[C@H]1C=C(C)/C(=C/C(C)CC)C1"]
["57827241","CCNC1CCCC1CN1CCCC1C(C)C"]
["55267286","CCC1(C)C(Cl)CC1Oc1ccc(C(C)(C)C)cc1"]
["105286435","CCN[C@@H]1CCOC[C@@H]1n1cncn1"]
["60627866","CCCCCCC(C)OC1CC(C(C)C)CCC1NCC"]
["189221193","BC1C(B)(B)C(B)(B)C(B)(B)C1(B)B"]
["165250891","BC1CC(B)(B)N(C(C)(C)C)C1B"]
["186289327","B[C@@H]1O[C@@]2([C@H](C)C(C)C)[C@H](C)[C@@H]1O[C@@H]2C"]
["161541925","BC1C(B)(B)C(B)(B)C(F)(F)C(B)(B)C1(B)B"]
["165251374","BC1N(C(C)(C)C)CC(B)(B)C1(B)B"]
["189031926","BC1(B)C(C(=C)OS(=O)(=O)C(F)(F)F)C(B)(B)C(B)(B)C1(B)B"]
["162311253","O1C23O[P+]1(O2)O3"]
["187320969","BC1(C)CCC2C(C)=C(C)SC21"]
["150553299","BC1(I)CCC(C)CC1"]
["190267802","C1C23CC12C3.N#CC12CC(C1)C2"]
["79735649","BC12CC3CC(CC(C3)C1)C2"]
["164049403","BC1C(C)(C)CCCC1(C)C"]
["180776540","C#CCN=P([NH3+])(N=P(N=[P+](NC#C)NCC#C)(NCC#C)NCC#C)NCC#C"]
["187400078","C#CCNP(=S)(Cl)Cl"]
["84785328","C#CCNCCNC(C)(C)C"]
["53229393","C#CCNCCN1CC2CCC1C2"]
["62568983","C#CCNCc1ccc(CNCC#C)cc1"]
["86021757","C#CCNc1nnccc1C#N"]
["183607804","C#CCN=c1nc(C)[nH][nH]1"]
["88735790","C#CCNC(C#N)c1ccc(Cl)c(Br)c1"]
["78501653","C#CCOS(=O)(=O)C(OC)=[P+](C)[O-]"]
["157872477","C#CCNC(=O)c1ncn(C)n1"]
["58410358","C#CCNC(C#N)c1ccc(C)c(C)c1"]
["67318271","C#CCNC(=O)c1ccc(O)nn1"]
["171797188","[C-]#[N+]C([N+]#[C-])=C1C2CC([N+](=O)[O-])CCC2C2C1CC([N+](=O)[O-])CC2[N+](=O)[O-]"]
["166186415","O=C(C1NNC2CCC([N+](=O)[O-])CC21)N1CCCC(C(O)=Nc2ccccc2)C1"]
["98984889","CC(=O)C#CC[C@@H](C)OC(=O)/C=C/C1=CCCC([N+](=O)[O-])C1.CC(C)(C)C(=O)Cl.O=C(O)/C=C/C1=CCCC([N+](=O)[O-])C1"]
["57217776","O=C(c1ccccc1)N1CC([N+](=O)[O-])C2CN(C1)CN2C(=O)c1ccccc1"]
["185499784","[C-]#[N+]c1cccc(N(C(=O)[O-])C2CCCCC2)c1"]
["31197979","CC1(C)COC(C)(CCC2=C3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC2=O)OC1"]
["156748693","Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C)C[C@H](C)C1"]
["179604606","O=C(CC1CC(Cl)CCC1[N+](=O)[O-])c1ccccc1"]
["106290226","O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1)[C@H]1CN2CCC1CC2"]
["174230493","O=C(O)N1C=C[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])C1"]
["182951239","[N-]=[N+]=NCCC1CCCCC1[N+](=O)[O-]"]
["195770679","CCC1CC([N+](=O)[O-])C2C1CC1OC12"]
["174046283","C=C[B+]/C=C/B=C[O-]"]
["174566608","C=C/C(=C\\C=C/C)B([O-])O.CC.[W]"]
["78957574","C=C[CH][O-].[CH2][CH2-].[Mg+2]"]
["163605809","C=CCOC(=O)Cl.c1ccncc1"]
["175071665","C=CN=C[O-].[Ce]"]
["96731036","C=C[Se](C)=O"]
["25676789","C=C[C](Cl)Cl"]
["78337834","C=CC(O)P(C(O)C=C)C(O)C=C"]
["97559099","C=CCCC(C)(C)[O-]"]
["174819386","C=CC(=[OH+])Cl"]
["174428837","C=CCOC(=O)Cl.C=CCOC(=O)Cl"]
["66197907","C=CCl.[Al+3]"]
["165154820","PBPPI"]
["78352857","[CH]PI"]
["177585102","CCCBPI"]
["66436456","FPI"]
["63770003","CCPI"]
["148692698","Br[SiH2]I"]
["45760137","IPSI"]
["173055007","OPI.[Cu]"]
["91710558","PBPP"]
["177096613","[2H]PPI"]
["174300401","C1CCC1.PBr"]
["69529248","O[CH-]PI"]
["149904553","C=[N+]1COCC[S-]1[O-]"]
["178306529","C=C1[NH2+]CCCO1"]
["101691006","C=C(CN1CCOCC1)C(=O)[O-].[K+]"]
["42999102","C1CCOC1.C1COC1"]
["178364980","CC(C)=[N+]1CCCCOC1"]
["185957133","[Br-].[CH2]CC1CCOCC1.[Mg+]"]
["162419826","O=S(=O)([O-])C1(O)COCCOC1.[Na+]"]
["185109439","[O-]OC1=[O+]CCOC1"]
["174795404","C=C/C(Cl)=C(C(\\Cl)=C/C)/c1cc(F)cc2c1OCCO2"]
["55578421","Cl.[NH3+]NC1CCOCC1"]
["79344150","[CH2]C1(F)COC1"]
["74538906","[c]1[nH]nc2c1COCC2"]
["145704244","BrC/C1=C/C2=C\\Cc3cc4c(Br)cc3Cc3cc(c(Br)cc3C2)OCOc2ccc3c(c2)Cc2cc(ccc2CC=C(/C=C\\COCO1)C3)OCO4"]
["94143237","CSCC(C)N(C)C(CN)c1cc(Br)c2c(c1)OCO2"]
["177150031","c1cc(-c2ccc3cc2OCO3)ccc1CN1CCNCC1"]
["143741659","OC(CSCc1cc(Cl)cc2c1OCOC2)=NCC1CC1"]
["145010027","NCC(O)c1c(F)cc2c(c1Br)OCO2"]
["174247636","Brc1ccc2cc1CO2.CC(C)C.Cc1cnc(OS(C)(=O)=O)c[n+]1[O-]"]
["27998908","COc1ccc2c(CCN3CCCC(CN4CCc5cc6c(cc5CC4=O)OCO6)C3)csc2c1"]
["136891244","OC(CCC1CCOCC1)=NCC1(c2ccccc2Br)CC1"]
["113495448","NNC(Cc1ccccc1Br)C1CSc2ccccc2O1"]
["9714739","C=C(Br)CN=C(O)NCc1cc(Br)c2c(c1)OCO2"]
["CSSS20621727793","O=Cc1ccc2c(Cl)cn(CC3=CCOCO3)c2c1"]
["144938814","CN1CC(CN)CC1c1ccc2c(c1)COCO2"]
["101296309","C1[BH-]2[NH+]3C[BH-]4[NH+]5C[BH-]3[NH+]1[BH-]5C[NH+]24"]
["110858534","[SiH3][SiH-]1=[Si+]CCC1"]
["150133617","CC1C=CC2=C1CC2"]
["44219847","O=CCSSCC=O"]
["179983325","C[C@@H]1C=CC2=C1CC2"]
["195909146","CN1C[N-][NH+]1C"]
["67406064","[O-][NH+]1C=CCC1"]
["52885465","[S-][NH+]1OCCP1"]
["24851001","PC1CO1"]
["68842691","O=CCC=CC(O)O"]
["171580431","C[NH+]1C(=O)[CH-]CC1=O.[Rf]"]
["100183888","C[NH+]1CC2CCN1C2"]
["78799940","c1ccc2c(c1)SCS21CCS2(CCCSC2)C1"]
["96411129","Cc1cnccc1CNC1CCS(=O)(=O)c2ccccc21"]
["109983948","OC(=N[C@H]1CCSc2ccccc21)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2"]
["84735871","CCONCC1CSc2ccccc21"]
["160516192","O=C(C1CCS(=O)(=O)c2ccccc21)N1CCC(N2CCCCC2=O)CC1"]
["8384059","O=S1(=O)C[C@H]([NH+]2CCCC2)c2ccccc21"]
["171393273","c1ccc(CN2Cc3ccccc3S2)nc1"]
["7780615","O=S1(=O)CC[C@H](O)c2ccccc21"]
["124113948","CCSC1CCCC(NC2CCS(=O)(=O)c3ccccc32)C1"]
["44767223","N=C(O)CCN1CCSc2ccc(N)cc21"]
["84735267","N=C(NO)C1CCCN1CC1CSc2ccccc21"]
["107496525","N[C@H]1CCCN2c3ccccc3SC[C@@H]12"]
["172404601","[2H]c1c(Br)c([2H])c(C([2H])([2H])[2H])c([2H])c1N1C([2H])([2H])C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])C1([2H])[2H]"]
["73894620","FC(F)(F)Cc1cc(Br)cc(N2CCOCC2)c1"]
["127928434","CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1"]
["8226977","COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(O)=Nc2ccc(Br)cc2F)cc1"]
["65588846","CC(C)C1CN(c2ccc(Br)cc2F)CCN1"]
["53668293","Cc1cc(C)cc(N2CCC(NC3CC3)C2)c1"]
["158814726","Cc1cc(Br)cc(N=C(O)N2CCC[C@H](C)[C@@H]2CO)c1"]
["172401347","[2H]c1nc([2H])c([2H])c(-n2c(C([2H])([2H])[2H])nc(Br)c2[2H])c1[2H]"]
["60886764","C[C@@H]1CNC(=O)c2cc3c(F)cc(Br)cc3n21"]
["184686239","[2H]C([2H])([2H])N1C([2H])([2H])C([2H])([2H])N(C2CCN(c3ccc(N)cc3OC)CC2)C([2H])([2H])C1([2H])[2H]"]
["55549940","O=C1CN(C(=O)c2ccc(Br)cc2F)CC(O)=N1"]
["148230762","CC(C)(CNCc1ccc(Br)o1)N1CCCCC1"]
["69784587","CC12CC3(C)OC(C)(C1)P(CCCP1C4(C)CC5(C)OC(C)(CC1(C)O5)O4)C(C)(O2)O3"]
["195694304","C#CCNC1(C)CCC(C)(C)CC1"]
["73617621","CC12CC3(C)OC(C)(CC(C)(O1)C3(CP)c1ccccc1C1(CP)C3(C)CC4(C)OC(C)(CC1(C)O4)O3)O2"]
["59714464","CC12CC3(C)OC(C)(CC(C)(O1)P3OCc1ccccc1COP1C3(C)CC4(C)OC(C)(CC1(C)O4)O3)O2"]
["97309567","C[C@]12C[C@@]3(C)O[C@](C)(C[C@@](C)(O1)P3CCP1[C@@]3(C)C[C@]4(C)O[C@@](C)(C[C@@]1(C)O4)O3)O2"]
["175166672","COC(C)(C)OC1CCOCC1"]
["54416382","CC12CC3(C)OC(C)(CC(C)(O1)P3OCc1ccccc1CO)O2"]
["197545825","CC1(C)SCCC1C1(CN)CC1(C)C"]
["12587654","C[C@]12C[C@@]3(C)O[C@](C)(C[C@@](C)(O1)P3c1ccccc1)O2"]
["22908286","CCC[PH]1(C)C2(C)CC3(C)OC(C)(CC1(C)O3)O2"]
["102894171","CC12CC3(C)P4c5ccccc5P3[C@](C)(C[C@@]4(C)O1)O2"]
["185648170","CC12CC3(C)OC(C)(CC(C)(O1)C3(CP)C1(C3(CP)C4(C)CC5(C)OC(C)(CC3(C)O5)O4)CCC1)O2"]
["170533182","O[C-]=C(O)C(O)=C(O)C(O)=[C-]O"]
["192431452","I.O=[C-]O.[Na+]"]
["79119627","O=[C-]O.O=[C-]O.[Rh+2]"]
["79425273","O=[C-]O.[In+]"]
["78164791","OCCSSCCO.OO"]
["51482774","O[C-]=S.[CH3-].[Y]"]
["196559801","O[C-]CO"]
["99681151","O=[C-]O.[Ag].[NH2-]"]
["162254747","O=C1N=C(C(=O)O)C(=O)N1"]
["79283750","C=CC[NH2+]CCO.O=[C-]O"]
["171764287","O=[C-]O.[H].[Zn+]"]
["171565078","CC.CC(C)(CCO)C(=N)O"]
["96953690","COC1OC2C3CCC(C4=C3c3nc4nc4[nH]c(nc5nc([nH]c6nc(n3)C3=C6C6CCC3C3OC(OC)OC63)C3=C5C5CCC3C3OC(OC)OC53)c3c4C4CCC3C3OC(OC)OC43)C2O1"]
["173930352","COC(=O)C1=CC[C@]23CCC(C2CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)OCC1O[C@@H](n2ccc(=N)nc2O)C(F)(F)[C@H]1O)OC3=O"]
["171871477","CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(C)[nH]3)[C@H](OC)C2)nc1C"]
["183481818","COC1CCCC(c2nc3ccccc3[nH]2)C1"]
["170734183","CN1CCC(c2ccnc3[nH]c(CC4CC5(COC5)C4)nc23)CC1"]
["148865162","COC1CC2CCC(C1)N2Cc1coc(C)n1"]
["75182854","COCO[C@H]1C[C@H](n2cc(/C=C/Br)c(O)nc2=O)O[C@@H]1CO"]
["124423595","COC(=O)c1coc(C(=O)OC2CCCCC2OC)c1"]
["146734718","COC1CCN(Cc2nc(-c3ccco3)no2)C(CN)C1.Cl"]
["86290324","COc1nc(=N)[nH]c(=NC2CCCC(C)C2C)[nH]1"]
["77020437","COC1CCC2C(=O)C3=C(OC2C1)C(=O)N(c1nc(C)c(C)s1)C3c1ccc(C(C)(C)C)cc1"]
["90087917","COC(=O)c1noc2c1NCCC2"]
["179194155","N=C(NNCC1C[Cl+]CO1)N[c-]1[cH-]sso1"]
["109749117","O=C(CCc1cccc(Cl)c1Cl)N(C[C@H]1CCCO1)[C@H]1CCSC1"]
["108684997","CC[C@@](N=C(O)[C@@H]1OCC[C@H]1C)(C(=N)O)C(C)C"]
["49435660","Cc1ccccc1CC(C)NCC1CCOCC1"]
["96236944","CCCNC(=N)NC1CCCSC1"]
["105544670","CCOc1cc(C)c([C@H](O)CNC[C@@H]2CCCO2)cc1C"]
["89500045","CCC(O)CC1CC(NCC2CCC2)CN(CC(=N)O)C1"]
["131179886","CCCCN=C(O)C1CCN(C(O)=NCC2CCOCC2)CC1"]
["84678805","CCN1CCOC(CNCC(C)(O)CC)C1"]
["114810199","N=C(NO)c1ccc2ccn(CC3CCCO3)c2c1"]
["126019780","CC(CN=C(O)NCC1CCCO1)c1ccc(F)cc1F"]
["187450342","CCNC[C@H]1CN(C(=O)C(F)(F)F)CCO1"]
["180289061","CC[I-]N1CC2CN(CC)CC(C[C@H]3CN(I)C[C@@H](C)N3)C2C1"]
["78907935","CC[C@@H]1CCC(C)N1"]
["158130300","CC[C@H]1CN(C/C(C)=C\\Cl)CCCN1"]
["64452843","COc1ccc(CN2CC(C)NC(C)C2)cc1OC"]
["174638404","CCN1CCC(c2ccc3[nH]ccc3c2)CC1"]
["120017859","C=CCn1cc(C)[nH]c1=NCC1CCN(CC)C1"]
["178938507","CCN1CCC(C2CCNNC2)C(N)C1"]
["126166971","CCCCN(C)c1ccc(C(=O)N2CC(C)NC(C)C2)cc1"]
["193973926","CCC1CN(C)C1.CCOC1CN(CC)C1"]
["162480602","CCN1CC(NC(=O)c2ccc(Br)s2)C1"]
["85183260","CCCNC(COCCC)C1CN(CC)CCO1"]
["181633167","CCC1CN(CC)NC=N1"]
["99320574","Fc1c(F)c(F)c([B]O[CH-]O[B+]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B]O[CH-]O[B+]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Al]"]
["185377894","C[S+](C)c1c(F)c(F)c(F)c(F)c1F"]
["58120855","FCN(CF)c1c(F)c(F)c(F)c(F)c1F"]
["169818695","COC(=O)CC(=O)c1cc2c(F)cc(F)cc2[nH]1"]
["101032432","CC(C)=[NH+]c1c(F)c(F)c(F)c(F)c1F"]
["70185481","[B]CS(=O)CCCCOc1c(F)c(F)c(F)c(F)c1F"]
["56984560","C[N-]c1c(F)c(F)c(F)c(F)c1F"]
["199229580","FC(Oc1c(F)c(F)c(F)c(F)c1F)=C(OC(=C(F)Oc1c(F)c(F)c(F)c(F)c1F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F"]
["175417105","OP(O)(Oc1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F"]
["34052025","FC1=CC2C(c3c(F)c(F)c(F)c(F)c31)C1(F)OC21F"]
["113512234","CC(C)N(CC1CCCN1)c1c(F)c(F)c(F)c(F)c1F"]
["185281968","[O-]B(OCc1c(F)c(F)c(F)c(F)c1F)OCc1c(F)c(F)c(F)c(F)c1F"]
["45543946","O=NC1=C2CC=C(C3=CN(C4CCNCC4)NC3=C3C=CNC=C3)C=C2C=C1"]
["133079109","CC(C)(C)c1nnc(N=C(O)c2cn(C3CCNCC3)nn2)s1.Cl"]
["CSSS06595047188","CCCN(CCc1ccccn1)C(=O)c1ncn(C2CCNCC2)n1"]
["88919844","c1nn(C2CCNCC2)c2c1CCCC2"]
["173999245","NC=C(C=NC1CCNC1)C1=NC2=CC=CCC2C=C1"]
["164207701","CN(Cc1cnc[nH]1)C(=O)[C@@H]1CCO[C@@H]1CC1CCNCC1"]
["146738406","CN1CC(C(=O)N2C3CCNCC2CC3)CC1=O.Cl"]
["168385166","N=c1c(=N)n(C2CCNCC2)c2c(n1-c1ccc(Cl)c(Cl)c1)NON2"]
["139602639","CC(C)CCC1CCN(C(=O)CC(C)C2CCNCC2)CC1"]
["200116849","CC1=CC(C)(S(=O)(=O)n2ncc3ccccc32)CC(C2CCNCC2)=C1"]
["58302830","COC1=C/C(=C2/Nc3c(-c4ccc5ccccc5c4)ccnc3N2C2CCNCC2)C=CC1=O"]
["80238635","Cl.OC1=NC2CC3CC(OCCCCc4nnnn4C4CCNCC4)CCC3NC2N1"]
["171116355","CCC(=[O+][C+](CC)C(CC)=[Si-]C)C(CC)=[Si-]C"]
["68687384","CCC(C)C(C1=[O+]S(C)(C)ON1C(C)C)C(C)C"]
["107738014","C[C@H](N)Cc1cc2ncc[nH]c-2n1"]
["78480006","BC/C=C(\\CC)c1cc2c(CC)c(CC)c(CC)c(CC)c2cc1/C(=C/CB)CC"]
["97933268","CC/C(C)=C\\SNC"]
["180732755","C=C/C=C(\\CC)C1=CC(=O)CCC1"]
["186217474","C/C=C(\\CC)c1ccc(C(=O)OC)cc1O"]
["45359138","CCC[NH+]([O-])O"]
["59283660","CCC(=CCCN)c1cccc(N)c1"]
["175367786","CCCCCc1cc(O)cc(=N)[nH]1"]
["178256792","CCC(O)=N/C=C(/C)N"]
["63271257","CC/C(SCC[NH3+])=C(/C)N"]
["193404493","CC(C)(C)O[SiH](O[Si](O)(O)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C"]
["97909669","CC(C)(C)O[Si](CC#N)(OC(C)(C)C)c1ccccc1"]
["145345568","CC(C)(C)Oc1c(S)nnnc1S"]
["112422385","CC(N=C(O)OC(C)(C)C)c1cnc(Br)cn1"]
["84146879","CC(C)(C)O[Si](C)(Cl)[Si](C)(OC(C)(C)C)OC(C)(C)C"]
["94281478","Cc1nc(SCCOC(C)(C)C)sc1CC(=O)O"]
["197344730","CC(C)(C)OC(=O)n1cnc(CC(=N)S)c1"]
["26928388","CO[Si](OC)(OC(C)(C)C)C(C)(C)C"]
["26804855","CC(C)(C)OOOC(=O)C(=O)OOOC(C)(C)C"]
["54194850","CC(C)(N)C(C)(C)C(O)=Nc1cn[nH]c1"]
["149096200","CC(C)(C)c1nc(O)c(N)c(Br)n1"]
["168632551","CC(C)(C)n1ncc2c(O)nc(N3CCCN(c4cccnn4)CC3)nc21"]
["161879769","[Se+]#[Se]C([Se][Se-])([Se][Se-])[Se]#[Se+]"]
["96724872","CP(Br)C(C)(C)C"]
["170623637","[Rb+].[Rb+].[Se-][Se][Se][Se][Se-]"]
["99428028","C[P@@](Br)C(C)(C)C"]
["167326402","CC(C)(C)P([Se]c1ccccc1)C(C)(C)C"]
["101213628","CC(C)(O)/C(=C/Br)[Se]/C(=C\\Br)C(C)(C)O"]
["170616791","[Ba+2].[Se-][Se][Se-]"]
["61548776","CC(C)(C)COc1c[nH]nc1Br"]
["192238124","[Na+].[Na+].[Se-][Se][Se-]"]
["79201596","B.CP(Br)C(C)(C)C"]
["25101152","CC(C)(C)P(Br)C(C)(C)C"]
["167232467","CC(C)(C)[Te]Br"]
["171469860","CS([O-])=C1C=c2c(cccc2=c2ccc(=[Si-]C(C)(C)C)cc2)C1CCC1(Cl)C(=S(C)#[O+])C(Cl)=c2c1cccc2=c1ccc(=[Si+]C(C)(C)C)cc1"]
["152654374","Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N\\N=C(O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@H]2C1=O"]
["184102730","COc1cccc([C@@H]2O[C@@H](CC([O-])=NCCc3occc3C(=O)O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC"]
["58755939","Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4cccc5c4=c4c(C6SCCCS6)cccc4=5)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc2C=C4)C=C3)c(F)c1F"]
["28802132","CCOC(=O)CNc1ccc(NC(=O)[C@H]2N[C@@H](CC(C)(C)C)[C@@]3(C(O)=Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)cc1"]
["92645128","CCCN1CCOC(CNC)C1c1cccc(Cl)c1F"]
["150324940","CC(C)(C)CC1NC(C(=O)Nc2ccc(CCN=C(O)OC(C)(C)C)cc2)C(c2cccc(Cl)c2F)C1(C)c1ccc(Cl)cc1F"]
["185234137","C[Si-](C)(C)=c1ccc(=c2cccc3c2=CC(CC2CCCCC2)=C3)cc1.[Zr]"]
["81594281","COc1c[nH]ccc1=NC(=O)C1NC(CC(C)(C)C)C2(C(O)=Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F"]
["60160056","CC(C)(C)C[C@@H]1N[C@@H](I)[C@H](c2cccc(Cl)c2F)[C@]12C(O)=Nc1cc(Cl)ccc12"]
["181453370","C=CC(=C(c1ccc(OC)cc1)c1ccccc1NC1CCC(C)CC1)C(C)(CCC1OC(=O)c2cc(C)ccc21)c1ccc(OC)cc1"]
["175599707","CC(COC(=O)c1cccc2c(C34C=CC(CC3)C4=O)cccc12)C1CCCCC1"]
["171505413","BrCCC(Br)C12SC3SC(Br)(SC(Br)(S3)S1)S2"]
["98507568","CC(=O)CC(Br)CCCBr"]
["154108139","CC(C)(Br)[C@@H](Br)CC[C@@]1([C@@H](Br)CBr)CO1"]
["61531226","CC(Br)C(Br)C(Br)CCBr"]
["148637225","OC(=Nc1ccc(Br)cn1)C(Br)CCBr"]
["55613613","BrC(Br)C1CCCCC1(Br)Br"]
["170426506","CCC(Cc1sccc1F)CC(Br)CCBr"]
["163006719","C[C@@]1(Br)CCCC[C@H]1S(=O)(=O)CBr"]
["183188930","CCCCC(CCC)C12SC3SC(SC(S3)S1)S2"]
["185594842","BrCC(C(CBr)C1C(Br)C(Br)C(Br)C(Br)C1Br)C1C(Br)C(Br)C(Br)C(Br)C1Br"]
["195721810","CC(Br)C(Br)CCCC(Br)CBr"]
["25997832","CC(Cl)CC(C)CCBr"]
["79829253","C[PH](C)(C)[I+]BI=[BH-]I"]
["33699827","C[Si](C)(C)/C(I)=C1\\CCCC\\C1=C(\\I)[Si](C)(C)C"]
["177277155","CCC(C)(C)SC1CC(C)(S[PH](C)(C)C)C(C)C1(C)SC"]
["96739979","C[N+](C)(C)[C@@H]1CCC[C@@H]1[N+](C)(C)C"]
["186578857","CN1C=COC2CC21"]
["76783014","C[N+](C)(C)C1CCCC1[N+](C)(C)C"]
["74735375","C[C@H]1C(C)(C)[SH]1(=O)C#N"]
["79278089","CC[PH](C)(I)CC"]
["179004853","COC1[CH-]C[C@@H](C(C)I)O1.[Re]"]
["179260482","Cc1cc([C@@H]2CCCN2I)n[nH]1"]
["193379999","CC.CC1CCCC1.II"]
["191358513","C1CCCCC1.CC.II"]
["163929671","[NH3+]c1ccc(C2=Nc3cc([NH3+])ccc3[NH2+]2)cc1"]
["30354001","O=C(c1ccc(Cl)cc1)N1CC(O)=Nc2cc(Cl)ccc2C1"]
["99927086","CC1=C=Nc2cc(C)ccc21"]
["19141750","O=[N+]([O-])c1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)[NH2+]2)cc1"]
["178648366","CC=C(C=C[NH2+]C)NNc1ccc([NH3+])cc1"]
["61649","OC1=Nc2ccc(C3=NN=C(O)SC3)cc2C1"]
["120947946","CNc1ccc(-c2ccc3c(c2)C(C)(C)C(O)=N3)cc1"]
["33071888","CC[C@@H]1C(O)=Nc2ccc(-c3ccc(C#N)n3C)cc21"]
["98407057","OC1=Nc2cc(F)ccc2CN1c1cc(O)[nH]c1O"]
["179279179","CC1(C)CCc2nc3cc([NH3+])ccc3c(=O)n2C1"]
["19903662","COc1ccc2c(c1)C=C([C@H](c1nnnn1C1CCCCC1)N1CCN(C)CC1)C(=O)[NH2+]2"]
["179043645","CCSC1(c2cc(N3CCOC[C@@H]3C)nc(-c3ccc([NH3+])cc3)n2)CC1"]
["179409773","C[Cl+]C1(C)C=C(C)C2=C(SC(=C3[N-]C4=C(C=CC(C)(C)C=C4)S3)[N-]2)C(C)=C1"]
["145730776","CCCC1C=C(C(C)(C)C)C=C1[C]1C2=C=c3cc4c(cc3=C2C(=C(C)C)C2=C1C(C)(C)C=C2C)C(C)=CC4(C)C"]
["186723743","CC1(C)C=CC(N)=C(O)C=C1"]
["171628554","CCCc1cc2c(c(C(C)N)c1)C=CC(C)(C)C=C2"]
["188820737","CC1(C)C=Cc2ccc3oc4ccccc4c3c2C=C1"]
["179025189","CC1(C)C=Cc2c(n(I)c3ccccc23)C=C1"]
["173818145","CC(C)C1CC2=C(C=CC(C)(C)C=C2)O1"]
["175158250","C=C(C)C1(C)C=CC(=O)C(O)=C1"]
["29651596","CCc1c(C)csc1OC1(Oc2scc(C)c2C)C=CC(=O)N=N1"]
["96787887","CC1=C(\\Cl)C(=O)/C=C\\C(C)(C)/C=C\\1"]
["184388683","CC1(C)C=Cc2cc(C(=N)S)cc(I)c2C=C1"]
["174836048","CC1(C)C=CC(/C=C/C2CC2)=C(N=O)C=C1"]
["179137837","[N-]=C=C1[N-]C(N2CCC3(CCC[C@H]3N)CC2)=CI=CC1=S=C1C=CC=IC(Cl)=C1Cl"]
["177487680","Cc1nc(N2CCC3(CCCC3)CC2)n2ccnc2c1-c1cccc(N)c1Cl"]
["193119932","Cc1cc(N2CCC3(CCC[C@H]3C)CC2)cnc1-c1cccc(Cl)c1Cl"]
["50900143","Cc1cc(C(N)=S)ccc1N1CCC(N2CCCC2)C1"]
["166678295","Bc1nc(Sc2cc[nH]c(=N)c2Cl)cnc1N1CCC2(CCC[C@H]2N)CC1"]
["184349169","CI=C1[N-]N2CCCCC(C)([I+]C)CC[C-]2[C-]1C"]
["167472217","Cc1nc(N2CCC[C@]3(CCC[C@H]3O)C2)ccc1Cl"]
["15163781","CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1"]
["172111407","CCn1ccc(-c2cccc(Sc3ncc4nc(N5CCC6(CC5)CO[C@@H](C)[C@H]6N)cnc4n3)c2Cl)n1"]
["193723079","Cc1c(N2CCC3(CC[C@H](C)[C@@H]3N)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O"]
["181110448","NC1CC12CCN(c1c(F)cc3c(=O)ccn(C4CC4)c3c1F)C2"]
["187899527","N=C(O)c1ccc2c(c1)[C@@H](N)C1(CCN(c3nccn4c(-c5cccc(Cl)c5Cl)ncc34)CC1)C2"]
["57875887","c1cc(-c2ccc(C3=C[CH+][CH]N3)[nH]2)[nH]c#1"]
["108580434","Cc1nc2cccc([C@@H](C)N(C)O)c2[nH]1"]
["174284697","N=c1ccc2c([nH]1)N=C2O"]
["193889070","Cc1ccc(-c2ccc(-c3ccc(C)[nH]3)[nH]2)[nH]1.[C+]1=CC=CN1"]
["57963413","ClC1=c2ccc([nH]2)=C(Cl)c2ccc([nH]2)C(Cl)=c2ccc([nH]2)=C(Cl)c2ccc1[nH]2"]
["98800950","Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)[nH]4)[nH]3)[nH]2)[nH]1.Cc1ccc(S(=O)(=O)O)cc1"]
["191776128","O=C1NCc2ccc(cc2)CNC(=O)c2ccc([nH]2)C(=O)NCc2ccc(cc2)CNC(=O)C2=CC=C1C2"]
["91196478","c1ccc2c(-c3ccc(-c4c5ccccc5nc5ccccc45)[nH]3)c3ccccc3nc2c1"]
["110858552","O=S(=O)(O)c1ccc(-c2ccc(S(=O)(=O)O)[nH]2)[nH]1"]
["31879012","Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nccnc45)[nH]3)c3nccnc23)s1"]
["42891589","c1coc(-c2ccc(-c3ccc[se]3)[nH]2)c1"]
["25651200","Cc1c[nH]c(-c2ccc(-c3cc(C)c[nH]3)[nH]2)c1"]
["99450777","[CH2+]CCCOP([O-])ONCC[NH-].[Na+].[Na+]"]
["185384026","N=C(O)CCC[NH-]"]
["120266209","CC(C)CNC(=NCCCOCC1CC1)NN"]
["58156052","CCCCOP([O-])[O-].[Ba+2]"]
["180294827","CCCOP([O-])OC"]
["185520916","CCCCCCCCCCCCCCCCC=COP([O-])OCCCC"]
["49901778","CCCCCCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCCCCCC"]
["79363924","CCCCCO[PH](=O)ONCCNCC[NH-].[Na+]"]
["185513011","[O-]P(OCCSc1ccccc1)OCCSc1ccccc1"]
["185430088","[NH-]CCNc1ccccn1"]
["26803571","CCCCCOP(O)OCCCCC"]
["183708451","CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OP([O-])[O-]"]
["57630452","P[B-]=IPI=[B-](I=[B-]P)I=[B-]P"]
["99373766","CC(C)(C)C1=C(C(C)(C)C)C(P)C=C1"]
["56655877","[B]=I[B-]PP"]
["69574699","P[B-]=IP"]
["62464734","CI=[B-]P"]
["161404362","CCC(C)(N)CC(C)(C)NP1(NC(C)(C)CC)=NP(NC(C)(CC)CC(C)(N)CC)(NC(C)(CC)CC(C)(N)CC)=NP(C)(NI)=N1"]
["87065110","CCC(C)(C)Nc1ccc(C(F)(F)F)c(C(=N)S)c1"]
["103312645","CCC(C)(C)N[C@@H]1C(O)=Nc2ccccc21"]
["80423327","CCC(C)(CCO)NC(=O)c1ccc[nH]1"]
["113221229","CCC(C)(CC)Nc1ccc(N)cc1I"]
["91628673","CCOC(C)(OCC)c1nc(OC)[nH]c(=N)n1"]
["47587997","CCC(C)(CO)Nc1nc2ccc(N)cc2s1"]
["81946168","CCC(C)(CO)NC1C(O)=NC(=O)N(CC(C)C)C1N"]
["47749681","CCC(C)(N)COc1ccccn1"]
["84660961","CCC(C)(C)Nc1nc2c(C)cccc2s1"]
["113058589","CCC(C)(CCN)NS(=O)(=O)c1cn[nH]c1"]
["115259189","CCC(C)(C)Nc1nc(NN)c(F)cc1F"]
["174076414","SC1[B]B=BC(S)N1"]
["74470079","SC1NC=CO1"]
["153651909","O=C1COC[C@@H]1S"]
["153651910","O=C1COC[C@H]1S"]
["51096963","C1=C2/CC/C(=C/C3CC[C@@H](/C=C4/CC[C@@H](/C=C5/CCC/1N5)N4)N3)N2"]
["195381339","SC1[B]C2CCCN2N1"]
["30687016","C1=C2CCC(=CC3CCC(=CC4CCC(C=C5CCC1N5)N4)N3)N2"]
["183094149","SC1NNC(S)S1"]
["65393736","CC1(C)NC(S)C(C)(C)N1"]
["108949792","SC1=N[C@@H]2CC[C@@H]1N2"]
["156417416","N[C@@H]1CCC[C@H]2NCC[C@@H]12"]
["60694829","SC1=NNC(S)S1"]
["74723722","SCOC1=C(S)C(S)OC(OC2OC(S)=C(S)C(OCS)=C2S)=C1S"]
["70329783","COCC1N=C(O)OC1c1ccccc1"]
["781065","O=C(COc1ccccc1)OCC(O)=NCc1ccco1"]
["106024089","c1cnc2n[nH]c(CO[C@@H]3CCCCO3)c2c1"]
["93495533","N=C(S)c1cnc(OC2COC2)cn1"]
["20647124","CCN(CCOc1ccc(C#[NH+])cc1)C[C@@H]1COc2ccccc2O1"]
["78766512","CC(C)(C)[Si](C)(C)OCCCOc1ccc([C@@H]2OC(O)=N[C@H]2CO[Si](C)(C)C(C)(C)C)cc1"]
["74267543","Cc1cccc(C)c1OCS"]
["11284336","C[C@@H]1Oc2ccc(-c3csc(N=C(O)COc4ccccc4)n3)cc2N=C1O"]
["196000264","CC(C)[C@H]1OC(=[OH+])O[C@H]1S"]
["169243839","CC(C)(CS)C1OCc2ccccc2O1"]
["44342853","CC1=C(S)C(OC2CCCOC2)OC1=O"]
["169229543","C=C(CC1C=CB=CC1C(C)(C)C)CC(C)(C)C"]
["186049345","C=C(CC(C)(C)C)c1c(O)cccc1CCC"]
["84053285","C=C(CO)CC(=C)S(=O)(=O)C(C)(C)C"]
["90562836","C=C(CC(CC=O)c1ccccc1)C(C)(C)C"]
["199179993","C=C(COCCC#CC(C)(C)C)CC(C)(C)C"]
["163902698","CCc1ccc(N=C(O)CC(C)(C)C)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1C"]
["113140189","C=C(CC)CNCC(C)(O)CSC"]
["179520699","C=C(NCCC1C=CC=CC1)NC(N)NC"]
["164625151","C=C(C)N(C)C1=CCC(C)C=C1"]
["111434722","C=C(CNCC)Cn1cccc1C#N"]
["119054421","CC(C)(C)CC(=O)N(CC(O)c1ccc(F)cc1)C1CC1"]
["28338671","C[C@H]1CC(C)(C)C(C(C)(C)CC(C)(C)C)CC(C)(C)N2C1C1CC12C"]
["99596643","[Si]C(Cl)C(Cl)(Cl)c1c(C(Cl)(Cl)C([Si+])Cl)c(C(Cl)(Cl)C([Si+])Cl)cc(C(Cl)(Cl)C([Si-])Cl)c1C(Cl)(Cl)C([Si-])Cl"]
["68001260","Cc1cc(O)c(Cl)c(O)c1C"]
["22808650","Cc1ccc(S(=O)(=O)C(N=CO)C(Cl)(Cl)Cl)cc1C"]
["150222602","Cc1ccc(C2CC2)c(-c2ccc3c(c2)CCCO3)c1C(Cl)OC(C)(C)C"]
["95674877","Cc1cc(C)c(C(C)NC(C)C(C)(C)C)cc1C"]
["91246093","Cc1ccc(NC(N=CO)C(Cl)(Cl)Cl)cc1C"]
["94073392","CN(Cc1csc(Br)c1)CC(Cl)C(=O)O"]
["62930308","Cc1cc(C)c(C)c(C(Cl)CC(C)C)c1C"]
["MCULE-1874150028","Cc1ccc(-c2c(Cl)n[nH]c2C(F)F)cc1C"]
["120056111","Cc1cc(F)cc(C)c1C(Cl)c1cc(F)cc(F)c1"]
["185080831","Cc1cc(C)c(C(N)(N)Cl)cc1C"]
["157789888","CC[C@@H](Cl)c1ccc(C)c(F)c1"]
["196522300","[2H]P=P([F+])(P)B=O"]
["58276713","O=BP(=O)=O"]
["43150386","PNN[B]I=S"]
["78431506","O=BI(S)Cl"]
["69645841","O=BCPP"]
["184790763","[2H][P]P=O"]
["78381418","[2H]P=NF"]
["174500022","O=P([O-])([O-])OP.[Zn+2]"]
["65082330","CN=C(C)B=O"]
["78054711","[2H][P]P[3H]"]
["79486866","O=P(O)(O)P.[Ni]"]
["91488596","O=B[C+]=CB=O"]
["199854648","C[C@H]1C[C-]=C(C2=C[C@H](C)[C@H](C)C[N-]2)CC1.[2H]C([2H])([2H])C1=NC2OC3C([C@H]4CC[C@@H]([C@H](C[S-])C([2H])([2H])C(C)(C)C)C[N-]4)=CCCC3C2CC1.[Ir]"]
["MCULE-9885038992","CC1CCc2c(sc(N=C(O)c3ccc4nc(-c5ccccc5Cl)oc4c3)c2C(N)=O)C1"]
["21050514","CC(C)c1cc(C(O)=NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c2cnn(C(C)C)c2n1"]
["194223224","CC(C)(C)n1nccc1N=c1cncc(CCl)[nH]1.CC1CCC(Cc2cncc(=Nc3ccnn3C(C)(C)C)[nH]2)(C(=O)OC(C)(C)C)CC1"]
["90422167","CC1CCc2c(sc3ncn(Cc4nnc(-c5ccc(Cl)cc5)o4)c(=O)c23)C1"]
["154244122","COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1C=C(C)/C1=C\\C[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\\[C@@H]12)O3"]
["100652358","Cc1c(C(O)=NC2CCOCC2)cc2nc(C(C)(F)F)c(CC3CCC(F)(F)CC3)n2c1C#N"]
["193129746","CC1(O[Si](C)(C)C)CC1.[2H][C@@](Cc1cc(Cl)c2ncc(C#N)c(NCC(C)(C)C)c2c1)(c1ccc(Cl)cc1)c1cn(C2C3CCCC32)nn1.[2H][C@@](Cc1cc(Cl)c2ncc(C#N)c(NCC(C)(C)C)c2c1)(c1ccc(Cl)cc1)c1cn(C2C3CN(C4CC4)CC32)nn1"]
["179161787","CCC1C=c2oc3ccccc3c2=CCC1"]
["82730362","CN(Cc1ccc(Cl)cc1)C(=O)C1NNC2C(C#Cc3ccccc3)CC(CC3CCOCC3)CC2C1=O"]
["33479147","COC1O[C@H]2C[C@@H](C)CC3=CCC[C@@H]1[C@H]32"]
["83766981","Cc1cccc(NC(C)C2N=C(O)C3C4=C(CC(C)CC4)SC3N2)c1"]
["79384545","BSS(B)(B)#S(B)(B)S(B)(B)#S(B)(B)CC"]
["132536839","CCS(=O)(=O)CC(C)NC(c1cccc(C)c1)c1cccc(C)c1"]
["61309991","CCOC1C=CC(OCC)C=C1"]
["79270737","CC[C](O)S(=O)(=O)O"]
["178780428","C=S(C)(=O)CC(C)C"]
["73846894","CCCCN1C=CN(C)C1OS(=O)(=O)CC(C)(OCC)OCC"]
["161034600","CCCCl.O=S(=O)(O)SCl"]
["98961538","CC[N+](C)(C)C[SiH2]C"]
["162957550","CCON(C)S(=O)(=O)CC"]
["113624681","CCS(=O)(=O)CC[B-](F)(F)F"]
["185327297","CCC(S(C)(=O)=O)(S(C)(=O)=O)S(C)(=O)=O"]
["94578352","CC[C@@H](CO)NS(=O)(=O)C(C)(C)C"]
["184523064","ICC1CCCC([I+]CC2C=[C-]O[N-]2)O1"]
["136895579","CCCN(CC1CCCCO1)C(=O)C(O)=Nc1ccnn1C"]
["MCULE-2135619579","Cc1ccc(OCC(O)=NC2CCCC(O)C2)cc1C"]
["134130863","Cc1ccc(N=C(O)CN(C2CCCC2)C2CC2)cc1S(=O)(=O)N(C)C"]
["100625101","Cn1ccc2c(C(O)=N[C@@H]3COCC[C@@H]3OCC3CCC3)cccc21"]
["178940811","CC1CCC2(CC1)CC(CI)OC2=O"]
["138267922","CCCN(CC(O)=Nc1cc2c(cc1Cl)OCCO2)CC1CCCCO1"]
["159111944","CC[C@@H]1COC[C@@]12CC[C@@H](CI)O2"]
["3369262","OC(Cc1c(F)cccc1Cl)=NNC(O)=NC[C@@H]1CCCO1"]
["101997983","COc1ccc2c(c1)C[C@@H](CI)O2"]
["68035741","O=C(O)C1CCC(COC2CCCC2)O1"]
["MCULE-3251117870","CCC(C)OC(=O)C1CCCN(C(=O)c2cccnc2Cl)C1"]
["179010476","CC(O)C(=O)OC12CC3(OC(=O)C(C)O)CC4(OC(=O)C(C)O)CC(O)(C1)C4(C2)C3"]
["84881046","CCOC(=O)C(F)C1(O)CCCC(C(C)C)CC1"]
["149862662","COC(OC)C1=NC=C(C(=O)O)CC1"]
["158477464","COCC1(O)CCN([C@@H](C)C(=O)N(C)C)CC1"]
["166674370","CCOC(=O)C(C)C(=O)N1CCCC1"]
["130772172","CC(O)C(=O)OCc1ccccc1Cl"]
["93233792","COCCC(C)C(=O)CC1CC1"]
["98142031","CC(O)C(=O)OCCCCCCCOC(=O)C(C)O"]
["162163399","CC(=O)OCC1(C)CCCC1=O"]
["144901847","COC(=O)C(O)c1cc(F)c(C)c(Cl)c1"]
["MCULE-4391922664","CC(C(=O)O)C(C)C(O)=NC(C)C12CC3CC(CC(C3)C1)C2"]
["56581744","CCCOC(=O)CCCC(=O)OC(C)C"]
["180755762","C#[N+]CCC1CC2CC[N+]23CCC3C1"]
["198317634","CCCC1CC(C)C(S(C)(=O)=O)C1"]
["180190684","C=C(CCC1CCCNC1)C1CCC(N)CC1N"]
["184468040","C[I-]CCC1CC[C@H](C)C1"]
["104090456","N=C(O)[C@@H]1CCC[C@H](CCN)C1"]
["47517588","C#CC1CCC(CCC2CCC(CCCC)CC2)CC1"]
["48289724","CC1CCCC(NCC2CCN(C)CC2)C1"]
["107502291","CN1CC[C@@H]2C[C@H](CCN)CCN2CC1"]
["188108206","CCCC(CCC)CC1CC(NC)C1"]
["171829431","CCC1CCC(C)(N)C(C)C1.O"]
["187004851","C1CC(OCCC2CC(CCOC3CCC3)C2)C1"]
["188815206","N[C@H]1C[C@H](CI)C1"]
["190197548","[2H]C[C@H]1O[C@H]([3H])C[C@@H]1OP1(=O)N[C@@H]([C@H]2O[C@H]([3H])C[C@@H]2C)CCO1"]
["111332940","COC1CN(C=O)CCC1C"]
["156642833","C[C@@H]1OCC[C@@H]1C(O)=NC(C)(C)CBr"]
["75375847","CSC(C=O)P1(=O)OC(C)C(C)O1"]
["106039094","C[C@@H]1CCO[C@H]1C(=O)O"]
["178196196","COC1C(C)CCOC1C12CC3CC(CC(C3)C1)C2"]
["85273840","COCCN(CCC#N)C(=O)C1CCOC1C"]
["151756905","CO[C@@H]1CC[C@H]2[C@@H]1OCCN2S(=O)(=O)c1cn(C)cn1"]
["160686877","CO[C@@H]1C[C@@H](CO)N(C(O)=N[C@@H]2CCO[C@@H]2C)C1"]
["162909102","CCOC(=O)C1CCOC(C)C1"]
["162460163","CON=C(O)[C@H]1NCCO[C@@H]1C.Cl"]
["64107393","O=P1(F)OC[C@H]2NCCC[C@@H]2O1"]
["100853604","[C-]1=CC[C-]=CCC=[C-]CC=[C-]C1"]
["196006468","[C-]1=CCN=IO1"]
["167370501","O=C1CC(c2ccc(C3=NOC(=O)C3)cc2)=NO1"]
["179759462","C[C@H]1[C-]=CCC=I1"]
["198457333","[C-]1=CCCC[C-]=CCCC1.[C-]1=CCCC[C-]=CCCC1.[Rh]"]
["99357490","Cl.[C-]1=CCCCC1.[Zn]"]
["180796418","[C-]1=CCCC1.[U]"]
["62190862","[C-]1=CCCC1.[Rb+]"]
["184356886","CC1CC=[C-]N1.[CH3-].[U+2]"]
["184316347","CC1[C-]=CCN=I1"]
["177183558","C=C1C[C-]=CC1.[C-]1=CC=CC1.[Fe+2]"]
["74411077","OC1C[CH]CNC1"]
["78531179","FSOC(F)(SF)C(SF)=C(SF)SF"]
["194633745","C/C(OCC(F)(F)F)=C(/C)C(=N)C(F)(F)F"]
["91584686","CCOC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F"]
["171758490","OOOSC1CC(C(F)(F)F)CC(C(F)(F)F)C1"]
["169980498","O=Cc1ccc(OSF)cc1"]
["78329542","N=NC(=N)C(F)(F)F"]
["34431101","COC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["163093655","OCc1nc(F)c(OC(F)(F)F)cc1Br"]
["173447395","CS/C(C)=C/C=C(\\C)C(F)(F)F"]
["175712797","CN=C/C(=C/N(C)C)C(F)(F)F.Cl"]
["78337748","CCC(F)(CC)OC"]
["175194019","CCC(F)(F)C(F)(OP(=O)(O)O)C(F)(F)F"]
["184155748","[O-]C1CCC(Cl)C(C2CC([O-])CC(C3CC([O-])C(Cl)CC3Cl)C2F)C1"]
["179195411","O=[N+]([O-])C1C=NN(C2CNC[C@@H](F)C2)C1Cl"]
["179889742","CCC1CCC(Cl)CC1F"]
["43397959","Fc1cc(F)cc(C2CCCC(Cl)C2)c1"]
["30310591","FC1(F)COc2ccc(I)c(Cl)c2C1"]
["162898976","CCC(CC)[C@H]1C[C@@H](Cl)[C@@H](F)CO1"]
["162590294","ClC1[C@H]2CC[C@@H]1[C@H](Cl)C2"]
["179010606","NC1CCC(Cl)C(F)C1"]
["175208816","[Dy].[O-]C1CCC(C2CCCCC2)C(F)C1F"]
["145629227","NC1CC2CCCC(C1)C2F"]
["176206952","CS(=O)(=O)N1CCC(N)CC1F"]
["64479956","ClC1CCC([S+]2C3CCC(Cl)CC3C3CC(Cl)CCC32)CC1"]
["168748456","B=c1cc2c(c(B)c1B)=BC1C=CC(B)=CC1B2"]
["174413332","C=C(C(=N)OC=N)/C1=C/C/C=C(/OC)C=CC1N(C)CC.CCC"]
["156348349","BC1=C[C@H](I)C([C@@H]2C=CC(Br)=CC2)C=C1"]
["178573766","COC1=CC(C)C(c2[nH][nH]c(=N)c2C(=N)O)C=C1"]
["173780854","CC1=CC(C)C2=C(C)c3c(C)cc(C)n3[B]N12"]
["99928843","OC1C=CC=c2ccccc2=C1"]
["162007195","CC(C)(O)C(C)(C)OBC1=CNC(C(=N)O)C=C1"]
["48131208","CC1=CC2C(=O)C(C)=C1S2(=O)=O"]
["185315925","N=C(S)C1C=CC#CC1"]
["114782790","NC1C=CC(C(=O)Cc2ccc(Cl)c(F)c2)C1"]
["163613861","BC1=CN2C(C(N)N=C(O)CC)=CNC2C=C1"]
["70574510","CC12CCC3C4C=CC(O)C=C4C=CC3C1CCC2=O"]
["78088691","C[SiH-]1(C)CCC[O+2][SiH-]1(C)C"]
["172322352","CB1CCCC(=O)C1"]
["45055053","CB1OCCCCO1"]
["178633832","CCCCC1CCCC1[I-]C"]
["179490421","C[I-][C@H]1CCC[C@H]1C"]
["179991504","CCO[SiH-]1(C)CCCN1"]
["54615637","CB1CSC2CCCCC12"]
["79124140","C[Ge]1(C)CCCCO1"]
["74248613","CC1(N2CC3OC3C2)CCCCC1"]
["180257562","C[I-]C1CCCC(C)C1I"]
["78639505","CC(C)B1OCCCCCO1"]
["195486356","CI(I)N1CCN([I-]I)CC1"]
["96586470","BrC1=C[Se]C(Br)(C(Br)Br)[Ge]12CCCCC2"]
["162409381","C[C@H](N)c1ccc(N2CCC2)cc1Br"]
["11302402","Cc1cccc(C(O)=N[C@@H](c2ccccc2)c2nnc(N3CCCCC3)o2)c1"]
["97680066","CC[Ge]1(C(C)(C)C)C(Br)=C[Se]/C1=C\\Br"]
["44739970","NC1(c2ncc(-c3nc4cc(Br)ccc4s3)[nH]2)CCC1"]
["65382196","c1ccc([P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1"]
["169807646","CC(F)CC(F)CC(C)OC1=C(Br)C2C(C=C1)S(=O)(=O)CC2(O)C(F)(F)F"]
["MCULE-1039540951","CN(C(=O)C1CCC1)C(C#N)c1cccc(Br)c1"]
["155724090","O=C1C[C@](c2cccs2)(C(Br)Br)Oc2c1ccc1c2CCCC1"]
["198394944","C=C1CCCCC/C=C\\C(C(C)C)=N1"]
["170430243","CC(C)(C)CC(O)=Nc1nc2ccc(C3(Br)CCC3)cc2[nH]1"]
["86115177","N#CC1(C(O)c2ccccc2Cl)CCCCCCC1"]
["175737806","C=Cc1[nH]c2ccc3c(C=C)c(C=C)oc3c2c1C=C"]
["97693529","C=CC(C(O)c1ccccc1)C(F)(F)F"]
["434673","COCc1coc2ccc3c(C)cc(=O)oc3c12"]
["MCULE-3067308106","CCc1cc(=O)oc2c(C)c(OC(C)C(O)=NC(c3nc4ccccc4[nH]3)C(C)C)ccc12"]
["195045541","C=CC(C)(C)c1[nH]c2ccc(CC(O)C(C)(C)O)cc2c1C=c1nc(O)c(=C)[nH]c1=O"]
["184900586","C=C/C=C(\\C=C)c1c2ccccc2c(-c2cc3ccc4oc(C=C)c(/C=C\\C)c4c3c3c(/C=C\\C)c(C=C)oc23)c2ccccc12"]
["184708172","C=C/C=c1/oc(C=C)c(C)c1=C(C)C"]
["58826323","C=CCNCC(O)c1ccc(O)c2[nH]c(OC(=O)OCC)cc12"]
["174346587","C=Cc1c(-c2ccc(C(N)=O)cc2)c[nH]c1N=C"]
["176463329","C=Cc1[nH]c2ccc3c(c2c1/C=C\\C)N(c1ccccc1)c1ccc2[nH]c4ccccc4c2c1N3c1ccccc1"]
["23132354","C=CCN(CC=C)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O"]
["173356669","C=C/C(=C\\C=C/C)N=c1[nH]c2ccc(C#N)cc2c(=O)o1"]
["172406099","CCCO[Si-]1O[Si](=[O+]CCC)O[Si](CCC)(OCCC)O1"]
["78988802","CCCOP(OCCC)SS"]
["172899362","CCO[Si-]1CC[Si](=[O+]CC)CC1"]
["194735979","CCCO[Si]1(C)O[Si](C)O[Si-](C)[O+]=[Si](C)O1"]
["64380234","CCCOC1=C(OCCC)C(=[O+]CCC)C(=[Si-])C=C1"]
["182694856","CCCCCCCCCCCCC1CCO[Si](CCCS)(OCCCCCCCCCC)ONC1"]
["192508504","CCCOS(=O)(=O)O.CCC[O+]=C(N(C)C)N(C)C"]
["79178701","CCCO[SiH](CCC(C)S)OCCC"]
["97688011","CCCOC(C)O[SiH3]"]
["50338012","CCCO[C@@H]1OC(CC)[C@@H](O)[C@H](O)C1N=C(C)O"]
["195170255","CCCO[Si]1(OCCC)CCCCCS1"]
["182743840","CCCCCCCCCCCCCCCC1CCO[Si](CCCSC(=O)CCCCCCC)(OCCOCCOCCCC)ONC1"]
["161679385","S=CO[Te]OC=S"]
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["175699605","[CH2-]CC=S.[Na+]"]
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["17856036","CCN(C=S)COC=S"]
["174627756","CCC(C)=NOC=S"]
["79152220","CC(C)(C)OSC=S"]
["79246179","O=C(S)OC=S"]
["174720274","CC=NOC=S"]
["171820864","ClC(Cl)CCC[Si]CC[CH+]C=[Si-]CCCC(Cl)Cl"]
["44613552","ClC(Cl)CCCC(Br)CC(Cl)(Cl)Cl"]
["185693327","OP(O)OCCCCCCCCCCCC(Cl)Cl"]
["47004499","CCC[CH+]C=[Si-]C(OCC)OCC"]
["99352969","ClC(Cl)C[O+]=[Si-]CCBr"]
["161750599","NCCCCCCCCCCCCCCCCCC(Cl)Cl"]
["68364456","CSSCOCC(Cl)Cl"]
["161833134","Cl/C=C/CCCC(Cl)Cl"]
["181423975","[N-]=[N+]=NCCCCOCCC(Cl)Cl"]
["185724384","[O-]c1cccc(CCCCC(Cl)Cl)c1[O-]"]
["171884498","CCCC[Si]CCC(C)C"]
["173871484","PCCCCC(Cl)Cl"]
["190522975","[2H][N]I([2H])(=O)N([2H])I"]
["159291695","O=S(=O)([O-])NI.[Na+]"]
["162750156","CCS(=O)NC1C(C)(C)C(N)C1(C)C"]
["78470261","CC(C=N)C(C)NI"]
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["65204146","[2H]N(I)CI"]
["42159948","[2H]N(F)[PH](=O)C(C)=O.[U]"]
["195471070","C=C(N)C(=O)ONI"]
["172157343","[2H]N(I)[P+](=O)C(C)=O"]
["65714389","[2H]S([2H])([2H])(=O)I"]
["187045132","[2H]I=I([2H])(C)I"]
["46916240","CN(C)CN[C-]=O.[Y]"]
["193230030","[B+]=C1C=N[C-](CCc2c(F)ccc3c2=CC[O+]=3)[N+]2=C1[N-][N-]C2"]
["176084272","[B+]=C1C[C-](F)C(OCc2c(F)cccc2OC)=C=C1C"]
["176447135","CC(C)(C)c1ccc(F)c(CCC2CC2)n1"]
["65327240","O=C(O)Cn1nnnc1SCc1c(F)cccc1Cl"]
["58248100","Fc1ccccc1-c1ccc(/C=N\\NC(S)=NC[C@H]2CCCO2)o1"]
["171367252","CSc1ccc(F)c(CO)c1Cl"]
["149887246","NCCc1nc2ccc(F)c(Br)c2n1C1CC1"]
["93073032","CC1CC(O)=NCC(=O)N1Cc1c(F)cccc1F"]
["MCULE-1597776173","COCc1ccccc1-c1ccc2ncc(C(=O)N3CCN(S(C)(=O)=O)CC3)n2c1"]
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["6346035","COCCOC(=O)C1=C(C)N(Cc2c(F)cccc2F)C(=O)C[C@@H]1c1ccc(Cl)cc1"]
["161693168","C1CC[As]2(C1)CCCC2"]
["163763942","O[C@H]1CC[C@H](N2CCC2)CC1"]
["55703322","[CH-]1CCCCC1.[CH-]1CCCCC1.[Y+3]"]
["97388804","[O]OC1OCCCO1"]
["43229064","[CH-]1CCCCC1.[K+].[NH2-]"]
["178630001","[B-].[CH-]1CCCC1.[Mg+2]"]
["185416145","[CH-]1CCCC1.[CH-]1CCCC1.[Cd+2]"]
["161683718","[CH-]1CCC1.[Na+]"]
["91003258","ClC(Cl)C1OCCCC1Cl"]
["26683757","[CH]1CCCCSO1"]
["185858255","C1CC[PH2+]C1"]
["179962310","[Ag+].[CH-]1CCCC1"]
["180933863","CCC[OH+][Si](CC)(CCF)O[Si](CC)(CCF)O[Si](CC)(CCF)O[Si](CC)(CCF)O[Si](CC)(CCF)OSCCF"]
["78139035","CCCCO[Si](CC)(CCCS)OCCCC"]
["185681527","CCCC[Si](CC)(Oc1cccc(Cl)c1)Oc1cccc(Cl)c1"]
["65745823","CC[Si](CC[Si](C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C"]
["187097462","CCCN(C)CCC[Si](CC)(OCC)OCC"]
["171466694","CCO[Si](CC)(CNCCN)OCC"]
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["172961157","CCC[Si](O)(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)OCC"]
["160297742","CC(C)COOCC(C)C.CCCN"]
["100700977","CCCN(CC)CCCC(CCCN(CC)CCC)(CCCN(CC)CCC)C[Si](CC)(OC)OC"]
["159129599","OC1CN=C(SCCF)NC1"]
["161831063","C=COSCC[Si](CC)(CC)CC"]
["177270604","Br[SiH2]C[SiH2]C[SiH2]Br"]
["191624623","[CH2-]C[CH+]C.[CH2-]C[CH+]C.[CH2-]C[CH+]C"]
["184019170","FC(F)(F)CC[SiH2]Br"]
["181488102","[SiH3]N[SiH2]Br"]
["198785913","[SiH3]C([SiH3])([SiH3])[SiH2]Br"]
["168870294","C[Si](C)(C)N([SiH2]Br)S(C)(C)C"]
["182397266","CC[SiH2]CO"]
["78325259","Cl[SiH2]CCBr"]
["79513910","C[CH+]C(C)(CC)O[O-]"]
["79569631","CC(C)(C)[SiH2]Br"]
["79570529","CCCC[SiH2]Br"]
["79570787","Br[SiH2]CC(c1ccccc1)c1ccccc1"]
["91658206","C1=CC2=C[Se]C(=[Se]3CC=C(C=C1)[Se]3)[Se]2"]
["74762140","C1=CC=Cc2pppcc2C=C1"]
["153220417","Br/N=C1/C=CC=C/C1=N\\Br"]
["180836106","N#CC1=C(C#N)CC2C=CC=C2C=C1"]
["91306268","C1=CC=CC(=C2NCCN2)C=C1"]
["78339667","CC1Cc2c[se]cc2OO1"]
["99348810","Clc1cccc2c(C(=C3C=CC=C3)c3cccc4c(Cl)cccc34)cccc12"]
["61673493","O=C1CC=C2C=CC=C[C-]12.[Y+3]"]
["55748328","Cn1[nH]c2c(c1=O)CCN(CC1=CCC=CC=C1)C2"]
["101230345","BrC1=CC=C[C@@]23c4ccccc4[C@@H]2C2OC13c1ccccc12"]
["99406337","C1=C\\C=C/c2pppcc2\\C=C/1"]
["168644623","C1=CC=Cc2cc[cH-][cH-]ccc2C=C1"]
["164471384","[SiH2]1C2=c3c4c5c6c7c3=C([SiH2]2)[SiH2]C=7[SiH2]C=6[SiH2]C=5[SiH2]C=41"]
["149898015","N=C1[SiH]C(=N)[SiH2]1"]
["78970129","C1=CC2=CC=C1[SiH2]2"]
["190689225","CC1CC(=O)[SiH2]C1=O"]
["149634884","CC1=C(C)[SiH2]1"]
["27109667","O=C1OC(=O)[SiH2]1"]
["78440559","O=C1CCC(=O)[SiH2]1"]
["73494628","CC1=CCCC=C1C#N"]
["96659858","CC1=C(C)C(C)=C(C)[SiH2]1"]
["195614979","C=C1C2CC3C=C3C12"]
["172464815","OC1=C(O)c2c(ccc(O)c2O)C1"]
["184105763","IC1=CC=C(I)[SiH2]1"]
["97316187","C1=CN[SiH](C[SiH]2NC=CN2)N1"]
["193741668","[Cr+3].c1cc[nH]c1"]
["42230937","Cl.[Mg+2].c1cc[nH]c1"]
["193310367","[W].c1cc[nH]c1"]
["194223340","S.[Na+].c1cc[nH]c1"]
["173787614","O=[P+]1NC=CCCN1"]
["61494841","I.[Mg+2].c1cc[nH]c1"]
["174060788","C1=CNCC1.O[B]O"]
["66675759","[Cl-].c1cc[nH]c1"]
["164145065","C/C(N=O)=C1/C=C(CO)C=CN1"]
["149828290","OP1NC=CO1"]
["190157884","[Ru].c1cc[nH]c1"]
["184436139","Cc1c(F)c(F)c(CN=NC2=C(F)C(F)=C(C(C)(C)C)C(F)C2F)c(F)c1F"]
["85705455","Cc1cc(CN=C(O)C2CC2)cc(C)c1F"]
["74200663","Cc1c(F)c(F)c(COC(=O)C2C(/C=C(\\Cl)C(F)(F)F)C2(C)C)c(F)c1F.Cc1cc(C2CC2)nc(Nc2ccccc2)n1"]
["172738623","CC(O)=Nc1ccc(C(C)(C)C)cc1-c1cc(F)c(F)c(F)c1C"]
["50813520","Cc1cc2c(c(C)c1F)C(Br)CC(C)(C)CC2"]
["146105903","Cc1cccc(C(O)=NC(C)(C)CN)c1F.Cl"]
["MCULE-6034472827","Cc1ccc(CN=C(O)C(C)(CN)Cc2c(F)cccc2Cl)cc1"]
["176561889","CC.CCCN1C(=O)OC(C)c2cc(NSCc3c(F)c(F)c(C)c(F)c3F)cc(N)c21"]
["182656020","CC(C)(C)c1c(F)c(F)c(CN=[N+]=[N-])c(F)c1F"]
["MCULE-2655746280","Cn1cc(-c2cc(F)c(CC(O)=NCC3CC3)c(F)c2)c(C(F)(F)F)n1"]
["144249398","CC(O)=Nc1ccc(Cl)c(C(O)=NCC(F)(F)F)c1"]
["50560155","Cc1c(F)c(F)c(N2N=C(C(C)(C)C)C(N=Nc3ccc(Sc4ncc(C(F)(F)F)cc4Cl)cc3)C2=O)c(F)c1F"]
["195911076","CNCCN1CCCN(CCC#CNNCN2CCCN(CN)C2)C1"]
["106461013","C[C@@H](CN(CCN1CCCC1)[C@@H](C)C(=O)O)C(=O)O"]
["395028","C(#Cc1cccnc1)CCN1CCCC1"]
["106194497","CCC1(C)CCN(CCNC[C@H]2CCCO2)CC1"]
["55622776","CC(CN1CCCN(C)CC1)C(O)=NN"]
["98413713","CNC1CC=CC(N2CCN(CCC(C)C)CC2)C1"]
["170436512","CCCCN1CCCN(CC(=O)O)C1"]
["30965286","CNCCN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](c3ncccc3F)CC2)C1"]
["186176251","CNCCN1C(=O)CC[C@H]2CN(C(=O)CCCN)CC[C@H]21.Cl.Cl"]
["59795151","NCC#Cc1cnccc1C(=O)NCCN1CCCC1"]
["51407806","CNC(C)(C#N)CCN1CCCN2CCCC2C1"]
["56615995","CCN=C(O)C(C)NC(C)C1CCCN(CC)C1"]
["188082614","CC1=CC2Oc3c(ccc4c5c6c(ccc5c5c7c(ccc5c34)B3c4ccc(C)cc4Oc4cc(C)cc(c43)O7)B3c4ccc(C)cc4Oc4cc(C)cc(c43)O6)B3c4ccc(C)cc4OC(=C1)C32"]
["190527162","Cc1ccc(C=O)c(B2OC(C)(C)C(C)(C)O2)c1.Cc1ccc(C=O)c(Br)c1"]
["147675168","Cc1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)cc(C)c3n(-c3ccc4c(c3)Oc3ccccc3B4c3c(C(C)C)cc(C(C)C)cc3C(C)C)c12"]
["174364910","CC(=O)C(Cl)CN1COc2cc(C)ccc2C1C=O"]
["200040859","CC(C)(C)c1cc2c3c(c1)Oc1cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc1B3c1ccc(-c3ccc(C(C)(C)C)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc1O2"]
["194758603","c1ccc(Oc2cc3c4c(c2)Oc2c([nH]c5ccccc25)B4c2cc4c(cc2N3)Oc2cc(Oc3ccccc3)cc3c2B4c2cc4c(cc2O3)Oc2cc(Oc3ccccc3)cc3c2B4c2[nH]c4ccccc4c2O3)cc1"]
["191439399","CC(C)(C)c1cc2c3c(c1)Oc1c(cccc1-c1ccccc1-c1c4ccccc4c(-c4ccccc4)c4ccccc14)B3c1ccccc1O2.CC(C)(C)c1ccccc1-c1ccc2c(c1)Oc1cccc3c1B2c1cccc(-c2ccccc2-c2c4ccccc4c(-c4ccccc4)c4ccccc24)c1O3"]
["185990675","CC1(C)OB(c2cccc3c2Oc2cccc4c2B3c2ccccc2O4)OC1(C)C"]
["196485169","Cc1ccc2c3c1Oc1ccccc1B3c1ccccc1[Si]21c2ccccc2B2c3ccccc3Oc3c(C)ccc1c32"]
["14358388","CCc1ccccc1N=C(O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C)cc2O1"]
["7456446","CC[C@H]1Oc2cc(C)ccc2N=C1O"]
["177213213","C[Si](C)(C)c1ccc(-c2ccc3c(c2)Oc2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2O4)cc1"]
["168585104","C[Si](C)=[O+]C1C2O[Si]3(O[Si-](C)C)O[Si]4([O+]=[Si](C)C)OC5([Si-](C)C)O[Si]67OC3(O4)[Si]23O[Si](O[Si-](C)C)(O[Si]([O+]=[Si](C)C)(O6)O[Si]1(O[Si-](C)C)O3)O[Si]5([O+]=[Si](C)C)O7"]
["186208965","CNCc1n[nH]c(=NCCOC23CC4CC(C)(CC(C)(C4)C2)C3)o1.Cl"]
["33714486","CC12CCC(C(=O)O[C@@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@@H]3OC(=O)C34CCC(C)(C3)C(=O)C(C)(C)O4)(C1)OC(C)(C)C2=O"]
["58820913","C[Si](C)O[Si]12O[Si]3(O[Si-](C)C)O[Si]4(O[Si-](C)C)O[Si]5(O[SiH](C)C)O[Si](O[Si-](C)C)(O3)O[Si]([O+]=[Si](C)C)(O1)O[Si]([O+]=[Si](C)C)(O5)O[Si]([O+]=[Si](C)C)(O4)O2"]
["168588637","C[Si](C)=[O+][Si]1(O)O[Si]2([O+]=[Si](C)C)O[Si]3([O+]=[Si](C)C)OC4[Si]5(O)OC([Si-](C)C)(O5)[Si](O[Si-](C)C)(O[Si]5(O[Si-](C)C)OC3[Si]([O+]=[Si](C)C)(O5)O2)O[Si]4(O[Si-](C)C)O1"]
["168562232","C[Si](C)=[O+]C1C2O[Si]3([O+]=[Si](C)C)O[Si]4(O[Si-](C)C)OC5([Si-](C)C)O[Si]6(O3)O[Si]5([O+]=[Si](C)C)O[Si]3(O[Si-](C)C)O[Si]5([O+]=[Si](C)C)OC36O[Si]2(O4)O[Si]1(O[Si-](C)C)O5"]
["58431643","C[Si](C)O[Si]12O[Si]3(O[Si-](C)C)O[Si]4(O[Si-](C)C)O[Si](O[Si](C)(C)CCCCCOc5cccnc5C(=O)O)(O1)O[Si]1([O+]=[Si](C)C)O[Si]([O+]=[Si](C)C)(O2)O[Si](O[Si-](C)C)(O3)O[Si]([O+]=[Si](C)C)(O4)O1"]
["62572842","CC(C)O[Si]12O[Si]3(O[Si-](C)C)O[Si]4(O[Si](C)C)O[Si](O[Si-](C)C)(O1)[O+]=[Si-]O[Si]([O+]=[Si](C)C)(O4)O[Si]([O+]=[Si](C)C)(O3)O[Si](O[Si-]=[O+][Si-](C)C)([O+]=[Si](C)C)O2"]
["100230450","C[Si](C)O[Si]1(F)O[Si]2(C)O[Si](C)(O[Si-](C)C)O[Si]3(C)O[Si](C)(O2)O[Si](C)(O1)O[Si](C)([O+]=[Si](C)C)O3.FF"]
["175721421","CCC/C=C/[C@H](O)[C@@H]1CC[C@@H]1CC1CCc2ccccc2C12CNc1cc(C(=O)O)ccc1OC2"]
["168590689","C[Si](C)=[O+][Si]12OCS3(O[Si-](C)C)O[Si]4(O[Si-](C)C)O[Si](O[Si-](C)C)(O1)O[Si]1([O+]=[Si](C)C)O[Si](O[Si-](C)C)(O4)O[Si]([O+]=[Si](C)C)(O[Si]([O+]=[Si](C)C)(O2)O1)O3"]
["168892338","CNCc1n[nH]c(=NCCOC23CC4CC(C)(CC(C)(C4)C2)C3)o1"]
["24960263","[CH2+][N+]12CC[N+]([CH2-])(CC1)CC2"]
["180681747","COCCOC[N+]1(C)CC[N+](C)(COCCOC)CC1"]
["173253665","CC.[CH2-][N+]1(CC)CCCC1.[Na+]"]
["178462487","C1CC[N+]2(C1)CS2"]
["103041282","[BH2-]1CN[BH2-]CN1"]
["75841702","C[N+]12[CH]CC(CC1)CC2"]
["195293016","C1C[N+]2(C1)CC21CC1"]
["58487613","[CH2-][N+]1(C)CC[N+]([CH2-])(C)CC1.[Mn+2]"]
["79476887","N[N+]1(N)CC1"]
["67649336","[CH2-][N+]1(C)CC[N+]([CH2-])(C)CC1"]
["25804423","[CH2-][N+]1([O])CCCS1"]
["195817353","[CH2-][N+]1(C)CC[N+]2(C)CC[N+]([CH2-])(C)C[C-]2C1"]
["76239793","[1CH3]S(=[1O])(=[1O])[1c]1[1cH][1cH][1c]2[1c]([1cH]1)[1cH][1c]([1C]#[1N])[1n]2-[1c]1[1cH][1cH][1c](I)[1cH][1cH]1"]
["76239803","[1O]=[1C]1[1CH]=[1CH][1N]([1c]2[1cH][1cH][1c](I)[1cH][1cH]2)[1CH]([1c]2[1cH][1cH][1c]([1C](=[1O])[1OH])[1cH][1cH]2)[1CH2]1"]
["76239756","[1CH3][1CH2][1CH2][1CH2][1C@H]1[1C@H](I)[1CH2][1C@H]([1CH3])[1N]1S(=[1O])(=[1O])[1c]1[1cH][1cH][1c]([1CH3])[1cH][1cH]1"]
["76239933","[1CH3]/[1C](=[1C]1\\[1C](=[1O])[1CH2][1CH]2[1CH]1[1C]2([1CH3])[1CH3])[1N]1[1CH2][1CH]2[1CH2][1CH]([1CH2]1)[1c]1[1cH][1cH][1cH][1c](=[1O])[1n]1[1CH2]2"]
["150252902","B#[B-]B1B([B-]([B+])=[B+])B([B-](=[B+])[B-]#B)B([B-](=[B+])[B-]([B+])=[B+])B(C)[B-]1=[B+]"]
["192969691","[B]=[B-](C)C([B-]#B)([B-]([B+])=[B+])[B-]([B+])=[B+]"]
["64613107","[B]C([B])([B+])[B-](=[B+])[B-]#B"]
["173575367","B#[B-][B-](=[B+])[B+]C"]
["193410183","[B]=[B-]([B+])C1(B([B-]#B)[B-]([B+])=[B+])B(C)C1N1C=CN(C)[C@@H]1C"]
["172075609","[B]=[B-]([B+])P([B-]#B)[B-]([B+])=[B+]"]
["65502674","[B]=[B-]([B+])[B-]#B"]
["191887509","B#[B-][B-](=[B+])[B-]([B+])=[B+].C.[Y]"]
["100194394","B#[B-][B-]([B+])=[B+].C=CC"]
["100312143","B#[B-][B-]([B+])=[B+].Cc1ccc(I)cc1"]
["61891724","B#[B-][B-](=[B+])B1[B+]CCC1"]
["184762004","[B]C(C([B-]#B)[C@H]([B-](=[B])[B+])C([B-](=[B+])[B-]([B+])=[B+])C(C)(C)C)C(C)(C)C"]
["76085707","C=[N+](C1=CC=c2c([O-])c3c(c([O-])c2C1)=CC=C([N+](=C)N1CCCC1)C3)N1CCCC1"]
["173583015","O=[N+]([O-])c1c(Br)ncc(F)c1N1CCCCC1"]
["167355885","C=C[C@@H]1C=CC(=C)CN1S(=O)(=O)c1ccc(C)cc1"]
["74079941","O=C1CCC[CH]N1N1CCCCC1=O"]
["197747053","C=C(C)CCc1c(OC)cc(OC)c2c1N=C(c1ccc(S(=O)(=O)N3CCN(C)CC3)cc1OCC)CC2=O"]
["85548384","CNCCC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1"]
["117283188","O=C(CCc1ccc2ccc(F)cc2n1)N1CCCC1"]
["179468293","Cc1cnn2c1OCCCCC2"]
["193314232","[NH-]c1cccc(N)c1N1CCCCC1"]
["106207658","CNC[C@H]1CCCCN1c1ccc(C)c([N+](=O)[O-])c1"]
["160234376","Cc1cc2nc(C)c(CCC(O)=NCC(C)N3CCCCC3=O)c(C)n2n1"]
["156747525","O=S(=O)(N1CCCCCC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F"]
["79064218","C1C[OH+][SiH2][SiH3-]C1"]
["79080668","C1CC[SiH2][OH+]C1.[H+]"]
["167179490","CCP1(I)(CC)CCCC1"]
["190975507","C1C[OH+]C1.O=P(=O)O"]
["193642454","C=CC.C[NH+](C)C"]
["102997891","C1C[OH+]PC1"]
["171871302","N[Si]1CCCN1"]
["52333395","C[Si]1(C)CCCC[OH+]1"]
["180378508","N=C1CCI(P)CC1"]
["59301303","C1C[OH+]SC1"]
["179145275","CC1C=CC2CCCC(O)=C2N1"]
["75662657","C1CC[PH]2(C1)CCCC2"]
["26379421","[CH+]=CC1=C=CC2=C3C1=CC=C1CC=C=C(C=C2)[C-]13"]
["198612343","[B+]=C1CC=C=C2C=NC=C(C=O)[C-]12"]
["99384553","Cc1ccc(N)c(C)c1C.[B+]=C1CC=C=C2C=Cc3cc4ccccc4cc3[C-]12"]
["175466810","COC(C)(OC)C(C)C(C)OC(=O)C1C(C)CC1CC1=C=CC/C(CO)=C\\C=C/1"]
["99320806","CP(C)C.[B+]=C1CC=C=C2C=Cc3cc4ccccc4cc3[C-]12"]
["172206662","C[C+]1C=CC(C2=C=CC=C3C2=CC=C2CC=C=C[C-]23)=C=C1C1=CN=C[N-]N1C.[B].[Y]"]
["172206521","C[C+]1C=C=C(C2=C=CC3=CC=C4CC=C=C[C-]4C3=C2)[C-]=C1C1=CC=NCN1C.[B].[Y]"]
["100399867","N=C1CC=[C]C(N)=N1.[Rh]"]
["174300966","C1=CC2=C=CCN[C-]2N=1.[Es]"]
["170645479","[B+]=C1CC=C=C(c2nc3cc(C=O)cc(Cl)c3o2)[C-]1C"]
["75261956","BrC1=CC=C=C2C=CC[C]21"]
["178359942","CCOc1ccc2c(c1)N(CC1CC1)C(=C1C=C=C(I=C(O)OC(C)C)C=C1)C2C#N"]
["101519757","OB(O)CCCCC1C=C1"]
["96558649","CCCCCCP(CCCCCC)CCC1C=CC=C1"]
["175689273","[B+]=C1C=CC(CCCC[S-])C=C1"]
["69497785","OC1=NC(CCCCCCCCCCCCC2N=C(O)SN2)NS1"]
["81393737","CNC1(C(=O)O)CNCC1CCCB(O)O"]
["32384245","Cl.N[C@@H](CCCCB(O)O)C(=O)O"]
["74504696","CCCCCC(N)=CC=C1CCC(O)[C@@H]1CCCCCCC(=O)O"]
["173480136","C=c1ccc(=C2C=CC(C[NH-])C=C2)cc1.[Hf]"]
["33168025","OCC[C@@H]1C=C[C@H](O)C1"]
["174384369","CNCC1C=CC=CC=C1"]
["56688677","CCCCC1C=CC(C)(C(=O)OC)C=C1"]
["184587411","CCN=C(O)CC1C=C1"]
["68714500","S=[P+](Cl)N=[P+](Cl)Cl"]
["99404157","CP(O)(=S)OO[P+](O)=S"]
["99403573","CP(O)(=S)O[P+](O)=S"]
["68019587","F[P+](=S)Cl"]
["91516467","N[P+](=O)N=C=S"]
["173307820","O[P+](O)=NS"]
["186544302","CNC.O=[P+](Cl)Cl"]
["161906942","COO[P+](=S)OC"]
["198355914","CCC(CC)(N=[P+](Cl)Cl)[P+](Cl)(Cl)Cl"]
["46117985","ClC(Cl)Cl.O=[P+](Cl)Cl"]
["67846142","CN=S1(Cl)(Cl)C(F)(F)S(Cl)(Cl)(=NC)C1(F)F"]
["54340822","N[P+](=O)Cl"]
["196457034","FC1=CSS2=C1C(F)=C([S-])S2.[Na+]"]
["60614312","CC(=O)C1=CSNN1"]
["82286442","CC(C)=C1Sc2c(ccc(F)c2F)N1C"]
["185534810","NN1NC(F)=CS1"]
["180944302","CC1=C(F)C(=O)C=C1F"]
["162707560","Nc1cc(F)c2scc(N)c2c1"]
["59175672","C1=CC2=S(S1)SC=C2"]
["101307571","CSC1=CC=CC(=C(C)C)[C]1F"]
["175027373","CC(=O)O.O=C1CC=C(F)C(F)=C1F"]
["64265885","[Ni].[S-]C1=C([S-])SCOCS1.[S-]C1=C([S-])SCOCS1"]
["122612232","CCOC(=O)CNS(=O)(=O)c1cc(C)c(F)c(C)c1"]
["76048412","CC(C)=C1[C](F)C=CC=C1F"]
["91150573","S1[As]=S=[As]S[As]=S=[As]1"]
["91668992","S1[As]=[As]1"]
["58652151","[3H][P+](=S)I=[N-].[U]"]
["173457427","F.F.S=[PH+]Br"]
["183082226","S=[PH+]C1CCC1"]
["170689423","[3H]B(I)[PH+]=S"]
["185563728","S=[PH+]Br"]
["184554501","FI=[B-]C[B-]=IF"]
["185433777","CS[PH+]=S"]
["191226206","CC.[N-]=S.[U]"]
["172803859","F[PH+]=S"]
["185431243","C=C[PH+]=S"]
["79511022","S=[PH+]S.S=[PH+]S.[Ni-2]"]
["182165974","[N-]=NN=IF"]
["184742893","[CH-]=c1ccc(=C2C=CC(F)=CC2=[F+])cc1.[O].[Os]"]
["MCULE-9162392213","N=c1ccc(-n2ncc(CN)c2Br)c[nH]1"]
["54077086","N=C1NC(=N)NC(=C2C=C(F)C=CC2=O)N1"]
["163332668","N#CC1=CC(=C2C=CC(F)=CC2=O)NO1"]
["88184936","NCC1=CS/C(=C2\\C=CC(F)=CC2=O)N1"]
["63786020","NC(CO)(CSc1ccc(F)c(F)c1)c1ccccc1"]
["120752538","O=C1C=CC(F)=C/C1=C1\\NN=C(I)S1"]
["56110164","[CH-]=C1C=CC(Cl)=CC1=[F+]"]
["66930573","[CH-]=C1C=CC(=[F+])C(OC)=C1"]
["113708937","CCOCCC1=N/C(=C2/C=C(F)C=CC2=O)ON1"]
["162987900","Fc1cc(C(F)F)c2scc(S)c2c1"]
["1720311","CC(O)=C1C=CN(CC(=O)N=C2C=CC(F)=CC2=[F+])C=C1"]
["191003918","C=C1C2=CC3=CC(=C)[C@@]45C[C@@]46[C@@]34C[C@@]43[C@@]24C[C@@]42C(=C(C)C(C)=C4C(C)=C(C)C7=C(C)C8=C(C)[C@@H](C)[C@]9(C[C@@]96[C@@]86C[C@@]63[C@@]73C[C@]423)[C@@H](C)C5=C)[C@@H]1C"]
["172138499","C=C1C2=C(C3=C(C)C(C)=C(C4=Cc5c(C)c6c(c(C)c5C4C(C)C(C)C(C)C(C)C(C)C(C)C)C(C)=C(C)C6C(C)C(C)C(C)C(C)C(C)C(C)C)C3)C(C)C(=C)C2=C(C2=C(C)C(C)=C(C)C2)C1C"]
["179066699","CC1=c2c(NC3=C(OC(C)C)CC(=[F+])C=C3)ncnc2=CC([N-][S+](C)[O-])C1"]
["172050702","C=C1C2=C(C3=C(C)C(C)=C(C4=C(C)C5=C(C6=C(C(C)=C(C)C6C)C5C)C4C)C3)C(C)C(=C)C2=C(C2=C(C)C(C)=C(C)C2)C1C"]
["170770893","C=C(C1CCOCC1)N1CCC2(CC1)CC(=O)C(C1=C(C)C=C(C)CC1C)C(=O)C2"]
["156359335","C=C1CCC2[C@]3(C)CO[C@@H](C4CCCC4)O[C@@H]3CC[C@@]2(C)[C@@H]1CCOc1ccnc(C)c1"]
["198461958","C=C(c1ccc(-c2ccc(-n3nnc(C)n3)cc2O)nn1)[C@@H]1C[C@H]2CC[C@H](N2)[C@H]1F"]
["187791553","C=C1/C(=C\\C=C(/C)F)O[C@@H](C)CN=C(O)c2cnn3ccc(nc23)N2CC[C@H]3C[C@]132"]
["178176805","CC1=CCC(C)C(c2cc(CC(C)C)c(C(=O)O)c(C(F)(F)F)n2)=C1"]
["97725958","CC1=C(O[Si](C)(C)C)[C@@H](O[Se]c2ccccc2)[C@H]2[C@@H]1[C@@H]1OC(=O)[C@@]3(C)OC(C)(C)O[C@@H](C[C@]2(C)O[Si](C)(C)C)[C@@]13O[Si](C)(C)C"]
["182677246","COC1=CC(C)(C)c2c3c4c(cc2=C1)CCc1cncc(c1=4)=CO3"]
["186980511","C=C(NC)C1=C(C)C(N(C)C)C2CC34Cc5ccc(C)c(c5C3C)C(=C)C4=CC2(C)C1=C"]
["170464029","[p-]1[se]p2[se][p-]p1[se]2"]
["161659713","O1P2O[Ge]1(OP(O[Ge]13OP(O1)O3)O[Ge]13OP(O1)O3)O2"]
["67310456","[se]1p2[se]p3p1p3[se]2"]
["97135638","CC(C)Np1[se]p2sp1[se]p2NC(C)C"]
["170560845","[se]1p2[se]p3p1p3[se]2.[se]1p2[se]p3p1p3[se]2"]
["63779570","[pH]1[se]p2[se][pH]p1[se]2"]
["83055631","[se]1[se]p2[se][se]p1[se]2"]
["102895983","O=P(=O)O/C=C/[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=[OH+]"]
["161689774","O=P(=O)OC(CO)OP(=O)=O"]
["81419362","COC(C(O)=NC1CCc2ccccc2N(C)C1=O)C(O)C(O)C(O)C=CC(C)(C)C"]
["194630095","O=P(=O)OC(F)(F)C=[OH+]"]
["171079949","CC(Cl)OOC(=O)Cl"]
["192651850","CC(C)OP(C)(=[OH+])F.O=P(=O)F"]
["99648811","C[NH+](C)C(OP(=O)=O)OP(=O)=O"]
["161641109","O=C(O)C(COP(=O)=O)OP(=O)=O"]
["34243933","CC(C)[C@H](O)[C@H](O)/C=C/c1ccccc1"]
["57303823","O=P(=O)OC=CCc1ccccc1"]
["99690621","CC(C)CCCC(C)(F)C(=[OH+])COP(=O)=O"]
["159174908","C/C=C/[C@H](O)[C@H](C)C1CNC1"]
["149802344","N=c1nc2[n+]3c(n[nH]c3[nH]1)NN=N2"]
["187831436","N=c1nc2nc(O)n(O)c2c(I)[nH]1"]
["157867820","CC(C)(C)ONc1nc(=N)[nH][nH]1"]
["162287428","CC[N+](C)(C)Cc1nc(=N)[nH]c(=N)[nH]1"]
["120220927","COc1cc(Oc2cc(F)ccc2F)nc(=N)[nH]1"]
["82226338","CCn1cc(-n2c(=N)[nH]c3c[nH]c(=N)nc32)cn1"]
["174661134","C=CCc1nc(Cl)nc(=N)[nH]1"]
["48099502","N=c1nc(Cl)cc(-c2ccc(Br)cc2)[nH]1"]
["25753005","CSc1nc(=N)[nH]c2[nH]nnc12"]
["3019603","CCOc1cc(OC)[nH]c(=N)n1"]
["65484751","N=c1nc2[nH]nc(S)n2c(=N)[nH]1"]
["86314774","N=c1nc(Cl)[nH]c(=NCCc2ccco2)[nH]1"]
["149759021","CC1=CC(C)C(N2C=CC(CC3C(C)=CC(CCC(C)(C)N4C=CC(CC(C)(C)C)C4)CC3C)C2)C(C)=C1"]
["111936737","Cc1cc(CN2CC(C)C(N)C2)c(C)s1"]
["185378397","CCCCNC(C)(C)c1ccccc1C1C=C(C)C=C1C"]
["93827991","CCNC(CCC(C)(C)C)C12CC3CC(CC(C)(C3)C1)C2"]
["191831291","C[C@H]1C/C=C\\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(O)=NS(=O)(=O)[C@@H]1C[C@@H]1CCCO1"]
["142576470","Cc1cccc(F)c1NC(=O)C(=O)NCC(C)(C)N1CC(C)CC(C)C1"]
["138751646","Cc1c(Cl)cc(NC(=O)C(=O)N2CC3CCC2C3)cc1Cl"]
["132934776","CCc1ncc2c(n1)CN(C(O)=NCC(C)(C)N1CC(C)CC(C)C1)CC2"]
["95017332","Cc1cc(CNC(C)(C)C)cc(N2CC(C)CC2C)n1"]
["13538238","C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C(=O)C(=O)N=c2ccn(-c3ccccc3)[nH]2)C1"]
["180893836","Cn1c2c(c3c1CC1C(=C3)C(CC3C=CC=CC3)C3C=CC=CC3C1(C)C)C[C@@H]1Nc3ccccc3CCC1=C2"]
["149998680","CC(C)(C)CCC1C=CC(OC(C)(C)C)=C1"]
["102934311","[CH+]1C2[CH+]C3[CH+]C1[CH+]C([CH+]2)[CH-]3"]
["79487347","[CH+]1C2[CH-]CC1C2"]
["49140654","CC1[CH+]C(C)C(C)[CH-]1"]
["170660086","[CH+]1C2C3[CH-]C2C13"]
["100960424","[CH+]1C2[CH-]C12"]
["161909810","[CH]1C2[CH+]C3[CH-]C1C23.[Sn]"]
["97555561","[CH+]1C2[CH-]C3C1C3C2"]
["78964635","[CH+]1C2C[CH-]CC1C2"]
["180281726","[CH+]1C2CC3CC1C1C[CH-]CC2C1C3.[H].[Tl]"]
["26485592","CC1[CH+]C(C)C[CH-]C1"]
["172017509","NC1[CH-]C(N)C([O-])[CH+]C1[O-].[Au+].[Au+]"]
["79154961","[CH+]1C2C[CH-]CC12"]
["173185810","[NH2+]=C1[N+]=CN=C2C1=NC=[N+]2C12CC(O)C(O)C1(C(OP[O])(OP[O])OP[O])C2"]
["144260290","O=C(OCC1CC1(Cl)Cl)c1ccn(-c2cccc(F)c2)n1"]
["MCULE-8032932974","O=C(O)c1c(C(F)F)nn(CC2CC2(F)F)c1Br"]
["160908667","Cc1cn(C)nc1C(=O)N1CC(C)(C)CC1C"]
["133349304","CCOC1CC(N(C)C(=O)CCc2cnn(C)c2C)C12CCCC2"]
["190005182","O=P(O)(O)OC[C@]1(F)C[C@@H](O)[C@H](n2ccc(O)nc2=S)O1"]
["105673636","Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCN(C2CCCC2)CC1"]
["MCULE-9737972292","OCc1cn(CC2CC2(F)F)nc1C1CCCC1"]
["198406505","Cc1c(Cl)cccc1N1CCN(C(=O)Cn2nc(C(O)N3CCC(O)CC3)c3c2CCC(F)(F)C3)CC1"]
["178506747","CC1=NC2=II=C[N-]N2C([C@@H]2CN(C(=O)c3cc(Br)c(C)c(Br)c3)CC(F)(F)C2)=C1"]
["158293928","CC1(C)[C@@H](O)CCN1S(=O)(=O)c1ccco1"]
["120391839","COC(=O)c1ncn(CC2CCCC(F)(F)C2)n1"]
["180198544","CC(C)CNC1CC(CC(C)NN[I+]C(C)C)=[C-]C[N-]1"]
["86539189","CC(C)CNCC1CCCC1C(C)C"]
["88439724","CC(C)CNCC1(C2CCCC2)CCC(C(C)(C)C)CC1"]
["179758149","C=C1CC[C@@H](C(C)C)[C@H](OC(=O)OCCO)C1"]
["63730936","Cc1cc(CNCC(C)C)ccc1N(C)CC1CCC1"]
["180388532","CC(C)CCC1=CC(C)C(C)CC1C"]
["65923119","CC(C)CNC1(CO)CCc2ccccc2C1"]
["88663253","CC(C)CCCNCC(O)C1CC1"]
["99736409","[B+]=c1cc2c(cc1Cl)=C([O-])N(CC(=O)CC1NCCCC1OC(=O)C(C)C)C=N2"]
["94476581","C[C@H](CCO)NC1CCC(C)(C)CC1"]
["34530160","CC(CO)C1CC[C@H](C)C(=O)C1"]
["85813090","CC(CCCO)NC1CC2CCC1(C)C2(C)C"]
["190265754","O=C1C(=CC2=CC=C(N3Cc4[te]c5c([te]c6ccccc65)c4C3)C2)C(=O)c2ccccc21"]
["32436741","CC[C@@]12CN(C(=O)C(F)(F)F)[C@H]3C[C@@H]1[C@@H](C(=O)OC2COS(C)(=O)=O)c1c3[nH]c2ccccc12"]
["MCULE-7859686162","CCc1ccc(C(C)=CC(O)=NC(Cc2ccc(F)cc2)C(=O)N2CCN(c3ccccc3Cl)CC2)cc1"]
["MCULE-9890970073","CCc1ccc(C(C)N2C(=O)C(NCCCN=CO)=C(c3ccccc3OC)C2=O)cc1"]
["23293749","CCN1C(=O)/C(=C\\c2cn(CCOc3ccccc3OC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21"]
["32487188","O=C1Oc2ccccc2/C1=C\\c1ccccc1Br"]
["109307941","CN1[C@@H]2CC[C@@H]1/C(=C\\c1ccc[nH]1)C(=O)/C2=C/c1ccc[nH]1"]
["MCULE-2782841952","CC(O)=NCCN=C(O)C(Cc1ccc(F)cc1)N=C(O)CCN1C(=O)c2ccccc2C1=O"]
["91555426","O=C(O)c1cccc2c1CN1C(=O)c3ccccc3C1=N2"]
["176397078","C[C@@H]1CC2=C(C[C@H](C)N1C(=O)O)C(=O)c1ccccc1C2=O"]
["34673988","CCC/C=C/C1OC(=O)c2ccccc21"]
["121044234","O=C(CCOc1ccccc1)N1CCc2[nH]c3ccc(F)cc3c2C1"]
["167399170","S=CC=C1C=C(C=C[S-])[S+]=[S+]1"]
["26358026","C=CC=C1[C](N)C=C(N)C=C1N"]
["79921708","[Ag+].[S-]/C=C/c1cccnc1"]
["190872353","CC.O=C1OC(=O)C2CCCCC12.S=C[S-]"]
["56869735","S=CC=C1N=CON1"]
["150126265","CC1=CC(=S)C(N)CC1"]
["101010342","S=CC(=S)c1ccccn1"]
["58680346","NC1=CC(=O)OC1=CC=O"]
["179626675","O=CC=C1C=NC(=O)N=C1O"]
["164142558","S=C/C=C1\\C=CC=CN1"]
["73742329","C=C(C=S)c1ccccc1"]
["73936426","COC1=C/C(=C/C=C2/C=C(OC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O"]
["164298491","CC(C)([Si-]=C1C=C[CH+]C=C1)SC1=[NH+]CCN1.I[I-]I"]
["45174747","C/C(=N/NC1=[NH+]CCN1)C1=COc2ccccc2O1"]
["11133980","CC[C@]1(C2=[NH+]CCN2)Cc2ccccc2O1"]
["91240893","CSCC1=C[CH+]C=CC1=[Si-]"]
["174382120","C=CC(CCC(=C/C(=C)Br)/C(=C\\CC)OC(C)(F)F)=C([CH+]/C=C\\CCl)C1=[NH+]CCN1"]
["88866399","CC(C)(O)C1NCCc2c(Cl)cccc21"]
["12022593","CC(C)(C)NC1=[NH+]CCNC12CCN(S(=O)(=O)c1ccc(Cl)s1)CC2"]
["172655269","O=C(OCCCCCC[Si-]=C1C=C[CH+]C=C1)c1ccccc1"]
["11903955","OC(CSC1=[NH+]CCN1)=Nc1cccc2ccccc12"]
["29977712","Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccc(F)cc3Cl)cc2c1"]
["69162307","CCN1CCN(C(=O)C(O)=Nc2ccc(SC(C)(C)C)cc2)CC1"]
["91187517","ClC(Cl)CCCCCCCCCCC[Si-]=C1C=C[CH+]C=C1"]
["173023015","[B]/C(C)=C(\\C)OC(C)C([B])C(C)C"]
["195290164","C=CCOC(O)=N[C@H](C(C)=O)C(C)C"]
["25561894","CCC(CC(=O)OC)OC(C)=O"]
["178586042","CC(=O)[C@H](C)[N-]C(O)[C@@H](C)C(C)C"]
["175998411","CC(=O)N(C)C(C(=N)O)C(C)C"]
["66131232","C=COC(O)=NC(C(=O)O)C(C)C"]
["33515209","COC(=O)O[C@@H](C(C)C)[C@H](C)C(C)=O"]
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["170663730","C=C[C@H](OC(C)=O)P(=O)(OC)OC"]
["99663105","CC(Cl)CC(CC(C)Cl)C(C)Cl.O=P(=O)[OH2+]"]
["179580046","N1[I-]C2[C@H]3C1[C@@H]23"]
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["99688707","O[Si].[NH-][C+](O)N=[Si-]"]
["66147650","CCC[Si-]=N[C+]([NH-])O"]
["168428475","O/N=C(C(=N\\O)/C(F)(F)F)\\C(F)(F)F"]
["78452370","C[Si](C)(C)C(=N/O)/C(=N\\O)[Si](C)(C)C"]
["66054372","C.O[Si].c1ccccc1"]
["97685276","[NH-][C+](O)C1=C=[NH+]C=N1"]
["26808722","C[C+](O)C[O-]"]
["99235393","O[C+](O)C([Si])=[Si-]"]
["79119380","O=NO.[O+]#[Si-]"]
["46280755","[NH-]N=C(S)S.[NH-]N=C([S-])[S-].[Ni]"]
["195929371","C[C+](O)[N-][S-](=O)=O.[Re]"]
["26037323","[O-]C[C+](O)O"]
["173469012","C1=CN(C2=C(C3C=COS3)ONO2)OO1"]
["156448222","CCC[C@H]1NCCc2c(Cl)cccc21"]
["53797502","CCCC1SCC(C(=O)O)N1C(=O)c1ccc(CC)s1"]
["150368485","C1=CC(c2ccccn2)SO1"]
["113166486","Fc1ccc(Br)c(F)c1/C=C1/CCCNC1"]
["163241023","N[C@@H]1CCOc2c(F)cc(C(F)(F)F)cc21"]
["151887656","Cl[C@H]1C=CC(Br)=C2NC=CN21"]
["176449354","CC1NOC2=C1c1ccccc1C(c1ccc(Cl)cc1)N2C"]
["112937274","CCC1CNC2(CCCCC2)CN1CCc1ccc(Br)s1"]
["178911599","OC1C=C(N2C=C(c3ccccc3)[NH2+]2)C(O)c2ccsc21"]
["49682674","OC1CC=COS1"]
["173385898","CCCCOC1=CC(OCCCC)C=CN1"]
["149647772","C[SiH](C)O[Si]12OCS3(O[SiH](C)C)O[Si]4(O[SiH](C)C)O[Si](O[SiH](C)C)(O1)O[Si]1(O[SiH](C)C)O[Si](O[SiH](C)C)(O2)O[Si](O[SiH](C)C)(O[Si](O[SiH](C)C)(O1)O4)O3"]
["100164716","C[SiH](C)O[Si@@H]1O[SiH]2O[SiH]3O[Si@H]4O[SiH](O2)O[Si](O[SiH](C)C)(O1)O[Si](O[SiH](C)C)(O4)O[Si](O[SiH3])(O[SiH](C)C)O3"]
["174110997","CO[Si](O[SiH](C)C)(O[SiH](C)C)O[Si]12O[Si](O[SiH](C)C)(O[SiH](C)C)O[Si]3(O[SiH](C)C)O[Si](OC[SiH2]C)(O[Si](O[SiH](C)C)(O3)O1)O2"]
["175203769","C[SiH](C)O[Si]1(C)OC(C)(C)C[Si](C)(C)[Si]1(C)C"]
["103035856","C[SiH](C)O[Si]1(C(C)(C)C)O[Si](O[SiH](C)C)(C(C)(C)C)O[Si](O[SiH](C)C)(C(C)(C)C)O[Si](O[SiH](C)C)(C(C)(C)C)O1"]
["101322998","CC[Si]1(O[SiH](C)C)O[Si](C)(O[SiH](C)C)O[Si](C)(O[SiH](C)C)O[Si](CC)(O[SiH](C)C)O1"]
["97282098","CCC(O)(CC)[C@@H]1COC(c2ccccc2)=N1"]
["96671253","CC(C)O[Si]12O[Si]3(OC(C)C)O[Si]4(OC(C)C)O[Si](OC(C)C)(O1)O[Si]1(OC(C)C)O[Si](OC(C)C)(O2)O[Si](OC(C)C)(O3)O[Si](OC(C)C)(O4)O1"]
["79116585","C=C[SiH](C)O[Si]1(O[SiH](C)C)CCCCO1"]
["193537244","C=C[Si](C)(C)OCC[Si]12O[Si]3(O[Si](C)(C)C=C)O[Si]4(O[Si](C)(C)C=C)CO[Si]5(O[Si](C)(C)C=C)O[Si](O[Si](C)(C)C=C)(O3)O[Si](O[Si](C)(C)C=C)(O1)O[Si](O[Si](C)(C)C=C)(O[Si](O[Si](C)(C)C=C)(O4)O2)O5"]
["79760327","C/C(=C\\C(=O)O)C1COC(c2ccccc2)=N1"]
["173523023","CO[Si]1(O)O[Si@H](O[SiH](C)C)O[Si@]2(O[SiH](C)C)O[Si@@]3(O[SiH](C)C)OC4[Si](O[SiH](C)C)(O[Si](O[SiH](C)C)(O1)O[Si@]4(O[SiH](C)C)OC[Si]1(O)OC2([SiH2]C)O1)O3"]
["75247425","[CH+]1CC2CCC1C[N-]2"]
["182080408","[N-]=[N+]=NC1CCC2CC1C2(C(=N)N)C(=N)N"]
["184830834","P[Si](C1CCCCC1)C1CCCCC1"]
["174049804","[Cr].[Cr].c1ccc2c(c1)CC1C[N-]C(C[N-]1)C2"]
["179640528","CC1CC(=O)S[N-]1.[U]"]
["179430944","CC1CCC2C[CH+]CC12"]
["62495895","[Si]C1CCC([Si+])[N-]1"]
["102938262","[CH+]1CC2C[C@H]3CC1C[C@@H](C2)C3"]
["180495687","C=NCC1CCC1N=C"]
["65451748","CN1CC2(CC3CCC(C2)[N-]3)N(C)C1=O.[Y]"]
["96570960","[C]1C2[CH+]CC1CC2"]
["178896178","CCC1(C2C[N-]2)CC1"]
["187118358","[B]C(CN)SSC([B])([B])CN"]
["192886950","CN.NCC(N)CN"]
["195500353","CC(CN)C(C)(N)O"]
["43487381","CC(O)SSC(C)CN"]
["157899587","C[C@H](CN)[C@@H](O)C(F)(F)Br"]
["45207322","C=CCC(CN)c1ccc(Cl)c(Cl)c1"]
["87592648","CC(C)C(C)(CN)c1ccc(C(C)(C)C)cc1"]
["171486598","NCC(N)(N)C(N)(N)O"]
["158611043","CC(N)CN.[Co+3]"]
["136560319","CSC(C)C(O)=NCC(F)(F)CN"]
["78198987","F.NCC(Cl)Cl"]
["57196310","CCCC(C)CN(CCC)C(CC)(CC)CN"]
["174030781","C=PC1=C(P=C)CC[B]1"]
["74494574","C=C1CC=C([C]=O)C2=C1CC2"]
["178982287","C=[N+]1CC2=C1C1=C2CC1"]
["178619103","C=C=C=[N+]1CCC1=C"]
["75165959","C=C=C1CCSC1=C=C"]
["173870786","NC/C=C1\\[B]CC1"]
["174176942","C=C1CCCC/C1=C\\N"]
["100275723","C=PC1=CC1"]
["42511739","C=C1[C-]=CC=C(I)C1.[Br-].[Zn+2]"]
["173605658","Cc1cc(NC(C)C)cc2c1[B]CC2"]
["27032064","C=C1[C-]=CC(=C)C[CH+]1"]
["100319887","C=C1CCCC(S(=O)(=O)CC)C1"]
["187087767","FC(F)(F)C(OC1=C(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F"]
["196838019","FC(F)(F)C(Oc1cccc(Br)c1)(C(F)(F)F)C(F)(F)F"]
["171450393","FC(F)=C1C(C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=C(F)C(F)(F)C1(F)F"]
["191494506","CCCC1=CC=C(C(F)(F)Oc2ccc(C)cc2)C(F)(F)C1(F)F"]
["182557095","CON(C)C(=N)c1ccccc1OC(F)(F)F"]
["164524570","CN(CCO)CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F"]
["164244425","FC1=C(OC(F)(F)F)C(F)(F)C(F)(F)C1(F)F"]
["183928790","FC1=COC(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F"]
["25038278","[C]=C1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F"]
["23227694","FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F"]
["64002708","FC1=C(OC(F)(F)F)OCC(F)(F)O1"]
["64898796","FC(F)(F)[C@]1(F)C(F)(F)C(F)(F)[C@]1(F)Cl"]
["195859710","CN/C(C)=C(N)\\C(N)=C(\\N)[I-]C"]
["180228787","C=C(C)/C=C(N)\\C=C(/C)C(F)(F)F"]
["170433923","CN/C(N)=C(\\N)CN"]
["78509546","CN/C(N)=C\\C(=N)C(C)(C)C"]
["100964711","CNC(=O)C(N)=NOC(=O)C(C)C"]
["179972583","C=C(C)CC(N)=C(Cl)C=N"]
["174567962","C#C.CN[C@@H](C)C(C)=O"]
["173234650","CC.CC(=O)CN.CCN"]
["180352254","C=C(NC)NC/C(CC)=C(/C)NCCC"]
["78299086","CNC(C)=[C-]C(=O)OC.[Na+]"]
["175994182","COS(N)(O)OC"]
["178559523","C=C(N)/C(N)=C(\\C)S"]
["193719876","[10B]=[10BH-][10B]([10BH2])S(C)([10B]=[10B-]([10BH2])[10BH2])[10B+][10B]([10BH2])[10BH2]"]
["184286266","[B]C1CC([NH-])C[C@@H](C)C1N"]
["174102787","[B]=[B-](I)[B+]C(C)C"]
["193072330","[10BH]=[10BH-][10B]([10BH2])[10B+]S(C)(CCCCCCCCOc1ccc(=[OH+])[cH-]c1)[10B]([10B]([10BH2])[10BH2])[10B]([10BH2])[10BH2].[Na+]"]
["79447277","COC(C)OOS(C)(=O)=O"]
["180349034","[10B]=[10BH-][10B]([10BH2])S([10B]=[10B-]([10BH2])[10BH2])([10B+][10B]([10BH2])[10BH2])CCCCCCCC"]
["163336287","CN1CC(N)C(CCS(C)(=O)=O)C1"]
["190516233","[10B]=[10BH-][10B]([10BH2])S([10B+][10B]([10BH2])[10BH2])([10B+][10B]([10BH2])[10BH2])CCCCCCCC[N-]N=[N-]"]
["193264635","[10B]=[10BH-][10B]([10BH2])S([10B]=[10B-]([10BH2])[10BH2])([10B+][10B]([10BH2])[10BH2])CC(C)C"]
["96201551","CC(C(O)=NN)C(C)N1CC(C)N(C)C(C)C1"]
["112487113","CC1CN(C)CCCN1c1snc(N)c1S(C)(=O)=O"]
["184443531","[10B]=[10BH-][10B]([10BH2])S([10B]=[10B-]([10BH2])[10BH2])([10B+][10B]([10BH2])[10BH2])CCCCCCCCN"]
["146414701","Cl.O=S(=O)(CCN=C(O)CC1CSCCN1)N1CCSCC1"]
["66063306","Nc1ccc(S(=O)(=O)N2CCSCC2)c(Br)c1"]
["92742725","CC1SCCN(C(O)=NCC2CCC(C(=O)O)O2)C1C"]
["182882730","CCC1C(C)NCCN1S(=O)(=O)N=[N+]=[N-]"]
["159754971","COC1CC(NC(O)=NCCS(=O)(=O)N2CCSCC2)C1(C)C"]
["59480368","CNCC(C)(C)CN1CCSCC1C"]
["7181428","O=C1C[C@H](C(O)=NCCS(=O)(=O)N2CCCCC2)CN1C1CCCCC1"]
["9711334","CC(C)[C@H](CC(O)=NCCC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1"]
["52620321","CCCN=C(O)CN(C)C(=O)C1CCCC(N)C1"]
["121799790","CC1(C)COCCN1CCN=C(O)CCCS(C)(=O)=O"]
["107741345","C1COCC[C@@H]([C@H]2CCSC2)N1"]
["12865285","O=S(=O)(c1cccc(Cl)c1)N1CCN(CC(O)=NCCC2=CCCCC2)CC1"]
["1104738","[Se]=[Se]"]
["79251529","N.[Se]=[Se]"]
["79295120","[Se]=[Se].[Ta]"]
["52336595","F[P+](F)=[Se]"]
["187268929","[Bi].[Se]=[Se]"]
["174688202","C1CCOC1.[Se]=[Se]"]
["79098977","[Cu].[Se]=[Se]"]
["91100465","Cl[P+](Cl)=[Se]"]
["78350495","[AsH]=[Se].[GeH4]"]
["79704109","[GeH4].[Se]=[Se]"]
["79057006","[AsH]=[Se]"]
["15778026","CC(C)(C)[P+](=[Se])C(C)(C)C"]
["173046592","OC1CCNCC1OOC1CNCC(OOC2CNCC(O)C2O)C1"]
["32620008","Cc1ccc(C[C@H]2CNC[C@@H](O)[C@@H]2O)cc1"]
["147337524","O=C(NCC1CNCC1O)c1ccc(OC2CCCCC2)cc1"]
["162855114","CO[C@H]1CNCC1N=C(O)C(C)(C)N"]
["89325609","CCc1ccc(OC(O)=NC2CNC2)cc1"]
["89647622","OC(=Nc1ccccc1)NOC1CCCNC1"]
["159330707","COC(=O)c1ccc(O[C@H]2CCNC2)c(Br)c1"]
["132649490","CC(CC(=O)N1CCC(OC2CCCC2)CC1)C1CCCNC1.Cl"]
["24298130","CC(C)CCOC1CCNC1.Cl"]
["147584531","CC(F)(F)C1CCN(C(=O)C2CCNC2)CC1"]
["171766012","COC1CC(O)C(S(=O)(=O)[O-])C(S(=O)(=O)[O-])C1.[Na+].[Na+]"]
["69925339","COc1nccnc1COC1CCNC1.Cl"]
["164728461","C1=CB2C=CC[B-]2=C1"]
["79466311","C[C](C1=CC=CC1)C1=CC=CC1.Cl.[Zr]"]
["101327076","Cl.O=C(O)C1=CN2CC=CC=C2C=C1"]
["79339921","C1=CC=CCN=1"]
["68819036","C[S+](C1=CC=CCC1)c1ccccc1"]
["195882113","O=PC1=CC=CCN1"]
["161707134","CSSC1(C)CC=CO1"]
["75008255","[O]S(=O)(=O)C1=CC=CCC1=S"]
["46913488","CC(C)C1(C)CC=CO1"]
["188228718","C1=CB2CB2C1"]
["26730502","CCC1(C)CC=CO1"]
["181513670","BrC1(Br)CC=CO1"]
["170411549","CN(C)C(=NC1[CH+]C([NH+]=C(N(C)C)N(C)C)C(N=C(N(C)C)N(C)C)NC1N=C(N(C)C)N(C)C)N(C)C"]
["57202278","CN=C(N(C)C)N(C)N(C)C"]
["168647400","Br.CN(C)C(=NCCCCCCN=C(N(C)C)N(C)C)N(C)C"]
["74342721","COc1cc(OC)c(C(O)=N[C@H]2CC[C@@H](N=C(O)c3cc(C(O)=N[C@H]4CC[C@@H](N=C(N(C)C)N(C)C)CC4)c(OC)cc3OC)CC2)cc1C(=N)O"]
["106657583","CN(C)Cc1cc(=NC(=O)c2cc(C(C)(C)C)nn2C)[nH][nH]1"]
["179403328","CN(I)S(=O)(=O)c1ccc(C2=CSC(N=C(O)C3CC3)N2)cc1"]
["60687292","CN(C)C(=NCCOCC[NH+]=C(N(C)C)N(C)C)N(C)C"]
["53943291","CN(C)C1=NC(=C(N)N=O)N=C(N(C)C)N1"]
["93121114","CC1OCCC1N(C)C(O)=NC1CC1"]
["179232255","CN(C)C(O)=NC1CCC(CCNCCNc2cccc3ccsc23)CC1"]
["159161625","C[C@@H]1CC[C@@H](N=C(O)N(C)C)CS1"]
["12671123","C=C(C)C(=O)N(Cc1ccco1)[C@@H](C(O)=NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1"]
["91312697","[C+]12C3[C+]4C1C15C2C31C45"]
["55646953","ClC12C3CC3[C+](C3CC31)C1CC12"]
["43573064","OC12C3CC3[C+](C3CC31)C1CC12"]
["91412712","CC1C23C4C2C143"]
["102956169","[C+]12C3C1C1C2C31"]
["62737251","CS[C@H]1[C@H](Cl)C1(C)C"]
["179055013","CC1CC2CC3CC4CC(C1)C234"]
["97863674","CN[C@@H]1[C@@H](NC)C1(C)C"]
["53164616","C[C+]1C(C)C(C)C(C)C1C"]
["159348790","CCCCN[C@@H]1C2CCN(CC2)C12CC2"]
["195394470","C[C@H]1NCN(C)C1(C)C"]
["25247620","FC1[CH]C1(F)F"]
["196697502","C1#SC2=C(C1)Cc1[c-][c-]sc12.[Y].[Y]"]
["148012593","Cl.Cl.O=C(c1cscn1)N1CCC2CNCC2C1"]
["157854931","Cc1sccc1[C@@H]1NCCCS1"]
["101196035","C=P(C1=CC=[C]C1)(N(C)C)N(C)C.[Li+]"]
["194688006","FC1(F)CCCCc2c[c-]sc21.[Cs+]"]
["33802685","CC1=C(C)CC([Si](C)(C)C)([Si](C)(C)C)SC1"]
["67077267","C1#Sc2c(sc3[c-][c-]sc23)C1.[Li+].[Li+]"]
["157854932","Cc1sccc1[C@H]1NCCCS1"]
["190834379","COC1(OC)C(Cl)=C(Cl)C(Cl)=C1Cl.ClC1=C(Cl)C(Cl)=C(Cl)C1"]
["157983609","C[C@]1(c2nc(=N)[nH]s2)C[C@H]1F"]
["162842285","CC1(C(N)c2cscn2)CCCC1"]
["77335141","Cc1ccc(C)c2c1CC(=NN)C2=O"]
["79381698","C1=C[SeH](c2coc([SeH]3C=CC=C3)c2)C=C1"]
["91629597","OCc1occ(Cl)c1Cl"]
["158926224","Cc1cc2occ(C(=O)N3CCO[C@H]([C@H](C)O)C3)c2cc1C"]
["88988573","[C-]#[N+]CCc1coc2cc(F)ccc12"]
["162168414","CCCc1coc(CO)cc1=O"]
["175214989","CCCCP(P)(CC)(CCCC)CCCC.O=C(O)c1cc(CO)co1"]
["70106062","CC(C)C(N)c1cc(Cl)co1"]
["48299101","NC(c1cc(Cl)co1)C(F)(F)F"]
["182431774","[N-]=[N+]=Nc1occ(CO)c1-c1cc(CO)co1"]
["183780266","Cc1coc2cnc(C(C)Sc3nccc(Cl)n3)cc12"]
["86560887","NCCc1coc2c(Cl)cc(Br)cc12"]
["25647075","O=C(O)c1cc(O)co1"]
["64558288","C1SC1C1C[Te]C(C2CS2)[Te]1"]
["79463165","C1C[Te]C(COCC2CS2)C(COCC2CS2)[Te]1"]
["84090259","OC1CC2CSC1C2"]
["47683218","FC1CSC(F)C1"]
["107526441","N[C@@H]1CSC2(CC2)C1"]
["179368396","CC1CCC(C2CCC(C3CCCC3)SC2)CC1"]
["87913508","CN1CCCC2(CC(N)CS2)C1"]
["52256561","CC(O)=NC1CSC2CCCCC(=O)C12"]
["76043743","O[C@@H]1C=CC=CC1C1CS1"]
["188021445","C[C@@H]1[C@@H](C2CS2)OC(=O)N1CC1CCOCC1"]
["178553674","C1CC2SCC2C2CCC12"]
["81622194","NC1C2CCC1SC2"]
["173497690","[B]C1([B])C(=[B])C([B])(C)C([B])([B])C([B])(C)C1([B])C"]
["179426692","[B]C1([B]C)OCCO1"]
["180207707","[B]C1(C)OC(=O)C(C)=C1OI"]
["173773347","[B]C1(C)C(C)(C)C1(P)C(O)(F)P"]
["162463295","[B+]=[PH]1C(C)(C)C([CH2+])C1(C)C.[Li+]"]
["59703249","CCC1(C)C(Cl)=C1Cl"]
["51650680","CC(C)C1(C)C(=O)SC1(C)C"]
["149743648","CCC(C)C1C2C3(CC)CC45C1C24C35C"]
["168903103","CC12OC(=O)C(=O)OC1[P+]2(F)F"]
["100512385","CC1(O)c2ccccc2C(=C2C=CC=CC=C2)c2ccccc21"]
["119231826","CC1=C/C(=C2/NC(C)=C(CN)C2=O)NN1"]
["25434181","CC1CC(=O)C(C)C1(C)C"]
["170544549","BB(Cl)B(Cl)B[BH2-]Cl"]
["167327913","CC/C=C(\\CC)B(Cl)Cl"]
["147608396","C[Si](C)(C)N(B(Cl)Cl)B(Cl)Cl"]
["174854679","N.OB(O)Cl.[Zn]"]
["78410049","BBB(B)I"]
["170544547","BBBB[BH2-]Cl"]
["161554204","OB(O)Cl.[Ba].[Pb]"]
["79366222","CCN(B(Cl)Cl)[SiH](Cl)Cl"]
["57501469","ClB(Cl)/C=C/B(Cl)Cl"]
["26783818","[NH]C=C(Cl)Cl"]
["185217911","C[SiH](C)N(CCl)B(Cl)Cl"]
["77335439","CCC=C(CC)B(Cl)C(=CCC)CC"]
["172849308","NS1=NC2=NC(=[NH2+])CC2=C1"]
["96982226","Oc1c2cc(C#Cc3cccnc3)cc1Cc1cc(C#Cc3cccnc3)cc(c1O)Cc1cc(C#Cc3cccnc3)cc(c1O)Cc1cc(C#Cc3cccnc3)cc(c1O)Cc1cc(C#Cc3cccnc3)cc(c1O)Cc1cc(C#Cc3cccnc3)cc(c1O)Cc1cc(C#Cc3cccnc3)cc(c1O)Cc1cc(C#Cc3cccnc3)cc(c1O)C2"]
["174995552","O=S1C=CC2=NC=NCC2=C1"]
["162293305","N=C1CC(O)=NC(c2cncs2)=N1"]
["74137457","CC(C)C1=C(C(C)C)c2ccncc2C1"]
["120864853","CCC(C#N)C(c1ccc2c(c1)CC(O)=N2)N(C)C"]
["60708910","[CH-]=C1C=NC(N(C)C)=[N+]=C1"]
["163043442","O=C1N=C(Cl)N=C2CC(Cl)=C(Cl)C=C12"]
["119874733","CN1NC=C/C1=C1\\N=c2cc(Br)cc(N)c2=N1"]
["172011483","COc1ccc2c(c1O)N=C(O)C2"]
["100620746","CN1Cc2ccc(CN(C)c3cc(C4CC(N)C4)ncn3)cc2C1"]
["46293008","c1cnc(N2CC[CH+]CC2)nc1"]
["183098478","CCCSCC1[Se]C[SeH]2OC2[Se]1"]
["120985228","CCCSC1COCCN1"]
["55505432","CCCSP1OCCCO1"]
["87563982","CCCOc1ccc(C(C)C)cc1C(=O)CSCCC"]
["111429774","C=C(CN)CSCCC"]
["112288437","CSCCCCCNC1CCOC1"]
["18957420","CCCSCCN1CCOCC1"]
["167194852","CCCC/C=C(\\CCCC)CCSCCC"]
["114777410","CCCSCC(N)Cc1ccc(Cl)c(F)c1"]
["32137988","CCCOC(=O)[C@@H]1CCCN1CP(=O)(O)O"]
["84960329","CCCNC(CSCCC)C(C)CC"]
["97741666","CCCCSc1ccsc1[Si](C)(C)C"]
["178685894","CN=C(Br)N(N)COCC[Si+](C)C"]
["172796713","CCCCCCCCCCCCCCCOC(O)=NC"]
["126556348","C=C(Br)CN(C)CCOCC"]
["172573318","C[B]CC(=NC)/C(C)=C(\\N)OCC"]
["111573469","CCN=C(CCOCC(F)F)NN"]
["48600065","CN(C)C(N(C)CCOCCOCCN(C)C(N(C)C)=[N+](C)C)=[N+](C)C"]
["117993342","CCCCOCCCNC(=NC)NCCOCCCC.I"]
["91629312","CCOC(=O)C(N=C(O)CN)C(C)C"]
["145869074","CCOCCOC(C)C(=O)N(CC)CC(=O)O"]
["113807106","CN=C(O)C(C)CN(C)S(=O)(=O)c1cc(N)c(Br)cc1F"]
["118157997","CN=C(NCCCCCOC)NCCCOCCOC.I"]
["120060234","CN=C(O)C(C)CN(C)c1ccc(N)c(OC)n1"]
["177027403","ClC1=NC2=[N+](PI)[CH-][N-]C2=C=N1.[W]"]
["96860604","FC1=C=C(Cl)[C](I)N=C1F.[Li+]"]
["80508778","O=C1N=C(Cl)N=CC1I"]
["16478939","O=C1N=C(/C=C(\\[O-])c2ccc(Cl)cc2)S/C1=C\\c1cc([N+](=O)[O-])ccc1Cl"]
["25864334","F[C]1N=C=C(F)C(F)=C1Cl"]
["74100368","CC1=N[C](Cl)C(F)=C=N1"]
["46607165","C=C(N=C(O)C1=C(N)N=C=C(C)[N-]1)NC.[Y]"]
["26403713","ClC1=C=NC(Cl)=C(Cl)[N]1"]
["162145682","CC1=C(C)C2=NC(Cl)=NC(=O)C2=CC1"]
["172584207","Clc1nc(Cl)c2nn(PI)cc2n1"]
["75671967","[O][N+]([O-])=C1C#SC(Cl)=N1"]
["167320483","ClC1=C=N[C-]=C(Cl)[N-]1.[Li+].[Li+]"]
["70570104","C[O+]=[C-]C=CC1COC(C)(C)O1"]
["49379905","CC1(C)OCC(C2C=Cc3cc(F)ccc3O2)O1"]
["76779032","CC1(C)OCC(C(O)C(C2COC(C)(C)O2)N2CCCCCC2)O1"]
["82474260","CC1(C)OCC(CC2OC(C)(C)OC2(C(=O)O)C(N)(N)N)O1"]
["112070129","Cc1cc(F)cc(C(O)=NCC2COC(C)(C)O2)c1"]
["83063121","CC1(C)OCC(Cc2ccccc2C2OCCCO2)O1"]
["33655178","CC(/C=C/CO)=C\\C1OCC(C)(C)CO1"]
["194710530","C[C@@H]1O[C@H](/C=C/c2cccc3c2COC(C)(C)O3)[C@H]2OC(C)(C)O[C@H]21"]
["167286282","CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3C2(O)C2SCCCS2)O1"]
["50620100","CSc1nsc(OCC2COC(C)(C)O2)n1"]
["96757732","CC([C@H]1COC(C)(C)O1)N(O)Cc1ccccc1"]
["34144698","C/C=C/CCC1([C@H](O)CO)OCCO1"]
["75565817","CN1P=[N+]PN(C)P1"]
["156140299","CN1CCCCC[C@@H]1C(C)(C)C"]
["81836988","CN1c2c(Cl)cnc(=O)n2CC1(C)C"]
["96953329","CN1[As](C)N(C)[As]1C"]
["180625307","CN1N=NN=I1"]
["75613883","CN1CC[N]C(C)(C)C1"]
["190257016","CN1C=CS/C(=C2/SC=CN(C)C2=O)C1=O.CN1C=CS/C(=C2\\SC=CN(C)C2=O)C1=O.II"]
["193191947","C.Cc1nc(Cl)n[nH]1"]
["162118852","Cc1nn2c(c1CCl)N(C)CCC2"]
["91081173","Cn1cccp1"]
["171078980","CCS(=O)(=O)O[Si](CCl)(CCl)CCl"]
["173667303","CN1[B]N=BN=P1"]
["50214713","C[S+](C)C#CCl"]
["53899358","C=CC(O)(C#CCl)CC"]
["78093031","CC=[C]Cl.[Pd]"]
["32265437","CC(C)(Cl)C#C[Si](C)(C)C"]
["79640476","CC(C#CCl)C[S]"]
["190284231","CCCC.ClC(Cl)Cl"]
["25932560","[CH]=CC#CCl"]
["172764738","C[S+](C)C.O"]
["151683842","C[S+](C)B(Cl)Cl"]
["173996171","N=C(O)N(C#CCl)N=O"]
["90953405","C[Si](C)(C)N(CC#CCl)[Si](C)(C)C"]
["49920576","[C-]#CCl.[Li+]"]
["91457866","O=[si]1oo[si](=O)o1"]
["50298088","O=[Si]1NCCN1"]
["175240714","O=[Te]1(=O)OOO1"]
["185865797","O=P([O-])(OBr)OBr"]
["78719745","O=[Si]1CC1"]
["177121964","O=[Si]1OC(O)(C#CCO)O1"]
["65083153","O=C1O[B]O1"]
["172321161","O=C=C1O[Si]1=O"]
["172334409","O=[Si]1OC23OCC12O3"]
["161675143","O=[Si]1CCC1"]
["172965436","C=CC(C=C)=C1O[Si](=O)O1"]
["175751606","O=[Si]1CC=[SiH]1"]
["97311301","FC(F)(COP1N=P(F)(F)N=P(F)(F)N=P(F)(F)[N-]1)C(F)(F)C(F)(F)CO[P+]1=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1"]
["50975839","FC(F)(F)OP1(F)=NP(F)(F)=NP(F)(OC(F)(F)F)=NP(F)(OC(F)(F)F)=NP(F)(OC(F)(F)F)=NP(F)(OC(F)(F)F)=N1"]
["181399959","CCOCC(F)(F)C(F)(F)C(F)(F)COc1c(O)ccc2ccccc12"]
["199162534","FC(F)(F)C(F)(F)C(F)(F)CCO[P+]1=NP(OCCC(F)(F)C(F)(F)C(F)(F)F)(OCCC(F)(F)C(F)(F)C(F)(F)F)=NP(OCCC(F)(F)C(F)(F)C(F)(F)F)(OCCC(F)(F)C(F)(F)C(F)(F)F)=N1"]
["67832388","COP1(F)=NP(C)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1"]
["74620245","FC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=N1"]
["119319131","C[Si](C)(C)OS(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)COS(C)(=O)=O"]
["173506203","F[P+]1=NP(F)(Cl)=NP(F)(F)=N1"]
["172716400","FP1N=P(F)(F)N=P(F)(F)N1"]
["118640757","CN=C(NCc1cccc(OC)n1)NCc1ccc(F)cc1C(F)(F)F.I"]
["99782823","F[P+]1=NP(F)(F)=NP(F)([n+]2ccccc2)=N1"]
["75381044","FC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1"]
["47442719","[B]1[AsH]B=[AsH]=B[AsH]1"]
["193645029","CN(O[I-]OI)ON(C)ON(C)[I-]N"]
["195769694","CN(C)ON(N)N"]
["184873440","CO[I-]N"]
["180087747","COC([NH-])CC[I+]C[CH-]C(=O)OI"]
["179251925","CN(CC[N-]CI)[I-]N.[Re]"]
["180569203","COC(=O)C(C)(CC(C)(N)N)C(C)(C)I"]
["150155122","CN(C)CCOC(=O)C(C)(CC(C)(C)N)C(C)(C)C"]
["195660632","CONN(C)NOI"]
["150372721","CC=CN(C)C(C)=N"]
["182149460","COC(N)N(C)F"]
["195429033","CN([O-])ON(C)ON=O"]
["195600652","CNONO[I-]OI"]
["173145092","[B+]=C1N=C[N-]C2=C1N=c1c(ncnc1=[B+])[N-]2"]
["175154285","[B+]=C1N=C[N-][N-]C1=[B+]"]
["63056179","COC1=C(C)C(=C=O)N=C[N-]1.[Li+]"]
["199047241","COCC(NS(=O)(=O)c1ccc(N)cn1)C(=O)O"]
["177051443","[B+]=c1cnc2c(n1)[N-]C(C=O)=NC=2"]
["176206054","C=C/C=C(\\C=C/C)c1ncnc(C(/C=C\\C)=C/C=C)n1.CC.CC"]
["82105449","[NH2+]=c1[nH]c2ncnc-2cn1C1CCC1"]
["42838220","[B+]=C1[N-]C=Nc2cc(C)c(C)c(C)c21"]
["MCULE-1199016462","COCc1cc(-c2ccc(O)c(OC)c2)ncn1"]
["100275413","[B+]=C1N=CC=N1"]
["89350234","c1nc2c(c(C3CCCO3)n1)CNC2"]
["174256068","[B+]=C1N=C(N2CCOCC2)c2cccnc2[N-]1"]
["170520860","[O+]12C34[O+]5C16C51C35C24C615"]
["177861044","CC1(C)C[P+](C)(C)CC1(C)C"]
["173085513","[Cl-].[O-]N=[S+]O"]
["195319550","[nH+]1ppppp1"]
["148794307","B1CCC12CCN2"]
["96529803","C1NSN=S=NS1"]
["161971707","CCC1=NSNCC=C1"]
["53590321","C1=CNSN=C1"]
["173296736","OC1=NSNSC1"]
["78998134","CC1=C[N]NC1"]
["162266190","O=C(O)C1CCCC2C(O)=NCNC12"]
["96668032","OC1=NSNS1"]
["75372303","OC1=C[N]SN1"]
["158878260","C1CSCN1.OC1=NCCS1"]
["62517029","C1N=C2SCNC2N1"]
["66668548","O=C1CC=CC2NCSC12"]
["81036592","OC1=NCNSN1"]
["69763533","C[N+](C)(N)C=CC[N+](C)(C)N.[Br-].[Br-]"]
["59974183","C1=CC2=CC=C1C2.C=C[N+](C)(C)CC.[Cl-]"]
["174869991","C=CC[N+](C)(C)C=C.O"]
["174729785","CCN.Cl.S"]
["178391522","C=CC(C)CC[N+](C)(C)C"]
["178667895","C=C(/C=C\\CN)CC"]
["165844854","C/C=C/C[N+](C)(C)C1CCCC1"]
["78766678","CCCCC/C=C\\C/C=C\\CCCCCCCCO[N+](C)(CCCC)OCCCCCCCC/C=C\\C/C=C\\CCCCC"]
["33229904","CC[N+](C)(C)C.[Br-]"]
["79044686","C=CC(=O)[N+](C)(C)CCCN"]
["144929092","COc1c(F)cc(C(C)(F)F)cc1/C=C/CN"]
["79572540","C[N+](C)(O)CCl"]
["173985684","B#SB=C1C(C)=BB=C(C)N1[B]C"]
["29838374","Cc1cn(-c2ccc3nnc4c(C)nc(-c5cc(Cl)ccc5Cl)n4c3n2)c(-c2cc(Cl)ccc2Cl)n1"]
["176368145","Cc1cc(-c2ccccc2C(=N)O)n(-c2ccc[nH]2)n1"]
["176875253","CC.CSNc1cncc(C)c1"]
["79360923","C[C]1C(C)=CC(=[Se])C=C1C"]
["81671966","C[B]n1cc(C)nn1"]
["74125842","Cc1c(C(=N)S)cnn1CC(F)(F)F"]
["108312232","Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N=c1[nH]c2c(s1)c(C)nn2C"]
["156605521","Cc1nc(N2CCC[C@H]2C)ccc1CCl"]
["62211369","C[B]N1C(=O)C(C)(c2ccccc2)N=C1SC"]
["157220935","Cc1nsc(N2C[C@H](O)C[C@H]2C(=O)O)n1"]
["115672527","Cc1csc2nc(=NS(C)(=O)=O)[nH]n12"]
["174476644","O=CC(=O)C1=c2cc3c(cc2Cc2cc4c(cc21)CCCC4)=Cc1cc2c(cc1C3)CCCC2"]
["9926425","COc1cccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)c1OC"]
["130323995","O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)CCC2"]
["138146140","O=S(=O)(NCCC(O)=NNc1cccc(F)c1)c1ccc2c(c1)CCCC2"]
["69733025","O=C(CC1SC(=NN=Cc2ccc(Cl)cc2)N=C1O)c1ccc2c(c1)CCCC2"]
["148848883","COc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)nc(OC)n1"]
["120861859","CN(C)C(/C=C/C(=O)O)c1ccc2c(c1)CCCC2"]
["117480258","O=C1CC(NS(=O)(=O)c2ccc3c(c2)CCCC3)CN1C1CC1"]
["174357193","C/C=C(\\C/C=C\\CF)C(=O)c1ccc(OC(C)CCC2=CCCCCC2)cc1.O=CO"]
["137920729","COC(=O)C(C#N)=Cc1ccc2c(c1)CCCN2C"]
["147195196","CC1(CN)CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1.Cl"]
["91056966","[O-][N+]1=C(CC(O)CO)CCCC1"]
["170679529","[S-][Se]CC[SeH]"]
["79431467","[SeH]CCCC[SeH]"]
["101166778","CCOC(=O)CC[SeH]"]
["56476014","CC[CH-]OC.[Y+3]"]
["101027447","[Se-]C[Se][SeH]"]
["190807112","CC[Se]CCN(C)CC[Se]CC"]
["175021625","OCCC[Se][SeH]"]
["161850314","CCCC[Se][Si](Cl)([Se]CCCC)[Se]CCCC"]
["175140750","FC[SeH]"]
["91151812","N#C[Se]CCCCC[Se]C#N"]
["174422643","C[Se]CC[C@H](N)C(=O)OC[SeH]"]
["175212499","NSCC[SeH]"]
["96942404","C=C=C=[O+]C(=C=C)OC(=C=C)O[C-]=C=C.[Li+].[Li+]"]
["97515055","C=C=C(OC)N(C)C"]
["174935066","C=C=C(OC)c1ccccn1"]
["10999903","C=C=C(C)C(=O)OCC"]
["53629794","[B]C[C-]=C=C"]
["167210099","C=C=[C-]OCCOCC.[Li+]"]
["195473012","C=C=C=C(OC)N(C)C(C)(C)NC"]
["175466983","C=C.C=C=C(C)C.O=C(O)O"]
["58418851","C=C=[C-]C.[Li+]"]
["169875950","C=C(CC)CNNC"]
["177539093","C=C(F)C(=C)NNC"]
["34385358","C=C=C(C)C(C)=[C-][CH2-].[Li+].[Li+]"]
["91462748","B1=C2C3=BC34B=C4C3=BC123"]
["97166103","C1=C[P@@](c2ccccc2)CC1"]
["185999339","[2H]OC1=[C-]OCC1"]
["179250634","[NH-]N1[N]B=C1O"]
["34414994","C1=CP(c2ccccc2)CC1"]
["148817559","IC1(I)[C]2C(I)(I)C3(I)C(I)(I)C1(I)C(I)(I)C(I)(C2(I)I)C3(I)I"]
["91305395","CC1(C)P(c2ccccc2)P(c2ccccc2)P(c2ccccc2)P1c1ccccc1"]
["91289846","O=C1C=CC=CC(=O)C1(Br)Br"]
["54508352","CC1(F)C(F)(F)C(F)(F)C(C)(F)C(F)(F)C1(F)F"]
["43927694","ClC(Cl)(Cl)P(Cl)(Cl)(c1ccccc1)C(Cl)(Cl)Cl"]
["91552181","COC1(OC)OC(OC)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1"]
["42748092","CC(O)c1ccccc1.O=C([O-])c1ccccc1.[K+]"]
["178201805","C1=CC2=C3C=CC(=[NH+]3)C=c3ccc4n3P[NH+]2C1=CC1=[NH+]C=4C=C1"]
["101971704","C1=NC=CC(=c2ccc3n2[CH]C=CC=3)N=1"]
["65506813","CC=C1C2C=C(C)CC1(N=C(O)OC(C)(C)C)c1ccc(O)nc1C2"]
["182166300","CC(C)(C)OC(=O)C1(Cl)C=CC(n2ccc(OCC(C)(C)C(F)(F)F)n2)=NC1"]
["174666162","C1=CC2=[NH+]C1=Cc1ccc3n1Cn1c(ccc1=C2c1ccccc1)=CC1=[NH+]C(=C3c2ccccc2)C=C1"]
["194272397","C1=CC2=[N+]3C1=CC1=C4C(=Cc5ccc6n5C43n3c(ccc3=C6)=C2)C=N1.C1=CC2=[N+]3C1=CC1=C4C(=Cc5ccc6n5C43n3c(ccc3=C6)=C2)C=[NH+]1"]
["161821777","CC=C1c2ccc(C=O)n2C=CN1C=O"]
["182604745","CC(C)(C)COc1ccn(C2=NCC(Cl)(C(=O)OC(C)(C)C)C=C2)n1"]
["99765235","[B+]=C(O)N=C1C=Cc2c(/c(=C\\C)[c-]3cc(N=C(O)OC(C)(C)C)ccc23)=C1"]
["79475394","O=C(O)CCc1cc(F)c2n1Bn1c(ccc1=C1C=CC=[NH+]1)=C2"]
["62149079","CC1(C)CC(=O)C=C(Nc2cccc(Br)c2N)C1"]
["29231698","C/C=C1\\C2C=C(C)CC1(N=C(O)OC(C)(C)C)c1ccc(O)nc1C2"]
["46144601","c1n[nH+]c[pH]1"]
["183535080","[2H]C([2H])([2H])n1nc[nH+]n1"]
["161681395","Pc1nnc[pH]1"]
["190687267","c1c[nH+]cc[nH+]1.c1cc[nH+]nc1.c1cn[nH]c1"]
["57551030","c1ccc(-[n+]2c[pH]cn2)cc1"]
["56873215","Cn1cn[nH+]c1"]
["175848683","[Na+].c1cc[pH]c1"]
["78761434","[Zr].c1cc[pH]c1"]
["173598724","FC(F)(F)c1cc[nH+]nc1"]
["173049041","Oc1nnc[nH+]n1"]
["173008855","Fc1ccc[nH+]n1"]
["190229445","N.c1cnn[nH+]c1"]
["96755274","C1=PC=c2c1c1c(c3c2=C[P]C=3)=CP=C1"]
["168189707","Cc1cccc(C(=N)N)c1S.Cl"]
["46272019","c1cc2ccc3c(c2cn1)NCN3"]
["167399205","CC(=O)C1=C(C)C(C)=C[P]1.CC1=C[P]C=C1C.[Fe]"]
["168189708","Cc1cccc(C(=N)N)c1S"]
["74519025","Cl.N[C]1N=C=CS1"]
["32707031","CC1=C[P]C(C(=O)O)=C1C.CC1=C[P]C=C1C.[Fe+2]"]
["34239575","CC1=C(C)C(=C[O])P=C1.CC1=C[P]C=C1C.[Fe+2]"]
["167257579","CC1=C[P]C(C(C)(C)O)=C1C.CC1=C[P]C=C1C.[Fe]"]
["183904503","CC1C(C#N)=C[N-]C1=C(C#N)C#N"]
["167257565","CC1=C[P]C(C(C)O)=C1C.CC1=C[P]C=C1C.[Fe]"]
["87758578","Cl.N=C(N)c1ccc2cccc(Br)c2n1"]
["168496442","[S+]#[Si]/C=C/[Se-]"]
["79731334","CCCCC[Si](CCCCC)(CCCCC)OC=O"]
["96926739","CC[Si](CC)(CC)O/C=C/C(C)(C)C"]
["170521015","C[Si](C)(C)[Si](C=CC=C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C"]
["179928087","OP(O)N=CS"]
["171751882","N/C=C/[Si]O"]
["78642074","CC(C)(C)P.C[Si](C)(C)P([Si](C)(C)C)[Si](C)(C)C.P"]
["176393169","C[Si](C)(C)P(CP([Si](C)(C)C)[Si](C)(C)C)CP([Si](C)(C)C)[Si](C)(C)C"]
["184953392","CC(C)(C)[N+](C)(C(C)(C)C)C(C)(C)C.[Br-]"]
["110868075","CP(C)[CH][Si](C)(C)O"]
["91249219","CC[Si](CC)(CC)OC=CC(C)(C)C"]
["168497019","[B+]=C[Se-]"]
["164566208","C1=C[C-]=C2[C-]=C[C-]=C[C-]2C=1"]
["79788772","FC(F)(F)O[C]1C=C=C[C-]=C1Br.[Na+]"]
["61054038","CC1C=C=C[C-]=C1C1CC1.[Y]"]
["175959514","CC.CCC1=[C-]C=C=CC1.[K+]"]
["79746995","C1=C[C-]=C(CC2=[C-]C=[C+]C=[C-]2)CC=1.[Li+].[Li+]"]
["174278478","CC1C=C=C[C-]=C1Br.[Re]"]
["25650977","BrC1=C=C[C-]=C(Br)[C+]1Br"]
["171100436","C1=C[C-]=N[CH-]N=1.[Re].[Re]"]
["195844856","O=CC1=[C-]C=C=CC1.[CH3-].[Fm]"]
["178073362","CC(C)C1=[C-]C=C=CC1.[Na+]"]
["177136959","FC(F)(Br)C1=[C-]C=C=CC1.[Y]"]
["171122688","FC(F)(F)C(F)(F)OC1=[C-]C=C=CC1.[Cl-].[Mg+2]"]
["62052231","FC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)[Si](Cl)(Cl)Cl"]
["175529304","C=CCOS(=O)(=O)CC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F"]
["177439487","C[n+]1ccn(C(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)c1"]
["177695669","O=C(O)C(F)C(F)C(F)C(F)C(F)C(F)C(F)(F)F"]
["147743450","CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(C)Cl"]
["101766050","[O]C(F)C(F)(F)C(F)(F)C(F)(F)F"]
["175058631","O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F"]
["78537903","C=CCC(F)(OC(F)(CC=C)C(F)(F)C(F)(F)C(F)C(F)F)C(F)(F)C(F)(F)C(F)C(F)F"]
["161722645","F[C-](F)C(F)(F)C(F)(F)C(F)F.[Fe]"]
["79863162","FC(F)C(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F"]
["181470956","C[Si](F)(F)C([Si](F)(F)F)[Si](Cl)(Cl)Cl"]
["169926185","FC(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)C(F)(F)CI"]
["45814287","[CH]=c1ccc2c(c1)SC(C[CH-])=[N+]=2"]
["163360922","N#CCCc1cc(C(F)(F)F)ccc1O"]
["88427164","CNCc1cccn1Cc1ccc(F)c(F)c1"]
["89412061","Cc1ccc2c(c1)C(N)(CO)CCS2"]
["178868583","C=C1Sc2ccc(C)cc2CC1CC"]
["175092157","C#Cc1ccc2c(c1)C(C)(C#N)CCS2"]
["185541327","N#CCCN1c2ccccc2Sc2ccc(Br)cc21"]
["107688900","Cc1ccc2c(c1)C[C@](O)(CN)CCS2"]
["185090120","CCCCOCC(C)(c1ccc2c(c1)S2)c1ccc2c(c1)S2"]
["163062988","N#CCC1CCSc2ccc(CC=O)cc21"]
["46397776","CCCC[Si](CCCC)(CCCC)CCCc1cc(C(C)(C)c2ccc(O)c(CCC[Si](CCCC)(CCCC)CCCC)c2)ccc1O"]
["168599631","N#Cc1cc(-c2ccc(O)c(Cl)c2)on1"]
["50813900","S=[As]S[As]=S.[Se]=[As][Se][As]=[Se]"]
["55717092","S=C=S=S"]
["24848764","CN(C)SN[C]=S"]
["197705939","S=C=S=S=S=S"]
["185428247","[NH3+]SP=S"]
["101675951","S=[As]S"]
["57641241","[CH2+]C(C)(C)N=C=S"]
["79420210","[Se]=[As][Te]"]
["26406565","NSN[C]=S"]
["47564299","S=C=[Se]"]
["96705441","[N]=C=C=C=S"]
["82267784","S=[Se]=[Se]"]
["74824779","O=S(=O)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)N(F)C(F)(F)C1(F)C(F)(F)C(F)(F)S(=O)(=O)F"]
["79752145","O=C(O)C(F)(F)C(F)F.O=S(=O)(O)F"]
["75574259","FC(F)=C(F)C(F)(F)N1C(F)(F)C(F)(F)N(F)C(F)(F)C1(F)C(F)(F)C(F)=C(F)F"]
["58202787","CC1(C)OB(c2ccc(NS(C)(=O)=O)cc2C(F)(F)F)OC1(C)C"]
["197588993","O=S(=O)(F)CC(F)(F)CC1CC1"]
["195322085","O=S(=O)(F)C(F)(F)COC1CC1"]
["48497912","O=S(=O)(O)c1ccc(C(F)(F)F)cc1O"]
["43227751","N#CC(OCS(=O)(=O)C(F)(F)F)c1ccccc1"]
["46405374","CCS(=O)(=O)N1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1"]
["64957539","O=C(O)CN(C(F)(F)C(F)(F)F)S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["109957679","O=S(=O)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)C(F)(F)F"]
["80558736","O=C1N(Cc2cccnc2)C([O-])=NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F"]
["172688263","C1CSN(C2=C(C3CCSN3)C(C3CNSC3)=NS2(C2CSCN2)C2CNCS2)C1"]
["195312512","C[Si](C)(C)N1CCCS1"]
["45577614","Cl.Cl.O=C([C@@H]1C[C@H](N2CCC(c3coc4cc(Cl)ccc34)CC2)CN1)N1CCSC1"]
["144716200","CC1CCn2c(cnc2C2CCSC2)C1"]
["89630793","Cn1c(C2CCCC2)cnc1C1CCNC1"]
["159740524","CN1CCN(C(=O)C2CCCS2)c2cccnc21"]
["115004025","CC(C)C1NCCn2c(-c3cccc(O)n3)nnc21"]
["107658909","Cc1csc2nc([C@H]3CCCN3)cn12"]
["42532351","CN=C(O)C1CNCCN1C(=O)C1CCCS1"]
["158180969","O=C([C@H]1CCCN(C(=O)[C@@H]2CSCN2)C1)N1CCCC1"]
["MCULE-1148827021","O=C1N=C(O)CCC1N1Cc2c(N=C(O)C3CSCN3)cccc2C1=O"]
["160051988","O=C(C1CCCCS1)N1CCCSCC1"]
["161721676","[Si-]#[Te+]1C=CC=C1"]
["63340773","C1=C\\C=C/C=C\\C=C/1.C1=C\\C=C/C=C\\C=C/1.[Ti+2]"]
["97052158","[N-]=C1C=CC=CC1=N"]
["161934977","C.C1=C\\C=C/C=C\\C=C/1"]
["165780390","O=C(O)C(=O)O.[N-]=C1C=CC=CC1=[N-].[Pt+2]"]
["79500550","C1=CC=CC=CC=C1.C1=CC=CC=CC=C1.[Ni]"]
["45012932","[N-]=C1C=CC=CC1=[N-].[U+2]"]
["78114852","C1=C\\C=C/C=C\\C=C/1.[Yb]"]
["167175422","C1=C\\C=C/C=C\\C=C/1.C1=C\\C=C/C=C\\C=C/1.[U]"]
["194122882","C1=CC=CC=CC=C1.[Zr].c1ccccc1"]
["180230503","CNC1C=CC=CC1Cl"]
["73958425","C1=CC=IC=C1"]
["74248114","IC(I)=CC(I)N1NC=NN1"]
["78121460","CCCC[C@@H](C)C[C@@H](C=C(I)O[SiH](C)C)C(C)(C)C"]
["159092360","CC(C)=C[C@@H](O)[C@H]1CNCCS1"]
["119229603","CC(C)CC1NCCn2c(C(=O)O)ccc21"]
["148960706","Cc1ccc([C@@H](O)[C@H](C)S(N)(=O)=O)nn1"]
["171298803","Cl.Cl.N#Cc1cc(F)c(O)c([C@H](C(F)F)N2CCNCC2)c1"]
["119230056","NC(C1=NNN2CCCN=C12)c1cnco1"]
["198017903","N=c1cc(C(O)=N[C@@H]2CCC[C@H](N=C(O)/C=C/C=C(Cl)Cl)C2)nc(Cl)[nH]1"]
["162457363","Cn1cc(C(O)c2csc(I)c2)nn1"]
["55532936","CN1C=NN(c2ccc(O)cc2)N1"]
["MCULE-1416563277","N=c1cc[nH]cc1-n1ccc(C(F)F)n1"]
["180424190","C=C/C(=C(\\CC)c1[nH+]ccn1C)C(C)I"]
["100268140","[C-]#[N+]/N=C1\\SC2=C(C)C(=NC=N)SC2=C1C"]
["174280057","C#[N+]/C=C\\C(=C/C)c1ccc(C)s1"]
["168539381","CC1=CC(=S)C(=NC=N)C=C1"]
["183746129","CC1=C(C)C(N=[N+]=[N-])C(C=[Ge](C)C)=C1C"]
["75534469","CNC1C(=O)N(C/C=C/C=N\\C=N)CCCC1(C)C"]
["168401322","CCOC(=O)[N+](=NC=N)n1c(O)nc(O)nc1=O"]
["175079162","Cc1ccc(N=C(O)/C=C\\C=N)s1"]
["176479064","C[C-]=CN=[C-]C([NH-])=NC=N.[Li+]"]
["187763787","Cc1nc(C=N)sc1C"]
["187051334","[C-]#[N+]c1sc(Br)nc1OC"]
["168180080","Cc1csc(C(C=N)=CN=C2N=NN=N2)n1"]
["179338280","CC(=NC=N)c1[nH]c(C)cc1C"]
["32831640","Cl[C]1C(Cl)=C(Cl)C(=C=C2C(Cl)=C(Cl)[C-](Cl)C(Cl)=C2Cl)C(Cl)=C1Cl.[K+]"]
["111914373","CCN(CC(C)C#N)c1c(N)cc(N)c(Cl)c1F"]
["161702624","ClC1=C=C[C-](Cl)[Se]1.[Li+]"]
["172707157","ClC1=C=N[C-](Cl)C(Cl)=C1Cl.[Ti]"]
["96069805","N=C(O)CNCc1cccc(Cl)c1O"]
["74387984","C=C1C(Cl)=C(Cl)[C](Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c21"]
["84026938","C=C1C(Cl)=C(Cl)[C](Cl)C(Cl)=C1Cl.[Br-].[Hg+]"]
["168431009","C[N+](C)(C)/N=C1/N=C(Cl)C(=C=N)C(Cl)=C1Cl"]
["23170476","FC1=CC=C=C(Cl)[CH]1.[I-].[Zn+]"]
["73771685","Cl[C]1C(Cl)=C(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c21"]
["170297471","N=C(O)CN(Cc1ccccc1)c1ccc(Cl)nn1"]
["91189259","Cl[C]1C(Cl)=C(Cl)C(Cl)=C1Cl.Cl[C]1C(Cl)=C(Cl)C(Cl)=C1Cl.[Hg]"]
["150441549","NC1=C=C(N)[C+]2C=C1Nc1cc(c(N)cc1N)NC1=C[C+](N[C+]3C=C(N2)C(N)=C=C3N)C(N)=C=C1N"]
["145078337","Nc1oncc1-c1cc2c(cc1Br)OC1(CCCC1)O2"]
["163154460","Nc1cnc2s[nH]cc1-2"]
["54181143","CC1=C(N)Nc2cc(C)c(C)cc2O1"]
["187403015","CC1(C)CC(=O)Nc2cc(F)c(N)cc21"]
["96981772","Nc1cc(N)c2cc1Nc1cc(c([N+](=O)O)cc1[N+](=O)O)Nc1cc(c(N)cc1N)Nc1cc(c([N+](=O)O)cc1[N+](=O)O)N2"]
["163073838","CCN(CC)c1[nH]c(C)cc1N"]
["174223556","Nc1ccc2c(c1)NSC2"]
["44928636","O=C1Nc2cc(Cl)c(Cl)cc2C(=O)C1=CO"]
["82576458","Nc1cccc(Sc2ccc3c(c2)C2C=CN=C2C(=O)N3)c1"]
["81736781","Nc1cc2c(cc1SC1N=C(O)CC(N)N1)CCC(=O)N2"]
["91677641","CCSc1cc2c(cc1N)NC(=O)C(c1ccccc1)O2"]
["195668994","CC1=PC(=PP[P+](C)=N)C(P)C1=N"]
["43900928","Cc1nc2c(=N)[nH][nH]c2c(=N)[nH]1"]
["167253289","C[C]1P=C(C)C(C)=C1C.C[C]1P=C(C)C(C)=C1C.[Yb]"]
["42065283","Cc1ccc2c(c1)[nH]c(=N)n2CCC1CC1"]
["195295456","Cc1ccc2c(c1C)=C=C[C-](N=O)C=2.[U+3]"]
["99005264","COC1CCC2(C=C(c3cc(C)ccc3C)C(O)=N2)CC1"]
["184499067","CC(=O)N(C1=C=CC(=[N+]2[C-]=C(C)[N-]C2)C=[C-]1)C(C)C.Cc1ccc(=N)[n-]c1.[U+3]"]
["173905628","[B+]=C1[CH-]C(C(C)C)=C=C(C)C1P"]
["46084246","Cc1ccc2c(c1)[nH]c(=N)n2CC1CCOC1"]
["120184439","Cc1ccc(N(C)C2CCOCC2)c(C#N)c1"]
["173783362","[B+]=C1[C-]2C(=C(C)C3=C=CC(CC)c4c(C)cc(C)cc4C(=N)C13)C(C)(C)C(C)(C)C2(C)C"]
["178446207","CC1C2=CC3CCC31C2=N"]
["168495870","CC(C)=NP(N=[Si]=N[P+](N=C(C)C)(N=C(C)C)N=C(C)C)(N=C(C)C)=N[C-](C)C"]
["96977719","OC(=N[C@H](Cc1ccccn1)c1ccccn1)c1ccccn1"]
["195755636","C[I+]C1CCC(O[I+]O[C-]2[CH-][CH-][C-](O[I+]O)[CH-][CH-]2)CC1"]
["79599027","CCOP(=O)(OCC)C(c1ccc(C[C@H](N=C(C)O)C(O)=N[C@@H](C)c2ccc(OCC3CCCCC3)c(C(=N)O)c2)cc1)P(=O)(OCC)OCC"]
["4206655","CCOCCOc1ccc(C[C@H](N=C(C)[O-])C(=O)O)cc1"]
["25996767","CC(=O)SCC(C)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O"]
["MCULE-3951605591","CC(O)=NC(Cc1ccc(O)cc1)C(O)=NCCCS(=O)(=O)O"]
["123669402","COC1(C)CC(N(C)C(O)=NCc2ccnc(OCC(F)F)c2)C1(C)C"]
["67112412","CC(O)=N[C@H](NC(=N)C(C)C)C(Cl)(Cl)Cl"]
["188312322","CC(C)=NC(C)[C@]1(C)CC1C(C)C"]
["184129549","CC(O)=N[C@@H]([C@@H](O)[C@H](N=C(C)O)[C@@H](C)O)[C@H](O)C=C(O)C(=O)O"]
["175439131","CC.CC.CN=C(O)C(Cc1ccc(O)cc1)N=C(C)O"]
["69491796","[1CH3][1CH2][1CH2][1CH2][1CH2][1CH2][1CH]([1CH3])[1c]1[1cH][1cH][1cH][1c](-[1c]2[1cH][1cH][1cH][1cH][1n]2)[1cH]1"]
["76239705","[1CH2]=[1CH][1CH]([1CH2][1CH2][1CH2][1CH]([1OH])[1CH2][1C](=[1O])[1c]1[1cH][1cH][1cH][1cH][1c]1Br)[1O][1C]([1CH3])=[1O]"]
["76239992","[1CH3][1CH2][1CH2][1O][1CH]([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1CH]([1CH3])[1C]1=[1C]([1OH])[1C]2([1CH2][1CH2][1CH2][1CH2][1CH2]2)[1O][1C]1=[1O]"]
["76239880","[1CH3][1CH2][1CH2][1CH2][1CH2][1CH2][1C]1=[1CH]/[1C](=[1CH]\\[1c]2[1cH][1cH][1c]([1F])[1cH][1cH]2)[1C](=[1O])[1O]1"]
["76239804","[1CH3][1O][1c]1[1cH][1c]([1C]([1OH])=[1N][1c]2[1n][1cH][1cH][1cH][1c]2Br)[1cH][1c]([1O][1CH3])[1c]1[1O][1CH3]"]
["76239849","[1CH3][1CH2][1CH2][1CH2][1NH][1c]1[1cH][1c]2[1cH][1cH][1c]([1CH3])[1n][1c]2[1c]2[1n][1c]([1CH3])[1cH][1cH][1c]12"]
["69492088","[1CH3][1CH2][1CH2][1CH2][1CH2][1CH2]/[1CH]=[1CH]/[1CH2][1C]([1OH])=[1N][1C@@H]([1CH2][1c]1[1cH][1cH][1cH][1cH][1cH]1)[1C@H]([1OH])[1CH2][1C]([1OH])=[1N][1C@H]([1C]([1OH])=[1N][1C@H]1/[1CH]=[1CH]\\[1C]([1OH])=[1N][1C@H]([1CH]([1CH3])[1CH3])[1C](=[1O])[1N]([1CH3])[1C@H]([1CH2][1c]2[1cH][1cH][1c]([1OH])[1cH][1cH]2)[1C](=[1O])[1O][1CH2]1)[1CH]([1CH3])[1CH3]"]
["76239746","[1OH][1CH]([1C]#[1C][1CH2][1O]/[1N]=[1CH]/[1c]1[1cH][1cH][1cH][1cH][1cH]1)[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239958","[1cH]1[1cH][1cH][1c](-[1c]2[1cH][1c]([1O][1CH]3[1CH2][1CH2][1NH][1CH2][1CH2]3)[1cH][1c](-[1c]3[1cH][1cH][1cH][1cH][1n]3)[1n]2)[1n][1cH]1"]
["76239903","[1NH2][1CH2][1CH2][1CH2][1CH2][1CH2][1O][1c]1[1cH][1c](-[1c]2[1cH][1cH][1cH][1cH][1n]2)[1n][1c](-[1c]2[1cH][1cH][1cH][1cH][1n]2)[1cH]1"]
["76240000","[1CH2]=[1C]([1CH3])[1CH2][1CH]1[1CH]=[1C]([1c]2[1cH][1cH][1cH][1cH][1cH]2)[1O][1c]2[1cH][1cH][1cH][1cH][1c]21"]
["76239815","[1CH3][1O][1CH]([1C]#[1C][1CH2][1O]/[1N]=[1CH]/[1c]1[1cH][1cH][1cH][1cH][1cH]1)[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["173972352","[B+]C1NC([B+])C(c2ccc(-n3cc4[cH-][cH-]cc(C(=N)O)[c-]-4[n-]3)cc2)C([B+])C1[B+]"]
["53385179","N=C(O)c1cnn2ccc(N3C[C@@H](F)C[C@H]3c3cc(N)cc(F)c3)cc12"]
["184316955","CC(O)=NCN1CC(c2ccc(N3CCNCC3)cc2)C(=O)O1"]
["49243293","Cn1cc(C(O)=NN=C(O)C2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2ccccc21"]
["74406744","CN1CCc2[c]cccc2C1C(=N)O"]
["46693571","N=C(O)[C@@H]1COC(=O)N1c1ccc(C2CCS(=O)CC2)cc1"]
["176105997","Cn1cc(C2Cn3nccc3C(F)(Cn3cc(C(=N)O)nn3)C2)cn1.O=C(O)C(F)(F)F"]
["194598306","[2H]C1([2H])CCC([2H])([2H])C1[C@@H](CC(=N)O)n1cc(-c2nc[nH]c3nccc2-3)cn1"]
["126631727","N#Cc1cccnc1-n1cc(N=C(O)c2cccc3[nH]ccc23)cn1"]
["12441116","Cc1cccc(C(O)=N[C@H](C)c2ccc(-n3cncn3)cc2)c1[N+](=O)[O-]"]
["77865409","N=C(O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12.O=S(=O)(O)O"]
["168416463","CN(C(O)=Nc1cnn(-c2ccccc2Br)c1)C1CC(C(=N)O)C1"]
["100224371","C1CC2NC1NC1CCC(N1)Nn1[nH][nH]n([nH]1)NC1CCC(N2)N1"]
["156642050","C[C@H]1N[C@H](C)N(C2CC2)C1=O"]
["105483264","C[C@H]1CCN(C2CCCCCC2)CC[C@H](C)N1"]
["54522722","CC(C)C1(O)CC2CCC1N2"]
["174083626","CN1CC2CC(F)C[C@H](C1)N2"]
["92151319","O=C(C1CCNC1)N1CCC(CCO)C1"]
["75661227","[C]1=NSC(C2C=CCNO2)CC1"]
["156416763","C[C@@H]1CN(C#N)C[C@@H](C)N1"]
["156642047","C[C@@H]1N[C@H](C)C(=O)N1C1CC1"]
["154776697","CC=C1CC2CCC(C1)N2.Cl"]
["177868828","OC1N[C@@H]2CC[C@@H](Cl)N1C2"]
["179707011","OCC1CCCC2CN(O)CCN12"]
["179457324","[CH-]=c1c(I=C)nn([CH2+])c1=[CH-].[U]"]
["48300586","[C-]#[N+]C1=[N+]=NC(=[CH-])C=C1"]
["178813988","C=IC(F)(F)C1=NN(C)C(=C)S1"]
["89006031","C=C(C)Cn1nc(CO)cc1-c1c(C)cc(C)cc1C"]
["176584111","NN=C(O)c1nn(P)cc(O)c1=O"]
["180451624","C=Ic1nc(I)c(C(C)(C)C)o1"]
["195329090","C=IC1=NCCS1"]
["180375735","C=CN1C(=C)N(C(C)C)C(I=C)=C(C)C1=O"]
["174823759","CC.Cn1[nH]cnc1=O"]
["179741526","C=Ic1nc2c3ccc(-c4ccc5c(ccn6c(I=C)c(I=C)nc56)c4)cc3ccn2c1I=C"]
["184209282","C=Ic1ccc(CBr)nc1"]
["178233487","C=S(C)n1nnc(C(C)(C)C)n1"]
["97376585","Ic1ccc([B-]2(c3ccc([I+])cc3)[Se]c3cccc4ccc[n+]2c34)cc1"]
["22908714","Cc1ccc(S(=O)(=O)[O-])cc1.Cc1cccc2ccc[n+](C)c12"]
["86941398","Cc1ccc2ccccc2c1C(=O)c1ccc(I)cc1"]
["172833731","c1ccc2c(CC(OOB(OOC(Cc3cccc4ccccc34)(c3cccc4ccccc34)c3cccc4ccccc34)OOC(Cc3cccc4ccccc34)(c3cccc4ccccc34)c3cccc4ccccc34)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1"]
["166896753","O=CC(C=O)c1ccc(I)cc1"]
["100948006","c1ccc(-c2cc(-c3ccccc3)c3ccc[n+]4c3c2[O+][B-]4(c2ccccc2)c2ccccc2)cc1"]
["MCULE-6575931680","Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(I)cc3)nc(C(C)(C)C)n2)c1"]
["51197194","Pc1ccc(-c2ccc(I)cc2)cc1"]
["175284799","CC(OS(=O)[O-])c1ccc(I)cc1"]
["96644766","CC(=N\\c1ccc(I)cc1)/C(C)=N/c1ccc(I)cc1"]
["74554660","C#Cc1ccc(-c2ccc(I)cc2)cc1"]
["46739840","CC(=Cc1ccc(I)cc1)CCl"]
["171870228","O=C1CC2(O)CC(=O)OC3(OC2=O)C(CN2OC(=O)CC4(O)CC(=O)OC23OC4=O)O1"]
["194984126","COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)[C@@]4(O)[C@@H]6C[C@H](C)[C@H](O)[C@@]4(O5)C(=O)O6)c(O)c3C(O)=C1C(=O)C[C@H](C)[C@H]2O"]
["61682649","CC1=C2CC[C@@H](C)[C@@]3(CCC(=O)O3)[C@@](C)(O)[C@@H]2OC1=O"]
["149881756","CC1CN2c3c(cc4c(N5CC(C#N)OC5=O)noc4c3F)CC3(C(O)=NC(=O)N=C3O)C2C(C)O1"]
["76679350","CC1(C)OC(N2CC(F)C(O)=NC2=O)C(O)C1O"]
["29602614","Cc1nsc2c(F)c3c(cc12)CC1(C(O)=NC(=O)N=C1O)[C@@H]1[C@@H](C)O[C@@H](C)CN31"]
["58389396","COC1(C)CC(O[C@H]2[C@H](C)[C@@H](OC3OC(C)CC(N(C)C)C3O)[C@@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](C)OC(=O)[C@@H]2C)OC(C)C1O"]
["45082312","CC(=O)c1ccc(NC(=O)C2(C)Cc3cc(F)ccc3C(=O)O2)cc1"]
["163928056","CC1(C)CC(=O)O[C@H](Br)[C@H]1Br"]
["76977001","CC1CN(C2CC(O)([Si](C)(C)C(C)(C)C)C(CO)(C(O)[Si](C)(C)C(C)(C)C)O2)C(=O)N=C1O"]
["33790668","C[C@@H]1C(=O)O[C@H]2[C@@H]1O[C@]13O[C@@]4(CC[C@]5(C)C(=O)[C@H](C)[C@H]2[C@H]15)C[C@]12OC(=O)C[C@@]1(O)OC(C)(C)[C@@H]2C[C@H](O)[C@H]4C3=O"]
["21088925","CC1(C)OC(=O)C2(Cc3ccccc3N3CCN(c4cccc[nH+]4)C[C@H]32)C(=O)O1"]
["101155326","C1=CNC(PC2NC=C[NH2+]2)N1"]
["25744940","Nc1c[n+](N)[o+][nH]1"]
["58225781","ClC1NC=CO1"]
["170073211","CC1=CC(CC=N)NC=C1"]
["178372725","CC(O)=NCCC1C=CC=CN1"]
["96959785","[C](C1NC=CN1)C1NC=CN1"]
["175432145","CC.CCC1NC=CN1"]
["110973481","O=[N+]1C=CNC2C=CN=CC21"]
["167604982","C=C(C)NC[C@H]1C=CCC=CN1"]
["46781182","FC(F)(F)C1NC=CN1"]
["52167543","C(#CC1NC=CN1)C1NC=CN1"]
["185878082","CCC1C=C(O)C=CN1"]
["184484911","C(CN1CSCSC1)OCCN1CS[I-]SC1"]
["69727108","Cc1cc2n[nH]c(C=Cc3cccc(CN4CCN(CCOCCO)CC4)c3)c2cc1NC(=O)Cc1cccs1"]
["86191950","CC(C)CCOCCN1CCCC(CBr)C1"]
["113351193","CCCOCCN1CC(CN)OC(C)(C)C1"]
["97464193","Cc1csc(=S)n1CCOCCOCCn1c(C)csc1=S"]
["68892765","CCCCOCCN1CC(=O)N=C(O)C1"]
["75536878","COCCOCCOCCN1COCCOCCOCCOCCO1"]
["43820418","CNC1CCN(CCOCCOC)CC1"]
["158135844","C=C(COCCN1CCCC1)B1OC(C)(C)C(C)(C)O1"]
["101253518","OCCN1CSCCCCSCN(CCO)CSCCCCSC1"]
["111843821","NCCOCCn1cnc2ccsc2c1=O"]
["172252106","COCCN1CCC(CCCN2CCN(C)CC2)CC1"]
["150260084","C=[SiH]N1B(N)N([SiH2]C)B(N)N(B2N([SiH2]C)B(N)N([SiH2]C)B(N)N2[SiH2]C)B1N"]
["63074339","CCB1N(CC)B(C)N(CC)B(CC)N1[SiH2]C"]
["77372598","CC1=CC(CN(C)CC2(O)CCCN(Cc3ccc(F)cc3)C2=O)=N[NH2+]1"]
["98534729","C=CC1=NCc2cccc(C)c2N1C"]
["2851607","CC1=CC(CN(C)C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)=N[NH2+]1"]
["20669752","COc1ccc2c(c1)C(=[NH+]N1CCN(C)CC1)C=C(C)[NH2+]2"]
["173168824","COC1=CC(C)=CC(OC)=C(C)C1"]
["44235898","CC(C)C(C)B1N(C(C)C(C)C)B(C(C)C(C)C)N(C(C)C(C)C)B(C(C)C(C)C)N1C(C)C(C)C"]
["159386783","CC1=CC2=C(C)CSC2=C1.CC1=CC2=C(C)CSC2=C1.C[SiH2]C"]
["169808421","CC1=C(F)[C@H]2CC[C@@H](C1)N2C"]
["80749830","C=CCC1C=C(C)CC(CC=C)N1CC1=N[NH2+]C(C)=C1"]
["195836233","C=C(N)NC1CC(C)=C(S(=O)(=O)O)C=C1S(=O)(=O)O"]
["96935230","CC(C)(C)CN=[P](NCC(C)(C)C)NNCC(C)(C)C"]
["47266666","CC(C)(C)OC(O)=NCc1ccc(Cl)cc1CN=C(O)CNC1CC1"]
["93541087","CC(C)(C)CNCCc1ccc(Br)s1.Cl"]
["92705754","COc1cc(Cl)ccc1CNCC(C)(C)C.Cl"]
["85140437","CCNCC(C)(C)COC1CC(C)CC(C)C1"]
["171697974","CNCC(C)(C)[S-](=S)=S"]
["65507521","CC(C)(C)CNC1CCCCCC1"]
["54806425","CC1CC(C)CC(NC(C)(C)CC(C)(C)C)C1"]
["117506719","CN1CCN(C(O)=NCC(C)(C)C)CC1=O"]
["93060044","CC(NCC(C)(C)C)C(O)=NCC(F)(F)F"]
["114048587","CC(C)(C)CC(Cl)CNCC(F)(F)F"]
["105037850","C[C@@H]1[C@H](C)CCC[C@H]1NCC(C)(C)C"]
["78515227","CBBB1BB(BC)BB(BBC)BB(BC)B1"]
["161246628","CBBBC(C)C"]
["78099667","CBOCCC"]
["78413380","CBBI"]
["161234167","CBB1Oc2ccccc2O1"]
["144584381","CB1BB(C)OB(C)O1"]
["170437917","CBBBP"]
["162347238","CBP1(=O)BC1"]
["78588915","CBBOC"]
["148807725","CBBBBOI"]
["78454379","CBBBC"]
["150608371","CC(C)B1BB(C(C)C)B1"]
["43192962","Cp1p(C)p2p(C)p(C)p(C)p2p1C"]
["76999423","CP1CP(C)P(C)P1C"]
["91381304","Cp1p(C)p([Si](C)(C)C)p([Si](C)(C)C)p1C"]
["97798226","CP1C=P(C)=C1"]
["75145573","CP1CC(C)(C)P1C"]
["164523000","CP1SC1(C)C"]
["97085522","CN1P(C)N(C)P1C"]
["99067728","C[BH2-][CH+]CC"]
["190801174","CP1OP(C)OP(C)O1"]
["91124321","CP1[Si](C)(C)P(C)[Si]1(C)C"]
["50439919","[B]=CN(C)C=[B]"]
["161792152","CP1CCO1"]
["185436839","P1SSSPSSS1"]
["90939788","CC1(C)SSSSSS1"]
["173091808","P1PSSSS1"]
["91125784","CC1SSSC1C"]
["79121811","P1SSSSS1"]
["172821974","C1SPS1"]
["78641614","O=[SH]1(F)PS1"]
["26970872","C1PSS1"]
["78637960","S=S1(=S)PSP1"]
["158936576","NP1PSS1"]
["182333182","OP1PSS1"]
["44622188","P1SSP1SSP1PSS1"]
["169893370","CC(C)c1c[n+](C)nn1CC(C)c1nnc(CCC(C)c2nncn2C)n1C"]
["134088152","CC(CC(O)=NCCCc1nc2ccccc2n1C)c1cccc(F)c1"]
["160298984","CC(C)c1nnc(CN=C(O)CCC2CCCCN2C)n1C"]
["137238139","OC(CSc1nncn1-c1cccc(Cl)c1)=Nc1cccc(C(F)F)c1"]
["56821370","Cn1cnnc1SCC(O)C=S"]
["127467442","CCCN(CC(O)=NC)C(=O)c1cn(CCC(C)C)nn1"]
["48000545","CC(OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(O)=NC(O)=NCc1ccccc1"]
["139141143","CC(C)n1cnnc1C1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1"]
["137310460","Cc1ccc(-c2noc(=NC3CCc4nnc(C(C)C)n4C3)[nH]2)cc1"]
["125790485","CC(C)n1cnnc1CN=C(O)CNC(O)=NCc1ccc(Cl)cc1"]
["138096668","CC(C)n1cnnc1CNC(=O)c1nn(-c2ccccc2)cc1O"]
["100614858","CC(N=C(O)Cc1ccc(F)cc1F)c1nncn1C"]
["74091278","[O-][n+]1cc2[nH]c[n+]([O-])c2[n+]([O-])c1"]
["200539972","CNCC#Cc1c[n+]([O-])ccc1[N+](=O)[O-]"]
["187100104","Cc1[nH]n(C)c(=O)c1C(=O)c1ccc(Cl)c(COc2ccnn2C)c1Cl"]
["145293100","[O-][n+]1cc(Br)cc(OC2CC2)c1"]
["23814754","N=c1[nH]ccc[n+]1[O-].O=C(O)[C@H]1CC=CC[C@H]1C(=O)O"]
["74861643","Cc1cc(N)c(N)c[n+]1[O-]"]
["167245268","Cc1ccc([Se][Se]c2ccc(C)c[n+]2[O-])[n+]([O-])c1"]
["MCULE-1327394020","O=C(c1cc[n+]([O-])cc1)N1CCC(O)CC1"]
["165225356","CCCc1ccc[n+]([O-])c1S"]
["53422942","CC#Cc1ccc[n+]([O-])c1"]
["11660560","O=[N+]([O-])c1c[nH]c2c1ccc[n+]2[O-]"]
["170456107","O=S(=O)(O)Oc1ccc(C(c2ccc([O-])cc2)c2cccc[n+]2[O-])cc1.[Na+]"]
["51297790","CC(C)C(C)C(C1CCC1)C(C1CCC1)C(C(C)C(C1CCC1)C(C)C(C)C(C)(C(CC(C)C1CCC1)C1CCC1)C(C1CCC1)C(C)C(C)C)C(CC(C)(C)C(C1CCC1)C(C)C(C)C)C1CCC1"]
["100723289","C/C=C/[C@@H](C)C(=O)O[C@H](C(O)=N[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCC(Cl)(Cl)Cl)N1)C(C)C"]
["180579645","CCC(C)C[C@H](C)C1CCCC(CC)C1"]
["43770804","CC(CC(O)=NN=C(O)C1COc2ccccc2O1)C1CCCCC1"]
["120469293","CC(C)CC(C)(OC1CCC1)C(=O)O"]
["111032060","CC(C)C(C)(C)CNC1CCSC1"]
["162632904","CC(CC(=N)S)C1CCC1"]
["197304840","CC(CC(C)(C)C(O)C(=O)O)C1CC1"]
["57897033","Cc1ncsc1C(C)NCC1CCCC1CO"]
["153578435","Cc1cnc(N2CCCC2)[nH]c1=N[C@H](C)C(C)C"]
["61819752","CC1CCC(O)(Cc2ncnn2C(C)C)C(C)C1"]
["60948584","CC(=O)CC(C)C1CCC(C(C)(C)C)CC1"]
["183482541","CC1(C)N=[SiH][Si](=O)C(C)(C)C1(C)C"]
["198144147","CC1(n2cnc(C=O)c2)CC1"]
["46265329","CC1(C)CC(NS(=O)(=O)Cl)=N1"]
["25677415","CC1([O])COC1"]
["43290765","CC1(C)[C@]2(C(=O)O)C(=O)N=C(O)[C@]12C(=O)O"]
["157846248","CC[C@@](O)(C(=O)O)[C@H]1COCC1(C)C"]
["105140572","C[C@H]1CN(C(=O)C(C)(C)N)CC(C)(C)O1"]
["53203284","CC1(O)C(O)=NC(O)(C(=O)O)C1(C)C"]
["49597331","CCC1(C)N=C(O)C(C)(CC)N1C"]
["180202674","CC1(C)CCC2(C)CCC1(C)C(C)(C)C1(C)CCC2(C)CC1"]
["42873796","CC1(C)C(C)(C)C1(C)I"]
["158225009","CC1(C)C[C@@H](N=C(O)C2(C)COC2)C(C)(C)O1"]
["91284818","[Si]1=c2c3c(c4c(c2=1)=[Ge]=4)=[Si]=3"]
["66291959","O=C(CBr)N1CCC1=O"]
["26120922","O=C1N(Br)C(=O)C(F)(F)C1(F)F"]
["50076814","O=C1CCN(CCCBr)C1"]
["161679557","OB(O)C1=[Si]=C(B(O)O)C=C1"]
["149575760","FC1(F)[C]2C(F)(F)C21F"]
["46125499","C1=CC2=[Si]=C1C=C2"]
["182807073","NP1(=O)C(=O)CCN1CCCl"]
["162968089","O=NC1=CC(I)C(=O)N=C1"]
["53581877","O=C1C(Cl)C(=O)C(F)(F)C1(F)F"]
["96896546","FC1=[Si]=C(F)C=C1"]
["26438821","O=C1N(Cl)C(=O)C(F)(F)C1(F)F"]
["67335460","CN(C)/N=N/N=N/N=N/N=N\\C(S)=NC(=S)N(C)C"]
["153713821","CN(C)/N=N\\c1ccc(C(N)=O)cc1"]
["78168994","CN(C)C(=S)SSC(=S)N(C)C.[Te]"]
["23020694","CN(C)/N=N/c1ccc(S(=O)(=O)N=C([O-])C23CC4CC(CC(C4)C2)C3)cc1"]
["24381269","CN(C)CCN=C(S)N=C(O)C12CC3CC(CC(C3)C1)C2"]
["28886485","CN(C)C(=Nc1ccc(Cc2ccc(N=C(N(C)C)N(C)C)cc2)cc1)N(C)C"]
["25660896","CN=C(S)SSC(=S)N(C)C"]
["167269493","CN(C)C(=S)C(=O)C(=[Cl+])N(C)C"]
["78364854","C=CN(C)C(O)=NC(=S)N(C)C"]
["17329351","CC(C)CN=C(S)N(C)C"]
["90677341","COc1ccc(C(Cl)=NC(=S)N(C)C)cc1"]
["75885846","Cc1cc(C)c(O)c(COC(=S)N(C)C)c1.N=C(O)S"]
["193339140","C.C.CC1=C=C([N-]N=c2sccn2C)C=C=C1[N-]CCCCCc1ccc(N=[N+]=C2SC=C[NH+]2C)cc1C"]
["15148218","Cc1ccc(CN=C(O)[C@H](C)NS(=O)(=O)c2cccs2)c(C)c1"]
["MCULE-6044790195","Cc1ccc(CC(O)=Nc2c(Br)cnn2C)c(C)c1"]
["MCULE-2179457217","Cc1cc(C)c(N=C(O)c2nc(-n3cccc3)sc2CCc2ccccc2)c(C)c1"]
["177464599","Cc1ccc(CC2CCN2)c(C)c1"]
["116516028","CN=C(NCCc1ccc(F)cc1C)NCc1cn2ccsc2n1.I"]
["25463936","CCc1cccc(CC)c1N=c1sccn1C"]
["8934484","Cc1ccc(CCC(O)=Nc2cc(F)cc(F)c2)c(C)c1"]
["132329353","CCOC(=O)C(C)(C)n1cc(NC(O)=Nc2ccc3occ(C)c3c2)cn1"]
["151936093","Cc1ccc(CN=C(O)N(C)CCC[C@@H]2CCCO2)c(C)c1"]
["193510889","Cc1ccc(-c2cc(-c3c(CCCCC[N+](C)(C)C)cc(C)n3C)n(C)c2C)cc1.[Br-]"]
["143602655","CCCCC(N=C(O)Nc1c(C)ccn(C)c1=O)C1CCC1"]
["102913561","C1=[S+]CC2(CS1)CSCSC2"]
["90078713","CC(N)C1CC12CSC2"]
["73978274","C1OCC2(CO1)CSCSC2"]
["200220786","CC.CC1(C)C=CC(C)(C)CSC1.CN"]
["100769470","C1CCSCC2(CC1)CCC2"]
["185346852","C1CC2(CCSC2)C[NH2+]1"]
["183562039","N#CC(C#N)=C1SCSCC12CSCSC2"]
["54637539","CC1(C)CSC=[S+]C1"]
["57468511","CC(C)C1(C)CC2(CCCSC2)C1"]
["173025674","C1=C\\SCSCSCSC/1"]
["181287427","OC1(Cl)CSC=N1"]
["186913304","Cl.NC1CCC2(CC1)CSC2"]
["91157103","c1cc2c[te]cc2[te]1"]
["169769619","c1c[te]c(-c2ccc(-c3ccc[te]3)c3n[te]nc23)c1"]
["79183977","N=C(O)c1ccc2cc[te]c2c1"]
["170326708","c1ccc(-c2c[te]c(-c3ccccc3)c2)cc1"]
["91399151","Cc1nc(C#Cc2ccc(Cl)cc2)c(C)nc1C#Cc1ccc(Cl)cc1"]
["172376562","On1ccc2c1CCCC2"]
["96358865","Cc1nc2c(n1Cc1c(F)cccc1F)CCCC2"]
["162023960","N#Cc1cc(F)c2sccc2c1"]
["13916476","C[C@]12CCC(=O)C=C1CCC2=O"]
["79183050","CCC(C)Oc1ccc2cc[te]c2c1"]
["111302912","Cc1ccc(F)c2ccc(C#N)nc12"]
["78102947","[C-]#Cc1ccc2cc(C#[C-])ccc2c1.[Li+].[Li+]"]
["84035545","C[Si]1S[Si](C)=S=[Si](C)S1"]
["170905422","C[Si]1=[Si](C)[Si]1(C)C"]
["162916590","CC1CCN(C=O)CCS1"]
["99648981","[O-][CH+][N-]P(=[OH+])=S"]
["193097008","CC(C)(N)C(C)(C)C(C)(C)[SiH2]O[SiH3]"]
["145530331","C[SiH2]CC[SiH](C)NC(C)(C)C"]
["175313974","CO[SiH2]C(C)[SiH2]OC"]
["172654557","C[Si]1CCCN1O"]
["47165707","C[C@@H]1CCC[C@@H]2CCCS[C@H]21"]
["61832626","CC(C)(C)N.F[P-](F)(F)(F)(F)F"]
["25366579","CC(C)(N)C(C)(C)C(C)(C)N"]
["61939287","C[C@@H]1CCC[C@@H]2CCCS[C@@H]21"]
["101095502","CC(C)[Ge]1(C(C)C)[Ge](C(C)C)(C(C)C)[Ge]2(C(C)C)[Ge](C(C)C)(C(C)C)[Ge](C(C)C)(C(C)C)[Ge]12C(C)C"]
["174037725","CC(C)=C([B]C(C)C)C(C)(C)C"]
["101303090","CC([O-])C(=O)O[NH3+].CC([O-])C(=O)O[NH3+].[Ti+2]"]
["173108782","C=C.CC(C)=C(C)C(C)N"]
["148679716","CC(C)C[Si](C)(C)CN"]
["162585413","CC(C)SC(C)c1cccc(F)c1"]
["67682281","CC(C)[N+](C(C)C)(C(C)C)C(C)C.[Br-]"]
["79026609","CC(C)[SiH2]CCl"]
["54471685","CC(O)C(C)C(C)O.[Mn]"]
["27118184","[CH]C(C)C"]
["26547445","[CH2]C(C)C(CC)CC"]
["99341368","CCOC(=O)[C@@H](C)[C@H](O)C(C)=O"]
["178280672","CSSC1CCC2C3SSC3CCC3SSC1C32"]
["102866711","O[C@H]1[C@@H]2[C@H]3CC[C@H]4[C@H]2S[C@H]2[C@@H]1[C@H]3[C@H]42"]
["162878136","CSC1CCC1NC1CCC(C)CC1"]
["185817407","CSC1CCC2CC21"]
["112764022","CSC1CCC(NCc2ccc(Cl)s2)CC1"]
["159189299","CS[C@@H]1CC[C@@H]1n1ccnc1O"]
["91039374","OC1CC2CC(SSC3CC4CC(O)C3C4)C1C2"]
["186537601","CSC1CCCC2C(=CNN=C2CC(C)C)CC1"]
["158125699","CS[C@H]1CC[C@H]1N1C(=O)CN=C1O"]
["69867637","C1=CC2C3CC1C2SS3"]
["98764592","CCCCCC1CCC(C)C1C"]
["180090692","CCCC1C[C@H]2C1C1C3CC[C@H]1C32"]
["173922047","C=CC=NC1=C(C=C)C(C=C)=C(/C=C\\C=C)B2N1c1cc(O)ccc1N2C(/C=C\\C=C)=C/C=C"]
["MCULE-9356613224","NCc1cnn(-c2ccc(O)cc2O)c1CC1CCC1"]
["74350764","C=C/C=C\\C(=C)/C(C)=C/C(=N\\C)c1ccccc1"]
["173776540","C=C/C=C\\C(=C)C(=C)/C(=C\\C=C)C(O)=NCc1ccc2c(c1)OCO2"]
["73652949","COc1ccc(OC)c(C(O)CCC(C)=CC=CCCC=Cc2cc(OC)c(OC)c(OC)c2)c1"]
["174261321","C=C/C=C\\C(C)=C(/C)c1ccc(C(C)C)cc1F"]
["173908643","C=C/C=C\\C(=C/C=C)c1c(C=C)c(/C=C\\C)c(/C(C=C)=C/C=C)c(C=C)c1/C=C\\C"]
["169739304","C=C/C=C\\C(=C/C)N1C(=O)C(=C/C=C)/C(=C\\C=C)C1(C(/C=C\\C=C)=C/C)c1ccccc1"]
["99728368","C=C/C=C\\C(=O)C(C)=N/C=c1\\cccc\\c1=C/Nc1ccccc1O"]
["174616711","C=C/C=C\\C(=C)[S+](/C(C)=C/C=C)c1ccccc1.CCC"]
["184889471","C=C/C=C\\C(=C)N=c1cc(O)c2c([N+](=O)[O-])ccc(Cl)c2[nH]1"]
["197768723","C=C(N)c1c(N)n(-c2cc(O)ccc2C)c(=C/C=C(\\C)c2nccs2)/c1=C/CC"]
["100191204","[Si-]#C[C+]=C1C=C=C2[C+]=C3C=CC(=[C+]C#[Si-])CC3=C=C2[CH-]1"]
["79899322","CC(C)(C)C1=C=C2C(=C=C1)CC1=C2C=C(C(C)(C)C)[CH][CH-]1.[Li+]"]
["99750866","[B+]=C1[CH-]N=CC2=C1N=CC2"]
["50174856","O=C1OCCC(n2ncc(Cl)c(Cl)c2=O)O1"]
["147827302","C1=CC2=[C-]CC=[C+]C2=[C-]C=1C1=C=Cc2ccccc2[CH-]1.[Li+].[Li+]"]
["173289215","[B+]=C1[CH-]C(NC)=C=C(Br)C1"]
["74055493","C1=CC(=C2C=N[CH-]N=C2)CC2=[C+]CCCC=12"]
["74076039","CC1=C[CH-]C=NC1=C1C=C=C2CCC[C+]=C2C1"]
["96781392","CC1(C)CCC(C)(C)C2=CC(=C=CSC3=C[CH][CH-]C=C3)C=C=C21.[Li+]"]
["79045057","C1=CC2=[C+]CC=C3C=C=C4[CH-]C=CC=1C4=C23"]
["170519196","NC1=C=CC([Se][Se]C2=CCC(N)=C=C2)=[C-][CH-]1.[Y].[Y]"]
["150012555","[B+]=C1[CH-]C(Nc2nccc(C(F)(F)F)n2)=C=C(Cl)C1"]
["73763066","[NH-][C+]1[N+]#[N+]C(N)([S-])[N-]1"]
["179254652","CC1C(N)(S)C1(N)I"]
["195470350","NC1(I)CCCCCCC1"]
["195468978","C[N+]1(N)[N-][I+]OC(N)(N)O1"]
["174165548","NOC1CCCC(OI)C1"]
["193098680","[3H]OCCP(N)P"]
["174221332","CN=c1[n-][n-][n+]#c/c1=N/N.[W]"]
["186495637","B[C@@H]1O[C@@H]2[C@@]3(I)C[C@H]3C[C@]2(I)[C@@H]1F"]
["170399508","IC12C[C+](C1)C2"]
["75999114","N=C(S)C1(N=C(O)C2(N)CC2)CC1"]
["186148757","BC1(N)CCCCCCCC1"]
["195728508","CC1(N)C(C)(N)C(C)(I)C1(C)N"]
["193672618","CC1=C(C)N(P(C)C)C2=Cc3n(P(C)C)c(C)c(C)[n+]3C(C)C(C)N21.CC1C(C)N(P(C)C)C2=CC3=[N+](C(C)C(C)N21)C(C)C(C)N3P(C)C.Cc1c(C)[n+]2c(n1P(C)C)C=C1N(C(C)C(C)N1P(C)C)C(C)C2C"]
["53863060","CC1=CC(=CCN(C)CN2C(=O)C(C)C=C3C=C[CH-]C=C32)[N-][C+](C)[N-]1.[Y]"]
["147683233","CC1=C(\\Br)CCN(C(=N)N)CC(C)/C=C\\1"]
["94722663","CC1CC(C)C(C)N(Cc2cnc(NN)s2)C1"]
["197715363","CC1=CC(c2cc(C)c(C)cc2C)=[N+](C)CC1C"]
["187636529","Cc1ncc(-c2ccc3c(c2)N(c2cnc4c(n2)nc(O)n4C)C(O)C3(C)C)cn1"]
["2142482","Cc1cc(C2=NNC(=N[C@H]3CCCC[C@H]3C)SC2)c(C)n1C"]
["200231077","Cc1cc(Cl)nc2c1ncn2C1CCC1"]
["172678533","Cc1ncc(-c2ccc3c(c2)N(CC2COC2)CC3(C)C)cn1"]
["184608638","CC1=C(C)N2c3cccc4c3N(C3N(C)C=CN43)C2N1C"]
["22504321","CC1=C(c2ccnc(N[C@@H](C)C3=CC4=CC=N[C@@H]4C=C3)n2)[C@@H](C)NN1C"]
["8684512","Cc1cc(C2=NNC(=N[C@@H]3CCCC[C@H]3C)SC2)c(C)n1C"]
["195376293","C[NH+]1[N-]NC=C1[NH+]1[N-]N=CN1"]
["174437497","C[Ge+]=C1C=C[N-]N1"]
["76654263","C1=CN2NCCC2=NC1"]
["195368080","C[NH+]1[N-]C=CN1"]
["165733202","[2H]C([2H])([2H])C(c1ncc(Br)[nH]1)(C([2H])([2H])[2H])C([2H])([2H])[2H]"]
["46135313","C[NH2+]CCc1cnc[n-]1"]
["21895338","CSC1=N[NH+]=C(SC)N[N-]1"]
["81945336","CN(Cc1nc[nH]n1)S(=O)(=O)C1CNCCC1=O"]
["146453287","CCn1cnc(S(=O)(=O)NCC(N)(CC)CC)c1.Cl"]
["182875652","C[N+]1=[C-][NH+](C)C=C1.[Pt]"]
["49599240","CC1=NN=CNN1"]
["120288193","COC1(CN=c2cc(Br)nc(C(C)(C)C)[nH]2)CCC1"]
["161850997","Br[Si](=[Br+])C[Si-](Br)Br"]
["83056433","ClC[Si](Br)Br"]
["95654005","CCCN(CCC)C1(CN)CC(C)(C)CC(C)(C)C1"]
["159204686","CC[C@@]1(CBr)CC1(C)C"]
["91140748","Br[Si](Br)[Si](Br)=[Si](Br)Br"]
["89033848","CC(C)C1(CN)CC(C)(C)C1"]
["83060009","C[Si](Br)CBr"]
["52422398","C=CC1(CCN)CC(C)(C)CC(C)(C)C1.Cl"]
["151013267","CC[C@@]1(C)CC1(Br)Br"]
["26440556","CC1(C)CC(C)(CBr)OO1"]
["171110411","C[Si](Br)=[O+][Si-](C)Br"]
["159204685","CC[C@]1(CBr)CC1(C)C"]
["101725033","B1=B[BH2-]B=BB=B[BH2-]B=B1"]
["176217086","[B]1B=BB=BS1"]
["185161579","O[C-]1N=BNB=N1"]
["178245374","OCCNC1C2=c3c4c(cc5c6c7c8c9c%10c%11c%12c(c3c(c64)c%118)C(C2)CC%12(NCCO)C(NCCO)C=%10CCC=9CC7(NCCO)C5NCCO)C1NCCO"]
["62645815","CCCNC1CCCc2c(F)cc(Br)c(F)c21"]
["CSSS06595028314","CCn1cc(-c2noc3c2C(NCc2cnc(C)cn2)CC2(CCCC2)C3)cn1"]
["169737157","OCC(CO)CC1Cc2cc(F)cc(F)c2C2(CCN(C3=CCC4=C(CCCC4)C(O)=N3)CC2)C1"]
["31956467","C[C@@]12Cc3c([nH]c4cc(F)c(Cl)cc34)[C@@H](C3=CCCC(O)=C3)N1C(=O)N(CCCNCCO)C2=O"]
["42342041","CCCNC1CC(C)(C)Oc2cc(OCCO)ccc21"]
["179817427","OCCNC1CC2=C(CCC=C2)C1"]
["136432374","OC(CCNC1CCc2ccc(F)cc21)=Nc1ccccc1"]
["27906131","COc1ccc2[nH]c3c(c2c1F)CC1(C)C(=O)N(CCCNC2CCC2)C(=O)N1C3c1cccc(O)c1"]
["104670941","CC[C@H](CO)N[C@@H]1CCc2c(O)cccc21"]
["190340520","OCCOCCNS(O)(O)c1ccc(-c2cccc(N=C(O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.[HH]"]
["178056490","CC1=C2c3ccc(-c4cnn(C)c4)cc3C(Nc3cccc(CCO)c3)CCN2NN1"]
["44177712","[CH2]N[B+]N[CH2+]"]
["26254388","[CH2]NC1CC1"]
["99802132","[CH2+]C=[Si](NC)N[Si](C)N[Si-]C"]
["192686827","C/C=C/C(C)C.[CH2]N[B+]C"]
["173354408","[CH2]NCC.[Pb]"]
["97876425","[CH2]N[GeH3]"]
["168330740","C=C([CH2+])NC([O])=O"]
["78243970","[CH2]NC(C)=O.[Sn]"]
["171678432","[CH2]NN[NH-].[In+]"]
["25340994","[CH2]NN"]
["51163613","[Bi].[CH2]NC(C)=O"]
["96607972","[C]N[CH2+]"]
["145222938","C[P+](=O)CCC(F)(F)CC[OH+]C(F)(F)CCP([O-])[O+]=O"]
["91286157","C[Ge-]=[O+]C(=O)C(F)(F)F"]
["99251853","CC(CCP(=O)=O)C(F)(F)CC[NH3+]"]
["56019485","CC(CC(=O)O)CC1OCCS1"]
["78055116","C=C(C(=O)OC(OCCC(F)(F)S)(C(=O)OCC)C(F)(F)F)C(F)(F)F"]
["67129642","CC(=[OH+])CC(=O)C(F)(F)F"]
["145228840","C[P+](=O)C(F)(F)C[C@@H](O)[C@@H](O)[C@@H](O)CN(O)C=O"]
["175122467","C[N+](C)(C)CCO.Cl.O=C([O-])C(F)(F)F"]
["178359868","CC(=O)OC(OCCC(C)(F)F)(C(=O)OI)C(F)(F)F"]
["99583093","CCCCCCCCCCCCCCCCCC[OH+]C(CC)(OP([O])[O-])[As+](C)(C)C"]
["78691002","CC(=O)SCCC(F)(F)CCC(F)(F)C(F)F"]
["113438701","CN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1"]
["79475585","C1=C2C3=C(C23)C23C1[Si]C1C2C13"]
["95932802","O=C1NC(=NC2CC=CC2)NC1=O"]
["173006025","CCCCN1C(=O)C2C(c3ccccc3)=C(c3ccccc3)N(CCCC)C(=O)C2C(c2ccccc2)=C1c1ccccc1"]
["101195990","CCCCC1C2=C(CCCC2=O)NC2=C1C(=O)CCC2"]
["181366653","CC#CCC1(NCCC)C=CC(N)=CC1Cl"]
["59438253","CN(Cc1nccn1C)CC1(C)COCC1N"]
["98477493","CC1=C(C=CC=CC=CC=C2C(C)C=C3N=c4ccccc4=C3C2(C)C)C(C)(C)C2=c3ccccc3=NC2=C1"]
["166830451","ON=C(O)C1=CC2CCC23NC13"]
["45993722","C=C(Nc1ccccc1N)[C@@H]1C(=O)COC1=O"]
["97499635","CC1=C[C@H]2[C@@H](CC1)C(=O)C=CCC2(C)C"]
["178188666","Nc1ccc(OC2C=C(c3ccccc3)C(O)=CC2)c(N)c1"]
["161917680","CC1=CC(C)CC(C)C1=O"]
["150138422","C1CCC23CCC4(CCS2(CC1)C4)C3"]
["154957454","CN[C@]1(C(=O)O)CCCS(=O)(=O)C1"]
["171475998","BrC1(Br)CCCCCC1(Br)Br"]
["94219879","CC1CC1CNC1(CN)CCCS(=O)(=O)C1"]
["61214660","CC1(NCC2(N)CCOC2)CCS(=O)(=O)C1"]
["84649143","NCC1(C2(O)CCS(=O)(=O)C2)CCCCC1"]
["157889684","COC[C@]1(C=O)CCS(=O)(=O)C1"]
["86011423","CC1CNC2(CCCS(=O)(=O)C2)SC1"]
["101953772","C1=CNC2(CCCCC2)CN1"]
["178832314","C1CCCC2(CCC1)CC13CCC2(CC1)C3"]
["150682280","CCN1CCCCCS1(=O)=O"]
["19023594","COC(=O)C[NH+]1CCC2(CCCCC2)CC1"]
["185169840","FN(F)CC(=C(CN(F)F)N(F)F)N(F)F"]
["52651772","CC(C(=O)CN(C)C)N(C)C"]
["181406837","FN(F)CC(C1OCCO1)N(F)F"]
["42287656","CN(F)C(N(C)F)N(F)F"]
["78609084","C.N=C(S)N(CO)CO"]
["181543470","CC(=O)N(O)CC(=O)C(O)(CO)CP"]
["174793146","O=C(O)CS(=O)(=O)N(F)F"]
["161335653","FC(F)=C(N(F)F)C(F)(F)F"]
["156332321","CCN(CCF)CC(=N)O"]
["194343957","C=C(Cl)C(F)(F)F.ClCC(Cl)=C(Cl)Cl.F"]
["163664973","CCN(C(=O)[O-])[B-](F)(F)F"]
["48054871","CC(CO)(CO)CN(F)F"]
["26119233","CS(=O)(=O)C1=C=NC(S(C)(=O)=O)=NC1=S(C)([O])=O"]
["199183740","CC(C)(C)c1ccncc1S(C)(=O)=O"]
["108590454","CS(=O)(=O)c1nsc2sc(CN)cc12"]
["112670152","CCS(=O)(=O)CCN=c1[nH]ccc(C#N)c1Cl"]
["186345579","Cc1nnsc1C(O)=NCC1(S(C)(=O)=O)CCCCC1"]
["198203821","Cc1ccc(S(C)(=O)=O)c(C(=O)N2CSCC2C(=O)Nc2ccc(C(N)=O)cc2)c1"]
["169139790","CC1=N/C(=C\\c2c(C)cc(F)cc2C)C(=O)O1"]
["87508231","CC1(n2c(S)nc3c(S(C)(=O)=O)cccc32)CCCC1"]
["MCULE-4064831958","CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn(C(C)C2CC2)c1Br"]
["MCULE-8607206901","CNc1ccc(-c2cccnc2S(C)(=O)=O)cc1"]
["120136549","Cc1ccc(C(O)C(C)S(C)(=O)=O)c(F)c1F"]
["108108207","Cc1cccnc1[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C"]
["174089996","[B]1CN[B]CNC[B]NC1"]
["106304810","C[C@@H](C1CCCC1)[C@H]1CCNC1"]
["65905419","Cl.Cl.[2H]C1([2H])NC([2H])([2H])C([2H])([2H])NC1([2H])[2H]"]
["106304817","C[C@H](C1CCCCC1)[C@H]1CCNC1"]
["60908267","C1CC(C(C2CC2)C2CC2)CN1"]
["120921979","CC(C)c1ccc(=NC2CNC2)[nH]n1"]
["178233108","CNC(=N)C1CNC1"]
["23370773","[2H]C1([2H])NC([2H])([2H])C([2H])([2H])NC1([2H])[2H]"]
["100317349","B1=BNNC1"]
["157840651","COC(C)(C)[C@@H]1CNCCO1"]
["170157441","NC1CC2CNCC(C1)C2"]
["163537176","C=CNC(C)C1CNC1"]
["180626519","CCC[I]N(CCC)C1N[I][CH-]CC1CC"]
["113497269","CCCN(Cc1c(Cl)cccc1Cl)CC1CCCN1"]
["84859609","CCCN(CC1CC1)C(=O)OCCO"]
["148099168","CCCN(CC1CC1)C(=O)C1(S(C)(=O)=O)CCNCC1.Cl"]
["195513116","CCCN(CCC)C(=O)c1c(C(C)=O)c(C)n(C2CC2)c1C"]
["58691279","CCCN(C1CNC1)S(=O)(=O)C(F)(F)F"]
["186534264","CCCCCCC1CCC(CCC(C)(C)I)C2C3CCCC(CCC)C3N(N)C12"]
["58162303","CCCN(CCC)S(=O)(=O)CC12CCC(CC1=O)C2(C)C"]
["104828632","CCCN(CC(=O)O)[C@H]1CS(=O)(=O)C[C@@H]1O"]
["85202983","CCCCC1CCC(C(O)=N[C@H]2CCNC2)CC1"]
["MCULE-8813072190","CCC1CCC(C(O)=Nc2nc3ccc(C#N)cc3[nH]2)CC1"]
["158488527","CC[C@@H]1CN(C(=O)CC(=N)O)C[C@H]1O"]
["79508289","OBBBBBBBBBBBBO"]
["79758810","CC(C)=CBO"]
["47227005","[2H]B(O)N=C(O)C=C"]
["175577290","C.C=CC(=O)O.[Ti]"]
["164372857","BC(C)(C)BO"]
["79450132","OBO.[SiH4]"]
["163689474","OBN(P)P"]
["91113278","C=CC#CC(O)[C+]=C=[Si-]"]
["66405742","C[C@H](Br)C(=O)[C@@H](C)Br"]
["174447098","CC(C)(C)N=CO.[Ti]"]
["193630780","CC(C)(C)C.CC(C)=C(C)C"]
["79002920","OBO.c1cc2ccc1=2"]
["75999310","[C-]1=[N+]=CCC2N=COC12"]
["25945836","C=CCC1OC=NC1C(=O)OCC"]
["94238262","CCCn1nccc1C1OC=NC1C(=O)OCC"]
["147600003","C=CC1N=COC1c1ccccc1"]
["2053352","Cc1ccc(C2=NN=C([C@H]3Nn4c(nnc4C(C)C)S3)C2)o1"]
["174088559","CCC1=C(N)N=CC[C@H]1C"]
["185804020","CC=NC1(C)C=[N+]=CCC(C)C1[NH3+]"]
["100317147","C1=NC[C@@H](c2ccccc2)O1"]
["185962302","Fc1cc(Cl)c(F)c(C2CCON2)c1"]
["51147349","O=C(C1N=COC1C1C=COC1)N1CCCC1"]
["164604141","CCOC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](COC)CC2"]
["32390604","C1=N[C@H]2CCCC[C@@H]2C1"]
["101150515","F[PH]1(F)[BH2-][PH]([F+])([F+])[BH2-]1"]
["79842808","F[PH]1(F)N[PH](F)(F)N[PH](F)(F)N[PH](F)(F)N1"]
["175988804","C[C@H]1CC(F)(F)CN1C#N"]
["26399145","FC1(F)[CH]C1(F)Cl"]
["189283996","C[PH]1(F)CCCCC1"]
["198113769","FC(F)=C[Si-]=[F+]"]
["101150511","[F+][PH]1([F+])[BH2-][PH3][BH2-]1"]
["161400115","CB1O[PH]1(C)F"]
["25615803","FC1(F)C(F)(F)C1(F)CCBr"]
["78458790","C[PH]1(F)CC1"]
["188105553","CC1CC(F)(F)CN1C#N"]
["167348456","FC1(F)SC(=[F+])S1"]
["97695367","CC1=CC2=C[N-]CCN=CC3=C[C+](C)C=C(/C=N/CC[N-]C=C4C=C(C)C=C(C=[NH+]CCN=CC5=C[C+](C)C=C(C=NCC[NH+]=CC(=C1)C2=O)C5=O)C4=[OH+])C3=[OH+]"]
["73998936","Cc1ccccc1N1[N-][C](C2=C(c3ccc([FH+])cc3)NN3CC4(CCC4)CN=C23)C=CC1=O"]
["83568934","Cc1cccc2c1N=CC(=NC(O)=NCC1CC1)C2=O"]
["63769626","CC1=C/C(=C/NC2CCCCC2C)C(=O)C(c2ccccc2)=C1"]
["105757925","CC[C@@]1(c2ccc(NC(=O)c3cccc(C)n3)cc2)CCC(O)=NC1=O"]
["91541267","CC1=CC2=C(C)NCC(O)CNC(C)=C3C=C(C)C=C(C3=O)C(C)=NCC(O)CN=C(C)C(=C1)C2=O"]
["65808155","COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC(=O)[C@H]1C(C)(C)CCC[C@@]12C"]
["102966981","CC1=CC2=CNCCN=CC3=CC(C)=CC(=CNC(C)CN=CC(=C1)C2=O)C3=O"]
["131556690","CCCCOC(=O)C(C)NC(c1nc(C)cs1)C1CC1"]
["44062889","Cc1cccc(C(O)=N[C@H]2CCC[C@]3(CCN=C3O)C2)n1"]
["162253238","COC(=O)c1ccc2c(n1)NCCC2(C)C"]
["76837755","CC1=CC2=NC(C(=O)O)=CC(=O)C2=CC1Cl"]
["175224431","[B]C([B+])(CCCc1c[n-][cH-][cH-][cH-]1)NC([B+])([B+])[B+]"]
["172431827","CCC(O)(O)c1cc(I)cc(I)c1"]
["55598173","CCNCC(C)(CC)CCc1scnc1C"]
["MCULE-7935234036","CNCCCc1c(N)cccc1C(F)(F)F"]
["48255167","CNC(C)(CCCCSc1nc(C)cc(C)n1)C(=N)O"]
["173749626","[B]C([B+])([B+])c1c[n-][c-](C([B+])([B+])NC([B+])([B+])C2(F)CCN([C-]([O-])[c-]3[cH-][cH-]c(F)c(Cl)[cH-]3)C([B+])([B+])C2([B+])[B+])[cH-][cH-]1"]
["177886365","CCCCC(C)(C)c1csc(Br)c1C"]
["112012739","CC(C)(CNCc1ccc(Cl)s1)N=C(O)OC(C)(C)C"]
["168464410","c1ncc2[cH-][n-]cc1-2"]
["95597422","CCCNC(COC)c1scnc1C"]
["46679239","COCCNCCC(C)(O)c1cccc(OC(F)(F)F)c1"]
["69992924","NCCc1cc(I)cc(C(F)(F)F)c1"]
["62164031","C=CC[Si]1N[Si+](CC=C)N[Si-](CC=C)N1"]
["44830174","C=CCc1nsc(N)c1Br"]
["87331005","C=CCN(C(C)(C)C)S(=O)(=O)c1c(CNC)n[nH]c1C"]
["79639897","C=CCC(CC=C)NC(CC=C)CC=C"]
["94303718","C=CCCN=c1nnc(C)c(C)[nH]1"]
["60861744","C=CCC1=C(N)NC(=N)NC1OCCOCP(C)(C)=O"]
["74439575","C=CCc1c(CC)nc(=N)[nH]c1C"]
["79512693","C=CC[Si](CC=C)CC=C.C=CC[Si](CC=C)CC=C.[Al]"]
["79154139","[CH2]CCN1[Si](CC=C)(CC=C)CC[Si]1(CC=C)CC=C"]
["79090431","C=CC[N+](=C)CC=C.[Cl-]"]
["99659856","C=CC[Si]1OO1"]
["99188703","C=CCC[Si](C)(C)N"]
["174785031","[B+]=C1CC(N=c2cc[nH]c(=[NH2+])[nH]2)=C=C2C1=NN1C[C-]21"]
["182406470","COC(CN)c1nc(-c2ccc(F)cc2)c(-c2cc[nH]c(=NCCCN3CC=NC3)n2)[nH]1"]
["64231172","c1cc(=Nc2cc(C3CC3)[nH]n2)[nH]c(NCc2ccnc3[nH]ccc23)n1"]
["119502900","COc1ccccc1CCN=c1[nH]ccc(=Nc2ccccc2C(C)(C)C)[nH]1"]
["173749810","CCC(C)N=c1ccn2cc(-c3cccc(C)c3)nc2[nH]1"]
["156975748","CN=c1cc(N2CCC[C@@H]2C)cc[nH]1"]
["199296996","[B+]C1([B+])C[C-]2[N-]CC(N=c3cc[nH]cc3F)=C=C2C([B+])([B+])N1[C-]([O-])OC(C)(C)C"]
["88368403","CCCN=c1[nH]ccc(=Nc2ccc(Br)c(OC)c2)[nH]1"]
["150433024","COCCOc1nc2cnc(N=c3ccnc(C(C=NS(=O)(=O)C4CC4)=CN)[nH]3)cc2n1C(C)C"]
["95496027","CCCN=c1cc(N(C)C2CCCN(C)C2)cc[nH]1"]
["144284116","Cc1ccc(=NCCCN=C(O)N(C)Cc2ncc(Cl)n2C)[nH]c1"]
["93909343","N=c1[nH]ccc(=Nc2cc(Cl)cc(C(F)(F)F)c2)[nH]1"]
["173802007","CS1(C)CC[B]CCC1"]
["180579332","CC1=CC2=C(CC#CC2)C1"]
["175675294","CCC(C(C)=O)S1(C)CCCC1"]
["173716407","[B]C([B])C1S(C)(C)CCS1(C)C"]
["186073707","CC(C)(C)C1CCS(C)(C)C1"]
["176283742","C1CCC2(C1)CCC2.CC.CC"]
["57076992","CS1(C)C=NCC1"]
["185830516","CS1(CC(O)c2ccccc2)CCCC1"]
["162020042","CS1(C)CCCC1I"]
["173972379","[B]1CCCN=C=NCC1"]
["182993173","CS1(#[N+]N=[N-])CCCNS1(=O)=O"]
["180759313","C[C@H]1C[B]CCC1"]
["52135706","C1=C2N=C(CN3[CH-]N(CCC3)Cc3n[n-]c(n3)CN3CCCN1C3)[N-][N-]2.[Pt+4]"]
["154874626","CC(C)(C)c1cc(=O)n(CC2CCN(Cc3nc4c(o3)CCC4)CC2)cn1"]
["51264789","CCN=C(O)CN1CCCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1"]
["190934686","Cc1nc(CN=C(O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCN(C)[C@@H](C)[C@@H]2C)n1"]
["158722627","OC(=Nc1cnn(C(F)F)c1)[C@@H]1CN2CCCN1CC2"]
["8528634","OC(=NC[C@@H]1CCCO1)[C@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1"]
["152029314","CC1CCC2(CC1)OC[C@H](CN=C(O)[C@H]1CN3CCCN1CC3)O2"]
["166454455","C[C@@H](N=C(O)C1CN2CCCN1CC2)c1ccccc1"]
["160782909","OC(=Nc1nnc2ccc(Br)cn12)C1CN2CCCN1CC2"]
["195108480","CC1=C[C@@H]2/C=C(C)/C=C/C(O)=NCCC3=CN(CCCN=C(O)/C=C/C(C)=C/C=C/[C@@]2(C)CC1)CN3C"]
["193679524","Cc1nc(CN=C(O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CC[C@@H](N(C)C)[C@H]2C)n1"]
["96311221","CC1CCN(c2nc3c(cc2C(N)=NO)CCC3)CC1C"]
["54676581","ClNc1cc(I)c2c(ccn2Cl)c1"]
["175010868","CC1c2ccccc2CN1c1cnc2c(ccn2Cl)c1"]
["MCULE-9793129060","Brc1ccc(CNc2cnc(Br)c(I)c2)cc1I"]
["120427568","COc1nc(Nc2ccc(Br)c(I)c2)ncc1Br"]
["200412817","COC(=O)c1c(-c2cc(O)ccc2I)nn(-c2ccccc2)c1C(=O)OC"]
["157794936","O=S(=O)(CCl)Nc1ccc(I)c(Br)c1"]
["10384939","Cc1ccc(NCN2C(=O)c3cccc4cccc(c34)C2=O)cc1Cl"]
["114926948","Cc1ccc2cc(C(N)c3cc(Cl)ccc3I)ccc2n1"]
["149381210","COc1ccc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC"]
["58505780","CCn1ccc2cc(NC(=O)CNC(=O)c3ccc(OC)cc3)ccc21"]
["170072166","Cc1cc2c(C)c(I)n(I)c2c(I)n1"]
["64999760","Cn1c(N=C(O)c2ccc([N+](=O)[O-])cc2I)nc2cc(Cl)ccc21"]
["184315939","II1CI2C[I-]I3CCC3I12"]
["179390260","II1[I-]C2CCC1CC2"]
["180333634","C1CC(I2CCC[I-]2)C1"]
["184512585","II1CC[I-]I1I"]
["178556572","CC1CCCI([C@@H]2CCI2Cl)C1"]
["184392909","ICI1C[I-]C[I-]1"]
["180313233","II1CC[I-]C1"]
["102823615","CN(C)C(=O)[C@H]1CC[C@](C)(COC[C@@]2(C)CC[C@@H](C(=O)N(C)C)[C@@]2(C)CI)[C@@]1(C)CI"]
["67785591","N=C(O)CNCC1CCC1"]
["111853610","COC(=O)C(I)CNCC1CCC1"]
["180800173","CC1CCC(I2C[I-]2)CC1"]
["102823614","CN(C)C(=O)[C@@H]1CC[C@](C)(COC[C@@]2(C)CC[C@@H](C(=O)N(C)C)[C@@]2(C)CI)[C@@]1(C)CI"]
["176098075","C=[C-]/C=C1\\C(=C)C2=C(C=[C-]CC2)C12COC2.[Y].[Y]"]
["CSSS01844097054","C=Cc1ccc(OC)c(OCC2(C)COC2)c1"]
["150019339","C=C1C(=C(Br)C=C(C)Cl)C(C(O)=NCC2CCCCCC2)=C[N+]1(C)CC1(O)COC1"]
["120823335","CC(CC1(c2cc(Br)cs2)COC1)C(=O)O"]
["196423435","OC1(Cc2ccc(Cl)s2)COC1"]
["120822481","NC1CC(C2(c3ccc(Cl)s3)COC2)C1"]
["187177276","CCN(CC)CC1=C(c2ccc(Cl)cc2)CC2(CC1)COC2"]
["197453136","NC1(c2cc(Br)no2)COC1"]
["120825383","O=C1CCC(C2(c3ccc[nH]3)COC2)CC1"]
["186474520","CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(CF)(C5)C6)c4)cc3Cl)CC2)COC1"]
["176023983","C.C=C1[C-]=CC=[C-]C1.[Lr]"]
["120827617","Cc1ccc(C2(Br)COC2)o1"]
["97533713","[S]C#C[S+]=S"]
["96525196","C#CC#CC#C[S]"]
["79564284","[S]C#CBr"]
["101324634","[CH2-][O+]=C=S"]
["79113410","CCC(C)C#C[S]"]
["96901066","C#CC#C[S]"]
["101059650","[S]C#CS"]
["54369594","C#CP(=S)(C(C)(C)C)C(C)(C)C"]
["78611540","CC#CC#C[S]"]
["78960532","CCC#CC#C[S]"]
["79564743","[S]C#CI"]
["78202631","CC(Cl)C#C[S]"]
["196474762","[2H]S([2H])([2H])([2H])([2H])S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)C#N"]
["192253588","N#CS(=O)(=O)C#N.c1ccccc1"]
["88038863","CCOCCOC(=O)C(CC)S(=O)(=O)CC#N"]
["192852892","N#C[S-].O=S(O)(O)=S.[Na+]"]
["162199878","C1CCCCCCC1.N#CS(=O)(=O)C#N"]
["79564187","N#CS(=O)(=O)O.[Cd]"]
["179926548","N#CS(=O)(=O)OO"]
["161685810","N#CS(=N)(=O)F"]
["159409676","CC(=BC#N)S(=S)(=S)S"]
["174776478","CC#N.O=S(=O)(O)F"]
["101130186","N#CS(F)(F)F"]
["53696380","N.N#CS(=O)(O)=S"]
["164498706","N1=[P+]=NSN=[P+]=NS1"]
["101185656","N1=PNSNP=NS1"]
["170853130","N1=C(OC2=NNSO2)OSN1"]
["84061663","C1[As]2=NSN=[As]1=NSN=2"]
["161681980","NC(N)(Cl)SSC(N)(N)Cl"]
["162470719","O=C1N=C(CBr)SC1=C(O)O"]
["84061664","CC1[As]2=NSN=[As]1=NSN=2"]
["171978476","C=C1[N]SN=N1"]
["173008054","N1=NS1"]
["74611329","[O]C1=NCCSCC1"]
["181748651","CC1=NC(C=O)=S=C1N=[N+]=[N-]"]
["161688274","OC1(CS)SS1"]
["164346668","BC(B)C(B)(C(B)(B)B)C(B)(B)B"]
["101533591","CC(O)CC(CC(C)O)(N=O)C(CC(C)O)(CC(C)O)N=O"]
["148607346","B[C@@H](CC)OC(C)(CO)CO"]
["186369000","BC(B)(B)C(B)(C(B)(B)B)C(B)(B)O"]
["168960342","B/C(=C(/B)C(B)(B)O)C(B)(B)O"]
["166847474","NC(N)C(N)(N)C(N)(N)C(N)(N)N"]
["164694644","BC(C)(C)BPC(C)C"]
["78615624","BC(C)(Cl)Cl"]
["78343077","BC(I)(I)CCC"]
["96491732","BC(O)Br"]
["45908769","CCCC(Cl)[Si](OCC)OCC"]
["161352492","BC(B)(B)C(B)(Oc1ccc(Br)cn1)C(B)(B)B"]
["175402398","IN1P(I)N=P(I)(I)N(I)P1I"]
["99865670","CCCP1(I)=NP(Cl)N(Cl)P(Cl)N1Cl"]
["195957264","CC1PP(I)N1C=O"]
["178724232","Cc1c(C=O)cnn1I"]
["185321421","IP1(I)=NP(I)(I)=NP(I)(I)=N1"]
["26931659","CN(C)N1P(N(C)C)N=P(N(C)C)(N(C)C)N(N(C)C)P(N(C)C)N(N(C)C)P1N(C)C"]
["189243703","CN=c1nn[nH]n1I"]
["175067652","FC(F)c1cc(-c2cc(Cl)ncn2)n(I)n1"]
["175073624","CCOP1(Cl)=NP(Cl)N(Cl)P(Cl)N1Cl"]
["161726289","CN(C)P1N=[P+]=NP(N(C)C)(N(C)C)=NP(N(C)C)(N(C)C)=N1"]
["171423749","IN1C=N1"]
["180453555","CP1(I)=NP(I)(I)=NP(I)(I)=N1"]
["193859057","[Li+].[N-]=C=C1N=C=NC1=C([NH-])O.[Rf]"]
["49650763","Fc1cc(Oc2ncc(Br)cn2)ccc1Br"]
["101938550","CC(Oc1ccc(OC2=CC=C=C2F)cc1)C(=O)O"]
["MCULE-7496469609","O=C(O)C#Cc1cc(F)nc(F)c1"]
["25878565","O=C(O[C]1C=CC(Cl)=C=N1)c1ccc(F)cc1"]
["181773545","[N-]=NN=C1N=C=N1"]
["192715277","CCC#CCO.CCC#CCOc1ncnc(F)c1F.Fc1ncnc(F)c1F"]
["58645387","CCC(C)(C)N=C(O)C(C)Oc1cc(F)c(N)cc1F"]
["25149163","C1=NC2=C(N=1)N[CH]C=C2"]
["74056518","CCC1=C[C](C2CC2)N=C=N1"]
["56975191","CC(C)(C)OC(O)=NC1=NCC(Br)CN1"]
["195397030","CC1=C=NC(=C=[N-])N=C1.[CH3-].[U+2]"]
["48713556","[B]1SB=S=BS1"]
["68054002","B1=S=BS1"]
["81927684","B1=BS1"]
["79108821","C1CSP=P1"]
["167226250","Cl[C-]1N=C=CS1.[Li+]"]
["173751929","B1=S=BCCCCCC1"]
["173676694","B1=S=BCCCC1"]
["173676693","B1=S=BCCC1"]
["63292010","B1=S=BSS1"]
["161690916","[B]1SC=CS1"]
["64566080","[B]1SCCCS1"]
["65246076","[B]1SCCS1"]
["103032653","[Si+]1=[SiH-]2[SiH]=[SiH][SiH]1[SiH2][SiH2]2"]
["101032394","[SiH]1=[SiH][SiH]2[SiH+][SiH]1[SiH2][SiH2]2"]
["25469716","CCCOC(O)=NC(=N)NC#N"]
["79036215","O=P(=O)[SiH]1[SiH2][SiH2][SiH2][SiH2]1"]
["96758592","[Si+]1[SiH]2[SiH]=[SiH][SiH]1[SiH2][SiH2]2"]
["174723887","CN[SiH]1[SiH2][SiH2][SiH2][SiH2]1"]
["78102113","O=N[SiH]1[SiH2][SiH2][SiH2]1"]
["100919365","[SiH]1=[SiH][Si]23[SiH]=[SiH][SiH]2[SiH2][SiH]13"]
["79260212","[SiH]1=[SiH][SiH]2[SiH]=[SiH][SiH]1[SiH2]2"]
["54219359","CNB1NB(NC)NB(N(C)B2NB(NC)NB(N(C)C)N2)N1"]
["174177103","CNCN(C)C(C)(C)CCN"]
["195356238","CNN(N(C)C)N(C)N(C)C"]
["150691941","CNSSN(C)C"]
["62529806","CNB1N[B]NB(C)N1"]
["78066117","CNN(C)I(C)C"]
["78677132","CNN(C)C.O.O"]
["78464714","CCN(C)N(C)N(C)N(C)N(C)N(C)N(C)N(C)NC"]
["43166436","CNB1NB(C)NB(OC)N1"]
["178311770","C#CN(C)CNC"]
["24222034","CNN(C)C.Cl.Cl"]
["120700647","CNCN(C)c1ccc(OC)c(C)c1OC"]
["173969285","FOC(OF)C(OF)(OF)C(OF)(OF)C(OF)(OF)OF"]
["27079733","C=COC(C(C)(F)F)C(C)(F)F"]
["79816731","O=S(=O)(OF)C(F)F.[Zn]"]
["182500324","CC(C(OF)(OF)OF)C(OF)(OF)OF"]
["79775835","CC(C)OC(=O)C(F)(CF)OF"]
["194656025","COC(OC)C(C)(F)F"]
["102905003","CC(C)OC=N/C(=C\\F)O[Si](C)(C)C(C)(C)C"]
["26814426","CC(C)OP(=O)(OC(C)C)C(C(C)C)(C(C)C)P(=O)(OF)OF"]
["195297672","CC(C)OC=NC(C)(C)C"]
["33055143","CC(C)OP(=O)(OC(C)C)C(F)(Br)Br"]
["183088411","FOC(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F"]
["100170197","FC(C(F)(F)F)C(F)(F)OI"]
["184181802","[CH2-][CH-][C-]1[CH-][CH-][CH-][C-](C[Cl+]C[Cl+]C[I+]C[I+]C)[CH-]1"]
["178684102","C[I+]C[C@H](N=C(O)OC(C)(C)C)C1N[CH-][C-](C2=ICCCC2)N1"]
["195794007","CC1=C(CS)[C@@H](C)C[C@@H](C)C1"]
["178462738","CC1CC(CS)=Cc2c1oc1ccccc21"]
["180071471","C[I+]CC1S[C-](C)Cc2oc([CH-]Br)cc21"]
["66138282","CCP1O[CH-]C(C)[C-](C)O1.[V].[W]"]
["178887499","[CH2-][CH-]C(CCC[C-]([CH2-])C[I+]C)[Br+]C"]
["179552476","C[C-]1[CH-]C(C)O[I+]O1"]
["4092242","COc1ccc(S(=O)(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1OC"]
["120767593","CCCNC(CCC1CC1)C1(OCC)CCC(C)CC1"]
["88224598","CC(C)CNC1(C#N)CCOC1C"]
["150172437","CCOC1(C)C2OC(C(OC)OC)(OC2C)C1(C)OCC"]
["178930225","[B]CN(CS)OCI(=O)(O)CO"]
["79693052","CCC(=O)O[SiH](CCCS)OC(=O)CC"]
["26469972","CC(C)(C)OC(=O)N(CCCCCCCCN(CCCN=C(O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCN=C(O)OC(C)(C)C"]
["183459587","CCN(CC)OC(=O)C1(N=[N+]=[N-])CC1"]
["78451656","O=c1oc(CO)c(CCCC(CON(O)O)ON(O)O)o1"]
["158375791","CCOC(=O)Cc1cc(S)c(C#N)c(Br)c1"]
["184011549","CCc1cccc(C)c1N(C(=O)CCl)[C@@H](C)C(=O)CN=[N+]=[N-]"]
["181349644","O=C(c1ccc(Br)c(S)c1)N(S)CCO"]
["26241491","C=C(CC)C(=O)N(OCCO)OCCO"]
["26499699","O=C(O)CN(CC(=O)O)C1(C(=O)OCCO)CC1"]
["178865801","[B]CCCCC(N)(CCN(C)CCO)C(=O)O"]
["57598985","CCN(CC)CC.CCN(CC)CC.O=C(O)CC(O)C(=O)O"]
["100879652","N1=[Se]=N[Se]N=[Se]=N[Se]1"]
["99542642","C[Si](C)(C)P(=N)([Si](C)(C)C)[Si](C)(C)C"]
["79775210","[CH2-]CO[Si](O)(O)O.[Li+]"]
["99510729","[CH2-]CCN(C)[Si](C)(C)C(C)(C)C.[Li+]"]
["99425193","[CH2-]CCN(C)[Si](C)(C)C.[Li+]"]
["171727649","[Li+].[c-]1nnco1"]
["168450793","C1=N[Se]N=[Se]=N1"]
["23069642","Nn1nnnc1O"]
["78274694","C1=CO[CH]N=1.[Li+]"]
["99510863","[CH2-]CCN(C)[Si](C)(C(C)(C)C)C(C)(C)C.[Li+]"]
["188027069","C1=C[N][Se]N=1"]
["167394351","C1#[Se]C=C[N-]1.[Li+]"]
["70576502","N=c1[nH]c(C(=NOCc2cc(=O)c([O-])cn2O)C(=O)NC2C(=O)C3C(C(=O)[O-])=C(CSc4cnns4)CSC23)cs1.[Na+].[Na+]"]
["177345612","N=c1[nH]c(C(=NOCC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C[N+]4(CCN=C(O)c5ccc(O)c(O)c5Cl)CCCC4)CS[C@H]23)cs1"]
["99783826","[B+]=[O+]C([O-])CCO/N=C(\\C(=O)O)c1csc(N=C(O)OC(C)(C)C)n1"]
["193372527","CC1(C)C(CC(=O)/C(=N/OCCOc2ccc(C(N)=NCCN)cc2)c2csc(=N)[nH]2)C(=O)N1OS(=O)(=O)O"]
["75811449","Cc1sc(=N)[nH]c1C(=NO)C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Sc3ccncc3CSCCN)CCC12"]
["198204945","N=c1[nH]c(C(=O)N2CCC[C@@]3(CO)CCN(C(=O)c4ccccc4)C[C@H]23)cs1.O=CO"]
["97803282","N=c1[nH]c(/C(=N/OCC(=O)O)C(O)=N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1"]
["167164136","CC(C)(O/N=C(\\C(O)=N[C@H]1Cc2cccc(C(=O)O)c2OB1O)c1csc(=N)[nH]1)C(O)=N[C@@H](CO)C(=O)O"]
["MCULE-9375484687","CCCCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CSc1nccn1C"]
["73547711","CC(C)(O/N=C(\\C(O)=N[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1CN=C(O)C1CN(Cc2cc(=O)c(O)c[nH]2)C1)c1csc(=N)[nH]1)C(=O)O"]
["175694760","CO/N=C(\\C(O)=NC1C(=O)N2C(C=O)=C(Cc3cccc(N(C)C(=O)CSC(C)=O)c3)CSC12)c1csc(=N)[nH]1"]
["161624101","CCN=c1[nH]c(Nc2cc(F)c(C(=O)N3CC4C[C@H](C3)O4)cc2OC)ncc1C(F)(F)F"]
["194009310","[C+]#[N+]c1cc2ccc3cc(-c4cc5c6c(ccc7cc(=C8N=C(c9ccccc9)N=C(c9ccccc9)[N-]8)cc(c76)CC=5)c4)cc4c3c2c(c1)n4-c1ccccc1.[C+]#[N+]c1cc2ccc3cc(-c4cc5c6c(ccc7cc(=C8[N-]C(c9ccccc9)=C=C(c9ccccc9)[N-]8)cc(c76)[CH-]C=5)c4)cc4c3c2c(c1)n4-c1ccccc1"]
["174258174","c1ccc(-c2ccc(N(c3ccc4cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc4c3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1"]
["199182260","[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc2)c([2H])c1[2H]"]
["150752145","c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(-c4ccc5c(c4)c4c6cc7c(cc6ccc4n5-c4ccccc4)sc4ccccc47)ccc23)cc1"]
["188118029","c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cccc3c5cc6c7cc8c(c9ccccc9n8-c8ccccc8)c8c9cc%10c(cc9n(c6cc5n4c23)c78)c2ccccc2n%10-c2ccccc2)cc1"]
["184642217","[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1-c1ccccc1"]
["67914742","Oc1cccc2c1c1occc1n2-c1ccccc1"]
["169843576","c1ccc(-c2nc3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4c3o2)cc1"]
["186692669","N#Cc1cccc(C#N)c1-c1ccc2c(c1)c1ccc(-c3ccccc3)cc1n2-c1ccccc1"]
["172185733","[C-]#[N+]c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc(-c4cccc5ccccc45)cc32)c1"]
["166547407","CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1ccccc1n2-c1ccccc1"]
["173950921","[B+]=C1C(=[B+])C(=[B+])[C-](c2cccc3c2sc2c(-c4ccc5c6ccccc6n(-c6cccc(-[c-]7nc(-c8ccccc8)[n-][c-](-c8ccccc8)[n-]7)c6)c5c4)cc(-n4c5ccccc5c5ccccc54)cc23)C(=[B+])C1=[B+]"]
["185911554","[B+]=C1[C-]=C2[C-]=C3CC(=[B+])C(C=C4NC(=C=C5[CH-]C(=[B+])C(=CC1=N2)[N-]5)CC4=[B+])N3"]
["175689657","C1=C2CCC(=CC3=NC(CC3)C3CCC(=N3)C=C3CCC=1N3)[N-]2.[Na+]"]
["99568635","[B+]=C1C=C=C2OC(c3ccc(Cl)cc3)CC3(NC(=C)N=C3O)[C-]2C1"]
["184212007","CC[I+]NC1=C=C2N[N-]N=C2[CH-]C1"]
["156668296","Cc1ncsc1CN=C(O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21"]
["177028144","C.[B+]=C1[CH-]C(CN2CCC(NC3=CC(c4ccccc4[O-])=NC(=C=C[N-]C)C3)CC2)=C=CC1.[Er]"]
["173801152","[B+]=C1C(=[B+])C(=[B+])C(C=C=C([O-])NC2=NC3=C=C(C4=[C-][N-]CN4C)CC=C3[CH-][N-]2)C(=[B+])C1=[B+]"]
["184378383","CC1=C(C)C[C@H]2C(=C1)NC1C(O)=NC(=O)N=C1N2CCN1CCC2(CCN=C2O)CC1"]
["174402178","[B+]=C1C=C([I+]C2=[C-]C([S-])=CCC2[NH-])C=C(N)C1C.[V]"]
["179703662","[B+]=C1C=C2CCC3=C[C-](Cl)C=CC3=CC2NC1"]
["52114350","C1COC(C2=C3CCN=C3ON2)C1"]
["135326711","CC1CC(C(O)=NC2CCOC(c3ccccc3)C2)CC(C)(C)C1"]
["61380470","[CH+]=C1C=C2C3=CC(=[CH-])S[C]3C([Si-](=[CH+])([CH-])C3C(=[CH-])C=C4C3=CC=C3C=[C+]C(c5ccccc5)=CC34)C2=[S+]1"]
["180235330","C1=CC(C2=C(c3ccccc3)S[N+]3(S2)SC(C2=CC=IC=C2)=C(c2ccccc2)S3)=CC=I1"]
["145376916","Cl.OC(=Nc1ncc(-c2ccccc2)s1)C1CCNC1"]
["151272131","Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3c3cc(-c4ccccc4)cn32)cc1"]
["164306486","C(=Cc1cc(-c2ccccc2)c2ccccc2[s+]1)C=C1C=C(c2ccccc2)c2ccccc2S1"]
["96629582","CC12C=CC=CN1C(c1ccccc1)=CC2=O"]
["83382771","CC(Cl)C1N=C(O)C2C(c3ccccc3)=CSC2N1"]
["164563114","C1=C(c2ccccc2)c2[nH]c3ccccc3c2C(c2ccccc2)c2c1[nH]c1ccccc21"]
["90859001","O=c1c(Cc2ccc(C3NNNN3)cc2)c(-c2ccccc2)sc2ccccc12"]
["5634241","O=C([O-])c1ccc([C@H]2SC=C3Sc4nnc(-c5ccccc5)n4N32)cc1"]
["61590981","N#CC1C=C(c2ccccc2)C=C(c2ccccc2)N1c1ccccc1"]
["109135336","OC(CCc1nc(-c2ccccc2)no1)=N[C@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21"]
["96983078","CC1(C)Cc2cc3nc(cc4[n-]c(cc5[nH]c(cc1n2)cc5C(O)=[NH+]CC[N+](C)(C)C)CC4(C)C)C=C3C(=O)NCC[N+](C)(C)C"]
["MCULE-7814415926","CC1CN(C(=O)C(CSCc2ccccc2)N=C(O)c2ccc3cc[nH]c3c2)CC(C)N1c1ccccc1"]
["80519638","O=C(NCc1nc2ccccc2s1)c1ccc(CC2CCC(C(O)c3ccccc3)N2)cc1"]
["11917142","COc1nc(C)cc(C)c1CNC(=O)C(=O)Nc1cccc(COC(C)C)c1"]
["83865327","CCC1CC(O)=NC(n2nc(C)cc2NC(=O)CC(C)(C)C)N1"]
["162042797","Cc1cc(F)c2c(c1)O[C@H](C)CCCCOC1(C)CCN(CC1)c1c([C@H](OC(C)(C)C)C(=O)O)c(C)cc3nc(cn13)-c1cccc-2c1"]
["175420357","CNC1(C)CCc2c(-c3cc4ccc(N(CCO)C(=O)C5CCC(OF)CC5)cc4[nH]3)n[nH]c2C1"]
["185967792","Cc1cc(Oc2ccc(C(=O)N[C@H](C)C(=O)N3[C@H](C4(C)C=C(Cl)C=C(F)C4)CC[C@@H]3C(C)(C)C#N)nc2C)c(O)nn1"]
["17261884","CC1(C)CC(=O)c2cnc3c(C(O)=[NH+]CCCN4CCCCCC4)cnn3c2C1"]
["18626042","COCCCNC(=O)c1nc(CC(O)=Nc2ccc3cc[nH]c3c2)no1"]
["28297337","CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1"]
["176718414","COC(O)=NCC1OC(=O)N2c3ccc(-c4ccc(C5(C#N)C6CNCC65)nc4)cc3C[C@@H]12"]
["195969453","CCc1csc([C@@](C)(CC(C)(C)c2csc(C(C)C)n2)C(c2nc(C)c(C)s2)[C@@H](c2ncc(C)s2)[C@@](C)(CCc2cnc([C@@H](C)[C@@H](C)c3nc(C(C)C)cs3)s2)c2nc(C)cs2)n1"]
["122067257","CC(=O)c1cccc(OCC(O)CNC(C)(C)c2nc(C)cs2)c1"]
["131853661","CCc1csc(C2CCCN(C(=O)CCSc3nnnn3C)C2)n1"]
["134672557","Cc1cnc(C(C)NC(O)=NCCC(=O)N2CCCCCC2)s1"]
["8305810","Cc1ccc([NH2+]C(=O)CN(C)Cc2csc(C(C)C)n2)cc1"]
["13302581","Cc1csc([C@H](C)NC(O)=N[C@H](C)c2ccc(C)s2)n1"]
["105117630","Cc1csc([C@H](C#N)C(=O)CCn2nnc3ccccc3c2=O)n1"]
["76321728","Cc1ncc(COC(O)=NC(O)(CCc2ccccc2)CC(Cc2ccccc2)N=C(O)C(N=C(O)N(C)Cc2csc(C(C)C)n2)C(C)C)s1"]
["91723272","CC(C)c1nc(CSc2ncn(-c3ccccc3)n2)cs1"]
["175887082","CC(C)c1nc(CN(C)C(O)=N[C@@H](CCN2CCOCC2)C(=O)O)cs1.CC(C)c1nc(CN(C)C([O-])=N[C@@H](CCN2CCOCC2)C(=O)[O-])cs1.[Ba+2]"]
["34046673","CC[C@H](C)[C@H](N=C(O)OC(C)(C)C)c1nc(CCl)cs1"]
["124877196","Cc1cnc(C(C)CN=C(O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)s1"]
["46994384","C=C1C=CC(=[N+](CCCCCCC(COS(=O)(O)=NS(=O)(=O)C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2ccc([N+](=C)CCCCCCC(CS(=O)(=O)ON=S(=O)(OF)C(F)F)(C(F)(F)F)C(F)(F)F)cc2)C=C1"]
["102363447","COc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(O)=NCC(C)C)S(C)(=O)=O"]
["164865117","Cc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(O)=NCC(C)C)S(C)(=O)=O"]
["75364165","O=C(NC(CCCCCNc1ccccn1)(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O)C1=NOCC1"]
["80902371","CC(C)(C)OC(O)=NC(Cc1cccc(OC(F)(F)F)c1[N+](=O)[O-])C(=O)OCC(F)(F)F"]
["130176721","Cc1ccc(N=C(O)Cn2cc([N+](=O)[O-])ccc2=O)cc1OC(F)F"]
["181481277","CC(CCCCCCCCCCCCCC(O)=Nc1ccccc1ON=[N+]=[N-])S(C)(=O)=O"]
["171919324","Cc1ccc(C(=O)C[C@](CC(C)S(N)=O)(c2ccc(OCCCCCC(F)(F)F)cc2)C(F)(F)F)cc1"]
["181385507","CCCCCCC(CC(O)=NO)S(=O)(=O)c1ccc(OCCCC)cc1"]
["193454308","C.CC(C)OS(=O)(=O)N=S(=O)(OF)C(F)F.CCn1cc[n+](C)c1"]
["32177962","C=C(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)COCOC"]
["102468711","CCCN=C(O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O"]
["187200331","C[N+]1=C2[N-]C=CC=C2[N-][C-]1C1=C=C2B3C4=C=C(C5=C=C(C6=C=C7B8C9=C=C([C-]%10[N-]C%11=CC=C[N-]C%11=[N+]%10C)C=[N+]=C9Oc9cccc(c98)OC7[C-]=C6)[O+]=[C-]5)C=[C-]C4Oc4cccc(c43)O[C-]2N=C1.[Pt].[Pt]"]
["196474095","C1=C(c2ccccn2)C=[C-]C2Oc3ccccc3-c3ccccc3N(c3[c-]c(-c4ccccn4)ccc3)C=12.[Pt+2]"]
["187200367","Cc1cc(C)c(-c2c(C)nn(C3=C=C4B5C6=C=C(c7[c-]oc(C8=C=C9B%10C%11=C=C(n%12nc(C)c(-c%13c(C)cc(C)cc%13C)c%12C)C=N[C-]%11Oc%11cccc(c%11%10)OC9[C-]=C8)[c-]7)C=[C-]C6Oc6cccc(c65)O[C-]4N=C3)c2C)c(C)c1.[Pt].[Pt]"]
["170935373","CC(C)(C)C1=CC2=C[C@@H]3OC(C4=C=C(N5C6=C=C(c7cc(C(C)(C)C)ccn7)C=[C-]C6c6ccccc65)CN=C4)=N[C@@H]3[C-]2C=C1.[Pt+2]"]
["196495787","Oc1ccccc1-c1nc2c(n1-c1ccccc1)Oc1cccc3c1B2c1nc(-c2ccccc2O)n(-c2ccccc2)c1O3.[Pt]"]
["194032888","CC(C)(C)c1ccnc(OC2=C=C3B4C5=C=C(c6nccc7ccccc67)C=[C-]C5Oc5cccc(c54)OC3[C-]=C2)c1.CC(C)(C)c1ccnc(Oc2ccc3c(c2)B2c4cc(-c5nccc6ccccc56)ccc4Oc4cccc(c42)O3)c1.[Pt+2]"]
["172027999","C1=C(Oc2ccccn2)C=[C-]C2Oc3ccccc3N(c3[c-]c(-n4ncc5ccccc54)ccc3)C=12.[Pt+2]"]
["172010299","CC(C)c1cccc(C(C)C)c1-n1cnc(C2=C=C3C([C-]=C2)Oc2ccccc2N3c2[c-]c(-c3cn(-c4c(C(C)C)cccc4C(C)C)cn3)ccc2)c1.[Pt+2]"]
["196551573","CC1=C2C(=[O+]c3ccccc32)C([C-]2[N-]C3=CC=C[N-]C3=[N+]2c2ccccc2)=C=C1.[Ir].[c-]1ccccc1-c1ccccn1"]
["172158773","C1=C(OC2=C=C3C(C=C2)Oc2ccccc2N3c2nc3ccccc3[n-]2)C=[C-]C2Oc3ccccc3C(c3nc4ccccc4o3)C=12.[Pt+2]"]
["189841964","Cc1cc(C)c(N2c3cccc4c3B(C3=C=C(c5cc6ccccc6cn5)C=[C-]C32)C2=C=C(c3cc5ccccc5cn3)C=[C-]C2N4c2c(C)cc(C)cc2C)c(C)c1.[Pt+2]"]
["189841929","C1=C(c2ccccn2)C=[C-]C2Oc3cccc4c3B(C=12)C1=C=C(c2ccccn2)C=[C-]C1O4.[Pt+2]"]
["60094510","[B+]=BB1C(=C=C)CC/C(=C\\[C]2Cc3c(C)c(C)c(C)c(C)c3N2C)C(C)=C1/C=C/C=C1\\Cc2c(C)c(C)c(C)c(C)c2C1C"]
["43131417","[C-]#[N+]/C(C#N)=C1\\C=C(/C=C/c2cc3c4c(c2)C2(C)C[Si]5(CC=C(C)C5)CC2CN4CCC3(C)C)OC(C23CCC(C)(CC2)CC3)=C1"]
["190585957","Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2c1cc(C#N)cc(N2c3c(C)c(C)c(C)c(C)c3Cc3c(C)c(C)c(C)c(C)c32)c1-c1ccc(C#N)cc1C(F)(F)F"]
["47904806","CC1=NN(C)C(=O)C1=CC=CC=CC=C1Cc2c(C)c(C)c(C)c(C)c2N1C"]
["48676409","Cc1cc2c(s1)CC(C=C1Cc3c(C)c(C)c(C)c(C)c3N1C)=[N+]2C"]
["178824433","Cc1nc(O)nc(O)c1/C=C/C=C1/CC(O)=NC(=O)N=C1O"]
["194134758","[C-]#[N+]c1cc(-c2cc(N3c4c(C)c(C)c(C)c(C)c4Cc4c(C)c(C)c(C)c(C)c43)c(C3c4c(C)c(C)c(C)c(C)c4Cc4c(C)c(C)c(C)c(C)c43)cc2C)cc(C(F)(F)F)c1"]
["74068095","CCCN1C(=O)C(C#N)=C(C)/C(=C\\C=C\\c2c(C)c(C#N)c(=O)n(CCC)c2O)C1=O"]
["184495944","Cc1cc(C)c(C2CCC(C)N(C)c3c(C#N)cc(C#N)cc32)c(C)c1C"]
["195415732","CC.CC.Cc1c(C)c2c3c(c1C)Cc1c(C)c4c(c(C)c1C3c1c(C)c3c(c(C)c1C2)Cc1c(C)c(C)c(C)c2c1C3c1c(C)c(C)c(C)c3c5ccccc5n-2c13)C1c2c(c(C)c(C)c(C)c2-n2c3ccccc3c3c(C)c(C)c(C)c1c32)C4"]
["90497576","C=Cc1ccc2c(c1)N1CCCC(=CC=C3Sc4c(C=CC(F)(F)F)cccc4N3CC)C1S2"]
["70259844","Cc1c(C)c(C)c2c(c1C)CC(=CC=C(C=CC1=[N+](C)c3c(C)c(C)c(C)c(C)c3C1)C1C(=O)N(C)C(=O)N(C)C1O)N2C"]
["150048925","O=C(O)C(=Cc1sc2c(c1C(F)(F)F)c1nc3n4[nH]n5c6c7c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c7c5nc2n1Cn1c(c2c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c2c1=[NH+]C4c1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1-3)=[N+]=6)C(F)(F)F"]
["172555350","CC(C)(C)n1c(C(=CC2CCCC2)c2ccccc2)cc2cc(F)cnc21"]
["198429546","Cc1c(C(=O)Oc2ccccc2)c(OCc2ccccc2)c2c(c1C(F)(F)F)[C@H]1CCN[C@@H]21"]
["97941972","CCC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CCC[C@@H](N(C(=O)O)C(C)(C)C)C2)nc1"]
["69975474","COC(=O)c1nc(C(F)(F)F)n2c1C(CC1CC1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2"]
["170793412","Cc1cc(=N)[nH]c(-c2c(Cl)cc3c(N4CC5[C@@H]6C4[N+]56C(=O)/C(F)=C/c4nccs4)nc(OCC4CCCN4C)nc3c2F)c1C(F)(F)F"]
["MCULE-4822713760","COc1cccc(-c2c[nH]c(=NC(=O)c3ccc(C)s3)c(N3CCCC3)n2)c1F"]
["80080","CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4cnnc4)cc3n2n1"]
["31505796","COc1cc(F)c(-c2nc(C)c(C(=O)N3CCC(N4CCCCCC4)CC3)s2)cc1F"]
["108940880","Cc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CN(C(=O)C[C@H]1SC(=O)N=C1O)C3"]
["60377151","C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C(O)c3ccc(OCCCC)cc3)C2c2ccc(F)cc2)nc1C"]
["153228187","Cc1cnc(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cn1"]
["154441100","CCOc1cc(/C=N/Nc2cc(N(C)C)nc(N(C)C)n2)cc(Cl)c1OCCOc1cc(C)cc(CC)c1"]
["30398105","CCCn1c(COCC)nc2c(=N)[nH]c3ccc(OCCNC(=O)O)cc3c21"]
["186902840","COc1ccc(F)c2c1cc(C)n2CCN(C)c1cc(Cl)ncn1"]
["MCULE-1338287988","C=CCSc1nnc(C2CC2)n1N=Cc1ccc(OCC)c(OC)c1"]
["MCULE-1652522201","CCCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cc(OC)c(OC)c(OC)c2)C3=O)cc1"]
["MCULE-7682825464","CCOC(=O)N1CCN(C(=O)C(N=C(O)Cc2nc(-c3ccccc3Cl)oc2C)C(C)C)CC1"]
["MCULE-8431254958","CCCCN(C)Cc1cc(=O)c(OCC)cn1Cc1ccc(S(N)(=O)=O)cc1"]
["152256403","CCOc1cc(/C=N\\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12"]
["131744099","CCOC(=O)CC(O)=NCc1nc2ccc(C)cc2[nH]1"]
["68048530","CCCOc1ccc2nc(N(C)C(=O)[O-])[nH]c2c1"]
["MCULE-2479403486","CCOc1c(Br)cc(C2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCOc2cc(C)cc(C)c2)cc1OC"]
["18116342","CCCOc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(O)c1"]
["178108757","C=CC(=O)OOC1C[C@H]1/C=C\\[C@@H]1C=C(C#CC#CC/C=C\\[C@H](CCNOC(O)C=C)[C@@H](C)/C=C\\C)C=CC1C"]
["27699853","COC(=O)CN1CC[C@](NCC(O)C(Cc2cc(F)cc(F)c2)N=C(C)O)(c2cccc(C(C)C)c2)CC1=O"]
["34435534","COC(=O)/C(=C\\[C@H]1CCC[C@@H](C)[C@@H]1[C@H](C)C#N)[C@@H]1O[C@H](/C=C/[C@H](C)[C@@H]2O[C@@H]([C@H](C)OC)C[C@@H]2C)CC[C@H]1C"]
["180021857","C=CC1=C(C2CC2O)C(=O)N(C[C@@H](N=C(O)N[C@H](C(O)N2C[C@H](C(C)C)C[C@H]2C(O)=NC(CC2CC2)C(=O)C(N)=O)C(C)(C)C)C(C)(C)C)C1=O"]
["178257847","COC1=C(OC)CCC([C@H](CC2=C(Cl)C=[NH+]CC2Cl)OC(=O)c2ccc(C3C=CC(C=O)=CC3C)cc2)=C1"]
["181041763","C=CC(=O)Oc1ccc(COc2ccc(C(=O)O)cc2OC)cc1OC"]
["59445156","C=CCOC(=O)N1C[C@@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)C[C@H]1CCn1cnc(C=CC(=N)O)c1"]
["77004717","CC(=O)OC1CC(C)=CC(=O)C2(C)C(OC(C)=O)CC(O)(C(C)C)C12"]
["139413863","Cc1cc(C)c(C(=O)Nc2cccc(COCCOC(C)C)c2)[nH]1"]
["163967603","C=CCOCN1c2cc(OC)c([C@@]3(C(=O)OC)C[C@H]4CN(CCc5c3[nH]c3ccccc53)C[C@](O)(CC)C4)cc2[C@@]23CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@](O)(C(=O)OC)[C@H]12)[C@H]43"]
["99058212","CC#CC[C@@H](C)[C@H](O)C=C[C@@H]1[C@H]2CC(CCCCC(=O)N3CCOCC3)=C[C@H]2C[C@H]1O"]
["75728311","COc1ccc([C@@H]2CN(C3CCCCC3C(C=O)OC(C)=O)C[C@@]2(C)[C@@H](C)O)cc1OC1CCCC1"]
["176516070","CC(O)CN(CC(O)N(CC(=O)N(CC(O)N(CC(C)O)CC(O)N(CC(=O)N(CC(=O)N(CC(N)O)C(C)C)C(C)C)CC(C)O)C(C)C)C(C)C)C(=O)CN(CC(C)O)C(C)CN(C(=O)CNC(C)C)C(C)C"]
["81704582","CC(C)NCC(=O)N(C)CC1=NC(=O)C2SC=CC2=N1"]
["3442408","CCCC(=O)N(CC(=O)N(Cc1cccn1Cc1cccc(OC)c1)[C@@H](C)CC)C(C)C"]
["10784921","COCCN(Cc1cccn1C)C(=O)CN(C(=O)C[C@H](C)CC(C)(C)C)C(C)C"]
["134304579","C[C@@H](NCC(=O)N(C)CC(O)=Nc1ccccc1Cl)c1ccccc1"]
["146976026","CCCN(C)CC(=O)N(CC(=O)O)C(C)C"]
["174404452","C[NH2+]C(C)(C)CCN(C(=O)CCCCCCCC(C=O)CNC1CC(C)(C)N(C)C(C)(C)C1)C(C)C.[Li+]"]
["119131004","Cc1cc2cc(C(=O)N(CC(C)O)C(C)C)oc2cc1C"]
["164354465","C=C(C)CCN(C)C(=O)CNC(C)C"]
["79827276","CC[C@H](C)C/C=C/CC(=O)N([C@H](C)CC)[C@](CCO)(NC[C@@H](N)CS)C(=O)O"]
["93817889","CCN(CC)C(=O)CNC(C)c1ccoc1"]
["65355067","CCCCCN(C(=O)CNC(C)C)C(C)C"]
["195422881","C/C=C\\C(=C\\C1=C(C)OC2=C3[B-]1=C1C=C4C=CI=CC4I=C1OC3=IC=C2)C(=C/C)\\C=C\\C"]
["173733243","CC=CC(=C/CC)/C(C(=C/NCc1cnc(C2CC2)c(C)c1)/C(/C=C\\C)=C(/C)CC)=C(/C)CC"]
["97377143","C/C=C/C(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O"]
["76816982","CC1=CC2=C(C=O)C3=C(C(=O)CCCCCC(C)O)C(=O)OC3(C)C(O)C2=CO1"]
["76824536","CCC1=CC2=NC(=O)C(CC=CC(=O)OC)=C(C)C2C=C1"]
["170235972","C=c1cccc/c1=C(/C=C\\C)N1C[C@H](CN2CCNCC2)O[C@H](C)C1"]
["104345201","CCC[C@@H](N=C(O)[C@H](C)OC(=O)/C=C/c1ccc(C)o1)c1ccccc1"]
["84424343","CC=CC(O)=Nc1ccc(C)cc1C"]
["108021323","Cc1cc(C)c2[nH]c(CN3CCOC[C@H](CO)C3)cc(=O)c2c1"]
["180003673","CC(C)=Cc1c(C)oc2c1C=C(C)C=CC2"]
["49647732","C=CCN1C(=O)C2=C(C(=C3C=C(C)C=C(C)C3=O)NN2)C1c1cccc(O)c1"]
["145558168","C/C=C/C(=NC(O)C/C=N\\N1C(C)=CC(C)=NC1C)NO"]
["150025033","C#Cc1cnc(N=C2C=CC3=NN=CC3=C2)nc1NC1=CC(C2CC2)=C[NH2+]1"]
["172205977","C#Cc1cnn2c(=NC3CCc4[nH]c5ccccc5c4C3)[nH]c(-c3cncc(F)c3)nc12"]
["150285366","C=C(C)N1CCC(c2cc(Nc3cc(C#N)ccn3)nc(C3CC3)c2)CC1"]
["MCULE-8935003428","Cc1ncc(C#N)c(N=C(O)COC(C)C2CC2)n1"]
["140858665","Cc1cccc(N=C(O)[C@H]2CCCN(C(O)=Nc3cnc(C4CC4)nc3)C2)n1"]
["75592758","C#Cc1cnc(-c2ccc(S(C)(=O)=O)s2)nc1N=C1CC(C2CC2)=NN1"]
["145331309","CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cc(CC(C)C)nc(O)n1)CC2"]
["171473923","O=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)cs3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)o2)c1"]
["130739028","OC(=Nc1cnc(C2CC2)nc1)NC1(c2cccc(Br)c2)CC1"]
["163377235","CN1CCCC(c2cnc(C#N)c(N)c2)C1"]
["178497241","N#Cc1cnc(-n2cc(CN3CCN[C@H](C4=C(N)C5COC(=O)C5CC4)C3)oc2=O)cc1N=O"]
["70290062","OC(N=C1C=CC2=NC(C3CCC3)=NC2=C1)=C1C=CN(O)C=C1"]
["190653166","[B+]=P(CC[C@H]1CCCP1(=[B+])c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(P(CC[C@H]2CCC[P@@]2c2ccccc2)c2ccccc2)cc1"]
["34697012","[2H]CC(O)CCP(=O)(c1ccccc1)c1ccccc1"]
["99461791","[B].c1ccc(C2CCC[P@]2c2ccccc2)cc1"]
["170657680","c1ccc(P(CN(CP(c2ccccc2)c2ccccc2)c2ccc(Cc3ccc(N(CP(c4ccccc4)c4ccccc4)CP(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1"]
["136901708","Cc1ccc(NCC(O)=NCC2(c3ccccc3)CC2)cc1"]
["143826910","Cc1nc(C2(NCC(O)=NC(c3ccccc3)C3CC3)CCC2)no1"]
["136649579","CSCC1CCCN1CC1=Cc2ccccc2OC1"]
["108976016","COc1cc(C(O)=NC2C[C@@H]3CCC[C@@H](C2)N3CC(O)=Nc2ccccc2)cc(OC)c1OC"]
["170529609","C(CP(C1CCCCC1)C1CCCCC1)=N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1"]
["143043981","CN=C(O)c1ccc(OC)c(N=C(O)N(CC2CCC2)C(C)c2ccccc2)c1"]
["21956215","COc1ccc2ccccc2c1[C@@H]1C=C(c2ccccc2)N=C2N=C(O)N=C(O)[C@H]21"]
["174783842","C=CCP(=O)(Oc1ccccc1)OC1CCCCC1"]
["179583818","CCN=C1c2c(C)c3c(c(C)c2C2SC(c4cc5sc(C(F)(F)F)cc5s4)=CC12)C(=N)c1cc(-c2c#cc4cc(C)sc4c2)sc1-3"]
["179016482","N#C/C(=C1/c2sc(-c3c(F)c(F)c(F)c(F)c3F)cc2/C(=C(\\C#N)c2cc(C#N)c(F)cc2F)C2SC(c3c(F)c(F)c(F)c(F)c3F)=CC12)c1cc(C#N)c(F)cc1F"]
["11176130","CCC(CC)=NN=C1N=C(O)[C@H](CC(O)=Nc2ccc(Cl)cc2C(F)(F)F)S1"]
["46557529","CCN(CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cc(C)sc4C)n3)c2C)C1"]
["162021939","CCN=c1[nH]c(=N)[nH]c(-c2cnn(C)c2C)c1C(F)(F)F"]
["149583149","Cc1nc(OCC(F)(F)F)cnc1C(O)=Nc1cc(F)c(F)c([C@@]2(C)NC(=N)S[C@@]3(CF)CC32)c1"]
["149928094","Cc1nc2c(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C(C)(C)c6cc7sc(-c8ccc9c(c8)C(C)(C)c8cc(C(C)(C)C(C)(C)C)ccc8-9)cc7s6)ccc4-5)s3)sc(-c3ccc(C(C)(C)C(C)(C)C)s3)c2nc1C"]
["34123713","CCSC[C@@H](C)N=c1[nH]c(C)c(-c2nc3c(C)nccc3s2)c(=N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)[nH]1"]
["113677525","CCN=c1[nH]c(C)nc(-c2cnc(C(F)(F)F)s2)c1C"]
["148684975","Cc1cc2sc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2s1"]
["MCULE-9133204901","Cc1nnc(N=C(O)CCc2ccc(F)c(-c3cc(C(F)(F)F)nn3C)c2)nc1C"]
["164063952","C/C=C/C1CCC(C2CC=C(c3cc4ccc(OCC)c(C(F)(F)F)c4s3)CC2)CC1"]
["172093019","[Si]=C1[C-]=CC([N+](=C2C=CC(=[Si](Cl)Cl)C=C2)c2ccc([Si](Cl)(Cl)Cl)cc2)C=C1"]
["50419918","N=C(N)c1cnc(Oc2ccc(Cl)c3ccccc23)cn1"]
["171244962","CC(C)(C)[Si](C)(C)Oc1ccccc1[C]1C=CC(=[Si](Cl)Cl)C=C1"]
["66351348","C[C]1C=CC(=[Si](Cl)c2ccccc2)C=C1"]
["167289946","CC(C)(C)[Si](OCC1C=CC=CC1)(c1ccccc1)c1ccccc1"]
["120539565","Clc1ccccc1C1=NC2CNCCC2O1"]
["104965088","O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccncc1"]
["166804773","Clc1cnc(N[C@@H]2CCC[C@H](NC3CCNC3)C2)nc1-c1c[nH]c2ccccc12"]
["90551785","N#Cc1c(C2CCNC2)nc2n[nH]cc2c1-c1ccccc1Cl"]
["34256658","CC(C)(C)[Si](O[C@H]1C=C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H]1O)(c1ccccc1)c1ccccc1"]
["52680667","O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1[C@H](Cc1ccccc1)C(O)=Nc1ccccc1Cl"]
["89147494","COc1ccc(C2C=CC(=O)O2)cc1Cl"]
["181206379","[N-]=[N+]=Nc1c(SCCCCCCc2ccccc2)c(SCCCCCc2ccccc2)c(SCCCCc2ccccc2)c2c(SCCCc3ccccc3)c(SCCc3ccccc3)ccc12"]
["183511830","CCCCCCCCCc1cccc(N(N=[N+]=[N-])c2ccccc2)c1CCCCCCCCC"]
["10500857","C[C@@H](CCc1ccccc1)N=C(O)c1nnn(-c2ccc(F)cc2)c1CSc1ncccn1"]
["96080224","CC(CCCCc1ccccc1)(C(=O)O)C(O)=NC1CC1"]
["MCULE-6355646043","CC(C)(NS(=O)(=O)c1ccc(Cl)cc1)C(O)=NCCCCc1ccccc1"]
["70628891","O=C(O)CC(N=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=NCCCCc1ccccc1"]
["128772708","O=C(OCCCOCCc1ccccc1)C1CC(O)=Nc2cc(F)ccc21"]
["9950631","Cc1c(O)nc2nnc(SCC(O)=NCc3ccccc3)n2c1C"]
["82641338","CC(COC(=O)C(=O)OCC(C)CC(N)c1ccc(C#CCCCc2ccccc2)s1)CC(N)c1ccc(C#CCCCc2ccccc2)s1"]
["77149844","[N-]=[N+]=Nc1ccccc1C1OC(c2ccc(OCCCO)cc2)=NC1(Cc1ccccc1)C(O)=NNCCc1cc(F)cc(F)c1"]
["60706722","O=C(O)CCCCSc1cccc[n+]1[O-]"]
["68759707","CCCCc1ccc(C(=O)N(CCCCCCN)C(C)c2nc(O)c3ccccc3n2)cc1"]
["176342627","CC(C)/C=N/N=C1\\SCC(=NCC(C)/C=N/N=C2\\OCC(=NCC(C)/C=N/N=C3\\SCC(=NC#N)N3C(C)C)N2C(C)C)N1C(C)C"]
["133213496","CC(C)Cc1ncc(CN2CCSCC2)s1"]
["108374967","CCn1c(S[C@@H](C)C(O)=Nc2oc(C)c(C)c2C#N)nnc1[C@]1(C)COc2ccccc2O1"]
["144901409","CC(CC=O)c1ccc2c(c1)OC(C)(C)CC2"]
["162573831","CC(C#N)CN=c1nc(C(C)C)[nH]s1"]
["113421221","CC(CC#N)Cc1nc(C2CSCCN2C)no1"]
["11146202","COc1ccc(C(O)=N[C@@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1"]
["MCULE-2644222014","CS(=O)(=O)N1CCC(N=C(O)Cc2cccc(-c3cccc(F)c3C#N)c2F)CC1"]
["122412380","CC(CN=C(O)C1(F)CCNC1)N1CCc2ccccc21"]
["133922651","COCCN=C(O)C(C)N1CCN(c2cccc(F)c2C#N)CC1"]
["79503848","CN1/C(=N/C#N)COc2cc([N+](=O)[O-])ccc21"]
["15315347","COCCn1c(C)cc(/C=C(\\C#N)C(=O)O[C@@H](C)C(O)=NCc2ccco2)c1C"]
["31081998","Cc1cccc2c3c(ccc12)OS(=O)c1ccc2c(C)cncc2c1-3"]
["77788846","Cc1cccc2c(=O)n(CCCC(=O)N(CC3N=C(O)C4CCCCC4N3)CC3CCCO3)cnc12"]
["144828556","CNCCCn1cnc2cccc(C)c2c1=O"]
["190338311","Cc1ccc2c(c1-c1ccc3c4ccccc4c4cccc5c4-c4c(cccc4c3c1C)c1ccccc1c1ccccc51)Oc1ccccc1C21c2ccccc2Sc2ccccc21"]
["423537","Cc1cncc(-c2c(C#N)c(=O)oc3c2ccc2c3ccn2C)c1"]
["66118904","CC1=CSC(=O)C1=C1Nc2ccncc2N1"]
["185718823","Cc1c(C(=O)[O-])c2ccc(-c3cnccn3)cc2n1C(C)C1CCOCC1"]
["29186797","Cc1cccc2c(Cl)c(NS(=O)(=O)c3cccc4cccnc34)ccc12"]
["155825279","CCn1ncc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCOCC2)c1C"]
["123727725","Cc1c[nH]c2c(C)cccc2c1=NCC1(O)CCOCC1"]
["87984428","Cc1nc(C)c(N)c(-c2c[nH]c3ccccc23)n1"]
["20303683","CCOc1cccc2cc([C@H](C)n3c(S)nc4ccccc4c3=O)oc12"]
["74247907","Nc1nc(N)c(C(O)=NC2=NCC3(CCN(S(=O)(=O)C4=CC=C(Cl)N5ONC=C45)CC3)N2)nc1Cl"]
["109915688","Cc1oc(C(=O)N2CSC[C@H]2C(O)=NC(C)(C)C)cc1S(=O)(=O)N1CCCC1"]
["73954648","C=CC(O)=NC1(C)CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1"]
["186973961","CN=CN=C(N)c1ccc(C2=CCN(C(=O)CN3CC[C@]4(CCN(c5ccc(N)c(C(=N)c6cnn(C(C)C)c6)n5)C4=O)C3)CC2)cc1"]
["177763128","NC(=Nc1ccc(F)c(Br)c1)c1no[nH]c1=NC1CC2(C1)CN(S(N)(=O)=O)C2"]
["132965331","CC(O)=Nc1cc(F)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1Cl"]
["10123296","Cc1cnc2c(S(=O)(=O)N3CCO[C@@H](C(=N)O)C3)cccc2c1"]
["17737207","Cc1c(Cl)cccc1N=C(O)CSc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1"]
["179158799","CC(C)(CCCNC(=N)N=C(O)c1nc(Cl)c(N)nc1N)CC(C)(C)CCC(O)=NCCN"]
["135929829","Nc1nccnc1C(O)=Nc1cccc(Cl)c1SCC(F)F"]
["81277252","O=C(Nc1ccc(CC(N=C(O)C2C3CCC(CC3)N2S(=O)(=O)c2ccccc2Cl)C(=O)O)cc1)c1cc(Cl)nc(Cl)c1"]
["10427285","CC(O)=NC/C(C)=N/N=C(O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1"]
["33974362","O/N=C1\\Cc2ccc(cc2)Oc2cc(ccc2O)C/C(=N\\O)C(O)=NCCc2ccc(cc2)Oc2cc(ccc2O)CCN=C1O"]
["154189275","CCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(CO)c2/C=C/[C@@H]1O"]
["158680098","Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1N(C)C"]
["1025115","O=S(=O)(NC1=NCCCCC1)c1cccc(N=C(O)CCl)c1"]
["200369328","N#CC(=CNc1cccc2c1CCN=C2O)c1nn[nH]n1"]
["53591052","O=C(c1ccc2c(c1)C(O)=NCC2)C1CCNCC1"]
["142518335","O=S(=O)(c1ccc2c(c1)C(O)=NCC2)N1CCCCC(N2CCCC2)C1"]
["175995665","CCCCN(C)C=O.N=Cc1cc(Nc2ncnc3sc4c(c23)CCCC4)c(O)[nH]c1=N"]
["160981344","OC1=NCCc2c(N=C(O)N3CCOC4(CCC4)C3)cccc21"]
["96238476","CN=C(O)c1ccc(N)cc1N(C)C1CCC1"]
["117335605","CCOc1cc(C2NN=C3C4CCN(CC4)C32)ccc1O"]
["180477492","OC1=NCC(CN=c2cc(-c3ccccc3)n(-c3ccccc3)[nH]2)CC1"]
["180385047","Cc1nc(F)c(F)n1-c1cc(=[F+])cc2n1-p1c3nc(F)c(F)n3c3cc(=[F+])cc(n31)C2(F)F"]
["MCULE-7970887202","COc1cc(F)cc(-c2ccc3nc(=NC(=O)c4ccncc4C)[nH]n3c2)c1"]
["180603479","Cc1cc(=O)n(-c2ccc(NCCC34CC5CC(C3)C(C5)C4)c(F)c2)c(C)n1"]
["177832239","Cc1nc2ccc(F)cc2nc1-c1cc2nc(Cl)cc(N3CC(C)(C)OC3=O)n2n1"]
["149025607","COCc1nc(C)c(CN=C(O)c2nc3ccc(C)cn3c2F)s1"]
["86837096","CCn1ncnc1COc1cc(F)cc(C#CCN)c1"]
["22904935","CCc1cc(C(F)(F)F)n2nc(C3CCCN3Cc3ccccn3)cc2n1"]
["MCULE-2902405150","Cc1cc(C(=O)N=c2nc3ccc(-c4cccc(C#N)c4F)cn3[nH]2)on1"]
["MCULE-3747358407","COc1ccc(C(=O)N=c2nc3ccc(-c4cccnc4F)cn3[nH]2)cc1"]
["138537820","Cc1nc2cc(O)nn2c(C)c1CC(O)=NCc1cn(C)nc1C(F)(F)F"]
["22615380","Cc1nc2cc(O)nn2c(C)c1CC(O)=Nc1c(-c2ccccc2)nc(C)n1C"]
["7191507","COc1ccc2nc(-n3cncn3)cc(C)c2c1"]
["184439338","OC1NC(C2=CC(F)C(F)C=C2F)NC2CSCC12"]
["MCULE-2103730319","O=C1CC(C(O)=Nc2cc(F)c(-c3ccc(F)nc3)c(F)c2)C1"]
["51473049","Oc1ccc2c(c1O)C[C@@H](c1ccccc1)O[C@H]2[C@H]1CCCN1"]
["195350009","CC1C=C2C(=CC1)C(=O)C1N[C@@H](O)C=CC21"]
["162591072","O[C@@H]1C=C(c2ccc(F)cc2)[C@@H]1O"]
["180255256","C[C@H]1OC(N2C=C(F)C(=N)NC2O)CS1"]
["96199919","CC1CCSCC(C2CCOC2)N1"]
["19028131","C[NH+](C)CC[NH2+][C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O"]
["159173496","Cc1ncc(=NC2CSC2)[nH]c1C"]
["91587314","FC1=CC(CBr)CC=C1Cl"]
["178758765","O=S(=O)(N=c1[nH+]c[nH]s1)c1cc(F)c(O)cc1F"]
["180618168","CC(=O)N1N=C(c2cc(F)ccc2C)SC12C(C)NC1CSCC12"]
["178562730","C=C[C@]12CC[C@@H](C)[C@]3(C)C[C@@H]4CC(C)(C)O[C@@](C)(O[C@](I)(OCCNCCO[C@H]5OC[C@@]67OOC(C)CC[C@@]6(C)[C@H](C)CC[C@@]7(C)[C@H]5C)[C@@H]1C)[C@@]32O4"]
["194870152","CC1=C2C[C@]34[C@]5(CC[C@H]6C[C@H]7CC[C@@H](C)O[C@H]7C[C@H]65)C[C@@H](C)[C@@]2(CC1)[C@@]3(C)CC=C[C@@]41C=C[C@@H]2[C@@H](CCCO)CC[C@@]23CN31"]
["185502262","CNC1(COC2CCC34COC(OC)C2(C)C3CCC2C4=CCC3(C)C(C(=O)O)C(C)CCC23C)CCOCC1"]
["161956871","C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)C(C)CC[C@@](CCC(C)=O)(C2C)[C@@H](C)[C@@H]1O"]
["200465376","C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@@]2(C)[C@@H]3[C@H](O)CC[C@]3(CC[C@@H]2C)[C@@H](C)C1=O"]
["77071866","C=C1C(=O)C23CC1CC1OC4OC5(C)OCC6(C(CCC5(C)C46)OC2=O)C13"]
["177939867","CCCNCCOC1CCCCO1"]
["68311864","C=CCNCCOC1CC(C)CC(C)(C)C1"]
["32681849","C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)C(N)C(=O)N2CCN(C)CC2)[C@@]2(C)C3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O"]
["29818414","CO[C@@H]1C[C@@]23COC[C@@](C)([C@@H]2CC[C@H]2C3=CC[C@@]3(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]23C)[C@H]1OCCNCCCN"]
["168631647","C=C[C@@]1(C)C[C@H](OC(=O)CSCCN(CC)CC)[C@@]2(C)C(C)CCC3(CCC(=O)C32)[C@H](C)[C@H]1O"]
["160456234","CC1(C)CN(C(O)=NC2CCOC3(CCOC3)C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1"]
["54211143","Clc1cccc(Cl)c1C1=C2C=CC(=N2)C(c2c(Cl)cccc2Cl)c2ccc([nH]2)C(c2c(Cl)cccc2Cl)=c2ccc([n-]2)=C(c2c(Cl)cccc2Cl)c2ccc1[n-]2.[Mn+2]"]
["21854269","O=C1C2=C(Nc3nc(O)nc(O)c3[C@@H]2c2c(Cl)cccc2Cl)c2ccccc21"]
["24076987","O=C(O)CCc1nc(-c2c(Cl)cccc2Cl)no1"]
["MCULE-9739579595","COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)C1c1c(F)cccc1Cl"]
["148790054","CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)C1CCc2cccc(Cl)c21"]
["MCULE-4628058406","O=C1C(NCCCc2nc3ccccc3[nH]2)=C(c2c(Cl)cccc2Cl)C(=O)N1CCc1ccc(Cl)cc1"]
["MCULE-6869133783","COc1ccc(C2C(C(=O)N3CC(O)C3)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)c(OC)c1"]
["MCULE-5261596023","O=C1C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2c(Cl)cccc2Cl)C(=O)N1Cc1ccc(Cl)cc1"]
["MCULE-4734778760","CCCCCC(CC)N=C(O)C1=C(N)Oc2c(c(CCC)nn2CCC)C1c1c(Cl)cccc1Cl"]
["134687848","CC(C)N(C(=O)C1CC1c1c(F)cccc1Cl)C(C)C"]
["MCULE-8586040422","Cc1ccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(C3CCN(C)CC3)C2=O)c([N+](=O)[O-])c1"]
["9199370","COCCOC(=O)C1=C(C)N=C(S)N[C@H]1c1c(F)cccc1Cl"]
["170121739","N#CC(N)=c1c(F)c(F)c(=C(C#N)NNc2cc3c4cc(C#N)c(=N)[nH]c4c4[nH]c(=N)c(C#N)cc4c3nc2N)c(F)c1F"]
["175748186","CP(C)(=O)c1c(C#N)ccc2c(-c3nc(N[C@H]4CC[C@H](N)C4)ncc3C(F)(F)F)c[nH]c12.O=CO"]
["167532062","CC(C)(C)OC(=O)n1cc(C#N)c(=N)[nH]1"]
["162156014","N#Cc1c[nH]c(OC2CCCC2)nc1=N"]
["MCULE-4710065862","Cc1ccc(F)cc1-c1cccc(C(O)=Nc2ncc(C#N)cn2)c1F"]
["MCULE-7293995662","Cc1cnc(N=C(O)c2cnn3cccnc23)c(-c2cccc(C#N)c2F)c1"]
["171476719","Cc1cc(F)ccc1-c1nc(S(=O)(=O)CCN2CCOCC2)[nH]c2ncc(C#N)c1-2"]
["96412047","Cc1c[nH]nc1NS(=O)(=O)c1ccc(F)c(C#N)c1"]
["114004477","Cc1cccc(C#N)c1NCc1c[nH][nH]c1=N"]
["186053301","Cn1cc(C(=O)C(=O)NC2(c3cnn[nH]3)CS(=O)(=O)C2)cc1C(O)=Nc1ccc(F)c(C#N)c1"]
["186866856","CC1CCC(CN)CN1c1c(C#N)cnc2c(F)c(F)c(F)cc12"]
["155183857","C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1"]
["178817401","N=CC1CCC(OP(N)NPOC2CCC(/C=N\\N[P+](S)(OC3CCC(CCN=PO)CC3)OC3CCC(CCN(CPO)CP(O)N=O)CC3)CC2)CC1"]
["178877922","C#CCSC(=[NH2+])N/N=C\\C1CCC(OC)CC1"]
["44973209","CC1CCC(CCN=C(O)CC(C)CC(=O)O)CC1"]
["112515671","COC(=O)c1cc(=NCCC2CC2)[nH]cc1N"]
["98787778","Cc1ccc(NC(CC(=N)C(C)(C)C)=NC(=O)CC2CCC(Oc3ccc4nnc(C(C)C)n4c3)CC2)cc1"]
["132689471","CCOc1ccc(N=C(O)N(C)CCC2CC2)c(C(F)(F)F)c1"]
["43604575","C=CCCC1CCC(OC(=O)c2ccc(/C=C/C3CCC(C=C)CC3)cc2)CC1"]
["131089647","COC(=O)c1cc(Br)c(NC(O)=NCCC2CC2)s1"]
["27680653","CC(O)CN(CCC1CCC(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)CC(C)O"]
["160867774","COC1CCC(CCN=C(O)N[C@@H]2COC[C@H]2O)CC1"]
["180870119","C=CC(=O)N1CCC[C@@H](OCC(=N)c2c(Nc3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)cc[nH]c2=N)C1"]
["127279125","CC(O)=NCCN=C(O)CCC(=O)N(C)CCC1CC1"]
["184141574","CC(C)(C1=[N+]=CC=C1)c1cc(C#[NH+])cc2c1P1N3C=CC=CC3=C3C=CC=C2N31"]
["97607359","CC(C)(C)N1C=C2C=CC=CN2P1N([Si](C)(C)C)[Si](C)(C)C"]
["186498057","CC(C)C1=CCN2C=CC=CC2=C1C(C)(C)C"]
["175191053","C=CC.[B+]=C1C=CC=C(OC)C=CC=[C-]C1"]
["174081064","CC1=CC(C#N)=C2C=CC=CN2C1"]
["183869969","CC(C)(C)NN=NC1CCN(c2ccc(C#[NH+])cn2)CC1"]
["175497167","Cc1ccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)cc1C(C)(C)c1cc(-c2ccc3c(c2)-c2ccccc2C3(C)C)ccc1C"]
["20392155","CC(C)(C)c1nnc(CN2CCN(c3cc(C#[NH+])ccn3)CC2)o1"]
["29729347","Cc1nccc2c1C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC21"]
["180675208","C=C(CC)N1C[C-]=CC=C1N=C=NC(=[NH2+])C(C)(C)C.[Rh]"]
["17977476","CC(C)(C)CCNCc1ccc(C#[NH+])cc1"]
["21160979","[H+].[H+].[NH+]#Cc1cc([N-]S(=O)(=O)N2CCCCCC2)ccc1F"]
["171893046","NC1=C2C([O-])=CC(S(=O)(=O)[O-])C=C2C=C=C1.[Na+].[Na+]"]
["119360028","CS(=O)(=O)Cc1noc(-c2ccc(I)c(N)c2)n1"]
["65432651","CC1CN(S(=O)(=O)c2c(N)cccc2Cl)CC(C)S1"]
["70062815","CS(=O)(=O)NC1=CC2C(=O)N=CN=C2C=C1"]
["91045428","CCCS(=O)(=O)c1ccc(N)c(OC)c1.Cl"]
["MCULE-9268896917","N#CC1C(c2ccc(S(N)(=O)=O)s2)C1(F)F"]
["198926161","CS(=O)(=O)CCCS(=O)(=O)Cc1ccsc1Cl"]
["170482243","Nc1ccccn1.[NH3+]c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1"]
["59300860","Nc1cc(S(=O)(=O)O)c([O-])c2c1C(=O)c1c(N)cc(S(=O)(=O)O)c([O-])c1C2=O.[Na+].[Na+]"]
["74868830","C[C@@H]1CC=C(S(C)(=O)=O)C=C1N"]
["172542860","O=S(=O)([O-])C1CCCc2ccccc21.O=S(=O)([O-])C1CCCc2ccccc21.[Fe+2]"]
["163276591","CCc1csc2c(N)cc(CC#N)cc12"]
["19570969","[O-]C(CC1=CSC(=C2N=CN=N2)N1)=NCc1ccc(C[n+]2ccc[nH]2)cc1"]
["80215856","Cc1ccc(CN=C(O)C[N+]2=C3C=CSC3C(=O)N(CC(C)C)C2=O)cc1"]
["23256246","O=C(O)c1ccc(CN=C(O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1"]
["99413265","N#CC1=CC(=O)/C(=C2/NC(Cc3nc(-c4ccccc4)no3)=CS2)N=C1"]
["127298833","CC(O)c1ccc(CN=C(O)C(CN)c2ccccc2)cc1"]
["79411925","CC(O)=NCc1ccc2c(c1)/C(=C(\\C)c1ccc[nH]1)C(O)=N2"]
["143325893","CS(=O)c1ccc(CN=C(O)Nc2cnn(-c3ccccc3F)c2)cc1"]
["138021450","CCc1nc(C(C)NCC(O)=NCc2ccc(F)cc2)cs1"]
["MCULE-2038270375","Cc1cc2ncc(C(O)=NCc3ccc(-c4ccccc4C(F)(F)F)cc3)cn2n1"]
["116256328","CCCN(CCC)c1cc(C(O)=NCc2ccc(OC)cc2)nc(C)n1"]
["108748598","CCN(CC)S(=O)(=O)c1ccc(CN=C(O)N[C@@H](CN(C)C)c2ccccc2)cc1"]
["200525729","CC(=O)SCC#Cc1ccc[n+]([O-])c1"]
["175725793","[O]N(N=NN=c1ccc[s+]s1)N=NC1=CC=CSS1"]
["173353435","O=CCC1=CC=CSS1"]
["50292284","CN(C)C(=O)C1=CC=CC(=NC2=C(N[C@@H](c3ccccc3)C(C)(C)C)NS(=O)N2)C1=O"]
["146201745","CC(C)C(N)CCN(C)C(=O)Cc1ccc(Br)s1.Cl"]
["84451830","CC(c1cccs1)N(C)c1ccc([C@@H](C)N)cc1Br"]
["63725767","CN(C)C(=O)C1=CC=C/C(=N\\C2=C(N[C@@H](c3ccc4c(c3)OC(F)(F)O4)C(C)(C)C)NS(=O)(=O)N2)C1=O"]
["184307910","CN(C)C(=O)C1C=CC=C(C2=Cn3nc(N)c(-c4ccccn4)c3NC2)N1"]
["45966816","O=C1OCCN1c1ccccc1C1=CC=CSN1"]
["134038484","CC(NC(=O)C(=O)N=c1[nH]n(C(C)C)cc1C#N)c1ccc(C(F)(F)F)cc1"]
["MCULE-4088160171","Nc1ncccc1-n1cc(C=NO)c(C2CC2)n1"]
["171412906","N#CCC1=CC2C=CC=CC2N=C1c1cccc2c1CCCC2"]
["175134963","CN(C)C(=N)/C=C\\C(N)=C1\\C=CN2C(=C1)NC=C2c1cccc(N)c1"]
["178250085","[B+]=[O+]C1=C(I)[CH-][C-](I)C(C2=C(I)[CH-][C-](CC)C([O+]=[B+])=C2I)=C1C"]
["107781052","CC[C@H](N)C1=NNC(=C2N=CC=N2)O1"]
["159315872","CCc1cc(I)cc(C)c1CN"]
["180724449","[CH+]=c1c(F)c(F)c(=C2C(I)=C(I)C(I)=C(F)[C-]2F)c(C)c1I.[Tl].[Tl]"]
["107233129","CCCc1c([C@H](C)N)oc2c(C)cc(C)cc12"]
["112955728","Cc1oc(C)c(S(=O)(=O)NCc2nccn2C)c1CN"]
["112987578","CCC(C)N(C)CCNS(=O)(=O)c1c(C)oc(C)c1CN"]
["119336778","CCOC(=O)c1c(I)cnn1[C@@H](C)CN"]
["185810326","[B+]=[O+]C1=C(I)[CH-][C-](C)C(C2=C(I)C([O+]=[B+])=C(I)[CH-][C-]2I)=C1I"]
["197617166","CCOC(=O)C(N)Cc1c(F)cnc(Br)c1F"]
["120447331","CCCC(C)C(N)c1cc(I)cc2c1OCC2"]
["56843725","COCCSC(CN)c1ccc(C)o1"]
["174264070","CC1=CC(=c2ccc(=CC=C3C=C(C(F)(F)F)NC([O-])=[NH+]3)o2)C(C)=CC1=I[N+](=O)[O-]"]
["84376569","Cc1ccc2[nH]nc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c2c1"]
["110932427","CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)oc1=O"]
["85395683","O=[N+]([O-])c1ccc2[nH]c(=NCCC(F)(F)F)oc2c1"]
["142895102","Cc1nc(C(F)(F)F)ccc1C(O)=NCc1ccc([N+](=O)[O-])cc1Cl"]
["1560205","Cc1cc(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3[O-])o2)cc([N+](=O)[O-])c1C"]
["193446321","CC1(c2ccc(N=C=O)c(C(F)(F)F)c2C2(C)C=CC=C2)C=CC=C1"]
["169412454","O=[N+]([O-])c1ccc(C2CC(c3cc4ccc(C(F)(F)F)cc4o3)=NN2)cc1"]
["60520432","O=C(c1ccco1)N1CCCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1"]
["158379207","N#CCc1nc([N+](=O)[O-])ccc1C(F)(F)F"]
["32242524","CC1=CC(O/C=C2/C(=O)OC3CC=CC23)OC1=O"]
["195256520","CN1CC/C=C\\CCC(O)c2nnc(o2)-c2nc1c(C(F)(F)F)cc2[N+](=O)[O-]"]
["198321539","C=C/C=C1C(=C/C)\\c2c(ccc(=C)ccccc2=C)S\\12C(C=C)=C(N=CC)C(=C/C)/C2=C\\C"]
["182759923","C=Cc1cc2cc3ccccc3cc2c(C(=O)OCC)c1C=C"]
["64496651","C=CC1=C/C(=C/C)c2ccccc21"]
["173278369","C=C/C=c1/cccc(SC)/c1=C/C"]
["104512388","C=Cc1ccccc1[C@@H](O)CC"]
["166558252","C=C/C(=C\\[As]C)c1ccc(N=CC)c(C)c1.CC.CCc1ccccc1"]
["180157147","C=c1ccccc1=C1C(=O)[C-]1c1[c-]cccc1.C[CH-]C.[U+3]"]
["174141693","C=C/C=c1/c(C2=C(O)C=Cc3ccccc3C2)c(O)cc/c1=C/C"]
["174255794","C=c1cccc/c1=C/C=C\\CC.CC"]
["166554002","C=Cc1cccc2c1/C(=C\\C)C(=O)N(F)C2=O"]
["169686744","C=CN=C(C1=C(C=C)O/C(=C\\C)O1)c1ccc(=C)ccccc(=C)c1"]
["68823380","C=CC=CCc1ccccc1[CH-][NH-].[Y]"]
["175646817","O.[Al+2].[CH2-][N+]1=C2N=C3N=C(N=C4[N-][C](N=C5N=C(N=C1c1ccccc12)c1ccccc15)c1ccccc14)c1ccccc13"]
["145109319","CNc1csc(-c2ccccc2Br)n1"]
["76245945","N#CC(C#N)=C1c2ccccc2C2CN=NC2c2ccccc21"]
["168598863","Oc1ccccc1C1=NC2=NCNN2C=C1"]
["MCULE-5045774147","O=C1N=C(O)CC1N=C(O)[C@@H](Cc1cccc(Cl)c1)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["98271426","Cn1c2c3ccccc3c1N=C1NC(C)(N=c3c4ccccc4c(n3C)=NC3=NC(=N2)c2ccccc23)c2ccccc21"]
["99148447","c1ccc2c(c1)C1=NC3=NC(=Nc4c5ccccc5c5n4Nn4c(c6ccccc6c4=N5)=NC2=N1)c1ccccc13"]
["149836095","C1=CC2C(=CC1)C1=NC2N=C2N=C(NC3=NC(=N1)c1ccccc13)c1ccccc12"]
["90832935","C=CCOC(=O)c1csc(C(N=C(O)OCC2c3ccccc3-c3ccccc32)C(C)C)n1"]
["79579005","Fc1c(F)c(F)c2c(c1F)C1=NC3=NC(=N[C]4NC(=Nc5[nH]c(c6c5C=CC=C=6)=NC2=N1)c1ccccc14)c1ccccc13.[Ti]"]
["MCULE-3319493791","CC(C)(C)c1nnc(N=C(O)C2(N=C(O)OCC3c4ccccc4-c4ccccc43)CCCCC2)o1"]
["122356947","CCOC(=O)c1c(C)nn(CC(O)c2ccccc2)c1C"]
["179175416","CC12C3CCC(S)(OS3)C3([SiH3])[O+]=[Si]1O[SiH](O[Si](C)(C)C)C1CCC3([SiH])OC12"]
["33961490","C[Si](C)(C)OC1([C@]23CCCC[C@H]2O3)CCC1"]
["33029064","C=C[C@]12CC[C@H](C[C@@]1(C#C[Si](C)(C)C)O[Si](C)(C)C)C2(C)C"]
["100355779","CCOC(=N)C1(n2cc(SC)cn2)CC1.Cl"]
["85086874","CCOC(=O)C1(NC2CC2)CCCC1CCn1cccn1"]
["14805691","Cc1nnc([C@@H](C)OC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)o1"]
["34394198","[2H]C([2H])([2H])OC1CCC(C)(C([2H])(C#N)C#N)C1(C)C"]
["108879590","CC1(C)CN[C@@H]2CCC(F)(F)[C@@H]2O1"]
["184551871","COC1=CC=C2CC(C)(N(Cc3ccccc3)Cc3ccccc3)CCC2C1"]
["158121722","C[C@]1(Cc2cnsn2)CC[C@H](Cl)C1"]
["200291758","CC(C)C12CCC1CCSS2"]
["SN0000513-03","C=C1C2CCC34OC35CCCC(C)(C(=O)O)C5CCC4(C2)C1OC(=O)/C(C)=C/C"]
["173721901","CNC1C(O)C2O[C@H](O[C@@H]3C(N)C[C@@H](N)C(O)C3O)C(N)C[C@@H]2O[C@@H]1O[C@H]1OC(C=O)[C@@H](N)C(O)C1O"]
["154186344","C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O"]
["150731783","CN[C@@H]1C(O)[C@@H](O[C@@H]2C(O)C(O[C@H]3O[C@H]([C@@H](C)N)CCC3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O"]
["107916188","CN[C@H]1[C@@H](O)[C@@H](O[C@@H]2[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](C)N)[C@H](O)[C@H](O)[C@@H]3O)[C@H](N)C[C@@H]2N)OC[C@]1(C)O"]
["163524968","CNC1C2O[C@@]3(O)C(N=C(O)C(Cc4ccccc4)N=C(O)CN)C[C@@H](C)OC3OC2[C@@H](O)[C@H](NC)C1O"]
["1066008","N[C@H](C(=O)O)c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1"]
["67105065","COc1cc(C(C)=O)ccc1OC1OC2COC(c3ccco3)OC2C(O)C1N=C(C)O"]
["193582769","CC[C@H]1OC(CO)[C@@H](O)[C@H](O[C@@H]2OC(C(=O)O)[C@@H](OC)[C@H](O)C2O)C1N=C(C)O"]
["178503305","CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)C(OC2[C@H]1O)O[C@H](C)C[C@@]3(O)CNCCc1ccccc1"]
["30016509","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3O[C@H]1C[C@H](N)[C@@H](O)[C@@H](C)O1"]
["188302753","COc1ccc(COC[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](N)C[C@H]3N)[C@H](O)[C@@H](N)[C@@H]2OCc2ccc(OC)cc2)cc1"]
["81653102","NCC1CCC(N)C(OC2C(CO)OC(OC3C(O)C(N=C(O)C4(O)CC(N)C4)CC(N)C3OC3OC(CN)CCC3N)C2O)O1"]
["188080691","CC1COCC2(CC2CC2COCC3(CC(CC4CCNC5(CC5)C4)C3)N2)N1"]
["76952513","CCC1(CC)NC(C)COC1=O"]
["157967800","CC[C@@]1([C@H]2CC2(C)C)COCCN1"]
["112782603","CCC1CNC2(CCCC2)CN1CC1(CC)CCCC1"]
["155942000","CCc1ccc([C@]2(CN3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1"]
["65219074","CC1CCC(CCN=C(O)C2(N)CCOC2)CC1"]
["96908895","CCOP(=O)(OCC)[C@@]12COC[C@@H]1C=C[C@H](C)C2"]
["58177092","CC1CC(CC2COC(C)C2)CO1"]
["108294272","Cn1cc(C(=O)N2CCC3(CCOC[C@H]3COCC3CC3)CC2)cn1"]
["44981024","CCNCC1(CN(C)CC2CCCOC2)CCC(C)CC1"]
["113626337","CC1CNC2(CCCC2)CN1CCS(=O)(=O)C(C)(C)C"]
["199059216","CC(C)(c1ccc(CN2CCOCC3(COCCN3)C2)cc1)C(F)(F)F"]
["76688234","CC(=C1C(=O)N(C)C(=O)N(c2cc(C)c(C)c(C)c2C)C1=O)C1C(=O)N(C)C(=O)[N+](c2cc(C)c(C)c(C)c2C)=C1C"]
["77666412","CC(=O)C(C)N1C(=O)C2C(N=C3N(c4cccc(Cl)c4C)C(C)=C(C)N32)N(C)C1=O"]
["105953190","CC[C@@H]1Oc2ccc(C(C)C)cc2N(CCC(=O)O)C1=O"]
["MCULE-7291835276","CCCCN1C(=O)C(NCC(C)C)=C(c2c(C)cc(C)cc2C)C1=O"]
["MCULE-9796765715","Cc1ccncc1-n1nc(C2CCCC2)cc1N"]
["60600187","COCCN1C(=O)CC(C(=O)O)C1c1ccc(C)c(C)c1"]
["77269854","CN1C(=O)C(C#N)C(N2CCC(C(=N)O)CC2)=[N+](C)C1=O"]
["77136554","CCCN1CC=CC2(C)SC34C=CCN(c5cc(C)ccc5C)C(=O)C3N(CCCCO)C(=O)C4C2C1=O"]
["185618293","CC(C)C(=O)C1C(=O)N(C)C(=O)N(C)C1=O"]
["53488784","Cc1ccc(C)c(N(CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)C(=O)c2ccc(Cl)cc2Cl)c1"]
["76675758","COc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)C(C(C)=Cc3ccccc3)C2=O)c(OC)c1"]
["22836052","CC1=C(C#N)C(O)N(CCCOC(=O)c2ccc(C)cc2)C(=O)C1C(=O)c1ccc(C)cc1"]
["172122700","C1=CC=C2[C+]C=1N(c1ccc3c(c1)-c1ccccc1C3(c1ccccc1)c1ccccc1)C1=C=C(C=CC1)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3)C1=C=C(C=C[CH-]1)N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.[CH3].[Sn]"]
["MCULE-2771899211","CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2-c2ccc(C(=O)N=c3cc[nH]cc3F)cc2F)CC1"]
["194820254","CC(C)(C)C1=CC(c2cccc3c2nc(-c2ccccc2[O-])n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)=C=C(c2cc3c(cn2)-c2ccccc2C3(C)C)C1.[Pt]"]
["177970009","Oc1ccc(C2(c3ccccc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1"]
["177605883","c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C6(c7ccc8c(c7)oc7ccccc78)c7ccccc7-c7ccccc76)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1"]
["179806763","O=c1c2ccccc2oc2ccc(-c3ccc(-c4ccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3)cc12"]
["170115626","CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2"]
["78437437","CCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(C3=CC=CCC3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cccc5c4CCC=C5)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21"]
["198137747","Oc1ccccc1-c1cccc(C2(c3cccc(-c4ncc5cc6ccccc6cc5n4)c3)c3ccccc3-c3ccccc32)n1"]
["184629204","c1ccc2c(c1)-c1ccccc1C1(c3ccccc3-2)c2ccccc2-c2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6ccccc6c45)n3)ccc21"]
["147651676","c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1"]
["188887453","CC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1cc(C(C)(C)C)cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2"]
["184580660","C1CCC(B2C3CCCNC3C34C5CCCCC5SC5CCC[N+]6(CCCC2C36)C54)CC1"]
["171905662","N=C1NC2CC(Cl)CC(Cl)C2C1(O)C1CCCCC1"]
["96423615","O=C(Cc1ccc(Cl)s1)C1CCCCCN1"]
["85394005","C(=C1CCNCC1)c1ccn(C2CCCCC2)n1"]
["174556667","C(=C1CCCCC1)C1CCCN1"]
["66504021","CCC1(C)CSC(=NCC2CCCCC2)N1"]
["33835316","C[C@]1(c2ccccc2)CC(=O)[C@H]2CCCCC[C@@H]21"]
["28220779","C[C@H](N)CC1(c2nn[nH]n2)C2CCCCC2CC2CCCCC21"]
["196727329","C1CCC(C2(C3CCCCC3)C3CCCCC3C3CCC(N(C4CCC5C(C4)OC4CCCCC45)C4CCCC5C6CCC7SC8CCCCC8C7C6OC54)CC32)CC1"]
["102495298","SC1=N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1C1CCCC1"]
["88858145","Oc1ccc(Cl)c2c1CCNC2C1CCCCC1"]
["88858595","Fc1ccc2c(c1F)C(C1CCCCC1)NCC2"]
["174045565","[B]C([C-]=C[C-]1CC([B+])C(Br)CC1=[B+])C([B+])[CH-]C#B"]
["175161032","CC.[B+]=C1C=CC(C(C)[C-]=C)C=C1.[B]/C(C)=C/CC"]
["49699038","C[C@]12Cc3c[nH]nc3C=C1CC[C@@H]2CC=O"]
["76244050","CP1(=O)CC2=C(CC(Br)C(Br)C2)C1"]
["184240822","CN1CN(C)C2C1C(O)N(C)C(O)N2C"]
["175407044","[B+]=C1C=CC(Br)[C-](C=C)C1=C=C"]
["167283740","BrC1=CCC(Br)C(Br)C1"]
["184167709","O=C1CC2C(Br)C[C@@H]1C2N(P)P"]
["174045540","[B]=C1C(=[B+])C(=[B+])C(Br)[c-]2o[c-](C([B+])C([B+])C(=[B])C#B)[cH-][c-]21"]
["175351666","[B+]=C1C=CC(C)=CC1C(C)[C-]=CC"]
["173898846","CC1CC=C(Br)C[C@@H]1Br"]
["174045541","[B]C[CH-][C-]=C1C(=[B])CC([B])C([B+])C1=[B+]"]
["81362373","COC1OC(C([OH2+])[N-][C+]([O-])CP(=O)=O)C([OH2+])C([OH2+])([N-][C+]([O-])CP(=O)=O)C1[OH2+]"]
["98481723","CCC1CC(C)C(C)[C@@H](OC)O1"]
["57548886","CO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@@H](Cl)[C@@](O)(C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1"]
["159740230","COC(C)c1noc(CCC(O)=NC2C3CCCOC3C2(C)C)n1"]
["183858509","COCCC1(C(=O)O)CCCCC1C(=O)O"]
["195882562","[B][C@H]1O[C@@H](OC)[C@H](O)[C@H]1F"]
["90790703","COC(=O)CC(O)C1OC(OC)C2OC(C)(C)OC12"]
["42735297","O=P(=O)OC[C@H]1OCC[C@@H]1[OH2+]"]
["76806456","COC1OC2C[N+](C)(C)C2C1F"]
["101592568","CCOP(=O)(OCC)[C@H](CC1OC(OC)C2OC(C)OC12)OS(=O)(=O)C(F)(F)F"]
["76788199","COC1OC(OC)C2C1C1(C(F)(F)F)N=NC2(C(F)(F)F)C1(OC)OC"]
["153449661","CC[C@H](O)c1cn(C[C@H]2O[C@@H](OC)[C@H](O)[C@@H](O)[C@H]2O)nn1"]
["59338800","CCN(CC)P(C[Si](C)(C)C)(=N[Si](C)(C)C)P(C[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C"]
["171596763","CCN(CC[Si](C)(OC)OC)[Si](C)(C)C"]
["94244187","CCN(C)c1nnc(C)c(C)c1C(N)=NO"]
["66987749","CCC(C)OP(=S)(NCCCC(C)=O)N(CC)CC"]
["MCULE-3954685719","CCN(CC)S(=O)(=O)c1ccc(N=C(O)c2ccc(CS(=O)(=O)C(C)C)o2)cc1"]
["26922271","C[Si](C)(C)N=P(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C"]
["175454547","CCN(CC)CC(C)[Si](C)(C)C"]
["171799144","CCN(CC)P(=NP(Cl)(N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N=P(N(CC)CC)(N(CC)CC)N(CC)CC)N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC"]
["185442992","CCN(CC)P(C)(=S)n1ccnc1"]
["101097183","CCCCCCP(Br)(CCCCCC)=N[Si](C)(C)C"]
["91116909","CCN(CC)[Si](C)(Cl)[Si](C)(Cl)Cl"]
["100991677","CC(C)(C)P(C[Si](C)(C)O[Si](C)(C)CP(=N[Si](C)(C)C)(C(C)(C)C)C(C)(C)C)(=N[Si](C)(C)C)C(C)(C)C"]
["75819776","CC1=CC(=C2[N]c3cnc(Oc4cnsn4)nc3O2)C=C(C)C1=O"]
["172755899","COc1nc(C(C)=O)cnc1C"]
["5644640","Cc1nc(C)c(C(=O)Oc2ccc3sc(=O)oc3c2)s1"]
["105461876","Cc1cc([C@@H](C)N=C(O)c2cnsn2)c(C)o1"]
["99259619","CC1=CC(=S(C)C)C=C(C)C1=O.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)F"]
["91284899","Cc1ncc2c(n1)N(C)CCC2=O"]
["MCULE-4125467342","COc1ncc(-c2ccc3c(c2)CCN3C(=O)c2sc(C)nc2C)c(OC)n1"]
["45015033","COc1cc(CC(C)C)nc(C2=NNC(=C3C=C(C)C(=O)C(C)=C3)O2)c1"]
["135958734","Cc1csc(CS(=O)(=O)CCOc2ccccc2)n1"]
["170581762","Cc1c(C2CCN(c3ccnc(Oc4cc(C(C(=O)N5CCC(O)C5)C(C)C)on4)n3)CC2)sc2nnc(-c3ccccc3O)cc12"]
["43716843","CN=C1C=C(C2CC2)NC(=C2C=C(C)C(=O)C(C)=C2)N1"]
["134846999","c1ccc(COc2ccccc2-c2noc(-c3cnsn3)n2)cc1"]
["175405252","[B]C1Oc2cc(C)oc2-c2[se]c(C)cc21"]
["147126007","COc1ccccc1C1CNCCN1C(=O)c1oc(C)cc1C.Cl"]
["63883152","Cc1ccc2oc(C3CCCCN3)nc2c1"]
["42855342","CCc1ccc(C(O)c2cccc(C)c2)o1"]
["86648576","Cc1cc(CNC2CC(C)(C)Oc3ccccc32)on1"]
["51957628","Cc1cc2c(o1)CC(C)(C)CC2NC1CCC(C)CC1"]
["34625184","Cc1cc(=S)oc(=O)o1"]
["66892348","Cc1cc(C(C)C(C)O)c(C)o1"]
["104536333","COc1ccc(C)cc1[C@H](C)NCc1ccc(C)o1"]
["109625777","CCN1C[C@H](CN(C)C(O)=N[C@H](C)c2cc(C)oc2C)Oc2ccccc21"]
["105035818","Cc1cc(CNC[C@H]2CCCO2)no1"]
["61282712","Cc1cc(C(C)NC(C)c2ccccc2)c(C)o1"]
["194216350","C=P(O)(CNC(O)=NC)CN(CP(=C)(CO)CN=C(O)N(CP(=C)(CO)CO)CP(=C)(CO)CNC(O)=NCP(=C)(CC)CO)C(O)=NC"]
["143537281","CN=C(O)NCC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1"]
["65812062","CN=C(O)N(CC(C)C#N)c1ccccc1"]
["133879630","CCN(CCO)C(O)=NCC1(C(C)C)CC1"]
["MCULE-4233596495","CCN(CCO)C(O)=NCCCN=C(O)C(F)(F)F"]
["95106703","CCCN=C(O)NCC(=O)N(C)C"]
["118143946","CCN(CCCNC(=NC)NCCN=C(O)c1ccccc1)c1ccccc1.I"]
["4290288","CCN(C[C@@H]1CCOC1)C(O)=NC[C@H]1CCS(=O)(=O)C1"]
["94171498","CCC(CC)(CN=C(O)NC(C)c1nccs1)C(=O)O"]
["22145006","CN(C)c1cc(CNC(O)=NCCc2ccc(OC(F)F)cc2)cc[nH+]1"]
["44740610","CCN(CC)C(=O)CNC(O)=NCc1ccccc1"]
["179068526","CCc1ccc2nc(C[C@H](NC(O)=NC)C(O)=N[C@H](CN=C(O)/C=C/CN(C)C)C3CCCC3)sc2c1"]
["99246300","CC1=C(C)C(=[Si-]c2c(C)ccc(C)c2/C=C/C=O)C=C[CH+]1"]
["90256206","Cc1ccc(C)c(S(=O)(=O)N2CCN(C(C)C#[NH+])CC2)c1"]
["139316526","Cc1ccc(S(N)(=O)=O)cc1C(O)=Nc1ccc(=O)n(C)c1"]
["55230897","Cc1ccc(CNC2CCN3CCCC23)cc1C"]
["135100111","Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCC(NS(C)(=O)=O)C1"]
["MCULE-6993919161","CCc1nn(C(c2ccc(C)c(F)c2)C2CCC2)c(Cl)c1C=O"]
["MCULE-3600302626","C=Cc1c(C)ccc2c(=O)c(C(=O)O)nn(C)c12"]
["83975746","O=C/C=C/c1ccc2ccccc2c1/C=C/C=O"]
["45172910","Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(O)=Nc1nnc(C2CC2)s1"]
["20708215","Cc1cc(-c2csc(N3CCN(C)CC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1"]
["98273805","CCOC(=O)Oc1c(C=O)c2c(Cl)cccc2n1Cl"]
["181022854","CC(=O)c1ccc(C)c(S(=O)(=O)N=[N+]=[N-])c1"]
["180582003","[B+]=c1c#cc2c(c1)C1(C3=C=C=C[N-]C3=C3[N-]C=CC=C31)c1cc(=[B+])ccc1=2"]
["99710838","[B+]=c1ccc2c(c1)N=C(Cl)[N-]C=2Cl"]
["196509169","CC(=O)/C=C(/C)O.Cc1cc2c3c(nccc3c1)C1=C=CC3=CC=C[N-]C3=C1C2(C)C.[Ir]"]
["172894509","CC1(C)CCc2ccc(=C3N=C(C4=NC(=c5ccc6c7c5=C=CC=C7CCC6(C)C)[N-]C(c5ccccc5)=C4)C=C(c4ccccc4)[N-]3)c3c2C1=CC=C=3.[Pt+2]"]
["175428133","[B+]=C1C[C-]2O[C-]3CC(=[B+])C(C)C=C=C3C3(OC([O-])=c4ccc(=[B+])cc43)C2=C=CC1C"]
["196509578","CC(C)c1cc2c3c(nccc3c1)C1=C=CC3=CC=C[N-]C3=C1C2(C)C.CCC(CC)C(=O)/C=C(\\O)C(CC)CC.[Ir]"]
["196842217","Cc1ccnc(C2CC2)n1.[B+]=c1ccc2c(c1)[N-]C=CC=2Cl"]
["196005428","OC1=NCNC12CCI=C1[N-]C=CC=C12"]
["180239323","[B+]=c1ccc2c(c1)C(O)(CC(C)C)C1C=C([S-])C=CC=21"]
["175433287","[B+]=c1ccc2c(c1)N=C(COC)N(C)C=2[O-]"]
["174666069","[B+]=c1ccc2c(c1)C1(c3ccccc3C(=C=CC)[C-]1CN(c1ccccc1)c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1cc(=[B+])ccc1=2"]
["199792257","C1=CC=C[N-]C=1c1[c-]nc2ccccc2c1.[Y]"]
["190459703","O=C1C(Br)(Br)C(Br)=C(Br)C(Br)(Br)C1(Br)Br.O=C1C(Br)=C(Br)C(Br)=C(C2=C(Br)C(Br)=C(Br)C(Br)(Br)C2)C1(Br)Br.O=C1C(Cl)=C(Cl)C(Cl)=C(C2=C(Cl)C(Cl)=C(Cl)C(Cl)(Cl)C2)C1(Cl)Cl"]
["30105836","CC1(C2CCCC2)Cc2cc(OCc3c(Br)cc(C(=O)O)cc3Br)c(Cl)c(Cl)c2C1=O"]
["5538868","O=C1[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl"]
["101296441","COc1ccc(CN(CC[C@@H]2C=C(C)C[C@]3(C#N)C(=O)C(Cl)=C(Cl)C(=O)[C@]23C#N)S(=O)(=O)c2ccc(Br)cc2)cc1"]
["83992170","ClC1=C(Cl)C(Br)(Br)C(Br)=C1Cl"]
["59974949","C=C1C[C@@H]2[C@@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@]2(C)C1=C(Br)C(=O)C(Br)C2C"]
["181358968","[N-]=[N+]=NC1=C(Br)C(=O)C12CCC(=O)CC2"]
["183769671","O=C1OCC2=C1C(Cl)=C(Cl)C(Cl)(Cl)C2"]
["28598705","Cc1c(O)ccc2c1C[C@@]13CC[C@H](C1)C(=O)C(Br)=C23"]
["191980253","BrC1=C(Br)C(Br)(Br)C(Br)=C1Br.ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl"]
["22992323","O=C1C(Br)=C2C(=C(Br)C(=O)C2(Br)Br)C1(Br)Br"]
["99487141","CCCCC12CCC(=O)C(Br)=C1C1=CC(=[F+])C(=[As-])C(Cl)=C1C2"]
["189855161","FC1=C(C2CC(F)[CH-]C(F)C2)CCC(C2CC[CH-]CC2)C1.[Re].[Re]"]
["43864775","CCOP(=O)(/N=C1\\C2CCC(C2)C1C)OCC"]
["60569376","ON=C1C2CCC(C2)C1N1CCCCCC1"]
["180038865","C=Ic1c(F)cc(C2CCC(C3CCC(C)CC3)CC2)cc1F"]
["176201298","Cc1cc(C2CCC(C3CCC(F)CC3)CC2)cc(C)c1C"]
["42081758","CC(C)(C)NCCC(O)=Nc1nnc(C2CC2)o1"]
["179693584","CCOC1CCC2C[CH-]CCC2CC1.[U]"]
["181159460","C[C@@]12CC=C[C@H]1[C@@H]1CCC3CC(=O)CCC3=C1CC2"]
["148784338","FC1(F)CC[C]1C1CC1"]
["MCULE-2841191960","Cc1ccc(C(C)n2nc3c(c2N)C2CC2C3)c(F)c1F"]
["25477739","CC1=CCC(C2CCC(c3ccc(C4CCC(C)=C(F)O4)cc3)CC2)CC1"]
["64622844","ON=C1C2CCC(C2)C1Cl"]
["184245996","CC1P2(=CCc3ccccc32)I(C)[P+]12[CH+]Cc1ccccc12.[Al].[Al]"]
["146374934","CNCC(C)C(=O)N1Cc2ccccc2N(C)CC1C"]
["117454474","CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(C)c1"]
["157155910","C[C@H]1Cc2ccccc2N1CCN=C(O)N1CCCC[C@H]1c1ncc[nH]1"]
["111119922","CN=c1[nH]c(N2CC(C)Cc3ccccc32)c(Cl)cc1Cl"]
["199067727","Cc1n[nH]cc1C(C)NCC1Cc2ccccc2CN1"]
["115715837","CC1Cc2ccccc2N1/C=C(/C#N)C(O)=Nc1cccc(C(F)(F)F)c1"]
["117632295","Cc1cc(C(=O)N2c3ccccc3CC2c2nnc(C3CC3)o2)n(C)n1"]
["18826915","Cc1nc2cc(N=C(O)N3c4ccccc4C[C@H]3C)ccc2n1C"]
["190658740","CC#Cc1ccc([Si](C2=C/C(=C\\C#Cc3ccccc3)CC=C2)(c2ccc(C#Cc3ccccc3)cc2)c2ccc(C#Cc3ccccc3)cc2)cc1"]
["151786661","c1ccc2c(c1)=N[C@@H]1C=2CCC/C1=N/N=C1/CCCC2=c3ccccc3=N[C@H]21"]
["50328283","CNC(C)(CO)CCCN1c2ccccc2CCC1C"]
["184550143","OC(=NC(=NC1COC1)NC1CC(C2CC(F)CC(F)C2)NN1)C1CCC(F)C(F)C1"]
["159981546","CC1(C)C2CCC1(C)C(NC(O)=NC1CCOC3(CCOC3)C1)C2"]
["60450010","NC1CCC(C(O)=NC2CCC(O)=NC2=O)C1"]
["142832487","Cc1nc([N+](=O)[O-])cn1CC(O)=NC1CCOC(C2CC2)C1"]
["184490075","CCC(C)N=C(N=C(O)C1CCCC(S(C)(=O)=O)C1)NC1CC(C2CCC(F)CC2)NN1"]
["177990073","OC(=NC(c1cc(F)c(Cl)cc1F)C1COC1)[C@H]1C[C@H]2C[C@H]2N1"]
["146019431","Cc1cc2occ(CC(O)=NC3CCNCC3)c2cc1C"]
["150833868","Cc1cnc(NC(O)=N[C@H]2CC[C@H](F)C2)o1"]
["147071310","O=C(O)[C@@H]1CC[C@H](N=C(O)CCCc2nc(-c3ccc(Cl)cc3)no2)C1"]
["59585699","O=C(NCCC(O)=NC1CCC(C(=O)O)C1)c1cccs1"]
["158931081","O=S(=O)(N=C(O)[C@@H]1CCCN(CC(F)(F)F)C1)C1COC1"]
["147072544","Cc1ccc(CC(O)=N[C@H]2CC[C@@H](C(=O)O)C2)s1"]
["58868984","ClCC1=CCC=[C+]C1=[Si]=c1ccccc1=[Si-]c1ccccc1CCl"]
["119212386","COc1ccc(Cl)cc1C(CN)Cc1ccccc1Cl"]
["47993516","OC1=NC(=S)S/C1=C\\NCc1ccccc1Cl"]
["52673094","O=S1CCN(Cc2ccccc2Cl)CC1"]
["182575240","Cc1cccc2[nH]c3cccc(CCl)c3c12"]
["18089985","COC(=O)[C@H]1CN(Cc2ccccc2OC)CCC1=O"]
["172300796","ClCc1cc2ccccc2nc1CCl"]
["171514700","CC.CO.COc1ccccc1CO"]
["159803912","COc1ccccc1CS(=O)(=O)NC(C)c1ccccc1"]
["127084635","CC(O)CN(C)C(O)=NCc1ccccc1-c1ccc(Cl)cc1Cl"]
["46420695","CCC(OC)Oc1ccccc1CCl"]
["104533134","C[C@H]1CCC[C@H](OCc2ccccc2CN)C1"]
["51667170","CCc1c2[n-]c(c1CC)-c1cccc(n1)-c1cccc(n1)-c1cccc(n1)C=c1[n-]/c(c(CC)c1CC)=C\\2.[Pt+2]"]
["97784172","CC(C)(C)OCCCCOCc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(COCCCCOC(C)(C)C)cn5)n4)nc(-c4ccccc4)n3)n2)nc1"]
["MCULE-5519032165","CCCOC(=O)c1cccc(N=C(O)CCC(O)=Nc2cc(C)ccc2OC)n1"]
["9498389","CCCN(CCC(O)=NCCOC)c1nc(CC)nc2cc(Cl)ccc12"]
["179532648","C/C=C\\c1nc(-c2ccccn2)nc(O)c1CC"]
["97227495","CCC1=C(CC)C2=C3N=C(C=c4[nH]c(c(CC)c4CC)=C4N=C(/C=c5\\[nH]c(c(CC)c5CC)=c5[nH]c(c(CC)c5CC)=CC5=NC(=c6[nH]c(c(CC)c6CC)=CC1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC"]
["MCULE-6060247039","CCCC(O)=Nc1nc2cc(-c3cccc(C)c3C)ccc2o1"]
["131348963","COC(O)=NCCCC(O)=Nc1cccnc1N(C)C"]
["176279431","CCc1nc2n[nH]c(C#Cc3ccn(C)n3)c2c(=O)n1-c1ccccc1"]
["MCULE-1710812927","CCc1c(C2CC2)nn(-c2ccc(C(F)F)nc2)c1Cl"]
["133644470","Cc1ccc2c(c1)nc(CN=C(O)Cc1cc(F)ccc1Br)n2C"]
["29420690","CCc1cccc2nc(-c3c(F)cccc3F)c(Nc3c(C)cccc3Cl)n12"]
["174150757","[B+]OC1=C=C(O[B+]C)C([C-]([O-])C2=C(O[B+]C)C=C(O[B+]C)[CH-][CH-]2)=CC1"]
["54931086","CCOC(=O)C1=CCC2CNNC2=C1"]
["181449097","Cc1cc2c(c(N=[N+]=[N-])c1)OC(C)(C)C2"]
["179060004","[B+]=C1C[C-](F)C(OCC)=C=C1N"]
["114080529","COCCn1ncc(Br)c1C(=O)C1CCCC1C"]
["96764514","COC[C@@H]1CCCN1C(=O)[C@]1(C)C=C(C)C(=O)C=C1CCO[Si](C)(C)C(C)(C)C"]
["22665420","CCOC1=CCCN(CC)C1"]
["MCULE-6434604731","CC(C)(C)OC(=O)N1CCN(CCOC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1"]
["21250717","CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)N3CCN(CCOC)CC3)cc2[C@H]1c1ccc(C)cc1"]
["190446986","C=O.Cc1cc(Cl)c(CS(=O)(=O)C2=NOC(C)(C)C2)cc1Cl"]
["84617039","COCCCn1ccc(C(C)N)c1"]
["183080896","CCOC1=C(c2c(F)cc(F)cc2F)N(CC)CC(Cl)=C1"]
["173226624","O.[CH-]=C/C=C\\C#[N+][N-]c1cc2c(cc1[O-])NCCO2.[Ni]"]
["128227865","c1ccc(CCNC2CCCOc3cc4c(cc32)CCC4)nc1"]
["193051478","C.CC(C)c1c2c(cc3c1NCCO3)CCNCC2"]
["174809368","FC(F)(F)c1cc(-c2cccc3c2OCCN3)cc(C(F)(F)F)c1"]
["10072040","Clc1ccc(CN2CCNc3ccccc32)cc1Cl"]
["CSSS20621630168","CC1(C)OB(c2cnc3c(c2)OCCN3)OC1(C)C.Cl"]
["25419256","Fc1ccc2c(c1)C(c1ccccc1)NCCO2"]
["MCULE-1218583635","Cc1ccc2c(c1)C(=Cc1ccc3c(c1)OCCCO3)C(=O)N2"]
["175082137","N=C(O)[C@@H](Nc1cc2c3c(c(-c4ccc5ncncc5c4)[nH]c3c1)NCCO2)C1CC1"]
["180860226","O=C(CCC(=O)c1cccs1)c1ccc2c(c1)NCCO2"]
["1363122","C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(O)=Nc1ccc2c(c1)OCCO2"]
["163191910","N#Cc1cc(Cl)c2c(c1)OCCC2=O"]
["174770767","N=C(O)c1c(F)ccc(OCC2=NC(=C3C=C=C(O)C=C3)[N-]O2)c1F.[Co]"]
["46238329","O=C(O)c1csc(Cc2cc(C(F)(F)F)ccc2OCc2cc(F)c(F)cc2F)n1"]
["MCULE-8684449510","CCOc1cccc(-c2cnc(N=C(O)CN(C)C)nc2C(F)(F)F)c1F"]
["MCULE-2736267207","CCOc1cccc(-c2cc(C)cnc2N=C(O)CN2C(=O)c3ccccc3C2=O)c1F"]
["MCULE-1905451703","O=C(O)Cc1ccc(-c2cnc(N=C(O)c3c(F)ccc(F)c3F)nc2)cn1"]
["MCULE-9590883191","Fc1ccc(OCc2ccccc2)c(-c2ncncc2F)c1"]
["MCULE-6912145510","COc1ccc(F)c(F)c1-c1ccc(C(=O)CCC(O)=Nc2nnc(C)o2)cc1"]
["MCULE-1198567971","CCCOc1ccc(-c2cc(O)ccc2C=O)c(F)c1F"]
["144565004","Cc1noc(COc2cnc(C(O)=Nc3ccc(F)c([C@]4(C)NC(=N)S[C@@]5(C(F)F)C[C@@H]45)c3)cn2)n1"]
["197745500","COc1cc(F)c(-n2c(O)nc3csc(CN(C)C)c3c2=O)cc1OCc1c(OCC2CC2)ccc(F)c1F"]
["195740607","CC[C@H](O)c1cc(COc2cccc([C@H](O)CC(=O)OC)c2F)ccc1-c1cc(OC)ccc1F"]
["MCULE-8233285767","OC(=Nc1ccc(Br)cn1)Nc1ncccc1OCCCOc1ccc(Cl)cc1"]
["74986964","COOSc1c(N=Nc2c(C(C)(C)C)nn3c(C)n[nH]c23)n[nH]c1C(C)(C)C"]
["94804385","CCc1cc(CC(N)C(C)(CC)OC)n(C)n1"]
["75728641","Cc1n[nH]c2c(/N=N/c3c(C#N)cnn3-c3cc(C(=O)O)cc(C(=O)O)c3)c(C(C)(C)C)nn12"]
["MCULE-6964387239","COc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)n4)c(C(C)(C)C)nn13)CCCC2"]
["MCULE-1108125104","COc1ccc(-c2cc(=O)n3nc(C(C)(C)C)c(C#N)c3[nH]2)cc1Cl"]
["MCULE-5367174111","COc1cccc(C)c1-c1cc(Cl)n2nc(C(C)(C)C)c(C)c2n1"]
["161043876","CC(C)(C)c1n[nH]c(=NC(=O)N2CCC(O)CC23CCC3)s1"]
["MCULE-2676695385","COc1ccc(C)cc1-n1nc(C(C)(C)C)c(C(C)(C)C)c1Cl"]
["MCULE-3820475197","COc1ccc(-c2c(C(C)(C)C)nn3c(N)c4c(nc23)CCCC4)cc1"]
["MCULE-2677845993","Cc1c(C(C)(C)C)nn2c(O)cc(-c3ccc(F)cc3C(F)(F)F)nc12"]
["MCULE-6321895696","CCOP(=O)(OCC)c1c(C(C)(C)C)nn(Cc2cc(C)ccc2Br)c1O"]
["193560278","CC.CC(C)(C)c1[nH]nc2nnccc12"]
["64134332","CC1=C2C(C)C3C(C)=C(S(=O)(=O)[O-])C(C)=C3[B-](F)(F)N2C(C)C1=[S+]OO[O-]"]
["181130277","COC1=C(C)C(C(=O)O)CCC1(SC)SC"]
["21753706","Cc1cc(S(=O)(=O)NNC(O)=NCCCn2ccnc2)ccc1OC(C)C"]
["MCULE-4391329640","Cc1cncc(F)c1-n1nc(C=O)c2c1CCC2C"]
["147093677","CCOC1CC(N=C(O)CCc2ccc(OC(F)F)cc2)(C(=O)O)C1(C)C"]
["96726942","COc1ccc(C)c(/N=N/c2cc(C)c(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2OC)c1.[Na+]"]
["144628122","CCOCc1cnc2n1CCN(Cc1scnc1C)C2C.O=C(O)C(F)(F)F"]
["169781124","CC1=C(N=NC2=C(O)CC(C)(C)CC2=O)C(=O)C(c2ccccc2)C1C"]
["53124477","Cc1ccc(OC(C)C(=O)N2CCC3(CC2)OCC(C)O3)cc1"]
["117500876","COc1ccc(S(=O)(=O)N2C(C)OCC2(C)C)cc1C"]
["182689300","CCOC1CC(C)C2C(O1)OC(N1C(=O)CCC1=O)C2OC(=O)O"]
["154719605","COS(=O)(=O)[O-].Cc1ccc2c(c1)n(C)c(C(F)(F)F)[n+]2C"]
["191051909","CC(C#N)C1CCC(C(C)C#N)C(CCC#N)C1.CC(C#N)C1CCC(CCC#N)CC1C(C)C#N.CC(C)C1CC(C(C)C#N)CCC1C(C)C#N"]
["46465499","CCCCC1CCC(C(C#N)CC2CCC(c3ccc(-c4ccccc4)cc3)CC2)CC1"]
["99900415","C=C(C)c1ccc(C(C#N)CC2CC2)cn1"]
["62184817","CCCC1CCC(C(OO)C2CCC(C3CCC(CC)CC3)CC2)C(F)C1"]
["171490563","CCCCCc1cc(O)c(C2C[C@H](CCC(C)C3CCC(CCC(C)C4CCC(C)CC4c4c(O)cc(CC)cc4O)CC3c3c(O)cc(C)cc3O)CCC2C(C)C)c(O)c1"]
["86221795","CC(C)N(CCC#N)C(=O)CC1CCSCC1"]
["124237637","CC(NCc1cccc(OCCCC#N)c1)C1CCCN(C2CCC2)C1"]
["1587934","CC(C)[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](C)O[C@@H](C)C1"]
["51225347","CC(C)CN(CCC#N)C(=O)C1CC1C"]
["105779859","CC(C)[C@@H]1CC[C@H](O)[C@H](CN(C)c2ccccc2)C1"]
["141875298","CC(C(=O)N(C)CCC#N)N(C)CC1CCCCC1"]
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["184287240","C=C(C)C(C)=NC1=C(C)CCCC1NC1CCC(NC2CCC(N)C(NC)=C2C)C(N=C(C)C(=C)C)=C1C"]
["18734781","CCOC(O)=Nc1cccc(NCC(O)=N[C@@H]2CCCC[C@@H]2C)c1C"]
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["48815097","CC(=Nc1c(C)c(C)c(C)c(C)c1C)c1cc(C(C)=Nc2c(C)c(C)c(C)c(C)c2C)c(C)c(C)c1C"]
["91314411","CCN(CC)CC(O)=Nc1c(C)c(C)c(C)c(C)c1C"]
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["175670102","C=C(C)/C=C\\C(C)=N/C=C(\\C)c1cc(C)c(NC(=C)/C=C\\C=C/C)c(F)c1.CC.CC1CCN(C)CC1"]
["175258144","CCC1(C)c2cc3[s+]ccc3c3ccn4ccn(c4c23)C1(C)CC"]
["77543070","CCCC12CN3CC(CCC)(C[NH+](C1)C31C(=O)N(CC)c3ccc(C)cc31)C2=O"]
["175539516","CCCCc1ccn2c(c1)c1ccc3cccc4c3c1[n+]2C(C)(CC)C4(C)CC"]
["57537773","CCC1(c2ccn3cc(O)cc3c2C)OCCO1"]
["161260985","CC1(C)c2ccc(N)cc2-c2cc(Cc3ccccc3)ccc21"]
["42701308","CCn1cccc1CNc1cc(F)cc(F)c1"]
["141950555","CCC1(CC)C(N=C(O)c2ccn3ccnc3c2)CC1OC"]
["59101914","CCC1(CC)CN(c2ccc(C)cc2Cl)CCCN1"]
["179228700","CCC1(CC)NC2N(C)c3cccc4c3N2c2c(cccc21)C4"]
["88381934","CCCN=c1cc[nH]cc1C(O)=NCc1ccn(C)n1"]
["84974630","CCC(C)n1ccc(CC2(c3cccc(Br)c3)CNC2)n1"]
["63020759","CCC1(c2cc(C)c(C)cc2C)CCCN1"]
["90930528","Cl.Clc1nc(Cl)nc(C2=NN(c3nc(Cl)nc(Cl)n3)N(c3nc(Cl)nc(Cl)n3)N2)n1"]
["164717400","Cl.O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1"]
["64410702","Fc1ccc(-c2nc(Cl)nc(N3CCCC3)n2)c(F)c1F"]
["46393226","COc1nc(Cl)nc(N2CCSCC2C)n1"]
["120211991","Nc1cnc(Cl)nc1Sc1cc2ccccc2[nH]1"]
["42491439","CC(C)n1c(O)nnc1Sc1nc(Cl)nc(Cl)n1"]
["25010372","CC(C)(Oc1nc(Cl)nc(Cl)n1)C(=O)O"]
["86619658","CN=c1nc(Cl)nc(N2CCC(C)(O)CC2)[nH]1"]
["156466267","O[C@@H]1CCCN(c2nc(Cl)nc(Cl)n2)C1"]
["185581308","CCc1ccc(C2=NN(c3ccccc3)N(c3ccccc3)N2)cc1"]
["172178842","Clc1nc(-c2ccccc2)nc(-c2ccc(C3C4CC5CC3C54)cc2)n1"]
["175511627","CCCCN(c1nc(Cl)nc(Cl)n1)C1CCN(C)C(C)(C)C1C"]
["193706301","CC(C)=C1CCCN2CNCC(C(C)C)=C12.CC(C)=C1CCCN2SNCC(C(C)C)=C12"]
["102812808","C[C@@H](C(O)=N[C@@H]1CCN2CCCC[C@@H]12)S(C)(=O)=O"]
["128638173","CCC(C(O)=NC1CCCn2nc(C(C)C)nc21)N1CCCC1=O"]
["191659042","CC(C)=C1CCCC(C(C)C)=C1C"]
["84559381","CC(C)(C(O)c1cccs1)N1CCCCC1"]
["4026997","CCOc1cc2c(cc1OCC)CN(C(O)=[NH+][C@H](C)CCN(C)C)CC2"]
["160000442","CC(C)C(O)=NC1CCN(C(O)=NC2CCCOCC2)CC1"]
["165674719","CC(C)(C)c1nsc(N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)n1"]
["144805800","COC(=O)C(CN1CCNCC1)c1cccs1"]
["95386375","CC(c1cccs1)N(C)Cc1ccc2c(c1)CNC2"]
["132932592","CC(N=C(O)N1CCOC(CN(C)C)C1)c1cc2ccccc2s1"]
["111867742","CSc1c(N2CCC(C(C)C)C2)sc(C(=N)O)c1N"]
["189095379","CC1C2=NC3=NC4=NC5=NC6C(CC5CC4CC3CC2C(C)C1(C)C)C(C)(C)CC6(C)C"]
["176887112","C/C=C\\C=C(/C=C\\C)[C@@H]1CC(C)C(O)=N[C@@H]1C.CC.CN"]
["31203087","Cc1noc(-c2c3c(nn2C)C2(C)C=C(C#N)C(=O)C(C)[C@@H]2CC3)n1"]
["76243140","CC1CC2CC3CC(C2=CC1=O)C3(C)C"]
["23404803","CC1=CCC2CC(C1=O)C2(C)C"]
["123483543","CC1(C)C2CC=C(COC(=O)Cn3cc(C4CC4)nn3)C1C2"]
["104076125","C[C@H]1[C@H]2C[C@H](C[C@@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C"]
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["82548450","CCOC(=O)CC1CC2CC(C1F)C2(C)C"]
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["16837524","COc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)cc1OCc1cccnc1"]
["929123","OCCCC1=NC2=NC(c3ccccc3)=CC(c3cccc(Cl)c3)N2N1"]
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["MCULE-8945018131","COc1ccncc1-c1ccc(=NC(=O)CN2CCOCC2)[nH]n1"]
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["176490380","CC.CC(C)C1=NC2(CC2)CS1.CC1=NCC2(CCC2)N1"]
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["112345213","CC(C)COC1=NOC2(CCNC2)C1"]
["87608220","OC(CN1CC2(CCNCC2)N=C1O)=Nc1ccccc1"]
["169922019","C1CCC2(CNC1)CO2"]
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["195991274","COc1cc(OC)c(F)c(N(CC(O)COC(C)C)C2=NC3(C)NC(c4cnn(CC(O)COC(C)C)c4)=CN=C3C=C2)c1"]
["48384216","CCC(NC)c1cnn(C(C)COC)c1"]
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["MCULE-5282271317","COc1ccc(Cn2cc(OCCOC(C)C)c(=O)cc2CNc2cc(OC)c(OC)c(OC)c2)cc1"]
["64585318","COc1ccccc1COCC(O)CN1CC(C)CC(C)C1"]
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["144947035","CNCC(O)c1c(F)cc(OC)c(Cl)c1F"]
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["143975382","O=C(NCCC1=CCCC1)C(O)=Nc1ccc(S(=O)(=O)C(F)F)cc1"]
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["57430468","Cc1ccc(C)c(N=C(O)CCCCC2C3NC(O)=NC3CS2(=O)=O)c1"]
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["176632030","[B+]C1([B+])CN2[C-]=CNC2C(=C2CCN(C)CC2)C2=[C-]CCC=C21"]
["157146742","C[C@H](C(O)=NCCC1=CCCCC1)N1CCS(=O)(=O)[C@@H](C)C1"]
["180811039","CCC(C)(CC1OC(c2c[nH+]c(O)nc2O)C(O)C1O)O[P+](=O)O"]
["176054588","[B+]=C1C=C(O)C=C2SC([O-])CC12"]
["185376967","CC(C(=O)O)C1CCC(c2ccc([O-])cc2O)CC1"]
["58921730","[CH-]C(C)OCC(OC([CH-])C)C([O+]=CC)C(O[CH-]C)C(C[O+]=CC)[O+]=CC"]
["51508796","CCC1CCC(CNCC(O)COCC(C)C)CC1"]
["95992852","C=C(C)CNCC(O)COCC(C)C"]
["182503947","CC=COCC(O)COCC(N=[N+]=[N-])OCC(O)COC=CC"]
["99543766","CC=C(O)[C@@H](O)[C@@H](COO)OO"]
["172724912","CC=CC(=O)OCC(O)COC[C@H](OCC(O)COC(=O)C=CC)[C@@H](OCC(O)COC(=O)C=CC)[C@H](OCC(O)COC(=O)C=CC)[C@H](O)CO"]
["162016977","CCC(C)C(=O)OCC(O)COCC(C)OCC(O)COC(=O)C(C)CC"]
["52665171","COC(C)OC(COC(C)O)COC(C)O"]
["79875003","CCOC(C)OCC.[C-]#[N+]CCC=O"]
["169737487","C/C=C\\NC(C)C(CC)OCCC"]
["20435187","CC(C)COC[C@H](O)CN[C@@H](C)CC#[NH+]"]
["26805645","[CH2]C(OCCC)OCC(C)C"]
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["14397161","C/C=C/[C@@H](C(O)=NC(C)(C)CC(C)(C)C)N(C)C(=O)Cc1ccc(Br)cc1"]
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["146103788","CCN(CC)S(=O)(=O)c1ccc(C)c(C(O)=NC(C)(C)CN)c1.Cl"]
["121318137","CCN(C)C(=O)C(C)N=C(O)CC(F)(F)F"]
["130260432","C=C(C)CN(C)C(O)=NCCCn1ccnc1"]
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["170760079","CNP(=NP(=NC(C)(C)CC(C)(C)C)(N=P(NC)(N(C)C)N(C)C)N=P(C(C)C)(N(C)C)N(C)C)(C(C)C)N(C)C"]
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["111564319","Cn1cc(CNc2c(Cl)ccc3scnc23)cc1C#N"]
["MCULE-7331097721","Cc1ccc(-c2ncsc2CO)c(F)c1F"]
["166404210","C/C=C(\\SC)c1c2ncsc2c(-c2ccc(CC(CC)CCCC)s2)c2ncsc12"]
["163256279","CC(=O)c1cnc(-c2ncsc2C)n1C"]
["164450601","c1ccc2c(c1)[nH]c1c3oc4ccccc4c3c3ncsc3c21"]
["MCULE-7589318547","CC(C)(C)OC(O)=Nc1ncc(-c2ncsc2CO)cn1"]
["135137720","OCCOc1ccccc1CN=C(O)Nc1scnc1-c1ccccc1"]
["200589524","COc1cc(CN=C(O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N=C(O)C2(C#N)CC2)C(C)(C)C)ccc1-c1scnc1C"]
["68304500","COc1ccc(C)c2scnc12"]
["165235281","OC(=NC1CCC(C(O)=Nc2ccc(F)cc2Cl)CC1)c1cscn1"]
["97566873","OC1c2ccccc2-c2c1nc(-c1ccccc1)c1nonc21"]
["182779569","CCC[Si](CCC)(CCC)OC(C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](CO[Si](CC)(CC)CC)(O[SiH2]c1ccccc1)OC(ON=[N+]=[N-])(C(C)(C)C)[Si](O[SiH2]C)(C(C)(C)O[SiH2]c1ccccc1)C(C)(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C"]
["76529827","CCCCOc1ccc(C=Cc2nc3sc(=Cc4cn(-c5ccccc5)nc4-c4ccc(OCC(C)C)cc4)c(=O)n3n2)cc1OC"]
["174162092","CCOC(OC)C(C)(CC[Si](C)(C)c1ccccc1)C1CCCCC1"]
["184034330","CCCCCCCCN(CCCCCCCC)ON(ON=[N+]=[N-])ON(c1ccccc1)c1cc(NC2CCCCC2)c(N=C(O)c2ccccc2)c(ON(C)C)c1ON(CC)CC"]
["33876678","CC(=O)OC[C@H]1O[C@@H](n2cc(C)c(O)nc2=O)C=C1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["34465250","CC(C)C(=O)[C@@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["25188786","CCCC[Si](OCc1c(O)cccc1-c1ccccc1)(c1ccccc1)c1ccccc1"]
["33493658","C=CC[C@H]1CC(=O)[C@](C)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CCc2ccccc2)O1"]
["101183068","COCO[C@@H](c1ccccc1)[C@@H](C)[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["182036442","CCCCc1nn(N=[N+]=[N-])c2ccccc12"]
["181608844","CCCC(C)(Cc1ccccc1)ON=[N+]=[N-]"]
["76465470","CC(C)(C)[Si](OCC1OCC(N2CC(C=CBr)C(O)=NC2=O)O1)(c1ccccc1)c1ccccc1"]
["178305844","CC(O)C(=C(C1=CC(O)CC1)C1=CC(O)C2=C(C1)CC1=C(C(O)CCC1)C2O)C(C)O"]
["175246483","COC(=O)C1=CC(O)CC1C(O)OC"]
["86905087","Cc1cc(C)c(CN[C@H](C)C2CCCC2)cc1C"]
["121499700","COC1CCCC(OC(=O)c2cc3c(C(C)C)nn(C)c3s2)C1"]
["198894347","CCN1CCC(N=C(O)Cn2cc(-c3cc4c(s3)CCNC4)nn2)CC1"]
["43546890","CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O)CC[C@]4(C)[C@H]3CC[C@]12C"]
["84219766","CCc1ccc2c(c1)[C@@H](O)CCC2"]
["96324070","COC1CCCC(OC(=O)c2ccc(NC(=O)C(C)C)cc2)C1"]
["MCULE-1582077592","CC(C1CCC1)n1cc(CCl)cn1"]
["179342649","CC1C=C(CCCC(C)CC2CCCCC2)CCC1"]
["175725769","C[C@@H](c1cc(F)cc(Cl)c1CO)N1CCC[C@H](O)C1=O"]
["179850722","COC1CCCC2=C1CC(O)C=C2"]
["178100996","C=I1(C(C)(C)C)CC(C2CC2CN2CCCN(C(C)(C)I)S2(=O)=O)CN=S1(N)=O"]
["30899640","C[C@H]1C[C@]2(CCN1Cc1ncnn1CC1CCC1)CN(C)S(=O)(=O)N2c1cccc(F)c1"]
["156665421","C[C@@H]1CN(Cc2cnn(C)c2C(F)(F)F)CCS1(=O)=O"]
["169883144","CC(C)O[C@H]1[C@@H](F)[C@H](C)O[C@@H]1CN1CCCS1(=O)=O"]
["171788991","CCOC(=O)C1CC2CC1C1C3C=CCC21C3"]
["30844945","CC1(CC2CCN(C(=O)CC(F)(F)F)CC2)SC(=N[C@H]2C[C@@H]3CC[C@H]2C3)N=C1O"]
["90234046","Cc1cccc(N2CCN(CCO)S2(=O)=O)c1"]
["89648180","CN1CC(CN)CN(C(C)(C)C)S1(=O)=O"]
["85399585","CC1(C)C(=O)N(C2(CN)CCCC2)S1(=O)=O"]
["172632448","CC(C)(C)C1CCCCC1CCCCCCCCCSCCCCCCCCCC1CCCCC1C(C)(C)C"]
["178099190","C=C(C)C(C)(F)OC1C=CC=C(CC2CCN(C3C4CC5CC(C4)CC3C5)C2=O)C1"]
["148198768","CC1CCN(C(=O)CN(C)C(=O)C(C)n2cccn2)C(CN)C1.Cl.Cl"]
["192727883","C=C1C(C(O)=[C+]C)=C(O)[C-]2C(=O)C3([O-])C(=O)C(C(=N)O)=C(O)[C@@](C)(N(C)C)[C@]3(C)C(C)(C)[C@]2(C)C1(C)C.[V].[W]"]
["17724591","Cc1ccc2c(c1)N=C(O)[C@@](C)(C(=O)N(C)Cc1c(C)nn(C)c1C)O2"]
["171361594","C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(CN=[N+]=[N-])c(O)nc1=O"]
["70092406","CN(C)C=CC(O)=C1C(=O)OC(C)(C)OC1=O"]
["9361933","Cc1cnc(C(=O)N(C)C(C2CC2)C2CC2)cn1"]
["80953551","CC1(C)C(O)=NC2(CO)C(=O)OC12C1SCCCS1"]
["144106777","CC(C)(C#N)c1ccccc1CN1C(=O)C(C)(c2ccccc2)N=C1O"]
["82311086","CC(I)OC(=O)C1N2C(=O)C(CO)C2S(=O)(=O)C1(C)C"]
["196501414","C[C@]1(N2C(=O)Cc3cc(C(=N)O)ccc32)CCS(=O)(=O)C1"]
["54031097","COc1cc(C)cc(Cl)c1C1=C(O)C(C)(C)OC1=O"]
["162165572","CC(C)=C1C(=O)C(C)(O)C1(C)C"]
["83119866","CCOC(=O)C1=C(C=CN(C)C)C(C)(c2ccccc2)OC1=O"]
["191496702","Brc1ccsc1Cc1ccc(Cc2sccc2Br)[se]1.OC(c1ccc(C(O)c2sccc2Br)[se]1)c1sccc1Br"]
["92243169","CCCNC(c1sccc1Cl)c1c(Cl)cnn1CC"]
["18950712","CCCn1c(CN2CCN(C)CC2)nc2cc([NH+]=C(O)c3ccccc3Cl)ccc21"]
["87296491","Cc1ccc2c(c1)C(O)(Cc1sccc1Br)CC2"]
["57583716","CCc1[nH]c(=N)sc1Cc1ccccc1Br"]
["54707005","CN(C1(CC(=O)O)CCCCC1)S(=O)(=O)c1sccc1Br"]
["93146467","CCSCC(C)NCc1sccc1C"]
["13998287","Cc1c(C([O-])=NS(=O)(=O)c2sccc2Br)cnn1C"]
["106282543","Cc1ccsc1[C@H](C)N[C@@H](C)CO"]
["111821292","CCC(CC)C(O)C(O)c1c(Br)cnn1C"]
["15271148","OC(/C=C/c1nccs1)=NCc1sccc1Br"]
["114252633","CCNC(c1sccc1Cl)C(C)(C)N(CC)CC"]
["188209851","CC1(NC(CC#N)=NC(=N)C(F)(F)F)C2CC3CC4C5C6C7CC8CC9C%10C2C(NC(CC#N)=NC(=N)C(F)F)(C(F)(F)F)C5(C41C3)C6(C%10(C)NC(CC#N)=NC(=N)C(F)F)C897"]
["175877821","Cc1cc(NC2=Cc3ncccc3C(N)(C3C4CC5CC3CC(F)(C5)C4)N2)n[nH]1.O=C(O)C(F)(F)F"]
["30806598","CS(=O)(=O)N1C2CCC1CC([C@H](N)C(=O)N1[C@H](C#N)C[C@@H]3C[C@@H]31)C2.O=C(O)C(F)(F)F"]
["175461773","CO[n+]1c2c(c3c(c1C(C)C)C(c1ccc(C(F)(F)F)c(C#N)c1)OC31CCOCC1)C(O)CC1(CCC1)C2"]
["89598111","CC(CN=C(O)CC#N)C12CC3CC(CC(C3)C1)C2"]
["178295894","CCC(CC)[C@]1(CN=C(O)C[C@H](C)CCC2(C)CC2/C(=C\\N)C(F)(F)F)C(/C(O)=C(\\C)O)[C@@H]1C"]
["29178788","CC[C@@H]1CN(c2ncc(C#N)cn2)C[C@H]1Nc1c(C(=N)O)cnn2cc(-c3ccc(=O)n(C(F)F)c3)cc12"]
["150082204","CC(C)(O)C#Cc1ncc(-c2ccc(F)c(C(=N)O)c2)c(C(Cc2cc(F)cc(F)c2)N=C(O)Cn2nc(C(F)(F)F)c3c2C(F)(F)C2CC32)n1"]
["158697731","CC1(C)CN(C(=O)CCCC#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1"]
["169914556","CC1(C)[C@@H]2C[C@H]1CN(C(=O)[C@@H](N=C(O)C(F)(F)F)C13CC(C1)C3)C2"]
["MCULE-9056429368","Cc1ccc(-c2cccc(C#N)c2F)cc1C(O)=NC12CC3CC(CC(C3)C1)C2"]
["195905690","CC1(C)CC(CC(C#N)N=C(O)C(CC2CC2(F)F)N=C(O)C(CC(=O)C(F)(F)F)C(C)(C)C)C(O)=N1"]
["183729313","C#CCCCS(=O)(=O)OC(OS(=O)(=O)CC#CCC)(OS(=O)(=O)C(C)CC#C)C(C)(C#COS(=O)(=O)C(CC#CC)OS(=O)(=O)C(C#C)CC)OS(=O)(=O)C(C)C#CC"]
["79079159","CC#CCCCCCCCCCCCOC(CC)C(=O)O"]
["49402606","CCC(C)S(=O)(=O)CCOc1cccc(N)c1"]
["148709995","CCCOS(=O)(=O)C(C)OS(=O)(=O)CCCCCCS(=O)(=O)OC(C)S(C)(=O)=O"]
["181900685","CCCCS(=O)(=O)OC(OS(=O)(=O)CC(C)(C)CC)(C(C)C)C(CC)(OS(=O)(=O)CC(C)C(C)C)C(OS(=O)(=O)CCC(C)(C)C)(OS(=O)(=O)C(CC)CCC)S(=O)(=O)ON=[N+]=[N-]"]
["182992483","C#CC(C)(CC)OC(C#CON=[N+]=[N-])(OC(C)C(C)C#COC(C)CC#CC)C(C)(OC#CC(C)CC)C(OCCC#CCC)(OCCCC#CC)OC(C)C#CCC"]
["181139717","CCC#CS(=O)(=O)CCCC(CCC(C)CC)(OCC)C(=O)[O-]"]
["95858711","C#CCCCC(C)(C)CC(C)N"]
["172003939","CC#CCOc1ccc(C[C@H](N=C(O)[C@@H](/C=C/CCCCCCS(=O)(=O)NCCCCCC)[C@@](O)(CCC)C(=O)OC(C)(C)C)C(=O)OC)cc1"]
["MCULE-3721985784","CCC(C)C(C(O)=Nc1cc(C)cc(C)c1)N(Cc1ccccc1Cl)S(=O)(=O)c1c(C)cc(C)cc1C"]
["73793870","CC(C)(C)C(C#CCC(COCC(CC#CC(c1ccccc1)C(C)(C)C)OS(C)(=O)=O)OS(C)(=O)=O)c1ccccc1"]
["192151273","COc1ccc(CCCCCCCCCS(=O)(=O)C(C)C)cc1OC"]
["195663169","C1=CC2C=CC(C3=C(OCC4CO4)CCC4CC=C(OC5=CC6C=C(OCC7CO7)CCC6CC5)CC34)=CC2C=C1OCC1CO1"]
["164269098","Oc1cc(-c2cc(O)c(OCC3CO3)c(O)c2)cc(O)c1OCC1CO1"]
["26291877","c1ccc(-c2ccoc2)c(OCC2CO2)c1"]
["43710722","C=C(C)C(=O)Oc1ccc(S(=O)(=O)c2ccc(OCC3CO3)cc2)cc1"]
["97797627","C/C(=C/c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1"]
["150611005","CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(C(C)(C2=CCC(OC[C@@H]3CO3)C=C2)c2ccc(OCC3CO3)cc2)cc1"]
["188137391","CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(O[Si](C)(C)Oc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1"]
["182886918","ClC1=NC2=CC(C3CCCC3)C=CC23N=CN=C13"]
["29335914","Cc1cc(C)c(OC[C@@H]2C[C@@H](O)CC(=O)O2)c(CCC2CCCCC2)c1"]
["75469296","C=CC(=O)O.Cc1ccc(OCC2CO2)cc1"]
["184508503","CC1(Sc2ccc3ccccc3c2)C=CC(COCC2CO2)=C(Sc2ccc3ccccc3c2)C1"]
["76146295","CCc1oc2c(OCC3CO3)cccc2c1C(C)=O.c1cc2ccc1=2"]
["175496263","O=C(O)C/C=C(/OC(=O)CCC(OC(=O)CCCC(=O)OC(CCC(O)O)C(O)=[NH+]CCCC(=O)O)C(O)=NCCCC(=O)OC(CCC(=O)O)C(O)=NCCCC(=O)O)C(O)=NCCCC(=O)O"]
["66443545","CCOC(=O)CN(C)C(O)=NCCCCC(=O)O"]
["78153178","CCCCC(O)CN=C(O)C1C2CCC(C2)C1/C=C/CCCC(=O)O"]
["123774567","CC(C)OC(=O)CCCN=C(O)Nc1cccc(C(F)(F)F)c1"]
["100479531","C=CCC(C)OC(=O)CCCC(=O)OC(C)CCCCCCCC"]
["148396568","COc1cc(OC)cc(Oc2cccc(CNC(O)=NCCCC(=O)O)c2)c1"]
["186238671","O=C(O)CC[C@H](NC(O)=NCC1OC1O)C(=O)O"]
["125654646","CC(O)=NCCCC(=O)OC(C)c1cccc(F)c1"]
["56117016","CCOC(=O)CN(CC(O)=NCCCC(=O)O)C1CC1"]
["MCULE-7570251710","O=C(O)CCCN=C(O)NS(=O)(=O)c1ccc(CCN=C(O)C23CC4CC(CC(C4)C2)C3)cc1"]
["129826343","COC(=O)CCCN=C(O)CN(C)C(C)c1sc(C)nc1C"]
["60764474","COc1ccc(NC(O)=NCCCC(=O)O)c(OC)c1"]
["78396109","CCC1O[C@@H](C(C)C)C(C)[C@@H](C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@@H]2OC(CC)[C@H](C)[C@H](O[C@@H]3OC(CC)[C@H](C)[C@H](C)C3O[C@@H]3OC(C)[C@@H](C)[C@H](C)C3C)C2C)[C@H](O[C@]2(C)C[C@@H](C)[C@@H](C)C([C@H](C)[C@H](C)CC)O2)C1C"]
["168980147","CO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OC[C@H]2[C@@H]3O[C@H]3CCC(=O)[C@H](C)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@](O)([C@H](C)O)[C@H]3O)[C@@H](C)/C=C/C(=O)O[C@@H]2C)[C@@H]1OC"]
["66616969","CC[C@@H](O)C[C@H](O[C@H]1O[C@@H](CC)[C@@H](O)C1O)[C@H](C)CC"]
["154266592","CC[C@H]1OC(=O)[C@@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O)[C@@](C)(O)C[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H]1C"]
["154280364","C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@@]54C)[C@@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O"]
["62389240","CCCCCCCCCC(CCCCCCCCC)C(=O)OCC1O[C@@H](O[C@@H]2OC(COC(=O)C(CCCCCCCCC)CCCCCCCCC)[C@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C"]
["77389095","CCC1CC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O"]
["147720646","CCC1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](C)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](O)C2)O1"]
["164454766","CC[C@H]1OC(=O)C(C)[C@@H](OC2C[C@@](C)(OC)C(O)[C@H](C)O2)[C@H](C)C[C@](C)(O)C[C@@H](C)CNC(C)C(O)C1O"]
["34531067","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2O[C@H](OC)[C@@H](OC)[C@@H](OC)[C@@H]2C)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H]1C"]
["60648231","CC[C@@H](C)[C@@H](C)C1OC(C)(OC)CC(C)C1C"]
["51803806","CCC1O[C@@H](O[C@H]2C(CC)O[C@@H](O[C@H]3C(C)C(C)C(O)O[C@@H]3CO)[C@H](C)C2C)[C@H](C)C(C)[C@H]1O[C@H]1O[C@H](CC)[C@@H](O[C@H]2O[C@H](CC)[C@@H](O[C@@H]3OC(CC)[C@H](O[C@@H]4OC(CC)[C@H](C)[C@H](C)C4C)C(C)[C@H]3C)C(C)C2C)C(C)C1C.[Ac].[Ac]"]
["113408243","FC(F)Sc1ccc(-c2cc(=S)cc[nH]2)cc1"]
["7670853","OC(=Nc1nccc[nH+]1)C1CCN(Cc2ccc(SC(F)F)cc2)CC1"]
["12755960","COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1"]
["75587549","CN1C(=N)NC(c2cc(CCC3CC3)ccc2C[C@H]2CC[C@@H](OC(F)F)CC2)C1=O"]
["15675716","C[C@@H]1CCCCN1C(=O)CNc1ccc(SC(F)F)cc1"]
["75787211","CC(=CCCO)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1"]
["138308066","OC(Cc1c[nH]c2ncccc12)=Nc1ccc(SC(F)F)nc1"]
["112542770","N=c1cc(NCC(O)C(F)F)cc[nH]1"]
["195316274","c1ccc2c(c1)c1ccccc1c1cc(-c3ccc4cc[nH]c4c3)ccc21"]
["66192242","C[Si](C)(C)CCSc1cc(F)cc(-c2ccc(F)cc2)c1"]
["43912717","O=C(Nc1cccc2[nH]ccc12)c1ccc(-c2ccc(F)cc2)o1"]
["43012289","CCOc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1"]
["180133339","Ic1ccc(C2(c3c[nH]c4c3=C[CH-][CH-]C=4)CC[Cl+]CC2)cc1"]
["147807696","Ic1ccc(C2=C(c3ccc(I)cc3)C23c2ccccc2Oc2ccccc23)cc1"]
["171293140","Ic1ccc(C2(I)C=CC=CC2)cc1"]
["190952863","CCN(CC)N=Nc1ccc(-c2cnc(C)nc2NC2CCCC2)cc1.Cc1ncc(-c2ccc(I)cc2)c(NC2CCCC2)n1"]
["171362581","Cc1c(C2(c3ccc(C(F)(F)F)nc3)CC2)c[nH]c1C(O)=NCCc1cc(C(N)=O)n[nH]1"]
["69579735","COC(=O)C1CC(OC)(c2ccc(I)cc2)CN1"]
["47072180","Cc1ccc2n1CCN(C(=O)c1ccc(I)cc1)C2C"]
["85393110","NC1CCC(=Cc2ccc(I)cc2)C1"]
["141149314","OC(Cc1c[nH]c2ncccc12)=NCC1(Cc2ccccc2)CCCC1"]
["121830434","CC1CN(S(=O)(=O)c2ccc(I)cc2)C(C)(C)CO1"]
["110984039","Cc1[nH]c(C(C)C)c(CNO[C@H]2CC[C@@](C)(OCc3ccc(I)cc3)CC2)c(=O)c1C"]
["169811052","Ic1ccc(C23CC(c4ccccc4)(C2)C3)cc1"]
["174989594","CC1=CC(C#Cc2cc(N)cc(C#Cc3cc(C#Cc4cc(N)cc(C#Cc5cc(C)cc(C)c5)c4C)cc(C#Cc4cc(N)cc(C#Cc5cc(C)cc(I)c5)c4C)c3)c2C)=CI=C1"]
["197051465","Cc1cc(I)cc(C(=O)OC(C)C)c1N"]
["120428617","Cc1c(C#N)c(N)n(-c2cc(I)ccc2Cl)c1C"]
["120147996","N#Cc1cc(N)cnc1Nc1ccc(I)cc1Cl"]
["86438991","Cc1c(NN)ncnc1Nc1cccc(I)c1"]
["74399719","CCO[C@@H](Cc1ccc(OCC=C(C)C#Cc2cc(I)cc(I)c2)c(I)c1)C(=O)O"]
["111465415","CCN(CC(=N)O)C(=O)c1cc(C)cc(C#CCO)c1"]
["168656118","Cc1cc(C)cc(N=c2sc(C3=c4cc(I)ccc4=NC3=O)c(O)n2-c2cc(C)cc(C)c2)c1"]
["59965872","C#Cc1ccc(C#C)c(C#CC2=C[C+](C(C)C)C(=[N])C(C(C)C)=C2)c1.[Mo]"]
["45789746","Cc1cc(C)cc(-c2nc(C(C)C)n(CC(C)C)c2N)c1"]
["53711136","Cc1cc(C)cc(C(O)=NC2(CN)CCCC(C)C2)c1"]
["171349349","Nc1c(O)cc(-c2cc(O)c(N)c(C#Cc3ccccc3)c2)cc1C#Cc1ccccc1"]
["149605389","C1=C2CC=c3ccc4c5c3=C2C2C(=C1)CC=C(CC=4)C=52"]
["74664784","NCCCC1=c2ccccc2=CC=C2C1=C(F)C(F)=C(F)C2F"]
["178691852","C/C=C(/Cl)C1CC=c2ccc3c(Cl)ccnc3c2=C1N"]
["78148338","[C-]1=C2C=C[CH+]C=C2CC=C1c1ccccc1"]
["115066580","Nc1cccc(CSC2COC2)c1Br"]
["33575304","C[C@@H]1C[C@H](N2CCCC2)c2ccccc2N1"]
["179530344","CC1CC=c2ccc3c4c2=C1C[N+]4=CCC3C"]
["175708419","OC1CC=c2ccccc2=CC1"]
["96235176","N[C@H]1CC(c2csc3ccccc23)Oc2ccccc21"]
["89525557","NCC1CC(C2CC2)c2ccccc21"]
["79069803","[C]1=C(C2=CCC2)C(C2=CC2)CC1"]
["149853651","N=C1CC=C2c3ccccc3C3=CCC=C1C32"]
["175359403","C1#CC2CCC(C1)c1cc3c4n5c(c3cc12)=CC1=[NH+]C(=CC2=[N+]3C(=Cc6c7cc8c(cc7c(n6[C@H]53)C=4)C3CCC8CC3)c3cc4c(cc32)C2CCC4CC2)c2cc3c(cc21)C1CCC3CC1"]
["193956181","Cc1ccc2c(-c3cc4c(cc3C)C3CCC4CC3)[n+](C)ccc2c1"]
["143438732","CCOC(=O)c1c(C2CC2)csc1N=C(O)Cn1cc(Cl)[n+](C)c1"]
["150667378","CC(=O)c1nn(CC(=O)N2CC[C@H]2C(O)=Nc2cccc(C)n2)c2ccc(-c3ccc(F)nc3)cc12"]
["27582741","CN=C(O)c1c2cc(C3CC3)c(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1"]
["MCULE-5344582140","Cc1cc(-n2cc(C3CC3)c(O)n2)cc(C)c1O"]
["128464557","CCN(CC)C(C)CNC(=O)C(O)=Nc1cc(C2CC2)nn1-c1ncccn1"]
["177443593","CCN=C(O)c1csc2c(C3CC3)cc(N3CCN(CC(O)=NC(C)C)CC3)nc12"]
["29581699","Cn1cnc(COc2nn3c(-c4ccccc4)nnc3cc2C2CCCC2)n1"]
["180226088","Brc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc4c(c3)C3CCC4CC3)c3ccccc23)cc1"]
["23763568","Cc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)CN1CCCC1=O"]
["170736597","CC1(O)CCN(C2CCc3cc(-c4ccc(C5CC5)c(Cl)c4)ccc32)C1"]
["179402579","CC1=CC=C(C(C)C)C2N=C=Nc3c(C(C)C)ccc4c3OC35CC3c3c(ccc(C(C)C)c3N=C=Nc3c(C(C)C)ccc(C)c3OCC5COC12)C4"]
["100841592","Cc1cc(N=C(O)c2cc(-c3cnc(O)c(N=C(O)OCc4ccccc4)c3)ccn2)ccc1C(C)C"]
["128850963","CC(c1ccccc1Cl)N(C)C(=O)C(O)=Nc1ccnn1CC1CCOC1"]
["99449889","CC(C)c1ccc2c(c1-c1ccccc1)C=C(c1ccccc1)C2"]
["98748204","CC(=O)c1c(C)c(NC(=O)OCC(Cl)(Cl)Cl)c(C)c2c1OCC2c1ccc(C(C)C)cc1"]
["108303724","Cc1ccccc1NC(O)=Nc1cnn([C@@H]2CCOC2)c1"]
["166618606","CC[C@@H]1CN(Cc2cc([C@H](CC(=O)OC)c3ccc4c(nnn4CC)c3C)sc2C)S(=O)(=O)c2ccccc2O1"]
["MCULE-1882767333","CCC1Cc2cc(OC)ccc2N(c2cc(Nc3ccccc3C(C)C)nc(-c3ccccc3)n2)C1"]
["134577865","Cc1c(C(C)NC(O)=NCC2CCCOC2)cnn1-c1ccc(F)cc1"]
["148667323","CC1O[C@@H](O[C@H](C)CCCCC(=O)O[C@@H](CN=C(O)CCC(=O)O)c2ccccc2)[C@@H](O)C[C@H]1O"]
["22916800","Cc1ccc(-c2nc(N=C(O)C34CC5CC(CC(C5)C3)C4)sc2-c2ccccc2)cc1"]
["161066315","Cc1ccc(C(C)C)c(OCC(=O)N2CC3(CCNCC3)[C@@H]3COC[C@@H]32)c1"]
["101691575","CN1C=CN(/C=C/CCN2C=CN(C)C2C=N[O-])C1C=N[O-].Cl.Cl"]
["49584265","CCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCC)C1CCCCC"]
["76703197","CN1C=CN(COCc2ccc(C(F)(F)F)cc2)C1C=NO"]
["67963536","CCCCCCCCN1C=CN(CCC)C1CCC"]
["57555840","CN1C=CN(C)C1/C=C/c1cccn1C"]
["57639063","CCCCCCCCCCCCCCCCCN1C=CN(C)C1CCCCC"]
["61020296","CCCCCCCCCCCCN1C=CN(CCCCCCCC)C1CCCC"]
["173930483","CC/C(C)=C(\\C)C1=C(C)N(C)C=CCC1C"]
["112829774","Cc1cnn(CCN=C(O)C2(CN)CCC(C)CC2)c1"]
["73577717","C[C@]12CCC(SCCN3CCCC3)CC1=CC[C@@H]1[C@H]2CC[C@]2(C)C(c3ccoc3)CC3O[C@]312"]
["183029089","CC1=C2C(=CC=CC2(N)N)N(C)C1C"]
["59797089","CCCCCCCCCCCCCCCN1C=CN(CCCC)C1CCCCCCCCCCC"]
["74713735","[C]1=C2N=C=[N+](c3ncnc2n3)C1C1=CC=C=N[N-]1"]
["73885637","Cc1cccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)[nH]c12"]
["44164266","Cc1cc2c(Sc3cc(C(=O)O)ccn3)ncnc2s1"]
["24862618","[c]1nc2ncnc-2c[nH]1"]
["168291983","Oc1ccccc1-c1ncnc(-c2ncnc(-c3ccccc3O)n2)n1.[Pt]"]
["178543372","Cc1ncc2c(n1)=CN=C=CC=2"]
["45598774","Cc1ncnc(-c2c(C)c(C)c(C)c(C)c2C)n1"]
["179174474","Clc1cccc([C@H]2C=C(c3ncnc(-c4ccccc4)n3)C=CC2)c1"]
["25053074","CCCCc1nc2ncnc-2[c][nH]1"]
["178345133","COn1c[n+](N(C)C)c2ncnc([NH3+])c21"]
["168291984","Oc1ccccc1-c1ncnc(-c2ncnc(-c3ccccc3O)n2)n1"]
["158565545","CN=c1nc(Cl)nc[nH]1.Clc1ncnc(Cl)n1"]
["96642121","c1c2c(cc3cc4cc5cc6c(cc5cc4cc13)=S=S=N6)=NSS2"]
["173893010","CCCOC(CC[Si](OC)(OC)OC)C1(C)C=c2cc3cc4cc5cc6cc7cc8ccccc8cc7cc6cc5cc4cc3cc2=CC1"]
["56051230","Cc1cc(C)nc(OCC(C)(C)N)n1"]
["74088865","Cc1[nH]nc2nc(-c3cn(C)c(=N)s3)c3c(F)cc(O)c(F)c3c12"]
["45751400","CCC(C)(N)c1noc(-c2cncc(C)c2)n1"]
["65371665","CC(C)(N)CSCc1csc(C(=O)O)n1"]
["13015254","CSc1nn2cc(C(C)(C)C)nc2s1"]
["162807037","Cc1cc(-c2ccc(N)c(C)n2)sn1"]
["97581987","c1c2c(cc3cc4cc5cc6c(cc5cc4cc13)=NSS6)=NSS2"]
["57694108","CCc1nc(CSCC(C)(C)N)cs1"]
["52594055","CC(C)(C)SCc1nc(-c2cc(C(=O)O)cs2)cs1"]
["53387951","OC1=Nc2cscc2N/C1=C1\\C=c2cc(C(O)=Nc3nncs3)ccc2=N1"]
["169814169","C[Si](C)(O)O[Si](C)(C)C12B=B[B+]B=BC([Si](C)(C)O[Si](C)(C)O)(B=B1)B=[B-]=B2"]
["172961170","CCO[Si](O[Si](C)(C)O[Si](C)(C)O)(C(C)C)C(C)C"]
["60047793","C[Si](C)(O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O"]
["54988396","CC(C)CC1N=C(O)CC1(C)c1ccco1"]
["97861545","CC(C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si](O)(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C"]
["175026037","C[Si](C)(C)O[Si](C)(C)OO[Si](O)(O)O"]
["195652088","CO[Si](C)(O)[SiH]=O.C[Si](O)(O)[SiH]=O.C[Si](O[SiH3])(O[SiH3])[SiH]=O"]
["172961159","CCO[Si](C)(C)O[Si](C)(O[Si](C)(C)O)c1ccccc1"]
["63287107","C[Si](C)(O)O[Si](C)(C)O[Si](C)(C)C1CCCC1"]
["161492530","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O"]
["45021402","C[Si](C)O[Si](C)(C)O[Si](C)(C)O"]
["194006472","C=C[Si]1(O)O[Si](O)(C=C)O[Si](O)(C=C)O[Si](O)(C=C)O1.C[Si](C)(O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O"]
["91258677","C[Si](C)NCCN[Si](C)(C)N1CCN([Si](C)(C)N2CCN([Si](C)(C)N3CCN[Si]3(C)C)[Si]2(C)C)[Si]1(C)C"]
["132174721","Cc1c[nH]ccc1=NC(=O)N1CCCCC1c1nc[nH]n1"]
["28463491","COC[C@@H]1CCCN1C(=O)c1cc(C(=O)c2c(-c3ccc(Br)cc3)noc2C)c[nH]1"]
["96172926","COc1cccnc1NCCC(=O)N1CCOCC1"]
["119030396","CC1CCN(C(=N)NCCOc2ccc(Cl)cn2)CC1.I"]
["MCULE-6515389055","CS(=O)(=O)N1CCC(C(=O)OCCc2ccncc2)CC1"]
["119030415","CC1CCN(C(=N)NCCOc2ccc(C(F)(F)F)cn2)CC1"]
["114831161","CCCOCC(=O)N1CCCNc2ccccc21"]
["MCULE-6080703640","COCCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1"]
["174504347","CCO[SiH](OCC)C1=NCCS1"]
["127100574","Cc1cc(CN2CCN(C(=O)N=c3cc[nH]cc3C)CC2)on1"]
["151466803","C[C@@]1(c2cc[nH]n2)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1"]
["78587873","CCC(C)[SiH]1O[SiH2]O[SiH2]O[Si](C(C)CC)(C(C)CC)O[Si](C(C)CC)(C(C)CC)O1"]
["78567969","CCC(C)C(=O)N(N)CC(F)F"]
["92966482","CCC(C)[C@@H](O)C(F)(F)F"]
["133881034","CCOC(=O)CN(C)C(=O)CN(C)CC(C)CC"]
["195299532","CCC(C)[N+]1(C)ONO[N+](C)(C)O1"]
["175213288","CCC(O)C(CC)C(=O)N(C)CC"]
["181774260","CC(C)C1(C(C)C)CC1[SiH]1O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1"]
["174915054","C[SiH]1O[SiH2]O[SiH2]O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1"]
["10737022","CCOC(=O)[C@@H](CC)C(=O)C(F)(F)F"]
["175226024","C(OCC1CO1)C1CO1.CCC[SiH]1O[SiH2]O[SiH2]O[SiH2]O1.O"]
["181803120","CCC(I)C(C)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F"]
["200085258","C=C[Si]12O[Si]3(C(C)CC)O[Si]4(C(C)CC)O[Si](C(C)CC)(O1)O[Si]1(C(C)CC)O[Si](C(C)CC)(O2)O[Si](C(C)CC)(O3)O[Si](C(C)CC)(O4)O1"]
["168453118","COC(=O)CO[Si]1([Si+](C)C)[Si](C)=[Si]2[Si](=[Si](C)[Si]1=[Si](C)C)[Si](C)=[Si](C)[Si](C)=[Si-]2(C)OCC(=O)OC"]
["56465802","COC(=O)CCCN(C)C(=O)C(O)=Nc1ccc(C)cc1"]
["79182648","COC(=O)CC(C)=O.[Ag]"]
["60387878","COC(=O)C[C@@H](N)c1ccc(Cl)c(F)c1"]
["96902393","COC(=O)CC1C[S+](=O)(c2ccccc2)Nc2cc(C)ccc21"]
["43851036","CNS(=O)(=O)c1cc(N=C(O)COC(=O)C2(c3ccccc3)CC2)ccc1C"]
["22953203","Cc1nc(C2CC2)nc2sc(C(=O)NC3CCCC(C(F)(F)F)C3)c(C)c12"]
["95401182","COC(=O)CN(CC(=O)OC)c1ncccc1OC"]
["66850035","CNS(=O)(=O)c1cc(N=C(O)COC)ccc1C"]
["12237773","COC(=O)COc1c(I)cc(/C=C2/N=C(O)N=C2O)cc1OC"]
["88920333","COC(=O)Cn1c(O)nc2cccnc21"]
["89577550","COC(=O)CC1NCCC12CCCC2"]
["186889868","C/C=C(\\C=C/C(=C\\C)S(=O)(=O)C(/C=C\\C(=C/C)OC(C)(C)C)=C/C)OC(/C=C\\C(=C/C)S(=O)(=O)C(/C=C\\C(=C/C)C(C)(C)C)=C/C)=C/C"]
["123964971","CC(CS(C)(=O)=O)N(C(=O)OC(C)(C)C)C1CC1"]
["98431418","CC(C)(C)OC(=O)[C@]1(CCC=O)CCCC1=O"]
["32101265","CC(O)=NS(=O)(=O)NOC/C=C(\\C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["97101218","CC(C)(C)OC(=O)/C=C/C(=C\\c1ccccc1)c1ccccc1"]
["161227844","C/C=C(/C)C(O)(CCC(N=C(O)OC(C)(C)C)C(C)C)/C(C)=C/C"]
["163632088","Bc1cc(=NC(=O)OC(C)(C)C)[nH]n1BF"]
["79445768","CC(C)(C)OC(=O)OOCCOOC(=O)OC(C)(C)C"]
["187080845","C=Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c1"]
["1577733","Cn1cccc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O"]
["75633033","C[CH]C(N=C(O)OC(C)(C)C)Sc1ccccc1"]
["64137965","CC(C)(C)OC(=O)c1ccccc1-c1ccccc1F"]
["180652811","N=[N+]=CC1CC2=NC21"]
["90526410","CC1CC(C[N+](C)(C)C)CC([O-])=N1.I"]
["84269738","N=C(O)C1=CC(N)CC1=O"]
["32208329","CCCCN=C(O)C1Cc2ccccc2C(O)=N1"]
["54661989","N#[N+]/C=C(/O)OCC1N=C(O)C(CO/C(O)=C/[N+]#N)N=C1O"]
["43362642","CC1CC2N=C12"]
["190446393","C=C1CC([N+](C)(C)C)C1.[I-]"]
["MCULE-6383235409","Cn1cnc(C2CC2CCCl)c1"]
["81116568","CC1N=C(O)CC(C=O)N1"]
["105497910","C[C@@H]1Cc2nc(O)c(C=O)cc2[C@H](C)C1"]
["26901900","CC1(C)[C]2CC1CC=C2C=O"]
["78371705","CCC(C)/C=C1\\CC1C"]
["173122740","CCCCNC#CCNN(CCCOC)N(CCCO)N(CCCOC)N(C(CCO)N(CCCOC)N(CCCOC)N(CCCO)NCCCO)N(C)CCCOC"]
["53137002","CCCNCc1oc(CN(C)CCCOC)cc1C"]
["84637175","CCCNC1CCC(N(C)CCCOC)CC1"]
["163634892","CCCN(CCCO)C(=O)c1sc2c(c1C(F)F)c(=O)n(CCC)c(=O)n2CCOC(F)(F)F"]
["111432063","C=C(CNC)CN(C)CCCOC"]
["53350287","COCCCN(C)C(=O)c1ccc(C#CCO)cn1"]
["92908756","CCCC(N)CNS(=O)(=O)CCCOC"]
["8365990","CCCC[C@@H](CC)CN=C(O)[C@H]1CC(=O)N(CCCOC)C1"]
["118401584","CCN=C(NCCN(C)CCCOC)NCCN1CCN(C(=O)OC(C)(C)C)CC1"]
["136686745","COCCCN(C)CCN=C(O)NC(C)c1noc(-c2ccc(Cl)cc2)n1"]
["61432183","COCCCN(C)c1nccc(C(=O)OC)c1N"]
["178679533","C=[N+](CI=CCC(CCCCC)N(CCCI)C(C)CC)NC"]
["177054365","[B+]=C1[C-]=C2C(=CC1Br)C1CCC2O1"]
["176236257","[B+]=C1[C-]=C(c2ccc(C3CCC(C)CO3)cc2)C=C(F)C1C"]
["99351042","[B+]=C1[C-]=CC=C(Br)C1Br"]
["74385292","O=CC[C@H]1CC[C@@H](c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1"]
["47747128","CNC1C[C@@]23Oc4c(cc(Br)c5c4CN=C5O)C[C@]2(C)[C@@H](C)CC[C@H]3C(C)(C)C1Br"]
["175230598","CC.[B+]=C1C=[C-]C2OC(N(N)/C=C(\\N)C(C)=O)=CC2=C1"]
["119337526","Brc1ccc(-c2ccc3c(c2)C2CCC3O2)nc1"]
["61988531","CCCOc1c(OCCCCBr)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)O"]
["87739182","Nc1cc(Cl)c2oc(C3CC3)nc2c1"]
["185395364","ClC1=CC(Br)CCCC1"]
["162102434","O=C1CCCC(c2ccccc2Br)O1"]
["MCULE-7273354445","Cc1cc(Cl)nc(-n2nc(C3CCC3)c(C(F)(F)F)c2N)c1"]
["189958791","CC1=CC=C(C#CC2=C(F)C=C(C3=CC(C)=C(SC#N)CC3)CC2)CC1"]
["176881290","CC1=CC=C(C2=CC=C(C(C)CCC(C)C)CC2)CC1"]
["187085014","CC1=CC(C)=C(C#N)C(S)N1"]
["108438985","Cc1c(Cl)cccc1OCC(O)=N[C@@]1(C#N)CCSC1"]
["175496238","CC1=CC=C(C(=O)Oc2ccc(F)c(F)c2)CC1"]
["91392109","CC1=C(C)CC(c2c(F)c(F)c(F)c(F)c2F)=C1"]
["175604708","CC1=CC=C(c2cc(-c3ccc(C)cc3)c3ccc4c(-c5cc(C(F)(F)F)cc(=IF)[cH-]5)cc(-c5cc(C)cc(C(F)(F)F)c5)c5ccc2c3c54)CC1"]
["176566032","C/C1=C\\C=C/C=C(/C#CC2(/C=C\\N(C)c3ccc(F)cn3)C=CC2)CC1"]
["149635880","CC1=CC(c2c(C)oc(C)c2C)=CC2=C(C=CC(C(CC#N)C3CCCC3)CC2)CC1"]
["163308884","CC1=CC(=C2C=C(C#N)ON2)C(=O)C(F)=C1"]
["174317502","CC1=CC=c2cccc(CCC#N)c2=CC1"]
["81823043","CN1CCC(=O)N(CCC#N)C1=O"]
["83961884","CC(C)(C)SC#CC(SC(C)(C)C)=C(SC(C)(C)C)SC(C)(C)C"]
["84111031","CC(C)(C)SC=C1CC(Cl)(C#N)C1"]
["26852205","CC(=O)SC(C)(C)C(=O)Cl"]
["91222190","CC(C)(CO)C(=O)C#N"]
["185468966","CC(=NO)SC(C)(Cl)Cl"]
["97834256","COC(=O)C(CC[N+](=O)O)C(CC(=O)SC(C)(C)C)c1ccccc1"]
["78425984","CC(I)(I)C(=O)C#N"]
["55146835","Cc1csc(/C(C#N)=C/c2csc(C)n2)n1"]
["163275986","CC(C)(O)Cc1ccccc1C1(C#N)CC1"]
["113149319","CCC(CC)(CO)CN=C(NC#N)SC"]
["197443829","CC(C)(C#N)C1C(C)(C)C1(C)C"]
["49367693","C=CCC(O)(CSC(C)(C)C)CSC(C)(C)C"]
["195921817","NC1=C=CC2=c3ccc4c5c(N)c6c(N)c7cc(N)c(N)cc7c(N)c6[c-](N)c-5c5ccc(c3c45)C2=C1.[Np]"]
["180706700","Cc1c(N)cc(N)c(-c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c1N"]
["67601498","Nc1ccc(-c2cccc(S)c2)c(N)c1S"]
["34748091","COc1ccc2c(c1N)OCCC=C2c1cc(OC)c(OC)c(OC)c1"]
["98190872","COc1cc(-c2cccc3c(N)c4c(=O)n(C5=CC=C5)cc-4[nH]c23)c(OC)nn1"]
["195775896","NC1(N)c2ccccc2-c2c1ccc1c(-c3ccc4ccccc4c3)c3c4c(ccc3c(-c3ccc5ccccc5c3)c21)C(N)(N)c1cc(-c2ccc3ccccc3c2)ccc1-4"]
["73568072","Nc1[c]ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1"]
["99643348","[B+]=c1ccc2ccc3ccc(=C4C=C(c5ccc6c(c5)C(C)(C)c5ccccc5-6)C=CC4=[N+]([O-])[O-])c4ccc1c2c34"]
["86702856","Cc1c(N)cccc1S(=O)(=O)CCCC(C)(C)C#N"]
["195809306","Cc1ccc(-c2c3ccccc3c(C)c3cc(N)c(N)cc23)cc1"]
["46427076","O=COc1ccc2c(c1)nc1c3ccc(C(=O)O)c4c(-c5ccc6c7c5c(OC=O)ccc7c(=O)n5c7cc(C(=O)O)ccc7nc65)ccc(c(=O)n21)c43"]
["188769178","CSc1c(F)c(F)c2n[nH]cc2c1-c1ccc2nc(C)sc2c1"]
["173929045","CC(C)(B=c1c(F)c(F)c(F)c(F)c1=C1C(F)=C(F)[C](F)C(F)=C1F)c1c(F)c(F)cc(F)c1F"]
["68981485","Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(F)c(F)c(F)c2F)s1"]
["100551074","CC(C)(C)N=C(O)c1c(-c2ccc(F)c(F)c2)nn2c1CN(C(=N)O)CC2"]
["75016773","CC(C)(C(=O)CCl)c1cc(F)c(F)c(F)c1"]
["88078623","Fc1cc2c(Br)nccc2c(F)c1F"]
["183078541","CCc1c(F)c(F)cc(F)c1C(=O)OC(C)=O"]
["178146677","C/C=C(/C(=O)O)C(=O)c1cc(F)c(F)c(F)c1NC1CC1"]
["MCULE-4835193360","Cc1cc(F)ncc1-c1cc(F)c(F)c(F)c1N=C(O)COC(C)(C)C"]
["52507393","Cc1cc([B-](c2cc(C)c(F)cc2F)(c2cc(C)c(F)cc2F)c2cc(C)c(F)cc2F)c(F)cc1F"]
["13506301","Nc1c(F)cc(F)c(F)c1F"]
["55910737","CN(C(C)(C)C(=O)O)S(=O)(=O)c1ccc(F)c(F)c1F"]
["111666452","CC(C)(CCN)c1cc(F)c(F)cc1F"]
["175816933","CC[C@H](C)[C@H]1C(C)NC2(CCCC2)CNCCN=CC=C(CCc2ccc(C(F)(F)F)c(Cl)c2)NC=CN(C)C=C(Cc2ccc(C)cc2)N(C)C=C2CCCN2[C@@H](C)C(C)N[C@@H]([C@@H](C)CC)CN[C@@H](CC(C)C)C(C)NCC2[C@H](C)CN21"]
["80470471","CCCN1C(=O)C2CCC(C(O)=NC(C)C)CC2N2C(SCc3ccc(C)cc3)=NNC12"]
["171917206","CC[C@H](C)[C@@H]1N=C(O)[C@H](CC(C)C)N(C)C(=O)C[C@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)C2(CCCC2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)N=C(O)CN(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)[C@@H]2CCN2C(=O)[C@H](C)N(C)C1=O"]
["187929432","Cn1nc2cc1CCc1cc3c(c(c1)OCCCc1c(C(O)O)n(C)c4c(c(Cl)ccc14)-c1c(nn4c1CCCC4)CNC2)NCCC3"]
["148591361","Cc1ccc(N2CCC(N=c3[nH]c(N=c4cc(C(C)(C)O)n(C)[nH]4)ncc3Cl)CC2)nc1"]
["190864284","Cc1ccc(C(F)(F)F)c(C(=O)N2CC[C@@H](CNc3cnc4cc(Cl)ccc4n3)C2)c1.Clc1ccc2nc(NC[C@@H]3CCNC3)cnc2c1"]
["81405731","CCCCCOc1ccc(-c2ccc(C(=O)NC3CCCN=C(O)C4CC(N)CN4C(=O)C(CCCN)N=C(O)C(CCc4ccc(O)cc4)N=C(O)C4CCCN4C(=O)C(CO)N=C3O)cc2)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1"]
["186480069","Cn1ccc2c(C(c3cn(C45CC(C4)C5)nn3)N(C(=O)O)c3cc(Cl)c4ncc(C#N)c(NCC(C)(C)C)c4c3)cccc2c1=O.O=C(O)C(F)(F)F"]
["199183829","C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3S(=O)(=O)C3COC3)c3nc(-c4c(F)cccc4C(F)(F)F)c(Cl)cc23)[C@@H](C)C1"]
["175899318","Cc1c(Cl)c2c(Cl)c(C)c1-c1c(-c3ccc(F)cc3)sc3ncnc(c13)O[C@@H](C(=O)OC(C)(C)C)Cc1cc(ccc1OCc1ccnc(C3=CC[C@](F)(COC[C@H]4COCCO4)CC3)n1)OC[C@@H](CN1CCN(C)CC1)O2"]
["193925290","CO[C@@H]1CCN(c2nc(-c3c(C)ccc4c3c(C)nn4S(=O)(=O)c3ccc(C)cc3)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C.CO[C@@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C"]
["198274307","Cc1c(N=C(O)N2C[C@@H](CC(C)C)[C@@H](O)C2)cc(F)cc1-c1ncnc2[nH]c(-c3ccc(CCN4CCC5(CCNCC5)CC4)cc3)cc12.Cl"]
["178402755","C[I+]CCSC1[N-]C=[C-]S1"]
["178569366","[C-]1=C[N-]C2SC3[I+][C@@H]3N12"]
["44668687","C[C@H]1CCC[NH+](CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1"]
["42139476","CCC1=[C-]SC1C"]
["123985634","CCc1ccc(NC(=O)CSC2CCOCC2)cc1"]
["MCULE-2149115354","Cc1cc(C2C(CO)C2(F)F)cc(Cl)c1O"]
["186623942","CCC1CC(N(C)c2nc(Cl)cc(Cl)n2)CC(CC)N1C(=O)OCCOC"]
["178398271","C[I+]CC1=CC=[C-]C(C)[N-]1"]
["88231688","CC1OCCC1NC1CCCc2cc(O)ccc21"]
["186575112","CCC[C@@H]1NC(=O)c2cc3cnc(Cl)nc3n2[C@H]1C"]
["178899158","C[I+]CC[C-]1[C-]=S=CC1"]
["178533721","COCC[I+]CC(F)(F)C1[C-]=CC(Cl)=C[N-]1"]
["172019417","O=CC1=C2C=CC=CC2N2C=CC3=C4C=CC=CC4NC3=C12"]
["83455404","O=C1C2=CC3C=CC=CC3=CC2=NC(=S)N1CCC1=CCCCC1"]
["173425236","CC1=C2C=CC=CC2Oc2ccccc21"]
["69624543","O=C1N=CC=NC1=C1N=C2C=CC=CC2N1"]
["6371991","O=C(CS[C@H]1Nc2ccccc2C(=O)N1C1CCCC1)C1=NC=CC1"]
["170083198","CN1C=CC=C(C=O)C1F"]
["189904431","O=C1CCC2=C3C=CC=CC3N=C(O)N12"]
["20292237","O=C1c2ccccc2N[C@@H]([C@H]2C=NN=C2c2ccccc2)N1[O-]"]
["186072370","C=Cc1n[nH]cc1C1=CNC(C2=CC3C(N4CCN(C)CC4)=CNC3C=C2)C=C1CCCC"]
["186288286","C1=CC2=c3ccc(-c4cccc(-c5cccc(C6=CC=NC(c7ccccc7)N6)c5)c4)cc3=C3C=CC=CC3C2C=C1"]
["195102624","COC1=C2C=CC=CC2N(C)C2=C1CC(C(C)(C)O)O2"]
["156514910","O=C[C@H]1c2ccccc2N2C=Cc3c([nH]c4ccccc34)[C@H]12"]
["178147571","CC(NC1C=CC(NC2C=CC(C3C=CC(NC4C=CCCC4)CC3)CC2)CC1)C1C=CC(NC2C=CC(C(C)C3C=CC(NC4C=CCCC4)CC3)CC2)CC1"]
["126126861","CC(Oc1cccc(Br)c1)C(O)=NN=C(O)CC1C=CCCC1"]
["96199549","CC(C)NC(c1ccc(Cl)cc1)C1CC1C"]
["106441148","CC(C)[C@H](NC1CC1)[C@@H](O)c1ccc(Cl)c(Cl)c1"]
["93806110","CCCNCc1cc(C)ccc1OC1C=CCCC1"]
["96589727","O[C@@H]1C=CCCC[C@H]1O"]
["157968414","O=S1(=O)CC(N[C@H]2C=CCCC2)C1"]
["157014193","C1=C[C@H](NC2CC=CC2)CCC1"]
["170413844","Cc1ccccc1S[C@@H]1C=CCCC1"]
["162946435","CN=C(NC)SC1C=CCCC1"]
["62625136","CC(=O)[C@@H]1C/C=C\\CCC[C@@H]1O"]
["186275878","Fc1ccc(C#C[C@@H]2C=CCCC2)cc1"]
["60811402","c1cc2c3c4c5c(c6cccc7c6c6c5c(c3c1)CS=6C7)CS=4C2"]
["114006797","Cc1cccc2c(N)c(C(=O)N3CCC(C)(O)C3)sc12"]
["144845909","NC1(c2cccc3oncc23)CCC1"]
["161685338","O=[N+]([O-])c1c(O)cccc1Nc1cccc2ccccc12"]
["165466445","CS(=O)(=O)Nc1cccc2c1CCN(c1ccnc3c(Br)cccc13)C2"]
["79290498","OC1CCc2cccc([AsH2])c2C1"]
["90149567","CC1(F)CCNCc2cccc(O)c21"]
["32289219","[2H]C1([2H])c2ccccc2C([2H])([2H])[C@@H]2Cc3ccccc3C[C@H]1[C@@]2(O)c1cccc2ccccc12"]
["32208054","C[C@@H](CCBr)[C@@H]1Cc2c(O)cccc2C1(C)C"]
["61611449","CC1CN(C(=O)c2cccc3ncccc23)CCN1"]
["172331171","NC1CCCCC1Oc1cccc2c1CCCCC2"]
["89897636","Oc1nc(N2CCc3ccccc3C2)nc2ccccc12"]
["169993382","CC(CCC(C)n1ncc[o+]1)n1cn[o+]c1"]
["158100204","CC1=C(C)C(=O)N([C@H](C)CCN)C1=O"]
["95491335","CNC(C(C)c1ccncc1)C(C)S(C)(=O)=O"]
["61720423","CCc1nnc(S)n1C(C)c1cccnc1"]
["141811644","CC(C)Cn1cc(CN2CCN(Cc3ccccn3)CC2)cn1"]
["93481971","COc1cnn(CCN(C)C)c1C(O)Cc1cccnc1"]
["155078180","CC(C)c1cc(C(=O)N2[C@@H](CN)C[C@@]3(C)[C@H](O)CCCC[C@@H]23)n[nH]1"]
["45479373","CC(CCC(=O)O)n1ccnc1"]
["17021289","COc1ccccc1C(O)=NC[C@H](C)Cn1cccn1"]
["13032596","C[C@H]1CN(C(=O)[C@@H](Cc2ccccn2)c2ccc(F)cc2)C(C)(C)CO1"]
["84449477","CCn1ccnc1COc1cc(F)ccc1[C@H](C)O"]
["47748172","CC(C)N(CCN)Cc1ncnn1C"]
["100171086","C1=CN2CN1CN1C=CN(C1)C[N+]1=CC=[N+](CN3C=CN(C2)C3)C1"]
["97256153","CC(C)c1c[n+](C(C)C)cn1[C@@H]1CCCC[C@H]1n1c[n+](C(C)C)cc1C(C)C"]
["65628969","CC[B]N1C=[C-][N+](=[B-](C)CC)C1"]
["90499709","C1=CN2CN1C=c1ccc([nH]1)=CN1C=CN(C1)CN1C=CN(C2)C1"]
["75187500","CC#CN1C=CC=[N+]([O-])C1"]
["182984960","CN1C=CN2CCN(C1)C2"]
["100192597","C1=CN2Cc3ccc([nH]3)Cc3ccc([nH]3)Cc3ccc([nH]3)Cc3ccc([nH]3)CN1C2"]
["30235911","CC(C)(C)c1cccc(C(C)(C)C)c1N1C=CN(c2c(C(C)(C)C)cccc2C(C)(C)C)C1"]
["180341215","C[C@@H]1[C@H]2CCC=CN12"]
["145703778","[2H]C1C([2H])N2C=CN1C2"]
["180410446","CNN1C=CCC1"]
["179570240","C1=C2C3C=C[N+]=1C23"]
["195481800","CNn1c2c(n(N(C)C)c1=S)SC(P1Sc3c(n(N(C)C)c(=S)n3N(C)C)S1)S2"]
["104591729","C[C@@H]1CN=C(N[C@H](C)C2CC2)S1"]
["111783055","CNC(=O)c1sc(N2CCCC2CN(C)C)cc1N"]
["107447733","Cc1csc(=O)n1CCN1CCN(C2=NC[C@H](C)S2)CC1"]
["32964446","COc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCN(C)CC4)cccc32)cc1"]
["45978364","CN(CC1CC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S"]
["170321065","CCS(=O)(=O)N(C1CCCCC1)N1C(=O)CSC1=S"]
["51506339","CN(C)C(=O)C1CN(N2CCCC2)CCC1C(=O)O"]
["4701538","C[C@H]1CCC[C@H](C)N1Cn1[nH+]c2sc3ccccc3n2c1=S"]
["53860036","CNCc1cc(S(=O)(=O)N(C)CC2CCCCO2)c[nH]1"]
["165688405","CC1CN=C(N2CCN(c3nc(C(C)(C)C)ns3)CC2)S1"]
["92693866","CNC(c1c(Br)cnn1CCN(C)C)C1(C)CCCS1"]
["161808699","N#[N+]/C=c1\\cc(Br)o\\c1=C(\\[O-])c1oc(Br)cc1C=[N+]=[N-]"]
["148223729","Cc1cc(Br)oc1C(=O)NC1(C(=O)O)CCCC1"]
["94992600","Cc1ccc(C(=O)N2CCN(C(=O)C3(c4cccc(Br)c4)CCCC3)CC2)o1"]
["5155527","CC(C)n1cc(Br)cc1C(=O)[O-]"]
["17407018","Cc1ccc(S(=O)(=O)N(C)C(=O)c2oc(Br)cc2C)cc1"]
["105738823","Cc1cc(Br)oc1C(=O)N1CC[C@@H](C(=N)O)C1"]
["157749327","Cc1cc(Br)oc1C(=O)N1C[C@H](C)[C@@H]1C"]
["145705802","[N-]=[N+]=Cc1cccc(Br)n1"]
["42453627","CC1OC(c2ccccc2/C([O-])=C/[N+]#N)=Cc2ccccc21"]
["157991004","CC(C)=CC(=O)c1cc(Br)oc1C"]
["104564645","CN[C@@H](c1ccc2c(c1)CC(O)=N2)c1ccc(Br)o1"]
["81257129","N#CC([N+]#N)=C([O-])OCC=Cc1ccc(Br)cc1"]
["198477646","CC1=CC2=C3B(C4=C(CCC(C(C)(C)C)=C4)N2C2=C(C4=CC=C(C(C)(C)C)CC4)CC4C(=C2)C(C)(C)CCC4(C)C)c2c(oc4c2CC2C(=C4)C(C)(C)CCC2(C)C)N(C2=CC4C(C=C2)C(C)(C)CCC4(C)C)C3C1"]
["188154309","Cc1cc(N(C2=CCC3C(=C2)C(C)(C)CCC3(C)C)c2c(-c3ccccc3)cc(C(C)(C)C)cc2C2C=CC=CC2)cc(N(c2ccc(-c3ccccc3)cc2)c2coc3cc4c(cc23)C(C)(C)CCC4(C)C)c1"]
["196558221","CC(C)(C)C1=CC=C(C2C=CC=C(c3ccc(C(C)(C)C)cc3)C2N2C3=CC4Sc5cc(N(c6ccccc6)c6ccccc6)cc6c5B(C4C=C3B3c4c(cc(N(c5ccc(-c7ccccc7)cc5)c5ccccc5-c5ccccc5)cc42)OC2CCC=CC32)C2C=CC=CC2N6c2ccccc2)CC1"]
["195481064","CC1C=C2C3=C(C1)N(c1cc4c(cc1-c1ccc(C(C)(C)C)cc1)C(C)(C)CCC4(C)C)C1=C(C=C4C(C#C1)C(C)(C)CCC4(C)C)B3c1oc3ccc(C(C)(C)C)cc3c1N2c1ccc(C(C)(C)C)cc1"]
["173917153","Cc1cc2c(cc1N1c3cc(N4c5ccc(C(C)(C)C)cc5C5(C)CCCCC45C)cc4c3B(c3sc5cc6c(c7c5c3N4c3cc4c(cc3-7)C(C)(C)CCC4(C)C)C(C)(C)CCC6(C)C)c3c1oc1cc4c(cc31)C(C)(C)CCC4(C)C)C(C)(C)CCC2(C)C"]
["198315164","C#CN(c1ccc(C(C)(C)C)cc1)c1coc2c1C=C1C(C2)C(C)(C)CCC1(C)C"]
["171520217","CC1=CN2C(=O)/C=C(/c3cc(C)c4oc(O)nc4c3)CC/C=C/2C(C(C)[NH2+]C2C=CC=CC(C=O)=C2C)=C1"]
["189215862","Cc1cc2c3c(c1)N1c4c(cc(-c5ccccc5)cc4C4(C)CCCCC14C)B3c1ccc(N(c3ccc(C(C)(C)C)cc3C)c3ccc(C(C)(C)C)cc3C)cc1N2c1cc2c(cc1-c1ccccc1)C(C)(C)CCC2(C)C"]
["198484864","[2H]C([2H])([2H])c1cc2c3c(c1)N(c1ccc(C(C)(C)c4ccccc4)cc1-c1cccc(-c4ccccc4)c1)c1cc(C(C)(C)c4ccccc4)ccc1B3c1cc3c(cc1N2c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)(C)CCC3(C)C"]
["195980794","C1=CC([Si-]2(C3CC=CCC3)c3cc4ccccc4cc3C3CC=C(C4NC(C5=CC=C(C6=CCCCC6)CC5)NC(C5C=CC(C6C=CC7=C(C=CCC7)C6)CC5)N4)CC32)CCC1"]
["173977372","CC1=CC2=C3CC1N1c4cc(ccc4B4c5cc6c(cc5N(c5ccc7c(c5)C(C)(C)C5C=CC=CC75)c5cc(C)cc1c54)C(C)(C)CCC6(C)C)N1c4cc(c(C(C)(C)C)cc4C4(C)CCCCC14C)C3(C)CCC2(C)C"]
["188154188","CC1=C(N2c3cc(C(F)(F)F)cc4c3B(c3ccc5c(c3N4c3cc4c(cc3C3=CC=CCC3)C(C)(C)CCC4(C)C)C(C)(C)CCC5(C)C)c3oc4c(c32)C(C)(C)CCC4(C)C)CCC(C(C)(C)C)=C1"]
["100228187","C=C1C[N+]23CC=CC=C2[N]C(C)=C3N1[B+]N(C)C.CC1=NC2=[C]C=[C-]C[N+]23CCN([B+]N(C)C)C([O-])=C13"]
["128198250","Cc1ncsc1CN(C)C(=O)COc1cccc(N2CCCC2=O)c1"]
["144251597","CC1(C)COCCN1c1n[nH]c2/c1=C\\C=C\\CC\\C=2"]
["83717994","C=C1N=NC(NN=C2C=C(C)CC2)=NC1=O"]
["170617753","Cc1c2c(nn1C1CC(N(C)CCN(C)C)C1)OCCCOc1c(cnn1C)-c1ccc3[nH]nc(c3c1)/C=C/2"]
["165156765","C=C1CNCCN1Cc1nc2cc(C)cc(C(F)(F)F)c2[nH]1"]
["54107163","Cc1cc(-c2cncnc2)cc(Cl)c1Nc1ccc(/C=N\\Nc2ncc(F)c(N3CCOCC3)n2)nc1"]
["137508217","CCN(C)C(=O)C1CSCN1C(=O)c1cnn(C(C)(C)C)c1C"]
["45228852","CN(C(=O)[O-])C1=C=CC(C2CCOC2=O)C=[C-]1.[U].[W]"]
["42635000","C=C1C[N+]23C[C]=CC=C2N=C(C)[C-]3N1[B+]N(C)C"]
["77419832","Cc1ccccc1OCCN(C)C(=O)CN1CCC(O)=NC1=O"]
["83667417","CCOc1ccc(CN(C)C(=O)COC(=O)CN2CCC(O)=NC2=O)cc1"]
["189154255","CCCB(C#N)Cc1ccc(Cn2nc(-c3ccc(OC(=NC)NC)cc3)c3c(NC)ncnc32)cc1"]
["161962899","COc1ccc(C(C)N=C(O)Nc2ccc3c(c2)C=C(c2ccc4c(c2)CN(Cc2ccccc2)C4)S3(O)O)cc1"]
["66563657","CCCNCc1ccc(OC)c(Cn2nc(C)cc2C)c1"]
["MCULE-7993404655","COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2C(c2cccc(F)c2)C(C(O)=NC2CC2)=C(N)O3)cc1"]
["15478764","CCOC(=O)c1c(-c2ccc(CC)cc2)noc1Cl"]
["49819610","CCOc1ccc(NC(=O)Cn2nc(C)c3c(C(F)F)cc(C(F)F)nc32)cc1"]
["154222483","COC1=C(O)C2=C(O)C=C(c3ccc(OC)cc3)OC2=C[C@@H]1O[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O"]
["116736460","CCN=C(NCc1cccc(Cn2ccnc2C)c1)NC1CCN(C(=O)C(C)C)C1"]
["118786773","CCOc1ccc(CNC(=NC)NCCCn2cccn2)cc1F"]
["116424691","CCN=C(NCc1ccc(Cn2ccnc2)cc1)NCC(O)c1cccc(OC(C)C)c1.I"]
["98572309","CCN=C(O)Nc1ncnc2c1ncn2C1CC(COCc2c(F)cccc2C(=O)OCC)C2O[C@H](C=Cc3ccccc3)OC21"]
["29889874","CNC(=O)c1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1"]
["162339258","C=CC1=C(C=C)C2(OC1=O)c1ccc(N)c(S(=O)O)c1Oc1c2ccc(N)c1[SH](=O)=O"]
["83438540","CCN1C(=O)C2(C3=C(OC4CCC(Br)CC4C3=O)C(=O)N2CC(C)O)c2ccccc21"]
["187665063","O=C(O)c1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2cc(C(=O)O)ccc21"]
["174820189","C=Cc1sc(-n2ccc3c(O)cccc3c2=O)nc1C"]
["83941120","C=CCC1CCC(=O)CC12OC(=O)c1ccccc12"]
["107829996","CC(=O)Oc1ccc(-c2nnc([C@H](O)CCN)o2)cc1"]
["90112040","Cc1ccc2c(c1)C1(CCCNC1)OC2=O"]
["23852657","O=C1CC2(CCCC2)C(=O)N1CC(O)c1ccccc1Cl"]
["20248468","COCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(O)=[NH+]c4ccccc43)[C@@H]2C1=O"]
["155772333","CCCOc1ccccc1[C@@]1(CN)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1"]
["173911183","NC1=C(O)C(O)=CC12C(=O)O[B]OC(=O)C1=CC(O)=C(O)C12O"]
["155596009","Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cccnc31)O2"]
["181773017","C1CCC(SC2(SC3CCCS3)SCCCC2SC2CCCO2)OC1"]
["114347047","CCC1CC(CN)(N2CCSC(C)(C)CC2)CCO1"]
["48842575","CC1(C)O[C@@H]2C(O[C@@H]3CCCCO3)[C@@H]3OC(C)(C)O[C@@H]3C(O)[C@@H]2O1"]
["131492281","O=C(CSCC1CCCCO1)N=c1cccc(OCC(F)F)[nH]1"]
["151282369","C[C@H](O)CN1CCN(C[C@H]2CCCCO2)C[C@H]1C"]
["122484866","OC(=NN=C(O)C1CCCCO1)c1ccc(Cl)nc1"]
["MCULE-8505088172","CC(O)=Nc1cccc(C)c1C=CCOC1CCCCO1"]
["123116851","CC(C)C(O)=NCCCN=C(O)N(CC1CCCO1)C1CCCC1"]
["130572793","Cc1nc(CC(O)=NCCC2CCCCO2)cs1"]
["74507829","N#CSC1CCCO1"]
["176221961","Cc1c2c(nn1C1CCCCO1)CC(C)(C)CC2"]
["112374625","CNC(C)c1cnn(C)c1C1CCCCO1"]
["67491859","C=[C-]C[Si]1CC[CH-]CO1.[Mg+2]"]
["91355216","C=[C-]CCCC=C.[Cl-].[Mg+2]"]
["174982961","C.C=[C-]CC1(C(C)C)CCN=C([O-])O1.[Cs+]"]
["130288773","C=C(Br)CN1CCOC(CN=C(C)O)C1"]
["171151245","C=[C-]COC([O-])C[Cl+]Cl"]
["162531787","C=C(Cl)CN1CC2CC1CO2"]
["189976892","C1CCCC1.C=[C-]CC(C=C)C[C-]=C.[Pd+2]"]
["194496826","C=[C-]CC(C)(C)C.[Br-].[Zn+2]"]
["175049636","C=[C-]CC1=NC(=[Si+])NC1"]
["165792359","C=C(CN1CC2CC1CO2)[B-](F)(F)F.[K+]"]
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["178682826","C[C-]=O.[CH-]1CCOC1.[U+2]"]
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["95697646","CCCN=c1[nH]c(-c2ncc(Br)cc2Br)nc2c1CCC2"]
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["173758381","[B]C1N([C-]([O-])OC(C(F)(F)F)C(F)(F)F)CC([B])([B])N(C(C)(C)C)C1([B+])[B+]"]
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["189860214","[B]C(=[B])[C-](C1C[CH-]C(C)([O-])CC1)C([B+])([B+])[B+]"]
["173590593","[B]C([B+])([B+])C([B+])([B+])N1CC(O[c-]2[cH-][c-](F)[cH-]c(F)c2F)C1"]
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["179333106","C[c+]1[n-][n-]c(=I(C)(C)C)[nH]1"]
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["178988792","CI(C)(C)=c1c[c-][n-][nH]1.[Re]"]
["95575481","CCCCC1NC(CCC)N(C(C)CCSCC)C1=O"]
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["182242127","[N-]=NN=C1C=C2C=C3C=C[CH]N3[B+]N2C1"]
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["181519427","[N-]=NN=C1[B]OC=C1"]
["74221363","C[C@H](O)C1=C2N=C=CN2[CH]C=C1"]
["60348374","Fc1cn2[b+]n3c(cc2c1F)C=C[CH]3"]
["5687481","OC(CCC1=c2ccccc2=[NH+]C1)=NC[C@H]1NN=C2C=CC=CN21"]
["181392200","C[C]1C=C(C)C2=CC3=C(C)C(=NN=[N-])C(C)N3[B+]N12"]
["74408891","O=C1C=C2C=C3/C=N\\C=C/C=C\\N3CC2[N+]([O-])=C1"]
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["169977883","CC(N)C1=CCN(C)C(C2CC2)=C1"]
["183208891","CC[O+]=[Si]=C1C(C)=CC=CC1=NN=[N-]"]
["63399845","O=S(=O)(c1cc(SOOC(Br)(Br)Br)[n+](O)c(S(=O)(=O)C(Br)(Br)Br)c1)C(Br)(Br)Br"]
["197154873","COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)F)c1"]
["163653332","CCOC(=O)N1CC2Cc3sc(Br)cc3C2C1"]
["120806448","COc1ccc(Br)cc1S(=O)(=O)C(C)(C)CO"]
["134852891","COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC(F)(F)CN.Cl"]
["91026453","Cc1cccc(OS(=O)(=O)c2cccc(S(=O)(=O)Oc3cccc(C)c3)c2)c1"]
["23497842","Cc1cccc(CS(=O)(=O)CC(=O)O)c1"]
["112764249","CSC1CCCCC1NS(=O)(=O)c1cc(C(=O)O)n(C)c1"]
["19788906","CN=C(O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c1C"]
["56477500","O=S(=O)(O)c1cc(C(F)(F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c1"]
["111827459","CCNCc1cc(S(=O)(=O)NCC(C)(C)CC)cs1"]
["55674200","Cc1ccc(S(=O)(=O)OC(=O)c2ccccc2N)cc1"]
["99754462","[B]CC(CCl)OP(=O)(OCC(C[B])(CBr)COP(=O)(OC(CCl)CCl)OC(CCl)CBr)OC(CCl)CCl"]
["25549590","CC(OP(=O)(OC(C)C(Cl)Cl)OC(C)C(Cl)Cl)C(Cl)Cl"]
["27097138","O=P(O)(O)C(OCC(F)(F)F)P(=O)(O)O"]
["172666984","CC(C)N(OP(=O)(ON(C(C)C)C(C)(CC(C)(C)C)C(C)(C)C)ON(C(C)C)C(C)(CC(C)(C)C)C(C)(C)C)C(C)(CC(C)(C)C)C(C)(C)C"]
["24725341","C=C(C(=C)P(=O)(OC(CCl)CCl)OC(CCl)CCl)P(=O)(OC(CCl)CCl)OC(CCl)CCl"]
["199463697","N.O=P(O)(O)OCC(CO)(CO)COP(=O)(O)O"]
["26824408","O=P(OCCCl)(OCCCl)OC(Cl)(Cl)OP(=O)(OCCCl)OCCCl"]
["97934626","CCC(=O)OCCCCCCOP(=O)(OCCC#N)OCC(C)(CO)CO"]
["49324525","CCC(COP(=O)(C(C)(C)C)C(C)(C)C)OP(=O)(C(C)(C)C)C(C)(C)C"]
["182083469","CC(C)(CBr)C(Br)(Br)OP(=O)(O)OCCC(Cl)Cl"]
["167177756","CCOP(=O)(OCC)O/C(=C(\\F)C(F)(F)F)P(=O)(OCC)OCC"]
["84015077","CCOCC(CCl)OC(=O)CBr"]
["170963254","CC(C)=C(/C=C\\N=CO)/C=C(\\C)CN=CO"]
["149668266","CCN=C(O)C=CC=CC=C(C)Cl"]
["101540347","[2H]CN=C(O)C=C(C)C"]
["175041287","CCCC(CCN=CO)C(C)=O"]
["59967492","CCN=C(C=C=C(C)C)SC"]
["162550609","CC=C(C)CN=c1[nH][nH]c(CC)c1C"]
["192717908","CC(C)C.CC(C)N1CCCCC1.CCCCCCN=C(O)[C@@H]1CCCN1C(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)CN=CO"]
["68787353","CC(C)=CCN=CS"]
["MCULE-5896152620","CCC(O)=N[C@@H](C)C(O)=NCCCN=CO"]
["180007571","C=N/C(OCI)=C(\\C=C(\\C)[NH-])CC"]
["179785507","C/C(=C\\C(C)=C(/C)C(C)C)Cn1ccnn1"]
["154937718","CC/C(C)=C/C=N\\CS"]
["83064303","C[Si+](C)C1(c2ccc(-c3ccc(C4([Si-](C)C)CC=CS4)s3)s2)CC=CS1"]
["33061751","CC(NO)c1ccc(-c2ccccc2)s1"]
["162927982","CC1(CC(Cl)c2ccc(Cl)s2)CC1"]
["53203713","Cc1ccc(-c2ccc(B(O)O)s2)s1"]
["178746581","C[C@@H]1[C@@H](c2ccccc2)[C@@]1(NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)C(=O)O"]
["89190058","CNC1(c2ccc(C)s2)CCCC1"]
["89188731","CC1CC1(N)c1ccc(Cl)s1"]
["45706281","NC1(c2cccs2)CC=CC1"]
["167057172","CN(C)C(=O)C1CCN(C(O)=NCc2noc3ccccc23)C1"]
["162440462","CC1(c2ccc(Cl)s2)CCC(CO)O1"]
["141011822","CSC1CCCC(NC(O)=NCc2ccc(Br)s2)C1"]
["133439264","Cc1ccc(-c2cc(=NC(=O)C3CCNCC3)[nH][nH]2)s1"]
["64822251","C[Si+](C[Si](C)(C)C)C[Si](C)(C)C[Si+](C)C[Si](C)(C)C[Si-](C)C[Si](C)(C)C[Si-](C)C"]
["79929042","C[Si](C)(C)C[Te+]C[Si](C)(C)C"]
["100249989","C[Si+](C)C[Si](C)(C)C[Si-]"]
["175625990","C[Si](C)(C)CN1CC(F)(F)C[C@H]1CN"]
["69531522","C[Si+](C)C[Si+](C)C[Si-](C)C[Si-](C)C"]
["197639159","C[Si](C)(CN)CCl"]
["180393268","C[Si+](C)C[Si](C)(C)[NH3+]"]
["82289582","C[Si+](C)CCC[Si](C)(C)CCC[Si-](C)C"]
["168460142","C[Si+](C)CC[Si](C)(C)CC[Si](CC[Si](C)(C)CC[Si+](C)C)(CC[Si](C)(C)CC[Si-](C)C)c1ccc([Si](CC[Si](C)(C)CC[Si+](C)C)(CC[Si](C)(C)CC[Si-](C)C)CC[Si](C)(C)CC[Si-](C)C)cc1"]
["197066437","C[Si+](C)C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(C[Si+](C)C)C[Si-](C)C)C[Si-](C)C"]
["198199507","C[Si+](C)COP(OC[Si-](C)C)O[Si](C)(C)C"]
["59419528","C[Si](C)(C)C[Si+][Si](=[Si-])C[Si](C)(C)C"]
["100199216","CC(C)(CO)CCCC1=CC(=O)CC(=CC=C2CC(=O)CC(CCCC(C)(C)C(=O)[O-])=S2[O-])S1=O"]
["147050077","Cc1cc(CCCC(=O)N2C[C@H]3CNC[C@H]3C2)c(C)s1.Cl"]
["125842573","CC(CN(C)Cc1ccccc1)NC(O)=NCCCC(C)(C)CO"]
["195680383","CC12CCC(=O)C=C1CC(C(=O)O)C1=C2CCI2C1=C=CC2(C)CCCC=O"]
["30349173","CC1(C)C=C(CCCCC(C)(C)CO)C(O)C(c2ccccc2C2=CC(C)(C)C=C(CCCCC(C)(C)CO)C2O)=C1"]
["180818764","CCCCCC(CC)(OCCCC(=O)[O-])C(O)C(N)Cc1ccc(OC(=O)CCCO)cc1"]
["118901959","CCN=C(NCCS(=O)(=O)C(C)(C)C)N1CCN(Cc2ccccc2)CC1"]
["11721535","Cc1ccc(C)n1-c1c(C(=O)N2CCCN(C(=O)C(C)(C)C)CC2)cnn1C"]
["83671087","CN1C(=O)C(=Cc2ccc(C(=O)NC(CO)C(=O)[O-])cc2)SC1=S"]
["131811351","CN(C)C(=O)Sc1ccc(Cn2cc(CCO)cn2)cc1"]
["105906586","COc1ccc(CCCC(C)(C)C(=O)O)cc1Cl"]
["51434461","O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CCCCCC(=O)N1c2ccccc2Sc2ccccc21"]
["164426972","CC(C)(C)SN1SN(S)SN2SC(C)(C)SN2N(SC(C)(C)C)SN(SC(C)(C)C)S1"]
["185590097","CC(C)(C)SN1CCSCC1"]
["25914663","CC(C)(C)n1nnc(Sc2nc3ccc([N+](=O)[O-])cc3s2)n1"]
["165227833","CN1CC(CC(C)(C)C)CC1(C)C"]
["93901244","COCCC(C)(N)C1CC(C)(C)OC1(C)C"]
["93105658","CC1(C)CC(C(N)c2snnc2C(C)(C)C)C(C)(C)O1"]
["179318395","C[I+]C(C)[C-]([O-])N1CC2CC1(C)CN2C"]
["160012376","CC1(C)CC(N=C(O)N=c2nc(C(C)(C)C)[nH]s2)C(C)(C)O1"]
["89190538","CN1C2CCC1CC(N)(C(C)(C)O)C2"]
["26400024","CC(C)(C)c1ncn(Sc2nc3ccc([N+](=O)[O-])cc3s2)n1"]
["173664611","CC1(C)C=CN=C(C(C)(C)C)C=C1"]
["158176316","C[C@H]1CN(C(C)(C)C#N)CC(C)(C)C1"]
["178322888","CN(C)c1ccc(C=CCSc2cc(Cl)ccc2[NH2+]CCSSCC[n+]2c(C=Cc3ccc(N(C)C)c4ccccc34)sc3cc(Cl)ccc32)c2ccccc12"]
["151066781","CCc1ccccc1N=C(O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O"]
["MCULE-8907073734","CCCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(Cl)cc4s3)C2c2cccc(OC)c2)c1"]
["67527880","Cc1c(Cl)ccc2sc(N(CCCN(C)C)C(=O)COc3ccccc3F)nc12"]
["28791853","COc1ccccc1SCCNCC(O)COc1cccc2c1[nH]c1ccccc12"]
["238743","CCN1C(=Cc2sc3cc(NC(C)=O)ccc3[n+]2CC)C=Cc2cc(C)ccc21"]
["186712319","ON=C(Nc1ccc(Cl)cc1)C1CCC2(CC1)CN(c1ccnc3ccc(F)cc13)C2"]
["163197646","CC(C)C[C@@H](N)c1nc2ccc(Cl)cc2s1"]
["187520405","C#CCN(c1ccc(N(CC(=O)OC)Sc2ccccc2C)c2ccccc12)C(C)CC(=O)OC"]
["156048272","O=Cc1ccc(C#CCN=C(O)Cc2ccc(Cl)cc2Cl)c2ccccc12"]
["2538500","CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)c2[nH+]c3ccc(Cl)cc3s2)cc1"]
["13026568","CN(C)c1ccc([C@H](CN=C(O)/C=C/c2ccc(Cl)cc2)C2=c3ccccc3=[NH+]C2)cc1"]
["197774761","CS[N-]C1=C([PH+](SC)SC)C2CCC1C2.[Ga+].[H]"]
["184250951","CC(C)C1=CC=C2C(I)CCC2C1"]
["32900288","CS[C@H]1C[C@@H]2CC(=O)[C@H]1C2"]
["159183204","CS[C@H]1CC[C@H]1N=c1nn[nH][nH]1"]
["57595823","Cc1ccc(SC2/C(=N\\O)C3CCC2C3)cc1"]
["172919870","CC(C)(C)Nc1cc(C2CC2)nc(C2CC2)n1"]
["42501756","C[N+]1(C)[C@@H]2CC[C@H]1CC(C=C(c1ccc(Cl)s1)c1ccc(Cl)s1)C2"]
["87907947","NC1Cc2c(C3CC3)csc2C1O"]
["197078262","CC(C)c1cc(C2CC2)nc(C2CC2)n1"]
["178770422","C=C=C1CCC(C)(C)CC2CCC1C2"]
["181694745","CCc1ccc(C2CC2)cc1N=[N+]=[N-]"]
["173237047","C=C(C)C1CCC2=CC(C)CCC2C1"]
["61711856","CN[Si]1(C)N[Si]2(C)N[Si]3(C)N[Si](C)(N)N[Si]4(C)N[Si](C)(N)N5[Si](C)(N)N([SiH](C)C)[Si](C)(N1[SiH](C)C)N2[Si]5(C)N43"]
["196655759","CC(C)N1[Si](C)(C)N([SiH](C)C)[Si]1(C)C"]
["97109154","C[SiH](C)N1[Si](C)(C)C[Si]1(C)C"]
["170566818","C[Si]12N[Si]3(C)N[Si](C)(N1)N[Si]1(C)N[Si]4(C)N[Si](C)(N2)N[Si]2(C)N[Si](C)(N3)N[Si](C)(N1)N24"]
["174055121","C[SiH](C)N1[Si](C)(C)N[Si](C)(C)N(Cl)[Si]1(C)C"]
["48506453","CN[Si]1(C)N[Si](C)(N)N[Si](C)(N)N[Si](C)(NC)N1"]
["185391276","C[SiH](C)N1[Si](C)(C)N[Si](C)(C)N([SiH](C)C)[Si]1(C)C"]
["190519998","CN[SiH2]C.CN[Si](C)(N)CC[Si](C)(NC)N[Si]1(C)CC[Si](C)(N)N1"]
["185430682","C[SiH](C)N1[Si](C)(C)N([SiH](C)C)[Si](C)(C)N([SiH](C)C)[Si]1(C)C"]
["185240321","CNC1(CCOC)C=C(N)C(N)=CN1"]
["43230932","CN[Si](C)(N)CC[Si](C)(NC)N[Si]1(C)CC[Si](C)(N)N1"]
["196655764","CCN1[Si](C)(C)N([SiH](C)C)[Si]1(C)C"]
["176102558","C=CC1=C(C=C)P2(=O)C(C=C)=C(CC)OC(/C=C\\C)=C2C(=C)O1.CC.CC"]
["186062522","C=CC1=C(/C=C\\C)CC(CC)N1S"]
["174139893","C=CC.CC.CCc1[nH]cc(CC(N=CO)C(=O)N(C)F)c1C"]
["174571096","C=CC1=C(/C=C\\C)[C@@H](NC)CS1(=O)=O"]
["174260748","C=Cc1c(/C=C\\C)nc[nH]c1=NC"]
["93431229","CCC(C)C(C(=O)N(CCBr)CCOC)c1ccccc1"]
["175948219","C=CC1=C(C=C)C2(CC13CC1(c4ccccc4-c4ccccc41)c1ccccc13)C(/C=C\\C)=C(CC)c1ccccc12.CC.CC(C)(C)C(C)(C)C"]
["73859601","C=CCS(=O)CC1OP(=O)(OC)OC1CS(=O)CC=C"]
["170585846","C=Cc1nc(Nc2cc(O)c(N3CC(O)=NS3(=O)=O)c(F)c2)ncc1/C=C\\C.CC"]
["108414507","CCN(C[C@@H]1CCOC1)C(=O)/C=C\\c1ccc(N2CCOCC2)cc1"]
["150191749","C=CC1=C(C=CC)C(CC)(CC)C(C=CC(=C)C=CC)=C1"]
["173093366","C=C/C=C(\\C=C/C)CC(=O)N(CCC)CCC"]
["179360013","CN1C=CC2c3ccc4cc3C3=C[C@@H]5c6cc(ccc6N6C=CN(C)C56)CC5CC(C4)CC(Cc4ccc(c3c4)N3C=CN(C)C3CC21)C5"]
["42650049","C=CCN=C(O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)N(C(O)=N[C@H](C(=O)OC)C(C)C)c1ccc(C#CC3(O)CCCCCC3)cc12"]
["53985108","COc1ccc(O)c([C@H]2C3=CCn4c(=O)n(-c5ccccc5)c(=O)n4[C@@H]3C[C@H]3C(=O)N(c4cc(-c5sc6ccc(Cl)cc6c5C)nn4C)C(=O)[C@@]23C)c1"]
["164616991","CCC1CC(F)(F)CN1SC1=CCC(c2ccc(N)c(C(=N)N)c2F)C=C1"]
["51046384","COc1ccc(CN(CC2(O)CCC3c4ccc(cc4C(=O)c4ccc(C)s4)CC(O)CCC(C)=CCCC32C)S(C)(=O)=O)c(OC)c1"]
["22974525","COc1ccc(N2CCN(C(c3cc4cc(OC)ccc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1"]
["142765139","Cc1ccn(C)c(=O)c1N=C(O)C1CC1c1cc(F)ccc1F"]
["160492632","Cc1ccc(CC(C)N=C(O)N2C3CCC2CC(c2ccnn2C)C3)c(C)c1"]
["128159707","COc1ccc(F)c(NC(=O)C(=O)N2CCN(C3CC4CCC3C4)CC2)c1"]
["46737936","CC1=CCC[C@@]2(C)[C@@H](CC[C@@]2(O)CN(C[C@H](O)CO)CC23CC4CC(CC(C4)C2)C3)c2ccc(cc2C(=O)c2cccc(C(F)(F)F)c2)C[C@@H](O)CC1"]
["82449607","Cc1ccc(-c2cc(CN=C(O)C3C=CCN3S(=O)(=O)c3ccc(F)cc3)cc(N3CCN(c4ccccc4F)CC3)n2)cc1"]
["82393727","CCC1CC(c2ccc(-c3ccc4c(c3)CC3C(CN=C(C)O)OC(=O)N43)cn2)=NO1"]
["179781360","CC1=CC2=C(C(C)C1)N1C3CC(n4c5ccccc5c5ccccc54)CC4C3P(C3CCC(n5c6ccccc6c6ccccc65)C(S2)C31)C1CCC(n2c3ccccc3c3ccccc32)C2SC3CC(C)CCC3N4C21"]
["90798659","CC1CCC2NC(C=Cc3c[nH]c4ccccc34)CC(=O)C2C1"]
["29216066","COC(=O)c1ccc2c3ccccc3n(C3CCC(=O)CC3)c2c1"]
["MCULE-7114144362","Cc1ncsc1C(=O)N1CCCn2nc(ccc2=O)C(=O)N(C)CC2(CC1)CCN(C(=O)c1cn(C)c3ccccc13)CC2"]
["202438","CC1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1"]
["180478755","CC1C=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4nc5ccccc5o4)ccc3-n3c4ccccc4c4ccccc43)n2)=CC1"]
["160756747","CC1CCC(=O)C(n2cc(C#N)c(=O)c3ccccc32)C1"]
["82850464","Cc1c(C(=O)N2CC3CCC2CN(c2cnccn2)C3)n(C)c2ccccc12"]
["MCULE-2945824779","CCOC(=O)N1CCN(c2cc(N3CCN=C(O)C3c3cn(C)c4ccccc34)nc(-c3ccccc3C)n2)CC1"]
["170041611","CC1CCCC(C(=O)N2CCc3c2cc(O)c2ccccc32)C1"]
["141322697","OC(CNC(c1nccs1)C1CC1)Cn1c2ccccc2c2ccccc21"]
["59296248","CC1SCn2c3ccccc3c3c4c(c5c6ccccc6n1c5c32)C(=O)N([Si](C(C)C)(C(C)C)C(C)C)C4=O"]
["173179067","C=C1N=C(C=C2ONC(=C)C(C)=C2C)C(C)=C(C)O1"]
["28603142","CC1=C2NC(=O)C=NC(c3ccccc3C(F)(F)F)=C2NO1"]
["11698647","Cc1ccccc1C1=N/C(=C\\c2ccc(I)o2)C(=O)O1"]
["145044494","CC1=CC(=O)C(Br)=C(C)/C1=C1\\N=C(CN)ON1"]
["101049945","CC1=C(OCC(C)C)/C(=C/[Si](C)(C)C(C)(C)C)OC1=O"]
["2727529","C=C(C)COc1ccc2c(c1C)O/C(=C\\c1ccccc1C)C2=O"]
["87881659","CC1=C(C(=O)O)ON/C1=C1/C=Nc2ccccc21"]
["82468076","Cc1nc[nH]c1C=C1Oc2ccccc2C1O"]
["25456393","COC(=O)c1ccccc1C=C1OC(=S)N=C1O"]
["163126862","CC1=NC(=C2C=NC(CN)=N2)ON1"]
["173689613","Cc1ccc2c(O)c(C=C3N=Nc4ncccc43)oc2c1C(C)N1CCNCC1"]
["173727700","C=C1N=C(C)/C=C\\CNN=CS1"]
["175691744","SC[I-]CSC[I-]CC1CCCC1"]
["190439932","C.CN[C@H]1CCCC[C@@H]1N1CCCC1"]
["92353543","COC(CN=C(O)CC1CCCCCC1)OC"]
["111090474","NC1CCCC(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1"]
["107506504","CS(=O)(=O)[C@@H](CN)CC1CCCC1"]
["49209312","CC(=O)CCCC(=O)CCC1CCCCC1"]
["179396687","CC1CCCCC1CCC(O)CS"]
["113956403","Cn1nnc(CC(=O)CC2CCCC2)n1"]
["119435932","COc1cccc(OCC2CCCC2)c1"]
["65797212","CP(C)(=O)OCC(=O)CC1CCCCC1"]
["43367817","Fc1cc(F)c(NCC2CCCC2)cc1F"]
["111890678","OCC(F)(F)CNCCC1CCCCC1"]
["98982734","NC(N)CCN1CNC[N+](CCC(N)N)(CCC(N)N)C1"]
["44908808","N#CC(N)CCN1CCCCCCC1"]
["19792009","CC(C)CCN1CCN(CN2C(=O)[C@H](CC(C)C)[NH+]=C2O)CC1"]
["170569466","CC.CC(C)CCN1CCNCC1.CCC"]
["59871716","COCCC(N)CN(C)C1CCCCC1C"]
["94102816","CC1CCN(CCC(N)C#N)CC1C"]
["173685840","[B]CCC[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@@]1(N)C(=O)O"]
["99407721","[O-]N1CNCS1"]
["162736989","C[C@@H](N)C(=O)N1CCN(C)CC1CN"]
["120876544","CN1CCC(CCC2CCCN2)C1"]
["105047417","CCSc1ccc([C@@H](O)CCN2C[C@@H](C)O[C@H](C)C2)cc1"]
["120047412","CCC(O)(CN)CCCN1CC(C)N(C)C(C)C1"]
["76126533","[O-][N+]1(CO)CN(CO)c2c(Br)c(Br)c(Br)c(Br)c21"]
["52420044","Cc1nn(C)c(CC2CC(C)CCC2=O)c1Br"]
["24899744","O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1Br"]
["42027779","O=C(c1[nH]nc([N+](=O)[O-])c1Br)N1CCN(Cc2c(Cl)cccc2Cl)CC1"]
["172345021","O=C1C=CCN1CO"]
["56772129","COc1c(F)cc(CN2CCCC(O)(CO)CC2)cc1F"]
["125897159","CC1(CO)CCN(Cc2ccc(F)c(Br)c2)CC1"]
["8355632","O=C1CN(CO)C(=O)CN1CO"]
["197336039","CC1(C)CC1(CO)c1ccc(Cl)c(Br)c1"]
["179093714","CCc1cc(Br)cc2c1[N+](C)(C)C1=C2CCOC1(CC)CCO"]
["156987223","CC(C)=CCN1CC[C@H](Br)C1=O"]
["45309585","OCN=C(O)C[N+]12CN3CN(CN(C3)C1)C2"]
["183442462","CC(C)(C)OOC1=C(OOC(C)(C)C)N(OOC(C)(C)C)N(OOC(C)(C)C)N(OOC(C)(C)C)C1OOC(C)(C)C"]
["128099269","CC(C)(C)OC(O)=NN=C(O)[C@H](O)c1ccccc1"]
["185042923","CC(C)(C)OC(=O)C1Cc2ccccc2C1(C(=N)O)N1CCNCC1"]
["131766279","CC(C)(C)OCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1"]
["32088549","CC(C)(C)OOC1CCCCc2ccccc21"]
["100921497","CC(C)(C)OO[C@@H]1N(S(C)(=O)=O)CCC[C@]1(OOC(C)(C)C)c1ccccc1"]
["7889707","CC(C)(C)OC(=O)CSc1ncnc2c1cnn2-c1ccccc1"]
["124380540","CC(C)(C)OC(O)=NN=C(O)Nc1cc(CC2CC2)nn1-c1ccccc1"]
["123590886","CC(c1ccc(-n2cncn2)cc1)N(C)CCOC(C)(C)C"]
["175009141","CC1C[SiH](OOC(C)(C)C)OC(C)(C)C1OOC(C)(C)C"]
["93462423","CC1SCC(C(=O)O)N1C(=O)COC(C)(C)C"]
["173338010","CCC.CNC1CC(C)(C)N(OC(=C2CC2)C(C)(C)C)C(C)(C)C1"]
["59555065","CO[Si](=C=C=[Si-](C#C[Si](OC)=[O+]C)(C#C[Si](OC)=[O+]C)C#C[Si-](OC)OC)OC"]
["99737919","C[O+]=[Si](C)CCO[Si-](C)(C)=[Si-](C)(C)CC[Si](C)=[O+]C"]
["99211700","CO[Si](C[Si-](C[Si](OC)=[O+]C)C[Si-](OC)OC)=[O+]C"]
["46980087","CO[Si](CC(C[Si](OC)=[O+]C)(C[Si-](OC)OC)[O+]=[Si-])OC"]
["62937622","CO[Si](C#CC([Si-])(C#C[Si](OC)=[O+]C)C#C[Si-](OC)OC)=[O+]C"]
["171449917","CO[Si](OC)OC12CC3CC(O[Si](OC)=[O+]C)(C1)CC(O[Si-](OC)OC)(C3)C2"]
["171449899","CO[Si](OC12CC3CC(C1)CC(O[Si-](OC)OC)(C3)C2)=[O+]C"]
["99236201","CO[Si](O[Si](OC)(OC)O[Si-](OC)OC)=[O+]C"]
["99426760","CO[Si](=[O+]C)C(C)(C)CCCC(=O)CCCC(C)(C)[Si-](OC)OC"]
["171449922","CO[Si](OC12CC3(O[Si](OC)=[O+]C)CC(O[Si-](OC)OC)(C1)CC(O[Si-](OC)OC)(C2)C3)=[O+]C"]
["183577975","C#COP(=O)(OC)OC"]
["46106032","CCC([Si](OC)OC)([Si](OC)=[O+]C)[Si-](OC)OC"]
["194284872","[2H]C1([2H])CC([2H])([2H])c2nncn2C([2H])([2H])C1.[2H]C1([2H])CCCC([2H])([2H])n2cnnc21.[2H]C1([2H])c2nncn2C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]"]
["160703067","Cn1c(=O)n(C)c2cc(N=C(O)C3CCc4nncn4C3)ccc21"]
["135887669","O=C(Cn1cc([N+](=O)[O-])cn1)OC(C1CCCCC1)C(F)(F)F"]
["54036685","O=C(c1cccc(I)c1)N1CCn2cnnc2C1"]
["176549817","IN1CCC2c3nncn3CCC2C1"]
["86549833","Cc1cc(N2CCn3cnnc3C2)c(C(=N)NO)c(C)n1"]
["48791254","CCNCC(C)(CC)CN1CCn2cnnc2C1"]
["188892450","C=C(F)/C(C1=Nc2c[nH]nc2-c2cnn3c2N1CCC3)=C(\\C)F"]
["150905478","Cc1ccc(CC(O)=Nc2cccc([C@H]3CCc4nncn4C3)c2)cc1C"]
["55461406","Cc1ccc(Br)cc1S(=O)(=O)N1CCn2cnnc2C1"]
["175582176","Fc1ccc(F)c(-c2ccn3nc(N4CCCC4)c(I)c3n2)c1"]
["48725740","Nc1ccc(N2CCn3cnnc3C2)c(C(=O)O)c1"]
["170239999","CC(C)N(CCCN(CCCN(C(C)C)C(C)(C)C)C(C)C)CCCN(C(C)C)C(C)C"]
["51211693","CC(C)N(CCC(O)=NN)CC(=N)O"]
["65295805","CCN(C)C(C)C(C)(C)[O-].[Pb+]"]
["118817690","CN=C(NCCCN(C(C)C)C(C)C)N1CCN(CC(=O)N2CCOCC2)CC1"]
["118443305","CCN=C(NCCCN(C(C)C)C(C)C)NCc1ccc(C(=O)NC)cc1.I"]
["121598136","Cc1cccc(C)c1OCCN(CCS(C)(=O)=O)C(C)C"]
["9183235","CCCCCN(CC(O)=[NH+]c1cc(C)no1)C(C)C"]
["67119033","CCC(N)C(N(CCCO)C(C)C)C(C)(C)C"]
["87328520","C=CCN(C(CC)CN)C(C)(C)C"]
["53768376","CC(C)N(Cc1ccccc1)C(N)CCCN"]
["78096195","C[SiH](C)OC(CN(C(O[SiH](C)C)C(C)(C)C)C(O[SiH](C)C)C(C)(C)C)C(C)(C)C"]
["199984558","CC.CCN(C)CCC(=O)N(C)CCCN(C)C(C)C"]
["47017841","CC1=C(C)c2c(C)c(C)c3c4c(c(C)c(C)c1c24)C([O-])=C3[O-]"]
["99451159","CC1=C(C)[C+](C)C=C(B(O)O)C1=[Si-]"]
["21162079","CCOC(=O)C1=C([O-])C([O-])=C(C(=O)OCC)C1"]
["10388952","Cc1c(Br)c([O-])c(Br)c(C)c1[N+](=O)[O-]"]
["24998255","Cc1c(C)c(C)c(C2=CC(C)CC(=O)O2)c(C)c1C"]
["34357187","Cc1c(Br)c(Br)c(C)c2c(C)c(Br)c(Br)c(C)c12"]
["98581183","Cc1cc2c(-c3c(C)c(C)c4c5c(c(C)c(C)c(C)c35)-c3c-4c(C)c4c(C)c(C)c(C)c(C)c4c3C)c(C)c(C)c3c2c(c1C)-c1c-3c(C)c2c(C)c(C)c(C)c(C)c2c1C"]
["57629099","Cc1cc(C)c2cc(S)oc2c1C"]
["108609965","Cc1ncc(-c2c(C=O)coc2Br)o1"]
["89360128","CCC(=O)Cc1[nH]oc(=O)c1C"]
["26281958","CC1=C(C)c2c(ccc(C)c2C)C1=O"]
["68161945","Cc1snc([O-])c1C.[Y+3]"]
["149086811","[3H]CCCC/C(SCC)=C(\\CC)SC(CC)C1S/C(CC)=C(/CCC([3H])C)SC(CC(CC)S/C(CC)=C(/CCC([3H])C)SCC)C(C)S/C(CC)=C(/CCCC[3H])SC1C"]
["82776604","CCCCc1nc(SCCC)nc2c1nnn2C1OC(C=CC(=O)O)C(O)C1O"]
["6795199","CCCCc1ccc(N2C[C@H](C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1"]
["MCULE-7006319011","CCCCCC(CC)N=C(O)C(C)N=C(O)C=Cc1ccc(Cl)cc1Cl"]
["128537864","CCCCC(=O)N1CSCC1C(=O)N=c1cc(CC)[nH][nH]1"]
["170274660","CCOC1(c2ccccc2)OC2[C@H](O)[C@H](OC)O[C@@H](C)[C@H]2O1"]
["171032704","CCCCC[C@H](O)CC[C@@H]1C(SCCCCCC(=O)OC)=C(OC(=O)CCC)C[C@H]1O"]
["24955169","CCCCc1ccc([C@H]2CC[C@@](C#N)(CCCC)CC2)cc1"]
["100577934","CCCC(=O)CCCc1ccc(-c2ccc(C)c3c2CC(CC(CCC)C(CC)C(=O)CC(C)=O)CC3=O)cc1"]
["91305350","CCSC(SCC)=C1CC(C)SC1=O"]
["30649276","CCCCc1ccc(CCC2CCC(c3ccc4c(c3)SC(CC)(CC)O4)N2CO)cc1.Cl"]
["21522805","CCCCc1c(O)nc(SCCN(CC)CC)nc1O"]
["176072990","C1=NCCN1C1=NCCN1C1=NCCN1N1C=NCC1"]
["169874512","N#Cc1ccc(CN2CCC3=C(C2)C(=O)N(Cc2ccc(Cl)cc2)C2=NCCN23)cc1"]
["45539114","Cc1c(NN2C=NCC2)ccc2nccnc12"]
["170796037","CN1CCc2ccc(Nc3ncc4c(n3)N3CCN=C3N(c3c(Cl)cccc3Cl)C4=O)cc2C1"]
["174872563","C1=NCCN1c1ccccc1.CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl"]
["84662280","Cc1cc(SCC(=O)N2CCN=C2O)ccc1N"]
["47416245","C=CCC(CCO)(C(=O)O)N1C=NCC1"]
["195792217","CC1CCC=CC=C1CN1C(=O)C2=C(CCN(/C=C3/C=CC=CC3)C2)N2CCN=C12"]
["30771809","COc1ccc(N2C=NCC2)cc1-c1cc(-c2cc(N3C=NCC3)ccc2OC)on1"]
["161998798","[O]CC1=CSC2=NCCN12"]
["159800833","CC(C)Oc1cccc(N2C=NCC2)c1"]
["176269563","CC.CN1Cc2cnc(N3CCOC3=O)nc2C1"]
["183865321","[N-]=[N+]=Nc1c(Cl)c(Cl)c(Cl)c(-c2c(CCl)c(Cl)c(CCl)c(C(Cl)(Cl)CCl)c2C(Cl)(Cl)CCl)c1Cl"]
["181899033","Cc1cccc(C#Cc2ccc(N=[N+]=[N-])s2)n1"]
["182923969","[N-]=[N+]=Nc1c[nH]c2cc(Cl)cc(Cl)c12"]
["182385361","CC[Si](CC)(CC)Cc1cccc(C[Si](CC)(CC)CC)c1N=[N+]=[N-]"]
["183760697","[N-]=[N+]=Nc1ccnc(CCl)n1"]
["184043802","[N-]=[N+]=NS(=O)(=O)OCC(F)(F)Cl"]
["182742327","COCCS(=O)(=O)N=[N+]=[N-]"]
["181031403","CCCC1CC[SiH](c2ccc(N=[N+]=[N-])cc2)CC1"]
["182403518","COc1cc(Cl)cc(N=[N+]=[N-])c1CN"]
["181803791","COc1cc(-c2c(N=[N+]=[N-])c3ccc(OC(C)=O)cc3oc2=O)cc(OC)c1OC"]
["183908107","CC(C)(C)c1c(Br)c(N=[N+]=[N-])c([N+](=O)[O-])c(C(C)(C)C)c1Br"]
["181771201","[N-]=[N+]=Nc1cc(-n2cccc2)cc(Cl)n1"]
["74427700","C[C@H](C[N+]1([O-])CC[NH+]([O-])CC1)[N+]1([O-])CC[NH+]([O-])CC1"]
["84532261","CC(C)c1ccc(C2(CN)OCCCO2)cc1"]
["162275889","C=CC1=CCC(CO)C(C(C)C)C1"]
["44134753","CC(C)c1cccc(C(C)C)c1[N+]1=C[NH+](c2c(C(C)C)cccc2C(C)C)CC1"]
["75557475","CC(Cc1ccc(C(C)(C)C)cc1)C[N+]1([O-])CCCC(C)(C)C1"]
["180078209","CC(CN)C1C=CC1"]
["195096461","CC1CC[NH+]([O-])CC1CO"]
["91094447","Br.C[N+]1(CC(Br)C(=N)[O-])CCOCC1"]
["144916032","COc1cc(C(C)C)cc(CCON)c1OC"]
["89537029","CC1C(=O)N(C(C)CN)CC(=O)N1C"]
["75612862","CC(C)CCS[N+]1(C(C)C)CCCCC1"]
["178808821","CC(C)[C@@H](C)[N+]1(C)CC1"]
["178260364","C.C=[N+](CC)C1=NC2C(O[C@H](C)[C@@H]([O-])[C@@H]2[O-])S1.[U+2]"]
["154701430","CC1OC(CCN=C(O)OC(C)(C)C)=NC1C(=O)O"]
["156973385","C1=CO[C@H](CNc2cnns2)CC1"]
["104980838","CCN1CCC[C@H](NCc2csnn2)C1"]
["113495517","Cn1ccc(CC(NN)C2CSc3ccccc3O2)n1"]
["23955278","C=C1CC(C)OC(CC(C)CC(C)(C)C)C1"]
["66267959","C=C[C@H]1O[C@@H]2SC(=NCC)N[C@@H]2[C@@H](O)[C@@H]1O"]
["21288540","C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1"]
["42198300","CC1N=C(O)C(C)(C)N(Cc2ccc(Cl)s2)C1=O"]
["182332965","[N-]=[N+]=NC1=NC2C(OC(CO)C(O)C2O)S1"]
["180564336","CCC(C)CCC1N=C(C)OC1C"]
["93712985","CCc1ccc(CC(N)C2C(C)OC(C)C2C)cc1"]
["78348615","C=II(C)I(C)I(C)I(C)I(C)C"]
["179713103","C=I[C@H](C)C(C)(C)C(F)(F)F"]
["195429868","C=IC(F)(F)S(C)(=O)=O"]
["180224772","C=[N+](C)[C@@H](C(C)C)I(C)O"]
["180645464","C=Ic1ccc(I(CC)I=C)cc1"]
["181789434","[CH2-]S(=O)(=O)C(S(C)(=O)=O)S(C)(=O)=O.[Cl-].[Mg+2]"]
["78401782","C=II(C)C"]
["180049728","CC(C)I(C)C(C)N"]
["179197572","C=IC1=CC=C(C)C1"]
["180134308","C=IN=NC(C)=C(C)C"]
["99722972","CI(N)[B]N"]
["178461392","C=[C-]NCN=INC"]
["195505823","CC=[C-]CCC1[C-](NP)C(I)=C(NC2C(N)=C(NP)C3=C2CCC[I+]I(C)CCCC3)C1CCCCI"]
["174203376","C=C1CCCC(/C=C/C(C)Cc2ccc(N)cc2)C1CCCCCCN"]
["154304557","C/C=C(\\C)C(=O)O[C@H]1[C@@H]2O[C@H]3[C@H](O[C@H]4[C@H](O[C@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@@H](C)O2)O[C@H](C)[C@H](O)[C@H]4O)O[C@H](CO)[C@H](O)[C@H]3O"]
["150348026","C=CC(CCCC)C(C1=C(C(=C)C(C=CC)=CCC)CCCCCC1)=[N+]1CC1C"]
["154255372","C/C=C(\\C)C(=O)O[C@H]1[C@@H]2O[C@@H]3[C@H](O[C@H]4[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](C)O2)O[C@H](C)[C@H](O)[C@H]4O)O[C@H](CO)[C@@H](O)[C@H]3O"]
["81020949","C=C1CCC(CCCCNC2CCCC2)C1CC1OC1CC(=O)C(O)C(=O)O"]
["179509358","C/C=C/c1c[c-]2c(c1C=C(C)C)N(CCCCCCl)[N-]C2C(=O)CI1CCCC[I+]1"]
["169264629","C/C=C\\C=C(C(\\C)=C(/CN=C(O)Nc1sc2c(c1C)CCCC2)C1=C(CCCC)CNCC1)/C1CCC1"]
["97646549","CC(=O)OCCC1CCCC/C1=C\\CCCCI"]
["MCULE-6137145316","CN(CCC1CCN(Cc2cnn(C)c2)CC1)C(=O)c1c2c(nn1C)CCCC2"]
["78004071","COC(=O)C1=CCC23CCC(C(C)(C=CC=C(C)C([O-])=NCc4ccc(C([O-])=Nc5ccccc5N)cc4)OC2=O)C3(OC(C)=O)CC1.[Ca+2]"]
["179458985","CC1C(=O)N(C(C)C)C(=O)C1CCC(C)(C)N1C(=O)C(C)C(CCCC(C)N2C(=O)C3=C(CCCC3)C2=O)C1=O"]
["173505049","IC1=CCC(I)=C(I)C1(I)c1c(I)c(I)c(I)c(I)c1I"]
["195916879","CC1(I)CCC=C(F)C1"]
["163252587","NC1(CO)CCOc2c(I)cccc21"]
["102912997","CC12C(=O)CCCC1(Sc1ccccc1)Oc1c(I)ccc(CC[N+](=O)[O-])c12"]
["49539372","CNCC1(c2cccc(F)c2)CC2(CCC2)C1"]
["87128","O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2c(I)c(I)c(I)c(I)c21"]
["161696634","O=C1C(O)=CCCC1(O)O"]
["143750892","CC(C)CC(O)=Nc1cccc(CN=C(O)NC2CCOC3(CCCC3)C2)c1"]
["85544401","Cc1ncn(CC2(CS)CCC2)c(=O)c1I"]
["157052940","CC1=CCCC(C)(C)[C@@H]1/C=C/[C@H](C)Br"]
["91149851","OCC1=CCC(CO)=CC1"]
["95557986","CC1(Nc2ncnc(O)c2I)CCCC1"]
["188769887","O=C1OC2(O/C3=C4\\C5CC6C(=O)OC(C5)(OC(=O)C(F)(F)S(=O)(=O)NS(=O)(=O)C3(F)F)C46)CC3CC1C2C3"]
["156226943","CN1C(O)=N[C@H]2[C@@H]3NC(=O)c4c(Br)c(Br)c(Br)n4[C@@H]3C[C@]21O"]
["189873299","OC(Cn1nc(C(F)F)c2c1C(F)(F)C1C[C@H]21)=NC(Cc1cc(F)cc(F)c1)c1nc2c[nH]nc2cc1-c1ccc2ccnn2c1"]
["180792870","O=C1OC(=O)C2(F)C1(F)C1(F)C(=O)OC(O)C21F"]
["58755133","CC1(C)[C@@]2(C)CC[C@]1(C(=O)OC[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C13CC4CC(CC(C4)C1)C3)OC2=O"]
["82220019","CCOC(=O)c1[nH]nc2c1[C@H]1CC1C2(F)F"]
["82220650","CCOC(=O)c1[nH]nc2c1[C@H]1C[C@H]1C2(F)F"]
["189762183","CO[C@@H]1C2C(=O)[C@H]3C(=C(CC=C(C)C)C4=C(C=CC(C)O4)C3O)O[C@@]23[C@H]2C[C@@H]1C(=O)[C@]3(C/C=C(\\C)C(=O)O)OC2(C)C"]
["69238103","COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@H]4C2=O)c(OC)c1"]
["73702844","CC(C)=C1C(=C(C)C)C2CC1CC2C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(C(F)(F)F)C(F)(F)F)C2"]
["44373851","CC12CC3CC(C(=O)O1)C2C3"]
["109366778","O=C1OC(=O)[C@@H]2[C@H]1[C@H]1CC[C@@]2(C2OCCO2)O1"]
["184135434","[O-][N+]1(C2CCC(C3NCCNC3C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)CC2)C2CCNCC2C2CC(N(C3CCCCC3)C3CCCCC3)CCC21"]
["178550030","CC1CCCC(CC(CC2CCCCC2)C2CC(N(C3CCCCC3)C3CCC4C5CCC(N(C6CCCCC6)C6CCCC(C)C6)CC5C(c5ccccc5)C4C3)CC3C2CCCC(C)N3C2CCC(N(C3CCCCC3)C3CCCC(C)C3)CC2)C1"]
["172154952","C1CCC(C2CC(C3CCC(N4C5CCNCC5C5CC(N6C7CCCCC7C7CCCCC76)CCC54)CC3)NC(C3CCCCC3)N2)CC1"]
["171864232","C1CCC(N(C2CCNCC2)C2CCC3CCC4CCC(N(C5CCCCC5)C5CCNCC5)C5CCC2C3C45)CC1"]
["28450932","Cc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCCS3)c(Cl)c1"]
["168970764","Cc1cc(=NC2CCNCC2)[nH]c(=NCc2cn(CCCNCCCNC3CCCCC3)nn2)[nH]1"]
["104650999","CN(C1CCCCCC1)[C@@H]1CCCNC1"]
["179467939","CN(P)C1CC(C)(C)[N+]([O-])(C2CCCCC2)C(C)(C)C1"]
["146309551","Cl.OC(=NC1CC1C1CCCCC1)C1CCNC1"]
["177169237","CC1CCCC(N(C2CCCCC2)C2CCC(C=CC3CCC(C=CC4CCC(N(C5CCCCC5)C5CCCC(C)C5)CC4)CC3)CC2)C1"]
["180610113","COC1CCCC(N(C2CCCCC2)C2CCC(SC3CCC(N(C4CCC(N(C5CCCCC5)C5CCCC(OC)C5)CC4)C4CCC5C6CCCCC6C(C)(C)C5C4)CC3)CC2)C1"]
["186362428","C1CCC(C2CCCC(N3C4CCCCC4C4CCC(C5CCC6C(C5)C5CCCCC5N6C5CC(C6CCCCC6)NC(C6CCCCC6)C5)CC43)C2)CC1"]
["172600858","C1=C(Oc2ccccc2)C(Oc2ccccc2)(Oc2ccccc2)C2(Oc3ccccc3)C(=C1)N(Oc1ccccc1)C(Oc1ccccc1)(Oc1ccccc1)C(Oc1ccccc1)(Oc1ccccc1)C2(Oc1ccccc1)Oc1ccccc1"]
["29627925","O=C(CCCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1)N1CCCOc2ccccc21"]
["156394099","C[C@@H](C(O)OCCOc1ccccc1)C1CCCC2CC[C@@](C)(O)OCC21"]
["198373883","C=C(S/C=C(\\C)C(P)=Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1N1CCC[C@@H](CNC)C1)c1ccnnc1"]
["193131518","COCCOc1cc(CC(=O)Cc2cccc(OC)c2)ccc1Oc1ccccc1"]
["117557585","O=C(Oc1ccccc1)N1CCCN(C(=O)Oc2ccccc2)CC1"]
["185306550","O=[N+]([O-])c1cnc2cc(-c3ccc(Oc4ccccc4)cc3)nn2c1"]
["173890429","Nc1c(-c2ccc(Br)cc2Oc2ccccc2)c(=O)c1=O"]
["191830796","CCCCNc1cc(CNCC)cc(S(C)(=O)=O)c1Oc1ccccc1"]
["68393735","N=C(O)N1CCC(C(=O)ON2CCCC2)(c2ccccc2)CC1"]
["67493213","O=[N+]([O-])c1ccc(Oc2ccccc2)c(C(O)=NCC(c2ccco2)N2CCCC2)c1"]
["25548278","Nc1ccc(Cl)c(Oc2ccccc2)c1"]
["179824038","CCn1c(O)nc2cc3c(cc21)Oc1c(Cl)c2c(c(Cl)c1=N3)Oc1c(c(I)c3nc(O)n(CC)c3c1I)N=2"]
["173573303","CC.CSc1cc(C2COCCO2)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI"]
["49787589","CCCn1c(-c2ccc(Br)cn2)nc2cc(C#N)ccc21"]
["128780845","CCn1c(O)nc2cc(C(=O)Nc3ccnn3C)ccc2c1=O"]
["104448478","CC(=O)N(C[C@@H]1OC(c2ccc(Cl)cc2Cl)=NN1C(C)=O)c1ccc(I)cc1C"]
["164095573","CCOc1ncccc1-c1cc(Cl)c2c(n1)c(C(F)F)nn2C(C)C"]
["4256954","Cc1cc(C)c2nc(O)c(CN(Cc3nnnn3C(C)(C)C)C[C@@H]3CCCO3)cc2c1"]
["112654239","CC1CC(n2c(CCCl)nc3cc(Cl)c(Cl)cc32)CCO1"]
["MCULE-4014175644","CCN=C(O)c1cn(-c2cnc(C)cc2Cl)nc1CC"]
["42034007","Cc1ccc2c(c1)N=C(O)c1cc(S(=O)(=O)N3CC(C)OC(C)C3)c(Cl)cc1O2"]
["116806391","Cn1c(O)nc2cc(C(=O)N3CCC(CO)C3)ccc21"]
["87819881","CN(C)Cc1nc2cc(F)c(F)cc2n1CCC#N"]
["180431364","NC1=CC(c2cnc3n[n-]c(-c4nc5c([nH]4)C(C4=CC=NCC4)=CCC5)c3c2)=CI=CC1"]
["149091110","Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(F)c(C4CCN(C(C)C)CC4)cc3[nH]2)c1N"]
["161421244","N=c1[nH]c(/C(N)=C/C(=NCC2=CCC=CC=C2F)c2ccon2)ncc1N1CCOCC1"]
["29333656","CCC(CC)N=c1[nH]c(C)c(-c2c(OC)cc(C3OCCO3)cc2OC)nc1OC"]
["3439917","OC(=Nc1cn[nH]c1)N1CCc2[nH]c3ccc(F)cc3c2C1"]
["174435282","CCOc1ccccc1-c1ccc(-c2[nH]c3ccc(F)cc3c(=N[C@H](C)C(=O)O)c2C=NC)cc1C"]
["192257145","C=C1N=CN(c2cc3cc(N=c4cc5n([nH]4)CC(O)=NCC5)ncc3c(=N)[nH]2)C(C)=C1C"]
["50947676","c1cc2cc(-c3cnc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cn3)[nH]c2cc1C1=NCCCN1"]
["150600724","Cn1nc(-c2c[nH]c3ncc(OC(O)=N[C@H]4CC[C@H](N)CC4)c-3n2)c2ccc(Cl)cc21"]
["MCULE-3601244565","CCOc1ccc(C)cc1C(C)N=C(O)c1cc(=O)c2ccc(F)cc2[nH]1"]
["190405804","COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cncc(C5=CCNCC5)n4)cc32)c1F"]
["98537569","CCCCc1cc(C2=CCCCc3ncc(-c4cnn(CCO)c4)cc32)nc(=N)[nH]1"]
["100857056","O=C(O)c1cc2c3c(c1S(=O)(=O)O)C=C(O)C1SC4=C5C(=CS(=O)(=O)C4)[SH]=CC(C5=C31)S2=O"]
["65396407","CCN(CC)S(=O)(=O)c1ccc(O)c(N=C(O)Cc2csc(-c3ccccc3)n2)c1"]
["MCULE-9508378398","Cc1cc(C)nc(-n2nc(C3CCCC3)c(C(=O)O)c2I)c1"]
["145986800","CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)O)s2)CC1"]
["57197680","Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCC1CCCC1"]
["27371406","O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2=CN(c3nccc(-c4ccccc4)n3)CC2C1"]
["152953862","N=c1ccc2c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(O)(O)O"]
["42765195","Cc1nc(CS(=O)(=O)c2cc(C(=O)O)c(C)cc2C)no1"]
["148649840","CCS(=O)(=O)C[C@H]1C[C@@H](N=c2[nH]c(=NC(C)C)[nH]c(C)c2-c2nc3c(C4CC4)nccc3s2)[C@H](O)[C@@H]1O"]
["178359610","CS(=O)(=O)NCc1csc2c1S(=O)(=O)NC(C1=C(O)[C@@H]3C4CCC(C4)[C@@H]3N=C1O)=N2"]
["31087495","COc1c(-c2cc3c(s2)S(=O)(=O)N(C)CC3O)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12"]
["155130890","O=C(O)c1cc(F)cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12"]
["62389214","C1CC[C@@H]([C@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@H]2CCCC[NH+]2C3)[NH2+]C1"]
["2024818","COc1ccc([C@@H]2CCCC[NH2+]2)cc1C"]
["88191517","ONC1CCC2CCCCC2C1"]
["57716095","C1CC[C@@H]([C@]23C[C@@H](C[C@H]4CCCN[C@H]42)[C@H]2CCCCN2C3)NC1"]
["17655815","C[C@@H]1CCC[C@@H]2CCC[NH2+][C@@H]21"]
["2748910","[NH3+][C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1"]
["70604890","ClCC[NH+](CCCl)CC1CCC[NH+]2CCCCC12"]
["7852455","OC(=NCc1ccccc1)[C@H]1CCCC[NH2+]1"]
["158239725","O=S(=O)(CC1CC(F)(F)C1)N1C[C@H]2CCCC[C@@H]2C1"]
["90902181","CCC12CN3CC(CC)(C[NH+](C1)C3C1CCCC1)C2O"]
["100257790","OC1=C2CC3CCCC3CC2SS1"]
["17347267","c1cc2n(c1)CC[NH+]1CCCC[C@H]21"]
["172180412","C[Si]1(C)CC[Si]2=[Si](CCCC[Si]3=[Si]2O[Si](C)(C)CC3)O1"]
["195275108","C[Si]1CCC[Si](C)(Cl)C1"]
["26780589","C[Si]1(C)CCCCCCCC[Si](C)(C)O1"]
["175922584","C1=C[SiH]([Si]2=CCCC2)C=C1"]
["79872110","CCC(C)(S)C1CCC[Si](C)(C)O1"]
["27092318","C[Si]1(C)CCC[Si](C)(C)O1"]
["99540502","C/C=C(\\C)C1CCC[Si](C)(C)O1"]
["99602400","C[Si]1CCCCO1.[H-].[Si]"]
["63133722","C[Si]1(C)CCCCCCC[Si](C)(C)O1"]
["195275061","C[Si]1CC[Si](C)(Cl)CC1"]
["44708304","CC1CO[Si](C)(C)C1.C[Si]1(C)CCCO1"]
["66542925","NCCC[Si]1CCCCO1"]
["149987797","c1cnn(SSn2[nH+]cc[nH+]2)n1"]
["127600107","CCc1nnc(CSCCn2cccn2)n1C"]
["175899253","Cc1ccc(-n2nccn2)cc1Cl"]
["169187282","N#CC1(C#N)OC1c1ccc(-n2nccn2)cc1"]
["8641947","Cc1cc(Sc2nccn2C)n2ncnc2n1"]
["135991697","CC(N=C(O)c1ccoc1)C(=O)Nc1ccc(-n2nccn2)cc1"]
["161609142","Cc1nc2ccc(-n3nccn3)cc2s1"]
["133015195","CN=C(O)CN=C(O)Nc1ccc(-n2nccn2)cc1"]
["186301572","CO[n+]1cc(-n2nccn2)ccc1C"]
["181872502","[N-]=[N+]=Nc1ccc(-n2nccn2)cn1"]
["174783971","CSc1cc(C)nc2cc[nH+]n12"]
["197779259","ClCc1ccc(-n2nccn2)cn1"]
["78998148","CO/N=C1/CC/C(=N\\OC)C/C1=N/OC"]
["99585770","CO/N=C1/CCCC(C)(C)C1(C)[O+]=[Si-]C(C)(C)C"]
["162910408","CC(C)C1CCC(=NN)CC1"]
["49427874","COc1cc2c(c(O)c1OC)C/C(=N/O)CCC2"]
["MCULE-4719403364","COc1cc(-c2ccc(N=C(O)CCc3cccnc3)cc2F)cc(OC)c1OC"]
["161621211","CON=C1CCc2cc(C=O)ccc21.CON=C1CCc2cc(C=O)ccc21"]
["68802418","[O-]N=C1CCCC/C1=N\\O[B-](O)(O/N=C1\\CCCC\\C1=N\\[O-])O/N=C1\\CCCC\\C1=N\\[O-]"]
["114577038","O/N=C1/CCc2cc(OCc3ccc(Cl)cc3F)ccc21"]
["MCULE-8308626327","COc1cccc(CCC(O)=Nc2ccc(-c3ccc(C)cc3F)c(F)c2F)c1"]
["150426766","CON=C1CCC(CC2CCC(c3c(C)cc(C)cc3C)C2=O)CC1"]
["110882784","CO/N=C1\\c2c(cccc2OC(C)=O)CCC1C"]
["33931708","CO/N=C1\\C[C@@H](CCO)N(C(=O)c2ccc(-c3ccccc3)cc2)C1"]
["45507343","O=C1Cc2c(nnc3c2SC(=O)C3)S1"]
["191475914","CC(C)(C)c1c2c(nc3c1C3)C2"]
["51349214","C[C@@]12C(=O)SC(=O)[C@@H]1[C@H]1CC[C@@H]2O1"]
["82877275","O=C([O-])[C-]=CC1=NC(=O)C2C(=N1)SC1=C2CCCC1.[Na+].[Na+]"]
["56938566","CCCSC1=NC(=O)CS1"]
["51204918","O=C1Cc2nnc3c(c2O1)OC(=O)C3"]
["90793926","O=C1C(=CO)CSc2ncccc21"]
["162370410","COC1CCN(C2=NC(=O)CS2)C(C)C1"]
["60037918","C=C1CC(=O)SC1=O"]
["68626735","O=C1CSC2=C(SCSCS2)S1"]
["42892917","O=C1CSC=CS1"]
["6433498","O=C1CSC(=O)N1c1ccc(O)cc1"]
["51099602","CSC1=C/C(=C(\\C2=[S+]C(=C(c3cc(SC)c4ccc(C(C)(C)C)ccc3-4)c3cc(SC)c4ccc(C(C)(C)C)ccc3-4)C=C2)c2cc(SC)c3ccc(C(C)(C)C)ccc2-3)c2cc[c+](C(C)(C)C)ccc21"]
["136675172","CC(COc1ccc(C(C)(C)C)cc1)N=C(O)NC(C)CS(C)=O"]
["44886349","CC(C)(C)c1ccc(C(Cl)CCC(=O)O)cc1"]
["163136047","CC(O)[C@H](N)c1ccc(C(C)(C)C)cc1"]
["MCULE-2049679694","CC(O)=Nc1ccc(N2C(=O)C(Nc3ccc(C(C)(C)C)cc3)=C(c3c[nH]c4ccccc34)C2=O)cc1"]
["172985953","COC(=O)/C=C1\\c2ccc(C)cc2C(=O)N1c1ccccc1SC"]
["165931808","CC(C)(C)c1ccc(SCC(=O)N2CCCC2c2nc3ccccc3[nH]2)cc1"]
["95189365","CC(C)(C)c1ccc(Oc2cnccc2C(N)=NO)cc1"]
["67245840","CC(C)(C)c1ccc(OCCN2C(=O)C(=O)c3cc(Cl)ccc32)cc1"]
["MCULE-4240830197","Cc1cc(N)cc2nc(COc3ccc(C(C)(C)C)cc3)oc12"]
["61878886","Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc4ccccc4c3)[C@H]2c2ccc(C(C)(C)C)cc2)no1"]
["43999591","COC1=C/C(=C\\Nc2cc(C(F)(F)F)ccc2OC(C)C)C(=O)C=C1"]
["75863917","FC(F)([F+])C1(Cl)N=N[N+](Cl)(C(F)(F)F)C1n1ccnn1"]
["131479216","CC(C)(C)C(=O)N1CCCC(Cn2ccnn2)C1"]
["197682264","Cl.Cl.c1cn(C[C@@H]2CCCN2)nn1"]
["110820457","O=C(c1ccoc1)N1CC[C@@H](n2ccnn2)C1"]
["CSSS14831852881","COC(=O)c1ccnn1Cc1cn(C[C@H]2C[C@@H](n3ccnn3)C2)nn1"]
["154783365","Cc1noc(C)c1C(=O)N1C2CCC1CC(n1ccnn1)C2"]
["164086098","Cc1nn(CC(C)C)c(C)c1CCC(=O)N1C[C@@H](N)[C@@H](n2ccnn2)C1"]
["161088313","c1cn(C2CCCN(c3nc(C4CCCC4)ns3)C2)nn1"]
["161078669","O=C(c1ccon1)N1CCCC(n2ccnn2)C1"]
["94011943","CC1CCCC(NCCn2ccnn2)C1"]
["147533435","O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC(n2ccnn2)CC1"]
["81053814","O=S(=O)(CCc1ccccc1)N1CCC(n2ccnn2)CC1"]
["175380485","CC1=NC2=C=[NH+]C(C)=NC2=N1"]
["175166619","CC.CC.CCCn1cnc(C)c1"]
["111459134","Cc1cc(C)cc(-c2cn3cc(C(=O)O)n(C)c3n2)c1"]
["99044046","CC.O=Cc1ccc2nccn2c1"]
["132494716","COc1ccccc1CN1CCC(C(O)=Nc2ccc(C)cn2)CC1"]
["192758976","Cc1ccnnc1.[3H][n+]1cccc(C)c1"]
["199926870","CC.Cc1cn(CC2CC2)nc1F"]
["58635989","C=C1ON=C(C)C1(CC)CC"]
["176666511","CC.CC.Cc1cc2nccn2cc1C"]
["190642882","Cc1ccc2c(c1)C(c1ccccc1)=NNCC(O)=N2"]
["81720755","CC1=NC(=O)C(=C(C)NC2CC2)C(C)=N1"]
["76410876","COc1cc(C2=C3C(=O)N=C(C)N=C3N=C(O)C2)ccc1OCc1ccccc1Cl"]
["174028717","CC/C=C(/Cl)N=CC(=NC=NCC)N/C(=C/CCC)CN"]
["100881018","CCC/C=C(\\CC)C[C@@H](C)/C=C(/C)I"]
["179268896","CCC/C=C(\\CCCCCC)NCCC"]
["181243677","CCCC=C(CCCCCCCCCCCC)S(=O)(=O)O"]
["78493808","C=C(/C(C)=C\\CCC)C(/C=C(/C)CC)N/C=C(\\C)N"]
["102963953","CCC/C=N\\NC(C)(C)C"]
["188983769","C/C=N\\C(CN)=N/C(C)(C)/C(=C\\C)NC(=N)CC"]
["163465673","CCCCCCCCCCCC=NC(=O)c1ccc(C(N)=O)cc1"]
["145368146","C/C=C\\c1cc(=NCC(C)/C=C(Cl)\\C=N/CC)[nH]cn1"]
["175598470","CCc1csc(/C(C)=C/C=N\\NC)n1"]
["SN0084840-02","C=C(C)C(=O)/C(Cl)=C\\C(C)(Cl)C(Br)CCl"]
["97055240","CCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(C(=O)OCCCl)cc2)cc1"]
["67681408","O=C1C=Cc2c3c(c(=O)oc2=C1)=CC(=O)C=C3"]
["67247338","N#Cc1c(N/C=C2/C=CC(=O)C=C2O)oc(-c2ccccc2)c1-c1ccccc1"]
["165862123","C/C(NNc1nc(-c2ccc(Cl)cc2)cs1)=c1/cc2c(oc1=O)=CC(=O)C=C2"]
["149629931","CC1=CC(=O)C=CC1=C1C(C)=NC=C2NC=CN21"]
["42035188","NC1=c2cc(O)ccc2=CN=c2[nH]c(c3c2=CC(=O)C=C3)N=c2[nH]c(c3c2=CC(=O)C=C3)NC2=NC(=C3C=CC(=O)C=C23)N1"]
["164307682","Nc1ccccc1C1=NN/C(=c2\\cc3c(oc2=O)=CC(=O)C=C3)O1"]
["163943675","N#CN/C=C/C=C/C=C1/C=CC(=O)C=C1O"]
["186166354","CC12C=CC(=O)C=C1CCC1(N)C2CCC2(C)C1CCC2(O)C(=O)CO"]
["163256469","NC1=CC(=C2C=CC(=O)C(Cl)=C2)NO1"]
["162659516","O=c1ccc(F)cn1Cc1ccc(Br)o1"]
["33954748","CCOc1cc(CO)oc(=O)c1"]
["100394757","Cc1cc(=O)oc2c1=CCC(N=CO)C=2"]
["55921154","B1=BB=C2B=BB=[B-]C2B=B1"]
["110613216","B1=BB=[B-]=BB=B[C@@H]2[B+][C@@H]2B=B1"]
["92186340","O=C([C@H]1Cc2ccccc2CN1)N1CCCCO1"]
["45716198","B1=BB=[B-]=BB=BC2[B+]C2B=B1"]
["110613218","B1=BB=[B-]=BB=B[C@@H]2[B+][C@H]2B=B1"]
["151959319","B1=BB=C2B=BB=B[C@H]2B=B1"]
["102806407","B1=BB=[B-]=B[C@H]2B=B[C@@H](B=B1)[B+]2"]
["175769576","CC1=NC(C)B=B1"]
["94244273","O=C([C@@H]1Cc2ccccc2CN1)N1CCCCO1"]
["110678954","OC/C1=C(/CO)B=BB=BB=BB=BB=B1"]
["MCULE-1502610448","B1=BB=BB=BC(CCC2CO2)=C(CCC2CO2)B=BB=B1"]
["180787449","C[I+]N1CCC2[N-]O[C-]=C2C1"]
["58328888","N#CC1(C#N)C(c2cc(Br)cs2)OC23CCC4(CC2C1(C#N)C(=N)O3)OCCO4"]
["200224009","O=C(NCC(=O)N1CC2(C[C@H]1C(O)=NCc1cc(N3CCCC3)cs1)OCCO2)c1ccc(Oc2ccc(F)cc2)cc1"]
["19606399","CN(C)Cc1nc(CC(=O)N2CCC3(CC2)OCCO3)cs1"]
["2888506","CN(Cc1cc(Br)cs1)C(=O)[C@@H]1CCCO1"]
["174201378","CC1(CNc2cc(C#N)ccc2[N+](=O)[O-])CC2(CCC1(F)F)OCCO2"]
["161245451","C#CC1(O)CCC2C3CCC4(O)CC5(CC(c6cc(F)c(C)c(F)c6)C4=C3CCC21C)OCCO5"]
["85086394","CCCNC1(C#N)CCCC1CCn1cc(Br)cn1"]
["158346206","N#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12"]
["29036600","COC(=O)[C@H]1CC2(C[C@](CCNc3cc(F)cc(F)c3)(C(=O)OC)C1)OCCO2"]
["127288289","O=C(c1cc(Br)cs1)N1CCOCC1C1CC1"]
["121328541","OC(=NC1CCC2(CC1)OCCO2)N1CCN(CCc2ccccc2)CC1"]
["MCULE-9969943046","O=C(NCCC1CCC2(CC1)OCCO2)c1nn(-c2ccc(Cl)cc2)c(=O)cc1O"]
["102936293","Br[Si]12C[C@@H]3C[C@@H](C[Si+](C3)C1)C2"]
["178835393","IC1CC2CCCCC(C1)C2"]
["47443855","CC(N=c1nc(Cl)nc(Cl)[nH]1)C12CC3CC(CC(C3)C1)C2"]
["190542323","C1C2CC3CC1CC(C2)O3.C1C2CC3CC1CC(C2)O3"]
["68124901","OCC12C3C4CC1C2(Br)C43"]
["103082483","[Ge]=C1C2CC3CC(C2)CC1C3"]
["51686488","Br.Br.C1C2CC3CC1CC(C2)C3"]
["150755543","O[C@H]1C[C@H](C(F)(F)F)C1"]
["13678935","CP(C)(=S)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2"]
["9873131","C[C@@H]([C@@H](O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)[NH+]1CCCC1"]
["120181871","CC(Br)C(O)=NC(C)C12CC3CC(CC(C3)C1)C2"]
["1217396","CC[C@@H](C)[NH+]1CCN([C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)CC1"]
["192783459","CC(C)S1=NCCC[N-]1.CC(C)S1=NCC[N-]1.CC(C)S1=NCOC[N-]1"]
["19326496","COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(CC(C)C)on1)CC2"]
["53628330","CC(O)CN(C)CCN1CCCC1"]
["111457826","CCC(O)c1noc(C2(CC)CCCC2)n1"]
["113705435","COC(=O)c1[nH]c(=NC(C)C2CCOCC2)sc1C"]
["17796551","Cc1noc([C@@H](C)N2CCCCCCC2)[nH+]1"]
["136409857","COC1(CNC(O)=NCC2CCCOC2C(C)C)CCOCC1"]
["157154060","C[C@H](NC(O)=NC[C@H]1CCCS1)[C@@H](C)N1CCOCC1"]
["81257466","CCC(C)S(=O)(=O)C(C)(C)C(=O)Nc1cc(C2(CO)CCCC2)no1"]
["163073519","Cc1[nH]c(=NC(C)CC#N)nc2c1COC2"]
["113720849","CC(C)c1c(C2(C)CCCCC2)noc1N"]
["63471226","CCC(C)C(C)Nc1ccc(N)c2nonc12"]
["69579554","C=P(C=NN(C)P(=C)(C(CP(C)(C)=O)CP(C)(C)=O)C(CP(C)(C)=O)CP(C)(C)=O)(C=NN(C)P(=C)(C(CP(C)(C)=O)CP(C)(C)=O)C(CP(C)(C)=O)CP(C)(C)=O)N(C)N=CC"]
["173340437","CC(C)N(O)C(=O)CN(C)C(=O)CP(C)(C)=O"]
["189900823","C=CC(O)=NCCCCN(C)CCOP(=O)(OCCN(C)CCCCN=C(O)C=C)OC(C)C"]
["173797900","C=NN(CC(=O)O)/C(C)=C\\C"]
["176905397","CC=COC(=O)CN(C)C"]
["170379878","C=CN=C/C=C\\CCCC(C)C"]
["78582356","CC(C(N)CP(C)(=O)O)[N+](C)(C)C"]
["174538901","C=C/C=C\\C(=C/C)C(=O)OCC(=O)CC"]
["174011927","CC=NC(=O)N(C=O)CCN(C)C=O"]
["61563662","C/C=C/C=N\\N(C=O)Cc1ccccc1"]
["170669704","CCOC(=O)C(O)(/C=N/N(C)C)C(C)C"]
["173340388","CCC.CN(CC(=O)N(C)O)CP(C)(C)=O"]
["172493962","NNP(=S)(NN)C1(N)C=CCC(N)(P(=S)(NN)NN)C1"]
["52772346","COC(=O)C12C=CC(C(=O)OC)(CC1)CC2"]
["87921781","NC1(c2nccs2)CC=CC1"]
["79839312","Fc1ccccc1P(=S)([S-])N1CCCCC1.Fc1ccccc1P(=S)([S-])N1CCCCC1.[Ca+2]"]
["182677235","CC1(C(=O)O)C=CCC(CC(=O)O)(C(=O)O)C1"]
["188318993","COCC1=CCC(C)(Br)C=C1"]
["175186371","Br[C@]1(C(NCc2ccccc2)[C@@]2(Br)C=CC=CC2)C=CC=CC1"]
["161840507","NNC1([N+](=O)[O-])C=CC=CC1"]
["185438522","CCNC1(CC)C=CC(N)=CC1"]
["159670822","C=C([C@@]1(C)CC=CC1(C)C)[Si](C)(C)C"]
["173872708","CC(NC1(N)CC=Cc2ccccc21)P(=O)(O)O"]
["172564863","CC(C)(C)C1=CCC(N)(Br)C=C1"]
["79781660","C/C=C/COP=NPOC/C=C/C"]
["169909985","C/C=C/C=C1\\C\\C1=C(C)/C=C\\CC(C)F"]
["91488055","CC=CCOc1ccc(OC)c2ccccc12"]
["195124479","CCOC(CCCCC/C=C/CCCl)OCC"]
["173216210","C#C.C/C=C/C.C/C=C\\CBr"]
["1105497","CC=CCCC=CCCC=CC(=O)O"]
["157938223","C/C=C/COC[C@@H](N)CO"]
["78531925","C/C=C/COC=C1CCC(=COCC)CC1"]
["47924773","C/C=C/COCC(C)N"]
["86385442","C/C=C/COc1cccc(=NCC)[nH]1"]
["77817608","CC=CCOc1c(Br)cc(CO)cc1OC"]
["175814422","CC=CCOC(F)(F)C(F)=C(F)F"]
["194093035","FC1(F)C2(SCCS2)c2c(Br)sc(Br)c2C12SCCS2.FC1(F)C2(SCCS2)c2csc(Br)c2C12SCCS2.FC1(F)C2(SCCS2)c2cscc2C12SCCS2"]
["MCULE-8628290613","O=Cc1cscc1C1C(CS)C1(F)F"]
["158056466","CC1(C)[C@@H](CBr)[C@@H]1c1cscc1Br"]
["183581257","OCC(I)C1=C(Br)CC(F)(Cl)C(Cl)=C1"]
["156015382","C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cscc2Cl)N1"]
["20995057","Fc1cccc2c1SCC[C@H]2NCc1cc(Br)cs1"]
["158028224","NC[C@@]1(CO)C[C@@H]1c1cscc1Br"]
["188843926","C/C=N\\C(=N)c1ccc(C2(F)CCC2)cc1"]
["86047037","Fc1cc(Br)cc(F)c1C(Cl)c1cc(Br)c(Br)s1"]
["159154785","Brc1cscc1[C@H]1COC[C@@H]1Br"]
["111196227","Cc1sc(C(O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1Br"]
["111920721","CCCNC(Cc1cc(Br)cs1)CC1(OC)CCC1"]
["180029990","C=[C-]N1CCN(I=C)CCN([Br+]OC(C)[O-])CCN(I=C)CC1"]
["180081644","C=IN1Cc2ccccc2C1"]
["162561503","CC(C(=N)O)N1CC(O)C(CO)C1"]
["188164440","CC(C)C1=CN=C(C(C)C)N2CCCN=C12"]
["179368203","C=[N+](C)C(C)N1CC1"]
["12393664","CCOC(=O)C1=C(C)[NH2+]C(C(=O)[C@@H](C)N2CCC(O)CC2)=C1C"]
["16609731","COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1"]
["185424703","C=CC1(CC)OCCN1C(C)C"]
["170860936","[CH2]CC(C)CON"]
["20292767","C=CCCO[C@H](C)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1"]
["175692791","C=IN1CCN(C(C)C)CC1"]
["167166595","[CH2][C@H]1CCCN1CC(C)C"]
["179323410","C=CC(=NC1=CC=CCN=N1)N1c2nc(C3(N[C@@H]4CC(I)(I)C4=C)CC3)ccc2N2CC[C@@]1(C=C)C2"]
["59743226","[C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C3(CN4CCCC4)CCOCC3)nc2N2CCC(C)CC2)n1"]
["97920812","C=N/C=C\\C=C1/CC(c2ccc3ccccc3c2)=c2ccccc2=C1c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ncccc34)ccc2c1"]
["110969066","C=CC(O)=Nc1ccccc1Nc1nccc(-c2cc3c([nH]2)C2(CCCCN2)CN=C3O)n1"]
["179435225","C=IC(I)(I)[C@@H](C)NC(=O)c1ccc2c(n1)N[C@@]1(N)CCN2C1"]
["174102989","COc1ccc(N(C(=O)Nc2ccc(F)cc2)C(C)C2=NC3CC=CC=C3C(=O)N2N2CCN(C(=O)N3CCC(N)C3)CC2)c(OC)n1"]
["116171928","OC(=Nc1ccccc1)c1cnc(N2CCC3(CC2)OCCO3)cn1"]
["148592945","C=CC(O)=Nc1cccc(-c2ccc3cnc(Nc4ccc(N5CCN(CCO)CC5)c(F)c4F)nn23)c1"]
["179609444","[CH2+]C1C=CN(C2CC=CC=C2N2CCC3C(=N)N4CC(F)(I)CC4C(CCC)=C3C2)C1"]
["64582344","OC(=Nc1ccc(N2CCCC2)c(C(O)=NC2CC2)c1)NC12CC3CC(CC(C3)C1)C2"]
["194774274","CCc1nc(/C(N)=C(\\CN=c2nncc(C3CC3)[nH]2)N(C)N)ccc1N1CCCC(F)(F)C1"]
["187099703","C=CC(=O)N1CCOc2c1ccc1nc[nH]c(=NCc3cc(Cl)cc(Cl)c3)c21"]
["25624728","[O]N([O-])CCSC#[S+]"]
["172805059","CN(C)CCCCS[S+](=O)([O-])O.[Na+].[Na+]"]
["79844726","N#CSCCCCCCCCCCCC(=O)[O-].[K+]"]
["91464904","CCN(C#[S+])C(=O)N=C=O"]
["78735385","[O]N([O-])CCCCCCCCCCCC#CCCCCC#[O+]"]
["174143651","[Ni].[O]N([O-])O[B+]O"]
["26145618","CN(C)CCn1nnnc1SC(C#[S+])CNS(C)([O])[O-]"]
["79538812","N#CCOC(=O)CCN(CC#N)CC#N"]
["49346316","NN(CCO)C(=O)[O-]"]
["174765615","O=S([O-])N(CCl)CCF"]
["59265398","CS(=O)(=O)N([O-])CCCP(=O)([O-])[O-]"]
["185124752","N#CSCCN(c1ccc(C(F)(F)F)cc1)[N+](=O)[O-]"]
["43855551","C=CSSc1oc(SSC=C)c(SSC=C)c1SSC=C"]
["161921690","C=CSc1c(F)c(SCCN)c(SC=C)c(F)c1SCCN"]
["83992821","C=CCSc1cc2ccccc2o1"]
["79002213","C=CC=C1C=C[C](SC)C=C1"]
["175743841","C=CSC(=C)B(O)O"]
["170767839","C=CS/C(=C\\C)c1coc(F)c1"]
["33287105","C=CSc1c(F)c(F)c(Cl)c(F)c1F"]
["176069401","C.C=CC.C=Cc1oc(C)nc1C"]
["53265362","C=CSc1nc(SC=C)c(SC=C)nc1SC=C"]
["174959801","C=C/C(=C\\C=C/C)C(c1ncc(C)o1)C1CCCCC1.C=CC"]
["101313587","C=CC(C)=C1C=C(C)C(C)=C[C]1C"]
["174933338","C=CC(=O)O.O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12"]
["34634399","[CH]1C=CC=C1.[Fe+2].[O-]CCN=C([Se-])C1=CC=C[CH]1"]
["130509248","Cc1oc(C(O)=NCC2CN3CCN2CC3)cc1S(=O)(=O)N1CCCC1"]
["90720182","CC(C)(C)C1COC(C2=CC=C[CH]2)=N1.[CH]1C=CC=C1.[Fe+2]"]
["136697803","CCC(=CC(O)=NCCS(=O)(=O)c1ccc(Cl)cc1)CC"]
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["136634452","OC(=NCc1ccc(Br)s1)NN=c1cncc(Cl)[nH]1"]
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["113824929","C[C@@H](O)CNCCNS(C)(=O)=O"]
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["45218504","COC(CC(O)C(C)(OC)OC)C1OC(C)(C)OC1C"]
["78097570","Cl.Cl.NOCC(O)CNO"]
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["65310412","CCNC[C@H](O)CO"]
["184848477","O=P(O)(O)CCC(O)NCO"]
["107638260","CNC[C@H](O)c1nnc2n1CCO2"]
["176045527","CN[C@@H](CC(C)C)C(=O)N=C=O"]
["168441079","C[C+]1C=CC(=[Si]=C=C=C=[C-]CN(C)C)C=C1"]
["90246294","COc1cc(C(C#N)NCCN(C)C)cc([N+](=O)[O-])c1O"]
["61768599","CC(CC#N)N(C)S(=O)(=O)c1ccc(O)c(N)c1"]
["20427724","CN(C)Cc1cc(CN(C)C)c(O)c(-c2ccccc2)[nH+]1"]
["101959098","Cc1cccc(C2C=C(NCN(C)C)NC(=N)N2)c1C"]
["131005108","COc1ccc(CN(C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1O"]
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["108363194","COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12"]
["188282204","CN(C)CCC1CCCC(c2ccccc2)C1"]
["81775981","CN(C)C[C@H]1CCC[C@@H](CN(C)C)C1=O.Oc1cc(Cl)c(Cl)cc1Cl"]
["92205864","COc1cc(CN(C)CC(F)F)cc(OC)c1O"]
["119243226","COC(=O)CC(c1cc(C)c(OC)cc1C)C(C)C"]
["173993993","[B+]=C1[N-]C2=C(CCC[C@@H]2N(CCCCN)Cc2n[c-]3[cH-]c(=[B+])c(=[B+])[cH-][c-]3[nH]2)C(=[B+])C1=[B+]"]
["81398423","NCCCCN(CC1CC(OCc2ccccc2)CN1)C1CCCc2cccnc21"]
["111236104","Cc1cc(N(CCCN)C2CCC2)ccn1"]
["181545315","CCCN(CCC)[C@H](C)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5N=[N+]=[N-])[nH]4)cc3)cc2)[nH]1"]
["108878571","CN1CCc2c([nH]c3cccnc23)[C@@H]1CN"]
["93452381","Cc1nc(O)cc(N(CCCN)C2CCCC2)n1"]
["134081388","CN(C1CCCc2c1cnn2C)S(=O)(=O)c1ccc(Cl)cc1F"]
["87449955","CCOCCCc1nc2c([nH]1)C(C)CCC2"]
["65776477","Cn1cc(S(=O)(=O)N(CCCN)C2CCCC2)cn1"]
["123747054","OCCCCN(Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1"]
["174201770","C=C/C=C\\Cc1[nH]c(CN(CCCCN)C2CCCCc3cccnc32)nc1C"]
["85734425","CC(C)CN(CCCC(CCN)C(C)C)C1CCCC1"]
["180589955","CN1CCC2(CC1)C(O)=[NH+]C1(CC[N+](C)(C)CC1)N2Cl"]
["29015336","CN1CCC(C#N)(N=C(O)C(CC2CCCCC2)Nc2cc3ccccc3[nH]2)CC1"]
["90229090","CN1CCC(CC(F)(F)F)(C(=O)O)C(N)C1"]
["120505168","CN1CCC2(CC1)CC(=O)CCN2.Cl"]
["MCULE-1588292966","CN1CCN(Cc2ccc(-c3ccccc3CN(C)C(=O)Cc3ccsc3)cc2)CC1"]
["92476139","Cc1ccc2oc(C3(O)CCN(C)C3)cc2c1"]
["42587303","CCCc1cc(O)nc(SCc2c(C)nn(C)c2Cl)n1"]
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["148985416","CN1CC[C](O)C1"]
["85366126","CN1CCCN(CC2CCCC(C)(C)C2=O)CC1"]
["93688603","Cc1nn(C)c(Cl)c1CC1(O)CCN(C)CC1"]
["106084035","Cc1csc([C@]2(N)CCN(C)C2)n1"]
["82805459","ON1CC2N=C(S)N=C2N(O)C1"]
["157484571","Cc1cc(C)n2nc(C(=O)N3CCN[C@@H](C)[C@@H]3C)nc2n1"]
["175593657","O=C1C=CC(O)=N1.ON1CCCCC1"]
["89639404","OC1=NC(c2c[nH]c3ccccc23)CNCC1"]
["198878479","Oc1nc(N2CCC(c3ccccc3F)C2)nc2n[nH]cc12"]
["169027542","Cc1c(Br)ccc(C2N=C(S)N=C(O)C2C#N)c1C"]
["88502320","CC(C)n1cncc1C1N=C(S)N=C1O"]
["8757688","Cc1ccc([C@@H]2N=C(S)N=C2O)cc1"]
["169037835","C#Cc1cc(C2N=C(S)N=C(Cl)C2C#N)cc(F)c1OC"]
["21105179","CCOC(=O)C1=NC(S)=N[C@H](c2cc(C)cc(C)c2)/C1=C(\\C)[O-]"]
["157006483","Cc1nnc(S)n1[C@@H]1CCSC1"]
["169038509","N#CC1C(Cl)=NC(S)=NC1c1ccc(I)c(Br)c1"]
["58164073","CC1(C)OC2C3OC(C)(C)O[C@H]3C(CS[C@@H]3OC(C[O-])[C@H](O)C(O)C3N)O[C@H]2O1.[Ac]"]
["33632220","CC1(C)O[C@H]2[C@@H]3OC(=O)C[C@@H]3O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1"]
["172012287","CC1(C)OC2[C@@H](O)O[C@H](CO)[C@H]2O1"]
["10950584","CCc1cccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2N=C(C)O)c1"]
["80016518","CC[C@H]1OC(C)(C)OC1[C@@H]1OC(C)(C)OCC1O"]
["32615644","COc1c2c(cc3c1C(O)=N[C@H]1[C@@H]4OC(C)(C)O[C@@H]4[C@H]4OS(=O)(=O)O[C@H]4[C@H]31)OCO2"]
["162667404","C[C@@H]1O[C@H](O)[C@@H]2OC(C)(C)O[C@@H]21"]
["78023252","COC1C(C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC2OC(C)(C)OC21"]
["34043806","COC(=O)C(=O)C[C@@H]1OC(C)(C)N(C(C)=O)[C@H]1[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1"]
["27761773","CC(O)[C@H](N)CC(N)C(CO[C@@H]1O[C@H](CO)C(CC2OC(CN)[C@@H](O)[C@H](O)C2N)C1O)O[C@H]1OC(CN)[C@@H](O)[C@H](O)C1N"]
["101088206","CCOC(=O)[C@H]1[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)C2CCCN2[C@]12C(O)=Nc1ccccc12"]
["109052745","CC1(C)O[C@H]2O[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]3OC(C)(C)O[C@@H]3[C@H]2O1"]
["99801431","[As-]=c1ccc(=[O+]CCC[O+]=c2ccc(=[As-])[cH+]c2=[As-])c(=[As-])[cH+]1"]
["97513527","CCCCCCC#CC[Si](C)(C)c1ccccc1"]
["90781005","CC(I)CC(O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)C)c1ccccc1"]
["180775961","CCCC(=O)CCCNC(c1ccccc1)C(NCCC(=O)OCC)c1ccccc1"]
["92056032","COc1ccc(C(C)N(C)CCCN)cc1OC"]
["135920528","CCN(C)c1ccc(C(C)NC(C)c2ccc(OC)c(OC)c2)cc1"]
["99564040","CC1=[N+]=[N+](CCO)C(=[As-])C1=[As-]"]
["99480696","OCC[O+]=C1C=CC(=[As-])C=N1"]
["80225646","COc1ccc(C(O)C(CO)Oc2ccc(CCCO)cc2OC)cc1OC"]
["25182063","CC(C)c1ccc(C[O])cc1"]
["85601881","CCC(CC)Oc1ccc2c(c1)OC(C)(C)CC2=O"]
["174433187","C=CNC1=CC=CC(=[As-])[CH+]1"]
["74736971","C=C=C=PN1CC(N)C1"]
["48279312","CCO[Si](OCC)OCC.NC1CC1"]
["161521234","CN1CC(N)C(OCN2CCCCC(N)C2)C1"]
["112744429","COC1CC(N2CC(C(C)C)NCC2C(C)C)C1(C)C"]
["104887354","N[C@@H]1CC2CCN(CC2)C1"]
["163030026","CC(C)/C=C/CN1CCCC(N)C1"]
["47803914","CN1CC(N)C1=O"]
["159145051","Cc1ncsc1N1CCC(N)CC1"]
["87004091","Cc1cccc(C)c1CN1CCC(N)C1"]
["170421460","Cl.NC1CC(=O)N(O)C1"]
["162421096","N#Cc1cc(Br)cnc1N1CC(N)C1"]
["81957269","CC(C)(C#N)CCCN1CC(N)C(O)=NC1=O"]
["91306229","C1=CCC=c2ccc(cc2)=c2ccc(cc2)=c2ccc(cc2)=CC=c2ccc(cc2)=CC=c2ccc(cc2)=c2ccc(cc2)=c2ccc(cc2)=CCC=C1"]
["179347849","C1=CCC=c2[nH]cc(-c3ccccc3)c2=C1"]
["174594686","C=C/C=C(/C)C(C)(C)/C1=C(C)/C=C\\C/C=C\\C=C/C1.CC.CCCCOC"]
["161830401","C1=CCC=C1.O=C([O-])[c-]1ccc(-c2ccccc2)c1.[Fe+2]"]
["191434617","C1=CCC=C1.C=CC(=O)O.C=CC(=O)O"]
["173374105","Clc1nc2cc3c(cc2nc1Cl)=CCC=CC=3"]
["58027409","CCCOCCOC1=CCC=CN1"]
["78208578","[C]1=CCC/C=C\\C=C\\C/C=C/C1"]
["172876439","C1=CCC=C1.[Fe+2].[O-]c1ccc(C(=C(CCCO)C2=CC=CC2)c2ccc([O-])cc2)cc1"]
["180631350","NC1=CC=CCC=C1CCC(=O)O"]
["175093688","CCCC1C2=CCC=CC=C2CCN1CC"]
["48688126","C1=CCC2C(=C1)c1cccc3ccn2c13"]
["53903607","ClC1=C(Cl)C(=[Si+]CCCC[Si-]=C2C=CCC(Cl)=C2Cl)[C-]=C[CH+]1"]
["195959802","CCCC[Si-]=C1C=C[I+]CC1"]
["173962530","CC1=C[CH+]C=CC1=[Si-]CCCOCC1CO1"]
["79251316","CC(C)(C1=C(Cl)CC=C1)C1=C(Cl)CC=C1.[Zr]"]
["173901302","OC(=NCCCc1ccccc1Cl)C1=CCC2CNCC1N2"]
["161249023","CNS/C(C1=CC=C(Cl)CC=C1)=C(/C)N"]
["179481701","C[C@H](CO)Nc1cc(C2=C(Cl)C=CCC2)nc2c(Br)cnn12"]
["173812061","CC(C)CC(=O)N1CCCc2cc(CC(=O)Nc3ccc(Cl)cc3)ccc21"]
["66093698","FC1=C(F)C(=[Si+]CCCC[Si-]=C2C=CCC(F)=C2F)[C-]=C[CH+]1"]
["61272450","COC1=C(OC)C(=[Si-]CCC(CC[Si+]=C2[C+]=CCC(OC)=C2OC)(CC[Si-]=C2C=CCC(OC)=C2OC)c2ccccc2)[C-]=C[CH+]1"]
["MCULE-2282711759","O=C(N1CCOCC(N=C(O)CCc2ccc(Cl)cc2)C1)C1(F)CC1"]
["171104675","OC(O)CCCCCCCCC[Si+]=c1ccccc1=[Si-]CCCCCCCCCC(O)O"]
["178201806","C1=Cc2[nH+]c1cc1ccc3c4[nH+]c(cc5ccc2n5[pH]n13)C=C4"]
["162202220","Cc1c(Cl)ccc2c(Br)ncn12"]
["166660707","NN=C(O)[C@H]1C[C@H](n2c(O)nc3cc(I)ccc32)C1"]
["91666291","Cc1cc(C(C)(C)C)n(-c2cccc(-n3nc(C)cc3C(C)(C)C)n2)n1"]
["431850","Cc1ccc2c(c1)c(-c1cc(-c3cn(C)c4ccc(C)cc34)[nH]n1)cn2C"]
["175822671","Cc1cc(C)n(-c2ccc(OCc3c(C)cccc3N(N)C(=O)N(C)N)cc2)n1"]
["88931238","CC(C)(N)c1nc2cc(N)ccc2n1-c1ccccc1N"]
["195375236","Nc1ccc2c(c1)nc(O)n2C1=NCCN1"]
["171672382","CCn1c(=O)n(CC)c2cc(-c3cncn3CCCn3nc(C)cc3C)ccc21.Cl"]
["178280648","[CH2+]CCc1cn(C)c2ccc(Cl)cc12"]
["88931034","CC(C)(N)c1nc2cc(N)ccc2n1C(C)(C)C"]
["67816954","Cc1cc2ccc1n2C(=O)c1ccc(C(N)=O)cc1"]
["184535363","ClC1[N-]C=CC=I1"]
["179298066","C[C@@H]1CI=C[N-]1"]
["184337349","[NH-]C1C(C2C[I+]2)=C[N-]CC1Cl"]
["174037054","O=C=NC1C[C-]=CC=C[N-]1.[Y]"]
["174374603","CC[NH+]1C=CC=CC1Cl.F[B-](F)(F)F"]
["183435077","FC1(Cl)C=CC=CC1Cl"]
["173412899","CC1=CC=CC(Cl)N=C1"]
["79262869","[CH2+]C1N=CC=C[N-]1"]
["165831694","Cl[C@@H]1/C=C\\C=C/C=C[C@@H]1Cl"]
["54559677","ClN=C1C=CC=C/C1=N/Cl"]
["181655409","[N-]=[N+]=NC1[N-]C=CS1"]
["100224487","C=C1C(Cl)CC(Cl)CC1Cl"]
["96761574","CC(C)(C)P1CP(C(C)(C)C)(C(C)(C)C)=PP1P(C(C)(C)C)C(C)(C)C"]
["187747401","CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Cu]"]
["82370495","C[Si](C)ON1CC(C(C)(C)C)CC1CO"]
["139151623","CC(C)(C)C1=P[C@@]2(C(C)(C)C)p3c(C(C)(C)C)c(C(C)(C)C)p3[C@@]3(C(C)(C)C)[P@@]1[P@]32.CC(C)(C)C1=P[C@]2(C(C)(C)C)p3c(C(C)(C)C)c(C(C)(C)C)p3[C@]3(C(C)(C)C)[P@]1[P@@]32"]
["77015496","CC1COP(C(C)(C)C)O1"]
["97893319","CC(C)(C)[P@]1CC[C@@H]1[C@H]1CC[P@@]1C(C)(C)C"]
["64025987","CC1(C)CC(C)(C)P(C(C)(C)C)C(C)(C)C1"]
["67125738","CC(C)(C)P1P(C(C)(C)C)P(C(C)(C)C)P2(=O)P1P(C(C)(C)C)P2C(C)(C)C"]
["97850720","CC(C)(C)P1CP(C(C)(C)C)P(=[Se])(C(C)(C)C)CP1C(C)(C)C"]
["101449511","CC(C)(C)[P@@]1CC[P@]1C(C)(C)C"]
["158473042","CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)[O-].[Na+]"]
["172079535","CC(C)(C)P1(=O)CCS(=O)(=O)CC1"]
["164048029","O=PC(CN=c1cco[nH]1)P=O"]
["135090219","CC(C)Cc1ccc(CN=c2cco[nH]2)cc1"]
["104170038","Cc1cc(=NC(=O)[C@H](C)Sc2cccc(N)c2)[nH]o1"]
["197821390","O=c1ccn2ccc(=NCC(F)(F)F)[nH]c2c1"]
["7145207","CCCC[C@H](CC)C(=O)N(CC(=O)N=c1cco[nH]1)C1CC1"]
["123149881","COCCC(C)NC(C)c1ccc(S(C)=O)cc1"]
["92429880","CC(C)CN=C(O)CNc1cccc(NN)c1[N+](=O)[O-]"]
["10743044","C[C@@H](C(O)=NC[C@@H](c1ccccc1Cl)N1CCOCC1)N1C(=O)CCC1=O"]
["MCULE-4921524838","CC(C)n1nccc1-c1ccc(C(C(=O)N=c2cco[nH]2)N2CCN(C(=O)OC(C)(C)C)CC2)cc1"]
["9094604","C[C@H](C(=O)N=c1cco[nH]1)n1nc(-n2cccn2)ccc1=O"]
["124306889","OC(CCOc1ccc(Cl)cc1)=NCC1(C(O)c2ccccc2)CC1"]
["86688734","CN(C)C(=O)CNCc1ccon1"]
["69675485","C1=CC=C(n2[nH]c3[nH][nH]c32)[N+]=C1"]
["75790354","BrCC1=CC=CC=[N+]1.[I-]"]
["186667272","[NH+]#CB1[C+]([O-])[N-]C2=CC=C[CH]N12"]
["187281552","NC1=CC=CC=C[NH+]1[O-]"]
["195071273","CN1CCCC1C1=CC=C[NH+](C)C1"]
["74484261","C1=CNC2=C[N+]=CC2=C1"]
["73726150","CN1[N+]=CC=C1Br"]
["65053027","c1cc(N2CCC(NC3CC3)C2)ccc1N1CCCC1"]
["75568197","C1=CC=C(CC23CCCN2CC3)[N+]=C1.C1CCC[N]CC1"]
["9451326","N=C(O)Cn1ccc(=Nc2ccccc2S(=O)(=O)C(F)(F)F)[nH]1"]
["75916201","NC1=CC=CC=[N+]1.[Br-]"]
["75688501","SC1=NC=CC=[N+]1"]
["145254617","C#[Si]O[Si]1(N[Si](N)(N)N[Si](N[Si](N)(N)N)(OC)OS)N[Si](N)(N)N1"]
["163336680","COC(=O)C1Cc2c(C)cc(OC)cc2N1"]
["70331079","COC(=O)C1Cc2sc3c(c2C1)C(c1ccccc1Cl)=NCC(NN)=N3"]
["171618799","CO[Si](CBr)(CC[Si](OC)(OC)OC)OC"]
["54835010","COc1ccc2nc(CC3(N)CCCC3)[nH]c2n1"]
["162159624","COC(=O)C1Cc2c(Br)cc(C)cc2N1"]
["90204302","COc1ncc(Cl)c(C2(N)CC2)n1"]
["78489480","C#[Si]O[Si](C)(O[SiH](C)C)O[Si](OC)(OC)O[Si](O[Si]#C)(O[SiH](C)C)O[Si](OC)(OC)O[SiH](C)C"]
["120105516","COc1cc(NCc2cc[nH]n2)c(F)cc1N"]
["179331105","COC(C)(C)[Si](NC(C)(C)C)(OC)OC"]
["27066509","CCC[SiH](NCCN)O[Si](OC)(OC)OC"]
["148600649","C=C1CN=C(O)[C@H]([C@@H](C)OC(=O)/C=C/C(=O)OC)N1"]
["150154647","O=[Si](OC(O[Si](=O)[SiH2]O[SiH2]O)O[SiH](O[SiH3])O[SiH2]O)[SiH2]O[SiH2]O"]
["173346738","CC(=O)OC(C#N)C=C[SiH2]O[SiH3]"]
["182646491","O[SiH2]O[SiH](O)O[SiH2]O[SiH3]"]
["79843630","[SiH3]O[SiH](S)S"]
["185651308","[SiH3]O[SiH](O[SiH](O[SiH3])N1CCCC1)N1CCCC1"]
["78389163","CC(C[SiH](C)O[SiH3])C(=O)O"]
["182850789","O[SiH](O[SiH3])O[SiH2]c1ccccc1"]
["26243646","[SiH3]O[SiH]OCC(C1CCCCC1)C1CCCCC1"]
["26411310","[SiH3]O[SiH]OCC(C1CCCC1)C1CCCC1"]
["177152724","[Al+2].[CH2]CCC([O-])O[Si](=O)O"]
["98450473","O=[Si](O[SiH3])OCC(O)CO"]
["78399311","C[SiH](O[SiH2][Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](C)(C#CC(F)(F)F)C(C)(C)C)[Si](O[SiH2]O)([SiH2]O)[SiH2]O"]
["74379025","NC1=C[N+]=C2CN(N)C=CN12"]
["65597813","Nc1ncn2ncoc12"]
["MCULE-5034355811","CC(C)(C)n1nc(C2CC2)c(-c2ccccc2)c1N"]
["58800118","Nc1ccc([C@@H]2CC[C@@H](c3ccc(N)cc3)N2c2ccc(Cl)cc2)cc1"]
["172394162","NN1C=CC(CO)=CC1"]
["172517131","O=C1CN1c1ccc(N2CC2=O)cc1"]
["173166690","N=Cc1sc(-c2ccc(Cl)cc2)cc1N"]
["42883926","C1=C(c2ccccc2)CN2c3ccccc3-n3cccc3N12"]
["45161694","NN1c2ccccc21"]
["197136051","Cc1c(N)cncc1-c1cnn(C)c1"]
["185514780","Nc1nc2c(nc1-c1ccccc1)C(N)N(N)C(N)(N)N2N"]
["89126404","NCCCC(=O)N1CCc2cc(F)ccc2C1"]
["148811061","C[Si]1(C)Cc2ccc(cc2)-n2cnc3nnc4oc(nc4c32)C[Si](C)(C)c2nc3c(nnc4ncn(c43)-c3ccc1cc3)o2"]
["164467416","Brc1ccccc1-c1nc2ccccc2c2c1ncn2-c1ccccc1"]
["171388939","COc1cc2c(=O)n(-c3ccc(N4CCOCC4)cc3)cnc2c(OC)c1OC"]
["55587078","Oc1nc(N2CCCCC2)nc2ncn(-c3ccc4ccccc4c3)c(=S)c12"]
["33744266","CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc(O)c2c(ncn2-c2ccc(N)cc2)n1"]
["88950521","CN1CCNC(c2nccn2-c2ccc(N)cc2)C1"]
["148811088","C[Si]1(C)OCc2ccc(cc2)-n2cnc3ccc4oc(nc4c32)CO[Si](C)(C)c2nc3c(ccc4ncn(c43)-c3ccc1cc3)o2"]
["51100271","COc1ccc(-n2nc(CON)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1"]
["28645571","O=c1c2c(ncn2-c2ccccc2)nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1"]
["198229002","COc1ccc([C@H]2CCC[C@H]3[C@@H]4C[C@@H](CN(c5nnc(C(C)(C)C)o5)C4)CN23)cc1"]
["173864603","Cn1cc(-c2ccc(-n3cnc4ccc(N5CCC5)c(F)c43)cc2)cn1"]
["172234834","CC1(C)N=C2N(c3ccc4oc5ccc(N6C7=NC(C)(C)C(C)(C)N7C(C)(C)C6(C)C)cc5c4c3)C(C)(C)C(C)(C)N2C1(C)C"]
["44319639","FC(F)(F)c1n[c-]n(-c2cccc(=S=c3cccc(-n4c#[n+]c(C(F)(F)F)c4C(F)(F)F)[n-]3)[n-]2)c1C(F)(F)F.[Pd+2]"]
["144075248","Cc1ccc2oc(C(O)=Nc3c(C)c(C(F)(F)F)nn3C)cc2n1"]
["166749025","COC(=O)c1cc(Br)c(C(F)F)c(C(F)(F)F)n1"]
["MCULE-2021001280","Cc1ncccc1-n1nc(C(F)(F)F)c(Cl)c1Cl"]
["MCULE-9267764446","Cc1nc(C(O)=Nc2c(F)cc(-c3ccccc3C(F)(F)F)cc2F)cs1"]
["166600356","C=NN/C=C(\\C)c1nc(C(O)=Nc2cn(C3CC(O)C3)nc2-c2cccc(F)n2)cs1"]
["126300657","Cn1ncc(CSc2nnc(C3COc4ccccc4O3)o2)c1C(F)(F)F"]
["133447979","Cc1c(C(O)=NC2C3CCOC3C2(C)C)cnn1-c1cccc(C(F)(F)F)c1"]
["92401577","CC(C)(CN)n1c(C(F)(F)F)cccc1=O"]
["139649527","Cc1ccc(Cl)c(N=C(O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1"]
["52457553","CC(C)(C)N(c1cccc(=[N+]2[C-]=CC(C(F)(F)F)=N2)[n-]1)c1cccc(=[N+]2[C-]=CC(C(F)(F)F)=N2)[n-]1.[Pt+2]"]
["121892726","Cc1c(Cn2cc(CCO)c(C(F)(F)F)n2)cccc1[N+](=O)[O-]"]
["178221221","C=C1NC(=N)N=C2NC(=Nc3nc4n5c(nc(=N)nc5n3)NC(=NC3=NC5=NC(CN)=NC6=NC(C)=NC(C)(N3)N65)N4)NC(=NC(=N)N)N12"]
["199254839","CCC1C(C(=O)N=c2cc3cc(C4CCN(C5(C)COCC5F)CC4)c(C)cc3c[nH]2)C1c1cnn(C)c1"]
["147179604","Cc1nc(C)c(-c2csc(N=C(O)[C@@H]3CC[C@H](CN)O3)n2)s1.Cl"]
["175073827","Cc1ccc(Nc2c(C)c(=N)[nH]n3c(C(=O)N=c4cc[nH]cc4)cnc23)nc1.NC1CCCCC1"]
["282612","CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCC(=N)O)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1"]
["192116461","C=C1N=CN(c2cc3cc(N=c4cc5n([nH]4)CC(O)=NCC5)ncc3c(=N)[nH]2)C(C)=C1CO"]
["80740779","C=C1CC([O-])N2C(=N1)NC(=Nc1cccc(C)c1C)NC2c1ccc(OCC)cc1"]
["75847580","CNC(=N)N(C#N)CCCSCc1nc(=NC(=N)N)s[nH]1"]
["192767260","C=C1N=C(O)N(c2cc(C)c(Cc3ccc4c(c3)C3(CC3)C(O)=N4)c(C)c2)NC1=N"]
["174834242","C#C.C[C@H]1CCCN1c1nc(=Nc2cc(C(=N)O)[nH]n2)c2cccn2[nH]1.N=c1ccc(N=CO)c[nH]1"]
["28646194","C=c1cccc/c1=C(/C=C\\N)Sc1ccc(NC2=CC(C)=NC(C)(N)N2C)cc1"]
["199254820","Cc1cc2c[nH]c(=NC(=O)C3CC3c3ccccn3)cc2cc1C1CCN(C2(C)COCC2F)CC1"]
["175960669","[B]=C1CC2=C(NC3=N[C-](N[C-]4C(=[B+])C(C)C(C5CC([B+])([B+])NC([B+])([O-])C5)=C=C4OC([B+])(C)C)N[C-]=C3B2Cl)C(=S(=O)([O-])C([B+])(C)C)C1"]
["29780805","CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CC2)on1"]
["98984377","CC(O)(C(O)=Nc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl)C(F)(F)F"]
["174079157","[B]C1([B+])CC(C2=[C-]N3[N-][CH+][N-]C3[C-]=C2Cl)CC([B+])([B+])N1S(=O)(O)=C1C[N-][C-](C([B+])([B+])[B+])S1"]
["200230988","[B]C([B+])C([B+])(C)Nc1cc(C2=[C-]NC(C(O)=NCC[O-])C2)c(Cl)cn1"]
["52529879","COC(O)=N[C@@H](Cc1ccccc1Cl)C(O)=N[C@H](CCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(CO)cc1)C1CC1"]
["163584863","CC1NOC(C)C1C(O)=NC12CC(C1)[C@@H](N=C(O)COc1ccc(Cl)c(F)c1)C2"]
["127903668","CC(NC1CC(C)(C)Cc2occc21)c1ccc(S(=O)(=O)N(C)C)cc1"]
["75459562","CCC1C[C@]1(N=C(O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](N=C(O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC"]
["99864149","C[C@@H]1CC[C@@H]2O[C@]13O[B-]14O[C@H]3C(=O)O[C@H]3C[C@@H](/C=C/C[C@@H](O)C(C)(C)[C@H]5CC[C@@H](C)[C@](O5)(O1)[C@@H](O4)C(=O)O[C@H]1C[C@@H](/C=C/C[C@@H](O)C2(C)C)O[C@@H]1C)O[C@@H]3C"]
["150756290","O=c1c2c(Cl)ccc(S(=O)(=O)c3ccc4cnn(C5CCC5)c4c3)c2nc(O)n1O"]
["34342967","CC[C@H]1C[C@@]1(N=C(O)[C@@H]1C[C@@H](OC(=O)N2Cc3cc4c(cc3C2)OCO4)CN1C(=O)[C@@H](N=C(O)[C@@H](NS(=O)(=O)C1CC1)C1CCCCC1)C(C)(C)C)C(O)=NS(=O)(=O)C1CC1"]
["176108147","CC1CNCCC1Nc1nc(C2C=C(NC3=C(F)C=CCC(F)=N3)N=CC2)nc2cncc(C3CC3)c12"]
["120849988","Brc1csc(-c2ccnc(C3CCNC3)n2)c1"]
["147116122","CC1CNCCC1NS(=O)(=O)c1cccc2cccnc12.Cl"]
["177820209","Fc1cnc(N2CC3(CNC3)C2)nc1Nc1ccc2n[nH]cc2c1"]
["101503299","CC1(C)CNCC[C@@H]1Nc1nc(-c2ccnc(Nc3cc(F)ccn3)c2)nc2cncc(C3CC3)c12"]
["78738901","FC1(c2cc3c(-c4nc(N5CCNCC5)c5c(C6CC6)cncc5n4)ccnc3[nH]2)CC1"]
["29929195","Cc1cc(F)ccc1Nc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCCS2"]
["81333789","CC(=O)O.COc1nc(C)ccc1C1CC(Nc2cncc(OC3CCCNC3)n2)NN1"]
["146953052","CC1CNCCC1NC(=O)c1cc(C2CC2)[nH]n1"]
["188912204","Oc1ccccc1-c1cc2cc(C3CCNC3)[nH]c2nn1"]
["146949316","CC1CNCCC1N=C(O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F"]
["146950491","CC1CNCCC1NC(=O)c1ccc2ccc(Cl)cc2n1"]
["173125806","Sc1[n-]cbc1C1=C=C[C](NONc2c[c-]ccc2)C=C1.[K+].[U]"]
["180483818","Cc1c[c-]ccc1.[CH2-]C(F)I.[U+2]"]
["55180806","CC(Sc1cccc(NC(S)=Nc2ccccc2)c1)C(O)=Nc1cc(C(=O)O)ccc1Cl"]
["62121018","CC(C)(CO)c1c[c-]ccc1.[Li+]"]
["171448133","COc1c[c-]ccc1.[Cu+]"]
["165400970","CCOc1cccc(NC(S)=NC(C)COc2ccccc2)c1"]
["50944324","[C-]#[N+]C1=CC=C=C(C2=CC3=C=Cc4cccc(c43)[N-]2)C1.[Ir]"]
["56585305","Cc1c[c-]ccc1.[Y]"]
["79712342","C[C]1C=C=C(c2ccc(C(C)C)cc2)C=C1"]
["192505368","C.Cc1nc2ccccc2s1.SC(=Nc1ccccc1)Nc1ccccc1"]
["53223084","C1=C[N-]c2ccccc2C=1C1=[C-]C2=C=CC=NC2C=C1.[Y]"]
["174780213","[B]C1CCOC1COCc1c[c-]ccc1.[Y]"]
["398912","O=C1C[C@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)[C@@H](S1)[C@@H](O)[C@H](O)[C@H]3N2C4=O"]
["34245494","CCO[C@@H]1[C@H](O)[C@@H]2[C@H]3C[C@@]4(S[C@H]1C3=O)C(=O)N1[C@@H]3[C@@H](O)[C@@H]5CC(=O)[C@@H]3C[C@@]1(SS5)C(=O)N24"]
["32759493","O=C1N2[C@H]3CCCC[C@H]3C[C@]23SS[C@]12C[C@@H]1CCCC[C@@H]1N2C3=O"]
["178356073","[B+]=[O+]C1=C(OC)C(O)=C2C(C1)C(O)OC1[C@@H]([O-])C(C)[C@@H](C[O-])CC21C"]
["154996311","CCN1CCN(C[C@H](O)COC(C)(C)C)C(C)(C)C1=O"]
["110792748","C[Si](C)(C)O[C@@H]1CC2(SCCCS2)[C@@H]2CC(=O)[C@@H]1C2"]
["53897329","CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C2[C@@H](C)[C@H]3N(C(=O)O[C@]13C)N(CCCc1ccnc3ccccc13)CN2CC"]
["199635479","N#CC(C#N)=C(C#N)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1"]
["149844891","CCC(=O)CC1CC(=O)C2CNCC2C(=O)C(C)=CC1C"]
["179895854","C=C1C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)C(C)C(=N)[C@H](C)C[C@@](C)(O)[C@H](C)[C@@H](C)[C@@H]1O[C@H]1C[C@H](C)C[C@H](C)O1"]
["158395888","CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1O"]
["186936490","CC(=O)O.Cc1nnc(N2CC(C(=O)N3CCO[C@]4(C[C@H]5CC[C@@H](C4)N5)C3)CC2=O)s1"]
["43771100","C[18O][13C](=[18O])CCC1=C(C[13C](=[18O])[18O]C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C[13C](=[18O])[18O]C)c5CC[13C](=[18O])[18O]C)c(CC[13C](=[18O])[18O]C)c4C[13C](=[18O])[18O]C)C(C[13C](=[18O])[18O]C)=C3CC[13C](=[18O])[18O]C"]
["21990036","CCCN1CCn2nc(-c3nc4cc(OC)ccc4[nH]3)cc2C1"]
["99846153","CC(C)(C(=O)O)C1CCC(Oc2nc3cc(Cl)c(-c4ccc(-c5ccc(C(=O)N6CCC(O)CC6)cc5)cc4)[nH]c-3n2)CC1"]
["100883960","CCCCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c1c2cccnc2c2ncccc2c51)C(CCCC)=C4C)c1c2ccccc2c2ccccc2c31"]
["44614914","CCOc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CC(=O)O)cc1OCC"]
["135689360","CN(CCCc1nc2ccccc2[nH]1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O"]
["102254679","CC[C@H](C(O)=NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1"]
["97102367","COC(=O)/C=C\\C(=C/C(=O)OC)C1=C(C)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)C(CCC(=O)OC)=C4C)[nH]3"]
["86049332","CC(CCN=C(O)CCc1nc2ccccc2[nH]1)C(=O)O"]
["100976118","CCC1=C(C)c2cc3[nH]c(cc4nc5c(c6cc(C)c(cc1n2)[nH]6)CCCCC5=C4C)c(C)c3CC"]
["143127118","COCCOc1cccc(CC(=O)C(C#N)c2nc3ccccc3[nH]2)c1"]
["185219444","CCOC(=O)c1cc(-c2ccccn2)n(N2C=CC=C(Cl)N2)n1"]
["96961504","CC(C)(C)c1cc2cc(c1)[Si]([O-])([O-])C1=C[C+](C(C)(C)C)[CH+]C(=C1)[Si]([O-])([O-])[c+]1cc([cH+][c+](C(C)(C)C)[cH+]1)[Si]([O-])([O-])C1=CC(=C[C+](C(C)(C)C)[CH+]1)[Si]2([O-])[O-]"]
["101135946","CC(C)(C)c1cc(C[N+](C)([O-])CCCOC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1"]
["78696035","Cc1cc(OBOc2cc(C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1"]
["MCULE-5500131802","CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)C2c2ccc(C(C)(C)C)cc2)CC1"]
["91435671","CC(C)(C)c1cc2c3c(cc(C(C)(C)C)cc3c1)C(O)C2"]
["97344750","CC(C)(C)c1cc2c(O)c(c1)Sc1cc(C(C)(C)C)cc(c1OCCCCCCBr)Sc1cc(C(C)(C)C)cc(c1O)Sc1cc(C(C)(C)C)cc(c1OCCCCCCBr)S2"]
["99396137","CC(C)(C)c1ccc2c(c1)=c1cc(C(C)(C)C)c(=C3CCCCC3)c(C3C=Cc4ccccc43)c1C=2"]
["173615331","CCCC(CCC)(C1=Cc2c(cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1)C1=Cc2c(cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1"]
["174746254","CC(C)(C)c1cc(CCC(=O)OO)cc(C(C)(C)C)c1"]
["MCULE-5708140042","CCN(CC)CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1"]
["62486995","Cc1ccccc1[N-]c1cc(C(C)(C)C)cc(C(C)(C)C)c1[NH-].[CH-]=C1C(C(C)(C)C)=CC(C(C)(C)C)=CC1[N-]c1ccccc1[Si](CCC)(CCC)CCC.[Ni]"]
["77240417","CC(=NN=c1ccc(Cl)n[nH]1)c1ccc(C(C)(C)C)cc1"]
["67917614","C[Si](C)(NCN[Si](C)(C)C1CCC2[C-]1C1CCCCC1C1CCCCC21)C1CCC2[C+]1C1CCCCC1C1CCCCC21"]
["151214728","C[C@H](CO)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21"]
["95260794","CC1SCCCC1(CN)NCCC1CCC1"]
["162836245","CC1CCCCC1C1OC(=N)N=C1O"]
["158508289","CCc1nnc(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)n1C"]
["198297366","C=C(NC)C1CCC[C@H](C)C(C)C1"]
["109160976","C[C@@H](N[C@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21)C(=O)N(C)C"]
["136126644","COc1c(C(O)=NCC2CCCOC2C(C)(C)C)c(C)nn1C"]
["157075461","CC(C)[C@H](N=C(O)C1[C@@H]2CCCC[C@@H]12)c1nc(C2CC2)no1"]
["102056688","CN(C)[C@H](CN[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1cnn(C)c1"]
["196429061","CC1CCCC(NC[Si](C)(C)C)C1C"]
["107977078","CCO[C@H]1C[C@H](NC(O)=N[C@@H]2CCc3n[nH]cc3C2)C12CCCC2"]
["175712304","C1=CC2=Cc3cccc4cc5[n+]6c(cc7ccc(n7[n+]34)C=C1[NH+]2N=6)C=C5"]
["MCULE-7880689126","CCC(C)N1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(OC)c(OC)c2)C1=O"]
["96602121","N=C1C=C/C(=N\\c2cccc(N)c2)c2nc3ccc(N)cc3nc21"]
["45111859","COCc1nc2cccnc2n1C1CCN(Cc2ccc3nccnc3c2)CC1"]
["57721497","COc1cc2c(cc1OC)N(C1(c3cccc(Br)c3)CC1)C=NC2"]
["141249211","O=[N+]([O-])c1c(N2Cc3ccccc3C2)ccc2ncccc12"]
["10263433","COCCn1c(C)cc(C2=NNC(=Nc3cccc(C)c3)SC2)c1C"]
["MCULE-1106222954","Cc1cc(C)cc(-c2cnc3c(c2)CCN3C(=O)c2nn(C)c3ccccc23)c1"]
["106985571","Fc1cccc(-n2c([C@H]3CCCN3)nc3cccnc32)c1"]
["183331454","N=c1[nH][nH]c2nc(Nc3cccc4c3CCC4)c(Cl)c(Cl)c12"]
["180555814","CSC1=NC2(CC(c3cccc(N=C4NC5(CC(c6ccccc6)Oc6ccc(C)cc65)C(=O)N4C)c3)Oc3ccc(C)cc32)C(=O)N1C"]
["133223312","FC(F)(F)c1csc(CNC2(c3cccc(Cl)c3)CC2)n1"]
["59032972","[Pt+4].[c-]1c(Cc2[c-]c(-c3[c-]c4ccccc4s3)ccc2)cccc1-c1[c-]c2ccccc2s1"]
["87471219","NC1CCCc2nc(C3Cc4ccccc4O3)sc21"]
["104617929","CC[C@H](CC(=O)O)c1ccc(Cl)s1"]
["4271642","Clc1ccccc1/C=C\\C=N\\Nc1nc2ccccc2s1"]
["186735464","CN(I)c1ccc2c(c1)sc1ccccc12"]
["109753679","O=C(CSCc1nc2ccccc2s1)N1CCO[C@@H](c2ccc(Cl)cc2)C1"]
["75194788","CCOC(=O)Cn1c(=NC(=O)c2ccc(C)s2)sc2ccccc21"]
["44552022","CN(Cc1ccccn1)C(=O)c1sc2ccccc2c1N"]
["66156754","COc1ccc([C@@H]2CCCN2Cc2[nH+]c3ccccc3s2)c(OC)c1"]
["28020800","CC(C)(C)C(=O)c1sc2ccccc2c1CC(=O)N1CC[C@H]2CCCC[C@H]2C1"]
["102790041","CC[n+]1ccc(-c2nc3ccccc3s2)cc1"]
["174457597","Clc1ccc(-c2cc(Cc3ccccc3)c(Cc3ccccc3)s2)cc1"]
["179002130","CC=[N+]1/C=C\\Cc2cc3cc(c2)-c2cc[n+](cc2)Cc2ccc(cc2)C[n+]2ccc(cc2)-c2cc(cc(c2)-c2cc[n+](cc2)Cc2ccc(cc2)C[N+]2=CC=C3CC2)-c2cc[n+](cc2)Cc2ccc(cc2)C1"]
["97830238","CC(=O)c1ccc(C#Cc2ccc(-c3cc(-c4ccc(Br)cc4)cc(-c4ccc(Br)cc4)c3)cc2)cc1"]
["44509515","C1=CN2C=CC1=C1C=CN(C=C1)Cc1cccc(c1)C[n+]1ccc(cc1)-c1cc[n+](cc1)CC[O+]=c1ccc(cc1)=[O+]CC2"]
["175351576","C1=CCCC(c2cc(-c3ccccc3)cc(-c3ccnc(N4c5ccccc5-c5ccccc5-c5ccccc54)c3)c2)=C1"]
["67657680","C1=C[n+]2ccsc2-c2sccc2S1"]
["159665407","C=CC1(Cl)C=CC=C(c2ccccc2)C1"]
["170047449","C=[N+]1/C=C\\C(=C/C)C#Cc2ccc(cc2)C#CC(=C/C)/C=C\\[N+](=C)Cc2ccc(cc2)C[n+]2ccc(cc2)C#Cc2ccc(cc2)C#CC(=C/C)/C=C\\[N+](=C)Cc2ccc(cc2)C1"]
["175037892","CC(O)=NC1(O)C=CC=C(c2ccccc2)C1"]
["187453828","C1=Cc2c(c(C3=CC=C(c4ccccn4)CC3)c3ccccc3c2C2=CC=C(c3ccccn3)CC2)C=C(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1"]
["109179398","C[n+]1c(-c2ccccc2)cc(-c2ccc(N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)cc2)cc1-c1ccccc1"]
["176319240","C/C=C(\\C=Nc1cccc(C2=CC=CCC2)c1)C(C)(C)C.CC"]
["181743492","CCCC1(N=[N+]=[N-])C=CC=C(c2ccccc2)C1"]
["169284635","ON1[CH]C=CC(c2cnc([N-]Cc3c(F)ccc4c3CCO4)n3cnnc23)=C1"]
["144852921","NOCc1c(F)ccc2c1OCCO2"]
["MCULE-1383411093","CCOc1ccc(F)c(-c2cnc(N=C(O)c3ccc4c(c3)OCCO4)c(OC)c2)c1"]
["95586027","CN(C(=O)c1cccnc1C(F)(F)F)c1ccc2c(c1)CCO2"]
["MCULE-5749681154","Cn1ncc2ccc(-c3cccc(C(O)=Nc4ccc5c(c4)OCCO5)c3F)cc21"]
["MCULE-9888252943","N#Cc1cccc(-c2ccc3c(c2)N(C(=O)Cc2cc(F)ccc2F)CCO3)c1F"]
["MCULE-7482110566","Cc1cc(CC(=O)N2CCOc3ccc(-c4ccnc(F)c4F)cc32)on1"]
["MCULE-6631888455","COc1c(F)cccc1-c1cccnc1C(=O)Nc1ccc2c(c1)OCCO2"]
["12079051","CCN(CC)CCC[NH+](C)C(=O)Cc1ccc2c(c1)CCO2"]
["199307979","Cn1cnc(C2CC3CC(O)(CNc4ncc(C(=N)O)cn4)CC3C2)c1C(O)=Nc1ccc(F)c(Cl)c1"]
["170236722","CC(=O)CN(c1ccc(S(=O)(=O)N=c2cnc3ccccc3[nH]2)cc1)c1cncc2nncn12"]
["15637386","COCCN(CC(F)(F)F)C(=O)Cc1ccc2c(c1)CCO2"]
["169903693","C[C@@H]1C[C@@H]2CC(=O)c3[nH]c(=N)[nH]c3[C@]23NC(=N)N[C@@H]3[C@@]12CNC(=N)N2"]
["153279774","CC(C)(C)OC[C@@H]1CNc2[nH]c(=N)nc(O)c2N1"]
["162580246","CC1=CC[C@@H](C2(C)CC2)CC1=O"]
["33990657","O=C(O)C(F)(F)F.[N-]=[N+]=NC[C@@H]1[C@@H](CN=[N+]=[N-])[C@H](C(=O)CN(C=O)C=O)[C@@]2(CNC(=N)N2)[C@H]1Cl"]
["89689406","CC(C)Cc1ccc(C(=O)N2CCNCC2C)cc1"]
["59386644","C[C@@H]1C2NC(=N)NC2C[C@@H]1c1cc(Cl)cc(Cl)c1"]
["173816443","C/C=C/[C@H]1CN(C(C)=O)[C@H](C2=NCCC([C@@H]3CNC(=N)N3)O2)CC12CC2"]
["188625233","N=C1N[C@H](O)[C@]2(N1)C1[C@@H](CN3C(=O)C4=NC(Br)=C(Br)[C@H]4[C@@H]4NC(=N)N[C@@]143)[C@@H](CN)[C@H]2Cl"]
["172015057","CC1=CC=CC=CC=CC=C[C@H](C)CNC(=O)C(C)=CC=CC=CC=CC=C[C@H](C)CNC1=O"]
["77301663","[N-]=[N+]=NCC1C(CN=[N+]=[N-])C(C2(O)NC(=N)NC2O)C2(CNC(=N)N2)C1Cl"]
["85024183","CC1CCC2(CC1)CNC(=N)N2C1CC1"]
["149778959","CCC1CCC(C)(CC)C2NCC3(C)CC4(C3)CC124"]
["173282123","N#[N+]N=P1(N=[N+]=[N-])N=P(N)(N=[N+]=[N-])NP(N=[N+]=[N-])(=N[N+]#N)NP(N)(=N[N+]#N)N1"]
["181065554","[N-]=[N+]=NP1(=O)OOCOO1"]
["181371601","[N-]=[N+]=NC1=C(c2ccccc2)NC(F)(CC(O)=NCCO)N=C1"]
["183691178","[N-]=[N+]=Nc1ncccc1C1C=CC=C1"]
["182245212","[N-]=[N+]=NOc1ccc2c(N)c[nH]c(=N)c2c1"]
["183717168","[N-]=[N+]=NCn1c2c(c3ccccc31)CCCN2"]
["183759292","[N-]=[N+]=NC1=CCC(F)(CN)C=C1"]
["183101590","[N-]=[N+]=Nc1ncccc1C1CC1"]
["182725179","[N-]=[N+]=Nc1nc2ncccc2n1Br"]
["60131658","[N-]=[N+]=NP1(N=[N+]=[N-])=NP(N=[N+]=[N-])(N=[N+]=[N-])=NP(N=[N+]=[N-])(N=[N+]=[N-])=N1"]
["182601355","[N-]=[N+]=NCC(S)Cc1ccccn1"]
["183691486","[N-]=[N+]=Nc1ncccc1C1CC=CO1"]
["100314108","[2H]C1=CC(=O)C(=NNC(N=Nc2ccc(SOON)cc2Cl)c2ccc(C)cc2)C=C1Cl"]
["56181518","CC(C)N=C(O)N=C(O)[C@@H](C)Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1"]
["2876721","Cc1ccc(C)c(N=C(O)CSc2nc3c(sc4ncccc43)c(=O)n2Cc2ccccc2)c1"]
["42682394","CCC1CCCCC1NC(C)c1ccc(C)cc1"]
["58875139","COC(=O)c1c(-c2ccc(C)cc2)csc1N=C(O)CSc1nnc(C(C)Oc2ccccc2Cl)n1C"]
["56644179","Cc1ccc(-c2nnc(S[C@@H](C)C(O)=NC3CC3)nc2-c2ccc(C)cc2)cc1"]
["139783562","COc1ccc(C)cc1NCc1ccc(SC(=O)N(C)C)cc1"]
["31779159","Cc1ccc(N2C(=O)N(C)c3cc(OC(C)C(=O)O)ccc3S2(=O)=O)cc1"]
["MCULE-4769923917","Cc1ccc(C(=O)CCC(O)=Nc2ccc(Cl)c(N=C(O)c3cc(Cl)cc(Cl)c3)c2)cc1"]
["57850791","Nc1ccc(N=C(O)CCSC2CCCCC2)c(Cl)c1"]
["52979015","CCNC(Cn1cccnc1=O)c1ccc(C)cc1"]
["47137489","Cc1ccc(S(=O)(=O)N(CC(O)=NN/C=C2/C=CC=CC2=O)Cc2ccc(Cl)c(Cl)c2)cc1"]
["74891553","C/C(F)=C(\\C=C/C(F)=C/F)N=C(O)CN=C(O)CN1CNC2=C1COCN2C"]
["100622868","CC(=O)c1c(C)nn(CC(O)=NCC2(N(C)C)CCOCC2)c1C"]
["138283793","CCc1noc(CC)c1CN=C(O)N(C)CC(O)CN1CCOCC1"]
["53983961","Cc1nn(CCCN=C(O)Cn2nc(C(F)F)c(Br)c2C2CC2)c(C)c1Cl"]
["46598671","CN(C)CCN=C(O)CN1CC2=C(C1=O)C(c1ccccc1C(F)(F)F)N=C(O)N2C"]
["14853124","Cc1c(Cl)cccc1N=C(O)CN=C(O)CN1C[C@H](C)OC(C)(C)C1"]
["12879616","CC(C)CN=C(O)CN=C(O)/C=C/c1nccs1"]
["MCULE-3626748894","CCOc1ccc(CC(O)=Nc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)c(F)c2F)cc1"]
["103891343","CCN(CC)S(=O)(=O)c1ccc(O)c(N=C(O)CN=C(O)Cn2cncn2)c1"]
["51704067","CC(C)N=C(O)CN=C(O)CN1CCNCC1"]
["110114166","Cc1ccc(N=C(O)CN=C(O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Cl)c1"]
["MCULE-9175707329","Cc1nc2ccc(C(O)=NCC(O)=NCC3COc4ccccc4O3)cc2[nH]1"]
["150125694","CCC(C)(C)C12CCC(CC34CCC(CB=BC(C)(C)C)C3C4)C1C2"]
["84640969","CCC1CCC(O)(C(C)(C)CN)CC1"]
["178559016","CCC12CCC1CC(C)(O)C2"]
["86542120","CC1(C)CCC(CNC(C)(C)C)C(c2cscc2Br)C1"]
["179905714","CCC1C2CC34CCC(C3)C1C24"]
["178823479","NCCC1CCC2C1C1CCC2(CCN)C1"]
["85154359","CCC(C)(C)OC1CCCC(CO)(NC(C)C)C1"]
["96085517","CCNCC1CCCOC1c1csc(C(C)(C)C)n1"]
["176723478","CCC(=O)O[C@H]1C[C@@]2(C)C(CC[C@@H]2C(C)=O)[C@@H]2C=CC3=CC(=O)CCC3[C@H]12"]
["47758256","CC(C)(C)C(F)(F)CCCCC12CCC1COC2"]
["159211858","CCC(C)(C)[C@]1(O)C[C@H](N)C1(C)C"]
["75103226","CCC(C)(C)OOC1(OOI)CCCCC1OCI"]
["47493454","O=C1CC(=O)[c-]2ccc3c4cc[c-]5c6cc[c-]c7[c+]ccc(c8ccc(c9ccc1c2c93)c4c85)c76.[Y].[Y]"]
["MCULE-6892613844","COCC1CCN(C(=O)c2cc(-c3ccc4c(c3)C(=O)CCC4)cc([N+](=O)[O-])c2)CC1"]
["196743056","CS(=O)(=O)N(c1ccc2c(ccc3onc(C4CCC(=O)CC4=O)c32)c1)S(C)(=O)=O"]
["155722823","O=C1C[C@]2(CCCC[C@H]2N2CCS(=O)(=O)CC2)Oc2c1ccc1c2CCCC1"]
["4563417","CN(Cc1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ncn(C)c1Cl"]
["175212471","O=C=c1oc(=O)c2ccc3c4c5c6c(ccc5c5ccc1c2c35)C(=C1CC1)C1OC1C(=O)C6=C=C=4"]
["176400379","C=C1OC(=C)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)CC5=O"]
["18627241","O=C1Nc2ccc3c4c(ccc1c24)CC3"]
["MCULE-3819764176","CN(C)Cc1ccc(-c2cc(F)c(C(=O)N3CCCC(=O)c4ccccc43)c(F)c2)cc1"]
["198002398","Cc1cnn(-c2ccc(-c3cncc4c3CCCC4=O)cc2)c1"]
["190146239","O=C1CCc2ccc3c4c(ccc1c24)CCC3"]
["34527971","O=C1Cc2ccc(F)cc2Cc2cc(F)ccc21"]
["34678837","COC(OC)(c1ccc(Cl)cc1)c1[n-]c(/C(=C2\\N=C(C(OC)(c3ccc(Cl)cc3)c3[n-]c(/C(=C4\\N=C(Br)C(Br)=C4Br)c4ccc(Cl)cc4)c(Br)c3Br)C(Br)=C2Br)c2ccc(Cl)cc2)c(Br)c1Br.[Zn+2]"]
["MCULE-2408466092","COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ccc(C(=O)O)cc1"]
["69581806","CN(C(=O)OC(C)(C)C)C(Cc1ccc(Cl)cc1)C(=O)N1CCN(CCC(=O)c2ccc3nc(O)oc3c2)CC1"]
["53407359","CC(C)(C(O)=NC1[C@@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2)c1ccc(Cl)cc1"]
["5300924","COC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)c1"]
["106600980","CCC(CC)(C(O)=N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1"]
["49420803","N#CC(C#N)=CC=C(Sc1ccc(Br)cc1)c1ccc(Cl)cc1"]
["152263603","COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(Cl)cc2)cc1"]
["24307403","COc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(Cl)cc4)C3c3cccc(OC)c3OC)sc2c1"]
["176560312","O/C(=C\\C(=C/C/C=C/C1=C[NH2+]c2ccccc21)c1ccc(Cl)cc1)c1ccc(Cl)cc1"]
["100326413","CC(C)C1=C(C(=O)[N+]2(C(=O)O)C(C)CC[C@H]2C(=N)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21"]
["16570545","COc1ccc([C@@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccc(Cl)cc4)c32)cc1[O-]"]
["181805045","[N-]=[N+]=Nc1c(-c2nc3cc(-c4cc5sccc5o4)sc3[nH]2)c(-c2nc3sccc3s2)c(-c2cc3c(s2)=CC=S=3)c2nnnn12"]
["181004630","Cc1nc2ccc(-n3ncc(-n4c(N=[N+]=[N-])cc5ccc(S(C)(=O)=O)cc54)c3N)cc2[nH]1"]
["125858947","Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCCCc1nc2ccccc2s1"]
["81239524","COc1ccccc1C=C(C(O)=Nc1ccc(C)c(-n2nnnc2C)c1)c1ccccc1"]
["180984383","COc1ccc2nc3c(C)c4cc[nH]c(N=[N+]=[N-])c4c(C)c3c2c1"]
["6949417","CCc1ncc(C(O)=Nc2ccc3[nH]c(-c4ccco4)nc3c2)s1"]
["107330259","Cc1ccc(CN=C(O)c2cnc3ccsc3c2)o1"]
["33014628","O=C(c1ccc2nc(-c3ccccc3)sc2c1)N1CC(N2CCC(=O)N(C(=O)c3nccs3)CC2)C1"]
["14799197","Cc1oc(-c2cccs2)nc1CSc1nnc2c3ccccc3nc(-c3ccco3)n12"]
["110984928","Cc1nc2cc(N=C(O)c3cc4sc(N(C)CCCO)nc4s3)ccc2o1"]
["8753779","COc1cc(OC)c(-c2nc3cnn(Cc4ccc(C)o4)c3[nH]2)cc1OC"]
["42588857","Cc1ccc(CN(Cc2cc3cc(C)ccc3n3nnnc23)C(=O)c2ccncc2)cc1"]
["184591145","O=[N+]1C2CCCC2CC2CCC(CCC3CCCC(C3)C3CCC(C3)CC3CC(CC4CCC4)C31)C2"]
["127393899","CN(CC1CCC1)C(=O)C1CC2CCC1C2"]
["172115694","O=S(=O)(O)c1ccc(OS(=O)(=O)c2c(C3CC4CCC3C4)cc(C3CC4CCC3C4)cc2C2CC3CCC2C3)c2c1CCCC2"]
["159731721","O=C(CCn1nc2ccccn2c1=O)N1CCN(C2CC3CCC2C3)CC1"]
["65544655","N#CCOc1cccc(CNCC2CC3CCC2C3)c1"]
["185802544","C1CC2CC3CCC3CC2C1"]
["157819878","C[C@H](NC(O)=NC[C@@H]1CCC[C@H](O)C1)[C@H]1C[C@H]2CC[C@H]1C2"]
["92203196","CCSC1CCC(NC2CC3CCC2C3)C1"]
["151335684","CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@H]1C2"]
["158593951","O=C1N=C(O)CCN1CC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2"]
["33193010","C(#CC1C[C@H]2CC[C@@H]1C2)c1ccccc1"]
["85181694","CCCN(CC(C)(C)CN)C(=O)C1CC2CCC1C2"]
["75251747","[O-][N+]12C=C3C=CSC3OC=C1C=CC2"]
["14978799","OC(=NC[C@@H](C1=c2ccccc2=[NH+]C1)[C@@H]1CC=CS1)c1cc2ccccc2o1"]
["190936363","Clc1cncc(CC2CC2)n1"]
["173903236","CC(F)/C=C1/C=CC(C2=C3CC4(CO4)CN3C(C3CC=CS3)=N[C@H]2c2ccc(F)cc2Cl)=N1"]
["176666001","CC.NC1c2c(-c3ccccc3)cc(C3CC=CS3)nc2SC1[S+](O)CCCF"]
["177835583","O=[P+]1O[C@H](c2ccccc2)C[C@H](c2ccccc2)S1"]
["182711962","CN=C1C=CSC(N=[N+]=[N-])C1"]
["156389685","CC1N=CN=C2C=CSC21"]
["75527900","C1=CC2=COc3ccccc3C[N+]2(CNC2CC2)C1"]
["120836496","Cc1nc(-c2cccc(F)c2)sc1C1CC(N)C1"]
["195796291","COC1CC(c2ccc(S(C)(=O)=O)cc2)CC(NCC2C=CCS2)N1"]
["94868413","CCCNC(C1=COCCC1)c1cscc1C"]
["176104962","O=CN1C(C=O)(C=O)C=C[Si]1(C=O)C=O"]
["200528622","O=CC#Cc1ccc(F)c2ccccc12"]
["174671571","C/C=C/C1(C=O)C=CC=CC1(C)O"]
["171277792","O=Cn1cc(CCl)c(CCl)c1"]
["74410223","O=Cc1cn2c3c(c(F)c(F)cc3c1=O)OCCC21CC1"]
["63064950","CC1(C)C=CCC(C=O)C1"]
["159285800","O=Cc1cc(I)c(Br)cc1Br"]
["163032865","Cc1ncn(C/C=C/CS)c(=O)c1C"]
["168953424","O=Cc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1"]
["174825107","CC1(Cl)OC=CN1C=O"]
["162172495","CC(C=O)C1(C)C=CCCC1"]
["174281093","O=CC1(C=O)C=Cc2cc[nH]c2C1"]
["195342718","[B]/C(=C\\F)C(=N)C(=N)/C(Br)=C/F"]
["47171976","C[Si](C)(C)C(Br)=CS(F)(F)(F)(F)F"]
["79861717","C=NC(=O)/C(Br)=C/Br"]
["175594139","FC=C(c1ccc(Br)s1)C(F)F"]
["172615712","CC(C)(O)C(=N)C(=N)Br"]
["99531156","O=C(O)/C(Br)=C/Br.[In]"]
["42528490","FC(Br)=CBr"]
["162123050","N=C(Br)CCBr"]
["193025508","FC=C(F)F.O=S(=O)=C[O-]"]
["162261478","OC(Cc1ccccc1)C(F)=CF"]
["149976994","CC(=N)/C=C\\C(C)=N"]
["149867210","CC=C(Cl)C(=N)F"]
["96532677","ClC1CNC([N-][n+]2ccccc2)C(Br)N1"]
["513261","c1cc[n+](CCCCCCCCCC[n+]2ccccc2)cc1"]
["64876648","O[C@@H]1[C@@H](O)[C@H]([n+]2ccccc2)OC[C@H]1O"]
["59085643","CC1CCCCC1N=C(O)N=C(O)COc1c(Cl)cccc1Cl"]
["88828519","Cc1cccc(CN2CC(C(C)C)NCC2C)c1C"]
["43272047","Clc1ccc(C2NCCS2)s1"]
["94198186","CC(CN1CC(C(C)C)NCC1C)c1ccccc1"]
["65557475","N=C(O)c1ccc[n+]([C@@H]2O[C@H](CO)C(O)[C@@H]2Cl)c1"]
["86237339","CC1CN(CC2(C)CCCS2)C(C)CN1"]
["54980518","CC(=O)O.CCC(C)(C)OC(=O)[N-][n+]1ccccc1"]
["51448457","C[C@H]1CNCC[C@H]1c1ccccc1"]
["171491506","O=C(O)CCC1CCC(Br)NC1"]
["184476812","C=[P+]=CNNCNO"]
["195389006","C=C/C=C(/CNC)C(=C)C"]
["185817758","C=C(C)C(O)NCC"]
["150734331","C=C/C(=C\\S)CC(C)=O"]
["173502957","CC=NC(CNC)=C(C)C"]
["179146907","C=CC(=N)NCCNNC(=N)C=C"]
["173360136","C=C/C(C)=C/c1ccccc1C.CC.CC(C)C"]
["60155634","CC(C)(CO)NC1CCCC1"]
["63805326","C=C(CC(=O)O)C(=O)O.C=CC=C"]
["174606014","C#C.C/C=C(/CNC)OCC"]
["175689678","C=C/C=C(\\C)OC.CCC"]
["174218443","ONCNc1ccc(Cl)cc1"]
["76688070","O=CC(=C[O-])OS(=O)c1cccc(C2N=NC(S)=N2)c1.[Na+]"]
["200493706","OC(=NCC=Cc1cc(Br)cnc1O)OCC1c2ccccc2-c2ccccc21"]
["162287729","Nc1cccc(S(=O)c2ccc(F)cc2)c1"]
["7632435","Cc1cccc(OCCN=C(O)C[S@@](=O)C/C=C/c2ccccc2)c1"]
["173592879","C[C@@H]1N=C(O)O[C@H]1c1cccc(Br)c1"]
["158986042","CC[C@H](C)[C@H]1OC(O)=N[C@H]1c1cccc(F)c1OC"]
["168877694","C=CCN1[C@@H](C(=O)N(C)OC)CC[C@H]1c1cccc(Cl)c1"]
["88421357","O=C(O)Cc1ccc(S(=O)Cc2ccc(F)c(F)c2)cc1"]
["185217898","NC(C(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1[N+](=O)[O-]"]
["55177596","Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)CC(C(=O)O)=N2"]
["144032410","Cc1cccc(OCCN=C(O)CS(=O)c2ccc(C)cc2C)c1"]
["162171520","O=S(O)c1cccc([O-])c1.[Na+]"]
["167119215","CC=C(C)[SiH2]CC[Si](Cl)(Cl)Cl"]
["114794794","CC(C)=CCN1C(=O)C(C(C)(C)C)N=C(O)C1(C)C"]
["169830935","CCN(C)/C=C(\\C)CC(C)C"]
["79961631","C/C=C(C)\\C=C/CO"]
["154691647","C=CN(C)/C(C)=C\\C"]
["65829288","C/C=C(/C)CC(C)=O"]
["49812562","C/C(Cl)=C(/C)CCCl"]
["79706996","C[Si](C)(Cl)CBr.ClCC[Si](Cl)(Cl)Cl"]
["100868872","N=C(O)CCCCCCCCCC[Si](Cl)(Cl)Cl"]
["55651935","C/C=C(\\C)c1cccc(Cl)c1"]
["184494871","C/C=C(/CNN)N(C)CC"]
["157377479","CCC[Si](Cl)(Cl)CBr.CC[Si](Cl)(Cl)CBr"]
["150235359","C=C(C=CC(=C)C(C)(C(=C)C=C(CO)C(O)=CCOC)C(=C)C=C(COC)C(O)=CCOC)C(C)(C)C(=C)C=C(COC)C(O)=CCOC"]
["77212774","COCC(=Cc1ccc(Cl)cc1)C(=O)O"]
["63780677","COCC(=O)[C@@H](C)[C@@H](C)OC(C)(C)C"]
["32804382","COC/C(=C\\C(=O)OC)Sc1ccccc1"]
["187326711","C=C(/C=C\\C(=C/C)NCCN1CC(C)(C(F)(F)F)C(CNCC)=C1C=N)N/N=C\\C=N"]
["78070910","CC(C)(OCC(=O)O)C(=O)CO"]
["111985174","CCc1ccc(/C=C/C(O)=NCC(C)(O)CCOC)cc1"]
["145245183","C=C(/C=C\\C=C/COC)Cc1c(O)nc(O)nc1C1CCC(c2ccccc2)CC1"]
["174614390","C=C(NC(=N/C(C)=C/C)c1c(Cl)cccc1Cl)C(C)(C)CO"]
["75845305","C=CCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OC)c(OC)c1OC(=O)C(C)(C)C"]
["26967243","C=C(C)C(Cl)CC/C(C)=C/COC"]
["174193867","CCC[C@H](N=C(O)OC(C)(C)C)C(O)NC(=[NH2+])/C=C(\\O)CO"]
["62157037","CC[NH2+][C@H]1C[NH2+]CC[NH2+]C[C@@H]1[NH3+]"]
["88554771","CCCC(NC)C(C)C12CC3CC(CC(C3)C1)C2"]
["182774645","COOC1CCC[NH2+]C1"]
["179709318","CCCC(C(C)P)C1(C)CCCC(C2CCCCC2)CC1"]
["15828933","CC(C)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1"]
["17081609","CCCOc1ccc(O[C@H]2CC[NH2+]C2)cc1"]
["159126277","CC1CN([C@]2(CN)CSC[C@H]2C)C1"]
["12496983","C1CN([C@@H]2CC[NH2+]C2)C1"]
["120181226","CCCC(C)C(N)C12CC3CC(CC(C3)C1)C2"]
["20522859","CC[NH2+][C@@H]1N=C(c2[nH]c(C)c(C(C)=O)c2C)CS1"]
["3433374","CCC(O)=NC[C@H]1CCC[NH2+]C1"]
["27046024","CCC1(OC2(CC)CC2C)CC1C"]
["96585608","C[Si](C)(C)C(P1C=NP(C([Si](C)(C)C)[Si](C)(C)C)N=C1)[Si](C)(C)C"]
["111397532","COc1ccc(CC(N)CCC(C)(C)OC)cn1"]
["47905644","C[Si](C)(C)C(PN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["196012075","CC(C)[N+]12CC[N+](C(C)C)(CC1)CC2.[CH3-].[CH3-]"]
["182564483","CC(C)C1N=Cc2ccccc2O1"]
["164458797","Cc1cc(N(I)C(C)C)on1"]
["62085413","CCC1CCCC(C(N)c2ccnn2C)C1"]
["100240995","Cc1noc2c1ccc[n+]2C"]
["32543871","C=C(CC(C(O)=Nc1ccccc1)[Si](C)(C)C)[Si](C)(C)C"]
["107629551","C[C@@H](CN)c1cccc2c[nH]nc12"]
["162230716","Cc1nccc(C(F)F)c1CN"]
["56079209","CC(C)P(c1cccc([Si](C)(C)C)c1O)c1cccc([Si](C)(C)C)c1O"]
["173972694","C=C(C1=BBBN1C(=S)C(C)C)C(C)C"]
["194064119","C=CN=C(C(=C)C(C)C)C(C)C"]
["34364735","C=C(Br)C[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC"]
["166807013","C=C/C=C(\\C=S)C(C)C"]
["180618652","C=C(I)/C(F)=C(C(\\F)=C(/C)I)/C(C)C"]
["193437864","CC(C)C1=CNNN1O"]
["94403628","C=C(C)CCOc1c(Cl)cccc1CC(C)N"]
["MCULE-9526716529","CC(C)c1cc(-n2ncc(C3CCC3)c2I)ccc1O"]
["173711535","C=C(Oc1ccc(C)cc1C)C(OCC(C)C)=C(C)C"]
["97070445","C=C(C(C)C)C(O)CC(=O)c1ccccc1"]
["MCULE-7751901948","CC(C)c1cc(N(C)C)nc2c(N)cccc12"]
["174055945","C=C(C)Cc1ccccc1C(C)C.CC"]
["99408195","N#[N+]c1c(N=[N-])c(N=[N-])p([N+]#N)c1[N+]#N"]
["161810411","N#[N+]c1[nH]nnc1C(=O)O"]
["34150361","Cc1c(C)c([N+]#N)c(C)c(C)c1F.F[B-](F)(F)F"]
["84074530","N#[N+]c1c(Br)cc(Br)cc1Br.[Cl-]"]
["193574008","CN1C(=N[N+]#N)N(C)C(C)(C)C1(C)C"]
["96989089","N#[N+]c1c([N+](=O)O)n[n-]c1[N+](=O)O"]
["183999095","N#[N+]N=C1N=CN=C1N=[N-]"]
["193285304","CC(O)=Nc1ccc(S(=O)(=O)S(=O)(=O)c2ccc(N=C(C)O)c([N+]#N)c2[N+]#N)c(N=[N-])c1N=[N-]"]
["185069998","N#[N+]c1c(O)cccc1O"]
["173290131","N#[N+]C1=C([N+]#N)C2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C(N=[N-])=C1N=[N-])C1CCCCC61)C1CCCCC51)C1CCCCC41"]
["192295081","C.COc1c(C)c(C)c([N+]#N)c(C)c1C"]
["83954994","N#[N+]c1ccc(N=[N+]=[N-])cc1"]
["195811151","[B]1N2C=CSB2NB2C#CSN12"]
["75981489","FC(F)(F)ON1C=CC#S1"]
["157312379","CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3)CC2)cs1"]
["75386752","FC(F)(F)N1C=CC#S1"]
["26678500","[C]1=C2C=CC=CN2SN1"]
["146350414","CC(C)(C)c1nc(CN2CCN(C(=O)C3CC4CCCCC4N3)CC2)cs1"]
["174480031","O=COCCN1C=CSN1"]
["197281747","CC(C)(C)c1nc2c(S)ncnc2s1"]
["91140483","[B]1CC=CB2NCC=CN12"]
["76105907","C1#SC=CN1C1=CONN1"]
["74258834","FC(F)(F)ON1C#SC=C1"]
["26838930","[C]1=C2SC=CN2CC=C1"]
["174506309","Cn1c2nc3nc(nc4nc(nc5nc([nH]c1c1cc6nc(O)[nH]c6cc12)-c1cc2[nH]c(O)[nH+]c2cc1-5)-c1cc2c(cc1-4)[NH2+]C(=O)[N-]2)-c1cc2nc(O)[nH]c2cc1-3"]
["MCULE-7587225310","CC1CCN(C(=O)c2nc(-c3ccc4nc(O)[nH]c4c3)n3ccccc23)CC1"]
["151489829","Cc1nc2ccc(C(=O)N(C)C[C@]3(O)CCCN(c4ccnc5cccnc45)C3)cc2[nH]1"]
["194213146","Cc1ccc(Cc2ccc(-n3c(=O)n(C)c4ccccc43)cc2)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1.Oc1nc2ccccc2[nH]1"]
["54224206","CC(C)C(C)C(N)c1cc2nc(O)[nH]c2cc1Br"]
["122100010","COc1ccc(-c2cc3nc(CN(C)CCn4cccn4)[nH]c(=O)c3s2)cc1"]
["168750853","Cc1nccc(-n2cccc(N=c3cc(N)n4ncc(C(=N)O)c4[nH]3)c2=O)n1"]
["173380063","Cn1c(=O)c(N=Nc2cc3nc(O)[nH]c3cc2N=O)c(O)c2ccccc21"]
["159908341","Cn1c(=O)nc(O)c2c1[nH]c(=NCC1CCCn3ccnc31)n2C"]
["112563958","CNC(c1ccc2nc(O)[nH]c2c1)C1C2C3CCC(C3)C21"]
["121071424","O=C(N=c1cc[nH][nH]1)C(N=C(O)c1ccc2nc(O)[nH]c2c1)c1ccccc1"]
["MCULE-6669119556","CCCCCCCCCCN=C(O)C1CC(O)CN1C(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1"]
["174865133","Fc1cc2c(cc1F)C1C=c3sc4cc(F)c(F)cc4c3=CC1S2"]
["172804732","Fc1ccc2c(c1)S[C@@H](Cn1ccnc1)[C@H]2OCc1c(F)cccc1F"]
["162650858","O=C(O)c1sc2cc(I)ccc2c1F"]
["156010534","COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1"]
["169162289","Cc1cc(-c2nc3ccccc3s2)c(O)c([N+](=O)[O-])c1C"]
["184405362","CC1c2ccccc2N(C)S(=O)(=O)c2cc(Br)c(F)cc21"]
["184888240","CC(C)[C@H]1/C=C/COc2cc(F)c(F)c3c2[C@@H](c2ccccc2SC3)N2CN1C(=O)c1c(O)c(=O)ccn12"]
["169164976","Oc1cc(Br)c(F)cc1-c1nc2ccccc2s1"]
["27244576","C[C@H](N=c1[nH]c2cc(Cl)c(F)cc2s1)c1ccccc1"]
["169162803","Cc1cc(Br)c(F)c(-c2nc3ccccc3s2)c1"]
["156021384","C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c3ccsc3c2)N1"]
["162938952","COc1cc2cc(I)c(F)cc2s1"]
["198785398","N=NN[N-][N+](=S)OS"]
["82281081","N=NNCCS"]
["195789623","CN=C(O)C(C)(N=C(O)OC)C(C)OC"]
["169129286","COC(O)=NOC#N"]
["56404283","N=NN(OO)OS"]
["78487761","N=N/N=N/N(OOOS)OO[SH](=S)=S"]
["99342757","S/N=C/CCCOS"]
["101529266","SONI"]
["47075580","C=C[N+](=N)N=N"]
["79115893","N=NNP"]
["161900950","N=NNOCCl"]
["66651969","CCNN=N"]
["83280786","C[Si](C)=C1C(Cl)=C([Si-](C)C)C(Cl)=[C+]C1Cl"]
["44971910","C[Si](C)=c1c(Cl)cccc1=C=[N]"]
["69570340","Cc1cc(OC2CC2)ccc1Cl"]
["171050807","CC[Si](=C1[C+]=CC(C(C)[Si-](C)CCl)C=C1)C(C)Cl"]
["102658695","CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1)[C@@H](Br)C2=O"]
["57811976","CC1(C)CC(=O)C2(OC3=C4C5=C(CC(C)(C)CC5(O)OC4(O)CC(C)(C)C3)O2)C(=O)C1"]
["17327770","CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1)[C@@H](Br)C2=O"]
["179861289","CC1=[C-]CC([I+]C2CC[C-](C)CC2)CC1"]
["75526638","CC1[C-]=C[C+]=C(C(F)(F)F)[C]1C(F)(F)F"]
["55980444","CC(C)[Si](C)=[O+][Si-](C)C"]
["196436819","CSc1nc(Cl)c2c(n1)C[C@@H]1CC[C@H]21"]
["185662687","COC1=C(Cl)C(=O)C(F)(F)C1(F)F"]
["78165260","O=C=C1C=CC([GeH](c2ccccc2)C2C(=C=O)C(=C=O)C(=C=O)C(=C=O)C2=C=O)C(=C=O)C1=C=O"]
["175819131","C=N/C=C(\\NCC1CCCN1C)C1C=CC(c2ccc(-c3ccc(N=C)c(NCC4CCCN4C(=O)C(N=C(O)OC)c4ccccc4)c3)c3c2C2(CCCC2)CC3)=CC1"]
["7740809","Cc1cc2ccccc2n1CC(O)=N[C@H]1C[C@@H]1C"]
["194545800","C1=CC2C3C=CC1C1=C(C4=C(C5C=CC6C(C=C5)C46)C1(c1ccccc1)c1ccccc1)C23"]
["70311726","CC1=CC(=C2CC(C(O)=Nc3ccccc3)NN2)C(=O)C(C)=C1"]
["69846300","O=C1C[C@H]2CCC[C@H]2N1c1ccc(C#Cc2ccccc2)cn1"]
["24872546","SCCC#CCc1ccccc1"]
["148365542","CO[C@@H](C(O)=NC1(C(=O)O)CCC(C)CC1)c1ccccc1"]
["74497051","[2H]N(CC(=O)O)[C@H]([C]=O)Cc1ccccc1"]
["91565833","c1ccc(-c2sc3c(c2-c2ccccc2)SSc2c-3sc(-c3ccccc3)c2-c2ccccc2)cc1"]
["47866460","NC1(C(=O)O)C=C(Cl)C=CC1C(=O)c1ccccc1"]
["52803825","O=C(O)C=C1C=CC=CC1N=Nc1ccccc1"]
["185761407","ON=C(O)C1=C=C=C2CN(C=C3C=CC(=[N+]4C=NC=N4)CC3)CCC2=C1"]
["100530564","C=CC(=O)N1CCC=C(c2ccc(C(N)=O)c(Oc3ccc(Oc4ccccc4)cc3)n2)C1"]
["115344976","CC(C)(C)OC(=O)N1CCc2c(N=C(O)CN=C(O)c3ccccc3)n[nH]c2C1"]
["96616393","CN1CCN(C2=C3C(=NO[N+]3=O)C(=[N+]([O-])O)C=C2)CC1"]
["52026691","Cc1ccc(N=C(O)c2ccc(C)c(N=C(O)C(C)N3CCC(C(O)=NCC(O)=Nc4cc(F)ccc4C)CC3)c2)c(F)c1"]
["MCULE-9800148480","Cc1c(CN2CC(N=C(O)CC(F)(F)F)Cc3ccccc32)cnn1C"]
["128270572","CCCC(O)=NCC(O)=Nc1cnn(CC2CC2)c1"]
["116007883","O=C(c1ccc(=Nc2ccccc2)[nH]n1)N1CCc2ccccc2C1"]
["22486419","CCc1nnsc1C(O)=Nc1[nH+]c2c(s1)CN(Cc1ccccc1)CC2"]
["175589912","O=C(O)C1(F)C=C(N=C(O)c2ccccc2)C=C(c2ccccc2)C1"]
["131279974","OC(CCN=C(O)N1CCc2ccccc2C1)=NC1(c2ccccc2)CCC1"]
["157249389","C[C@@H]1CCC/C(=C/c2ccccc2)C1=NO"]
["8890884","N=C(N)c1ccc2nc(-c3ccc(-c4ccc(C(=[NH2+])[NH3+])cc4)o3)cn2c1"]
["MCULE-8483110028","Cc1c(F)cccc1-c1ccc2nc(C(=O)N3CCC(N4CCOCC4)CC3)cn2c1"]
["84689059","CN1C2CCC1CN(c1ccccc1C(=N)N)CC2"]
["MCULE-1378351261","COc1ccccc1CC(O)=NCc1ccc(-c2ccc(C)o2)cc1"]
["100674547","N=C(N)SCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1"]
["3054539","C=CCSc1nnc(-c2oc3nc(-c4ccccc4)cc(-c4ccco4)c3c2N)n1Cc1ccccc1"]
["160595853","Cc1cn2cc(N=C(O)N3CC(C(C)(C)O)C3)ccc2n1"]
["MCULE-5868057585","OC(=Nc1cncnc1)c1cnc2ccc(-c3cnc(N4CCOCC4)nc3)cn12"]
["MCULE-3527093865","CCOc1ccc(-c2ccc3nc(C(O)=NC4CCOC4=O)cn3c2)c(F)c1F"]
["62072877","CCCOc1ccc(C(=N)N)cc1C(=N)N"]
["21123488","Cc1ccc2nc(C[NH+]=C(O)Cc3ccccc3)cn2c1"]
["64145986","C1=CCCC(c2cn3cc4c(cc3n2)CCCC4)=C1"]
["102921798","N=CN=N/N=N/N=NC1=C[NH2+]C=C1"]
["16929941","C[C@H]1CCCN(CCCCN=C(O)C2=C[NH2+]C=C2)C1"]
["54054577","CC(C)[C@@H](CN=C1C=C[NH2+]C=C1[N+](=O)[O-])N1CCCC1"]
["162323472","O=P(=O)N=C1C=C[NH2+]C=C1"]
["180266945","CN(C)/C(C=N)=C1\\C=CC=CC1=N"]
["8982660","O=C(C1=C[NH2+]C=C1)N1CCC[C@H](N2CCCC2)C1"]
["196777017","C.CCC(C)CN=C1C=C[NH2+]C=C1"]
["11052848","CCN(CC)Cc1ccccc1CN=C(O)C1=C[NH2+]C=C1"]
["60425187","N=CN=NC(=N)c1cccnc1"]
["174624762","CC1=C[NH2+]C=CC=C1"]
["183798723","C[C@H](N=C1C=C[NH2+]C=C1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1"]
["19517693","O=[N+]([O-])C1=C[NH2+]C=CC1=Nc1ccc(N2CCCC2)nc1"]
["174020663","[B]=[P-](=[B])([B+])C(CC)(CC)[N-][P-](=[B+])(=[B+])C(CC)(CC)[N-][P-]([B+])(=[B+])=[B+]"]
["42118482","CCC(C)(CNC(C)(C)C)CN(CC(C)C)CC(C)C"]
["175342431","CCC(C)(C)COCC(C)(C)CNC(N)=[NH2+]"]
["158411411","CC[C@](C)(N)[C@@H]1CCSC1"]
["99903617","CCC(C)(C)c1cnccc1C"]
["95380855","CCC(O)CCNCC(C)(O)CC"]
["50702353","CCC(C)(CCOC)CNC(C)(C)C"]
["79921769","CC(C)O.CCOC(C)(CC)CC"]
["175936521","CCC(C)(CCO)CCCNCC(C)(C)C"]
["119837547","CCC(C)(C)CNCC(O)=Nc1ccccc1"]
["25257710","[CH2]C(CC)(CC)C(C)C"]
["111971463","CCC(C)(C)CNC(C)C1CC1"]
["74263782","C1=NC2=C[N+]=CC=C2OC1"]
["184535499","OC1C=CC=C2OCOC2=C1"]
["184989023","O=C([O-])C1=CC=C2OCOC=C2O1"]
["47513575","C1=C2COC(=C1)C2"]
["183806997","C1=Nc2cccc(-c3cccc4c3OCC=N4)c2OC1"]
["54751270","C1=CC(c2cccc3c2N=CCO3)=CCC1"]
["166782359","C1=C[N]N2CCCCOC=12"]
["193585572","C1=CNOC=C1.C1=Nc2ccccc2OC1"]
["197859963","OC(=NN=C(O)[C@@H]1CCCO1)c1csc(C2CC2)n1"]
["97802184","O=C1OC[C@@H]2C[C@@H](O)[C@@H](O)C=C12"]
["53630188","NC1=C[N+]=CC=C1[NH3+].O=[N+]([O-])[O-].O=[N+]([O-])[O-]"]
["145508829","Oc1cc(-c2cccc(C3OCCO3)c2)ccn1"]
["98172324","FC1=CC(C2C3=C(C(F)C4C(F)=C(F)C(F)C(F)C4C3F)C(C3C=C(F)C(F)C3)C3C4C5=C(C(F)C(F)C(F)CC5C23)C2C(F)=C(F)C(F)=C(F)C2C4F)=CC(F)C1"]
["195919789","CC/C=C(\\CCOC(F)F)C(=O)C(O)C1=CC(F)CC(F)=C1"]
["184164254","C=IC1=C(C2C(F)CC(F)C(c3c(F)c(F)c(-c4cc(F)c(F)c(F)c4F)c(F)c3F)C2F)C(F)=C(I)C(c2c(F)c(F)c(I=C)c(F)c2F)C1F"]
["195639309","CCC1(C2CCCC(C3=CC(F)CC(F)=C3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1"]
["179386342","N[C@H]1CCC[C@]2(CCN(C3=CC(F)CC(F)=C3)C2=O)C1"]
["81532937","CNC1CC2N=C(O)N(c3ccc(NC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)C(=O)C2CC1F"]
["178771432","CCN(C(=O)CCC(=O)O)C1C2=CC=CCC2N(C(=O)C2=CC(F)CC(F)=C2)C2CCCC12"]
["188226001","N=c1[nH][nH]c2cc(F)c([C@@H]3Nc4ccc5c[nH]nc5c4[C@H]4C5CCC(C5)[C@@H]34)cc12"]
["179483861","OC(C1=CC(F)CC(F)=C1)C1(c2ccccc2)SCCCS1"]
["194650466","CCC1COC(C2C=C(F)C(C(F)(F)OC3=CCC(C4=CC(F)=C(F)C(F)C4)C(F)C3)C(F)C2)OC1"]
["174951029","CCC(C)(C)CC(=O)C1=CNC(c2nccs2)=NC1C1=C(Cl)C=C(F)CC=C1"]
["178211086","FC1=CC(C2CCC(C3C=CC(I)CC3)C=C2F)CC(F)C1F"]
["99556393","CSC1=CC2=C([Si](C)C)C(SC)=CC2=C1"]
["46342262","CSc1cc(S)nc(C)n1"]
["145716646","CSc1cc(Cl)cc(SC)c1Cl"]
["57764990","CSC1=CC(=C(C)C)C2=CC=CC12"]
["176462268","CSc1cnc(I)nc1"]
["175774904","C[C]1C(C)=CC(C)=C1C.[CH2]C.[Ga]"]
["162901282","CSc1c(Br)cccc1NN"]
["73534430","CSC1=CC=C=C(N(C)C)[CH]1"]
["175525004","CC(C)(O)C(C)(C)O.C[Si](C)c1ccccc1"]
["83566845","CSC1=CN=[N+](c2ccccc2)C(=O)C1=O"]
["69625413","CSC1=CC(=[S+]C)C(=CN(O)C(C)(C)C)C=C1"]
["150137362","CSC1=CC=CC(C)C=C1"]
["161849699","c1c2c3c4c5c6c7c8c9c%10c%11c%12c9c6c6c4c4c9c3c1cc1cc3c%13c%14c%15c%16c(c%17c%12c6c(c%14%17)c4c%13c19)C%11C(CCC%10CCC8CC1CC2C=5C71)CC%16CCC%15C3"]
["30235524","COc1cc(F)c2c(F)c([C@@H]3CC[C@@H]4CC(C)CCC4C3)c(F)cc2c1"]
["163690717","C1=c2cc3cc4cc5c6c4c4c3c3c2C2c7c8c(cc9c%10c%11c(cc(c%12c%11c%11c(c7c3c4c%11c6%12)c8%10)C5)C9)C3CN(c4ccccc4)C(c4ccccc4)C132"]
["46156421","CN1CC2C3CC4Cc5cc6cc7cc8cc9cc%10c%11c(c%12c%13c%14c%15c(c5C4C=%14C%123)c6c3c7c8c4c9c%11c%13c4c%153)C2(C%10)C1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1"]
["195917104","O=C(O)C1C2c3cc4c5c6c3C3c7c8c9c%10c(cc%11cc%12cc%13cc(c%14c%13c%13c%12c(c%11%10)c%10c9c7c6c(c5%14)c%13%10)C4)CC8=CC312"]
["179420283","COC(=O)CCCC1(c2ccccc2)C2c3cc4c5c6c7c8c9c%10c%11c%12c%13c%14c(c%15c3c5c8c%15c%13%10)C21CC%14C=C%12CC1CC2CC(C=C6C4)C7C=9[C@H]2C=%111"]
["74071315","C=Cc1ccc(CC2N(C)CC3C4=c5c6c7c8c(cc9cc%10c%11c%12c%13c%14c(cc%15c%16c(c5c5c6c6c8c9c%11c6c%13c5c%16%14)=C(C4)C%15)=CC%12C%10)CC732)cc1"]
["184764111","c1c2c3c4c(cc5cc6cc7cc8c9c%10c(cc%11cc%12cc1c1c%12c%12c%11c%10c%10c%11c9c7c6c6c5c4c(c(c31)c%12%10)c6%11)C8)C2"]
["68254164","Oc1cc2c(c3ccccc13)C1CCC2C1"]
["78696801","CSC/C(F)=C(\\F)c1cc(F)c(C2CCC(C3CCC(/C=C/C4CCC(C(F)(F)Oc5cc(F)c(F)c(F)c5)CC4)CC3)CC2)c(F)c1"]
["188071371","CC1Cc2cc(C3=C(C=O)[C@@H](C)CC3)cc3cncc1c23"]
["190858203","CCC(C)(C)C(=O)OCC(O)COC(=O)CCSCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCC(O)COC(=O)CCSCC(C)(C)C(=O)OCC(C)C.CCC(C)(C)C(=O)OCCOC(=O)CCCC(c1ccccc1)C1c2cc3c4c5c6c7c8c9c(cc%10cc%11c%12c%10c9c7c7c%12c9c(cc1c1c2c4c6c7c19)C%11)=CC1CC(C3)C5C=81"]
["99479789","CO[P+]1(OC)N=P(N)(N)N[P+](OC)(OC)N1"]
["112465389","COc1cc(N=C(O)[C@@H]2CNC[C@H]2C)ccc1N=C(C)O"]
["178764610","COc1cnc(O)c2c1CCC(Cl)C2"]
["95228301","CCOC(C1CC1)C(N)c1c(OC)cnn1C"]
["33393287","COc1cccc2c1C(C)(c1ccccc1)NCC2"]
["168530779","COc1cccc2[nH]c(C)c(-c3c(N)cnn3C)c12"]
["70005843","CSc1ccc(OC2CC2)c(SC)n1"]
["171186658","COc1ccc(F)cc1[C@@H]1N=C(O)OCC1(F)F.Cl"]
["79025323","CCC[Si](N)(O[Si](C)(C)C)O[Si](C)(C)C"]
["76183474","COc1cc(C2=C[C@@H]3CNC[C@H]23)cnc1Br"]
["85005987","COC(OC)C(=O)c1nccn1C"]
["90669100","COc1cc2c(cc1OC)C1C(=O)N=CC=C1N2"]
["196527785","[CH+]C([CH+])([CH-])OCCOC([CH+])([CH-])[CH-]"]
["94456978","Cc1ccnc(OCCOC(C)(C)C)c1CN"]
["11040023","CC(C)(C)OCCSc1n[nH]c(=N)n1C1CC1"]
["184033380","CCOC(O)(OCCOC)ON=[N+]=[N-]"]
["107926195","C[C@](O)(Br)OCCO[C@@](C)(O)Br"]
["63042423","COCCN(C)CC(C)(C)C(C)=O"]
["175240783","COCCOC(C)(C)C(C)O"]
["149839580","CCCC(C)(C)OCCOC"]
["181707726","COOCCOC(F)(F)F"]
["26696318","[CH2]C(C)(C)OCCC"]
["23257396","Br.COCCOC(C)(C)CN"]
["78545683","CCCOC(CC)(CN)C(=O)OCC"]
["5232594","C[S+](C)O[I+]([O-])(O)O[I+]([O-])([O-])OI"]
["70507630","COc1cc(C=CCO)cc(OC)c1I"]
["162218170","COc1cc(C(F)F)nc(O)c1I"]
["1408266","Cc1[nH]nc(C(=O)[O-])c1Cl"]
["91409218","C[S+](C)OCCO"]
["75342509","CC(=O)ON1C(=O)COC1=O"]
["179771309","C=C[NH2+]C(C)=CON"]
["163064867","COc1ccc2c(c1I)CCC[C@@]2(N)CO"]
["147753161","COC(=O)c1nsc(-c2cc(C(C)C)c(OC)cc2OC)c1I"]
["174504463","COc1ccccc1[NH2+]O"]
["174347932","C=Cc1ccc(OC)c(O)c1I"]
["172219960","COC(=O)c1ncc2c(Br)c(F)ccc2c1O"]
["44728732","O=C(O)C(=O)[NH2+]CCC[NH2+]C(=O)C(=O)[NH2+]CCC[NH2+]C(=O)C(=O)O.[Cu+2].[Cu+2]"]
["162321576","CC(=O)O.CC(=O)O.CCCCCCCCCCCC(=O)OCC"]
["68938386","CCCCCCCCCCCCCCCCCC/C(=C\\C(=O)O)C(=O)O"]
["22971508","O=C(O)CC[Te]c1ccccc1"]
["MCULE-2075186343","N=C(O)COC(=O)c1ccncc1Cl"]
["78098983","CC=C(C(=O)O)C(C)CCCC"]
["55818715","CC(O)=N[C@@H](CS)C(=O)OS"]
["79043755","O=C(CCC/N=N/CCCC(=O)OCCO)OCCO"]
["4206171","O=C([NH2+]CCCC1CCCC1)C(O)=Nc1ccc(CCN2CCCC2)cc1"]
["172792571","CC(=CC(C)(C)CC(=O)O)C(=O)O"]
["185520524","CCCCC(C=C(C)C)(O[SiH3])C(=O)O"]
["174621947","O=C(O)CCCCCCCCCCC(=O)OCCCCCO"]
["25524524","[NH-][C+]([O-])c1c(I)c(I)c(C#[O+])c(I)c1I"]
["33253415","NS(=O)(=O)c1ccc(SSc2ccc(S(N)(=O)=O)cc2)cc1"]
["25901078","[NH-][C+]([O-])c1ccccc1C#[O+]"]
["171255125","O=C(SSC(=O)c1c(I)c(I)c(I)c(I)c1I)c1c(I)c(I)c(I)c(I)c1I"]
["171025427","CC(=O)c1ccc(C)c(C#N)c1I"]
["170959591","ICSc1ccc(Sc2ccc(SCI)c(I)c2I)c(I)c1I"]
["175368412","COS(=O)(=O)c1ccc(S(=O)(=O)[O-])cc1.[Rb+]"]
["158388656","COC(=O)c1ccc([N+](=O)[O-])c(C#N)c1I"]
["100195153","[N]=NNc1ccc(C(=O)N2CCN(OC#[O+])CC2)c(O)c1I"]
["74526184","[NH-][C+]([O-])C1CCC(C#[O+])C1"]
["65813182","Ic1cc(I)c(SSc2c(I)cc(I)c(I)c2I)c(I)c1I"]
["91455791","Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1C#[O+]"]
["195544037","C=NI=IC(/C(C)=C(/N)N1C(=[C-]C)I1N=C)I1C(C)C1C"]
["57304723","Cc1cc(C)c(C(N)=NO)c(N2C3CCC2CC(O)C3)n1"]
["111182159","CC1OC(C)C(C(O)=Nc2cc(Br)ccn2)C1C"]
["93518431","Cc1nnc(OCCC(C)(C)C)c(C(N)=NO)c1C"]
["184946258","C=C1CNCCN1C(C)=NC"]
["81988703","CC(C)C1CCCN1C1CCCC(=C(N)N=O)N1"]
["84203453","CC1(C)CC2CC(C)(CN2c2ccc(N)cn2)C1"]
["100401530","C=N/C(C)=C(/C(=C)N)C(O)=N[C@@H](C)c1nc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1C"]
["92242989","CC(C(O)=NC(C)(C)C)N1CCN[C@@H](C)C1"]
["184694964","C=C(C)C1=C(N)N(C)[C@@H](C)C(O)=N1.[HH]"]
["92792656","CC(Cl)C(O)=NC(=O)N1CC(C)N(C)C(C)C1"]
["173870442","C=NC(=NC(Cl)=NC)N1C(=O)OC[C@@H]1C(C)C"]
["175466031","OC=C1NC=CC1=[n+]1[cH-]ccc1=CO.[Al].[Al]"]
["198294955","C/C=C(/C(C)C)[N+](=N)C1=C2NC=C(c3ccc(C)s3)N2C=C(C(O)=NCc2cnc(C)nc2)C=C1"]
["101312288","COC1=CC(=CO)[C](Cl)C=C1"]
["153665812","Cc1ccnc(NC2=NCC3=C2CN(C(O)=N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1"]
["33576362","OC1=NCCCCN=C2C=C(C=CN2)c2ccnc(n2)Nc2ccc(Cl)c1c2"]
["42695824","OC1=Nc2ncccc2NC=C1"]
["175085606","N=c1ccc2c([nH]1)C=CC(N)(c1ccccn1)C2"]
["49334807","CCc1ccc(NCC2=C/C(=C(\\N)N=O)NC=C2)cc1"]
["178846761","OC=CC=Cc1nc2ccccc2c2ccccc12"]
["174637191","O=C1C=CNCC=C1N=CO"]
["42087141","C1=CS/C(=C\\c2ccccn2)N1"]
["53324365","N=C(O)CC1=CNC=CC=C1"]
["60487245","O=C1C(O)=C(Cl)C(=O)C(OC2=C(Cl)C(=O)C(OC3=C(Cl)C(=O)C(OC4=C(Cl)C(=O)C(Cl)=C(Cl)C4=O)=C(Cl)C3=O)=C(Cl)C2=O)=C1Cl"]
["81070555","COC(=O)C(=C1OC(=O)C(c2cccc(Cl)c2)=C1O)c1ccccc1"]
["149461940","COc1cc(C2/C(=C(\\O)c3ccccc3)C(=O)C(=O)N2c2ccccc2C)cc(Cl)c1O"]
["62575878","O=C1N=C(O)C2(OC(=O)C(=O)/C2=C(/O)c2ccccc2)C(O)=N1"]
["151832988","O=C1O[C@@H](O[C@@H]2OC(=O)C(Cl)=C2C(Cl)Cl)C(C(Cl)Cl)=C1Cl"]
["19968783","CC(=O)C(=C(C)[O-])C1=C(Cl)C(=O)c2ccccc2C1=O"]
["149284959","COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(Cl)c3)C2c2ccc(O)cc2)c1"]
["14872569","COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(OC)c1"]
["44501298","C=CC(=O)c1cccc(C(=O)O)c1O"]
["115240335","Cc1cccc(Oc2cc([N+](=O)[O-])cc(Cl)n2)c1[N+](=O)[O-]"]
["MCULE-9793361151","COC1=C(OC)C(=O)C(=C(O)C=Cc2ccccc2)C1=O"]
["193197579","O=C1C(=O)C(Br)=C(Br)C(Br)=C1Br.O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl"]
["172755463","C1=C[NH+](P(n2cccc2)n2cccc2)C=C1.F[P-](F)(F)(F)(F)F"]
["74430043","C(=CP(n1cccc1)n1cccc1)C1CCCCC1"]
["192413610","C1=C[NH2+]NCC1.F[P-](F)(F)(F)(F)F"]
["187075692","CN(C)[P+](N(C)C)(N(C)COO)n1nnc2ccccc21.F[P-](F)(F)(F)(F)F"]
["91359037","Cn1c(-c2ccc(F)cc2)cc(=S)c2ccccc21"]
["172370059","CN(C)[P+](On1cccc1)(N(C)C)N(C)C"]
["162312312","F[P-](F)(F)(F)(F)F.[NH3+]c1cccs1"]
["45179289","ClCn1cccc1"]
["174721655","CCCCCC[NH+]1C=CC=CC1.F[P-](F)(F)(F)(F)F"]
["194258836","CP(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.[Ir]"]
["45448696","c1cc(CP(n2cccc2)n2cccc2)c(-c2c(CP(n3cccc3)n3cccc3)cccc2CP(n2cccc2)n2cccc2)c(CP(n2cccc2)n2cccc2)c1"]
["57750247","N#Cc1ccn2cc(F)ccc12"]
["189096647","C[Si]1(C)[Si](C)(C)S(C)(C)#S(C)(CCI)[Si]1(C)C"]
["190750953","CCCCI.I"]
["187989657","CC(=N)S(=O)(=O)CCI"]
["173127460","CCCC(CCI)CCN(C)CCC"]
["78291090","CCCCI.[Al]"]
["177607515","C[Si]1(CCCI)OCCSCCO1"]
["180861052","ICCCC=[N+]1CC1"]
["190599820","Br.CCCI"]
["79965641","CC#N.FCCI"]
["162002187","CN1C(I)CC(CCI)S1(=O)=O"]
["171921256","CN1C=CN(CC(CN2C=CN(C)C2)N=C(O)CI)C1"]
["101714325","O=S(=O)(O)CCCI.[Na+]"]
["57902114","Cl.Cl.NCCS[Ge]12SCCN1CCS2"]
["185577807","C1CSNN(CCN2CCCSN2)C1"]
["64642138","NCCSP(=O)([O-])[O-]"]
["64590339","CN(C)S(=O)(=O)c1cccc2c1N(CCN)CC2"]
["88114095","Cc1nc2n(c1CCN)CCCS2"]
["57514835","CC(CC#N)N1CCSCC1"]
["MCULE-6374523257","CSCCC(N)C(O)=NCCCCN1CCCC1"]
["113854725","CSCCCN=c1[nH]nc(CCN)o1"]
["163929495","NCCN1CC2CCC(C1)N2CCN"]
["58886501","CN(CCN1CCCC1)C(CN)c1c(F)cccc1F"]
["86217916","CC1(C)CCC(CN)(N2CCCSCC2)C1"]
["111450456","CSCCCC(CN)N(C)CCN1CCCC1"]
["184767034","NOP(=O)(OCCSCCOC(F)CC(F)F)OCCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F"]
["78669630","COP(=O)(OC)OC(F)(F)C(F)(F)CC(F)(F)F"]
["100510350","COCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F"]
["91229049","CCCOP(=O)(CC(O)C(F)(F)F)OCCC"]
["26812207","CCCCCCCCCCCCSC(CCCCCCC)C(C)OOC(=O)P(=O)(OCCC)OCC(C)(C)C"]
["181769602","CC(C)OP(=O)([O-])OCC(F)(F)C(F)(F)C(F)(F)F"]
["113322418","CC(C)OCCOCC(O)CNCCSC(F)(F)F"]
["33302053","CC(C)(C)C(=O)OCOP(=O)(O)C(C(O)=N/C=C/c1cccc(N)c1)c1csc2ccc(Cl)cc12"]
["101389379","CC(COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)(COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)C(=O)O"]
["49111606","O=P(O)(O)OCCCCC(OP(=O)(O)O)C(F)(F)C(F)(F)C(F)(F)CF"]
["171018739","CCCCSCCOC(F)(F)C(F)C(F)(F)F"]
["172146414","CCCCOP(=O)(OCCCC)OCC(F)(F)C(F)(F)C(F)(F)F"]
["200515500","[CH]=CCCOON[NH-].[Sn+]"]
["26683093","[CH]=CCCCCC=CC"]
["149001067","[CH]=CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1"]
["64289306","C=CCCCC=C=CC(=O)OC"]
["32670477","CCCCCCC=C=CCC(C)(C(=O)OC)C(=O)OC"]
["98268797","[CH]=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC"]
["32353329","C=CCCC/C=C/C(=O)OC"]
["78427026","C/C=C(\\C=C/CCC#N)OCC"]
["167278844","COC(OOCCC=C(C)C)c1ccccc1"]
["62051397","NOCCC=CC(=O)O"]
["60782388","C#CC1=C(C=C=C=C(C)C)CC[C@@H]1SCC(=O)OC"]
["136862515","C=CCCCC(C)NC(O)=NCCOC(C)C"]
["167381176","O=S(=O)(C1=CC2C(C3C=CC2(S(=O)(=O)c2ccccc2)C3S(=O)(=O)c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1)c1ccccc1"]
["18491087","Cc1ccccc1N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1"]
["33559988","COc1ccc(CO[C@H]2C[C@@H](C[C@H](CC(=O)N(Cc3ccccc3)N=O)O[Si](C)(C)C(C)(C)C)O[C@H](S(=O)(=O)c3ccccc3)C2(C)C)cc1"]
["MCULE-6126579349","CNS(=O)(=O)c1ccc(CCN=c2ccc(-c3ccccc3)n[nH]2)cc1"]
["134687850","CC1(C)CCCCC1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1"]
["75613860","NC(=O)C(=S=O)c1ccccc1"]
["84155472","O=S(=O)(C1=CC2CCC(C1)O2)c1ccccc1"]
["183740782","O=C(O)CC(NCc1ccccc1)OS(=O)(=O)c1ccccc1"]
["53181547","COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl"]
["20134945","Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1"]
["121161357","C=CC(CC(O)=NC(C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1"]
["160751348","CC1(C)CCC(N=C(O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1"]
["164582641","C[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si+]2[Si]34C([Si](C)(C)C)([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si-]35=[Si]1[Si-]245C"]
["176266895","Cn1nccc1N1C(=O)C2(CC2)c2c(Cl)ccc(F)c21"]
["167276546","CC1=CC[Si]2([Te]C1)C([Si](C)(C)C)([Si](C)(C)C)CCC2([Si](C)(C)C)[Si](C)(C)C"]
["100961119","C[Si](C)(C)C1([Si](C)(C)C)CCC2([Si](C)(C)C)[Si](C)(C)[Si]34C([Si](C)(C)C)([Si](C)(C)C)CCC3([Si](C)(C)C)[Si](C)(C)[Si]124"]
["182641198","COC1(c2nc(C)nc(Br)c2OS(=O)(=O)O)CCOCC1"]
["94251821","COC1(c2noc(C3(CN)CCCC3)n2)CCCC1"]
["167276054","CC1=CC[Si]2([Se]C1)C([Si](C)(C)C)([Si](C)(C)C)CCC2([Si](C)(C)C)[Si](C)(C)C"]
["199348889","C[Si](C)(C)[Si]1=[Si-]C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C.Cc1ccccc1.[K+]"]
["52770133","C[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si]12SSSS2"]
["100884009","C[Si](C)(C)C1([Si](C)(C)C)CC[C@@]([Si](C)(C)C)([Si](C)(C)[Si](C)(C)[C@]2([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si]2(Br)Br)[Si]1(Br)Br"]
["199375106","C[N+](C)=c1ccn([Si@@]2(Cl)[Si](=[Si-]3(Cl)C([Si](C)(C)C)([Si](C)(C)C)CCC3([Si](C)(C)C)[Si](C)(C)C)[Si]23C([Si](C)(C)C)([Si](C)(C)C)CCC3([Si](C)(C)C)[Si](C)(C)C)cc1.c1ccccc1.c1ccccc1"]
["68059888","C[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si]12O[Si]1(O2)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C"]
["78792098","CN=NN=NNN=NC"]
["53629021","N=NN=NN=NN=NNN=NN=NN=NF"]
["183337085","CCOC(=O)CC(=O)CC(=O)CC(=O)COCN=[N+]=[N-]"]
["163553339","C/N=N\\N=N/CN"]
["27041248","CN=NNCCC(N)CCNN=NC"]
["173820179","CN=NNC(=N)N=NC1N(C)N=NN1C"]
["26618580","CN=NNCCCl"]
["145456035","C=N/C(=C\\CNN=NC)C(C)N=CN(C)CC"]
["MCULE-6473835300","CN=NNc1ccc(C(C)(C)C)cc1"]
["60815702","CN=NCC(C)C"]
["118440795","CCOCCNC(=NC)NCCc1nc(C(F)(F)F)cs1.I"]
["145367043","C=N/C(=C\\CNN=NC)C(C)/N=C\\N(C)CC"]
["171689370","[Si]#[Si]c1cc(=[Si]2CCC2)ccc1=[Si]1CCC1"]
["61726502","COc1[nH]c(=NC2CCCN=C2O)ccc1N"]
["151925979","Cc1cc([C@@]2(O)CCC[C@@H]2C)ccc1Br"]
["174262317","CCC1(c2ccc(OC)c(C)c2)CCCC1"]
["89516121","O=C(O)c1cc2c([nH]1)NCC2=O"]
["10446866","COc1ccc(C(O)=[NH+]C[C@H](C)N2CCCC2)cc1OC(F)F"]
["11802875","CCOP(=O)(C[NH+]1CCc2ccc(OC)cc2C1)OCC"]
["97200480","Cn1c(C2(O)CCC2)cc2ccccc21"]
["172759262","C#Cc1ccc([Si]#[Si-])c([Si]#[Si])c1[Si]#[Si+]"]
["112008496","CC1(CNCc2cccc(F)c2)CCC1"]
["85022218","COCc1c(Br)cccc1NC1=NCCCC1"]
["176135466","COc1ccc(Cl)c(C2=CCCC(C)=C2F)c1"]
["82813909","CC[N-][C+]1N=[S-](=O)[N-][C+]1[O-]"]
["148823725","CCS(=O)(=O)c1ccc(CC(=N)O)nc1"]
["172797623","CCNC(C)(C)O.Cc1cc[nH]c(=N)n1"]
["171364662","CCC1=NC(C)(C)[N+]([O-])=C1"]
["197548370","CCNS(=O)(=O)c1ccc(C(F)(F)F)nc1"]
["14595280","CC[C@H](C(=O)[O-])c1nnc(S)s1"]
["97311038","CCP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)(Cl)[N]1"]
["162674854","CCc1cnc(C(F)(F)F)cc1I"]
["184493334","CCCCC(=O)c1ccc(O)c(O)c1C"]
["15829861","CCN1C(=O)N=C([O-])[C@@]1(C#N)NOC"]
["177438434","C=C(C(=O)OCC)c1csc(Br)n1"]
["32223051","C=C(C(=O)CC)[Si](C)(C)C"]
["161960172","O=C1CCN(C(c2ccccc2)P2(=O)N(c3ccccc3)CC(C3CN(C(c4ccccc4)P4(=O)N(c5ccccc5)CCN4c4ccccc4)CCS3)N2c2ccccc2)CC1"]
["MCULE-5229690138","COc1cccc2c1C(=O)N(C(C(O)=Nc1ccc(F)c(Cl)c1)c1ccccc1)C2=O"]
["34696858","O=c1c2c3c(sc2nc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n1-c1ccccc1)Cc1ccccc1-3"]
["6739635","Cc1nn(C)c2sc(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)cc12"]
["67873614","CN1CC(NCC(C#N)c2ccccc2)CCC1=O"]
["17398931","O=C1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1c1ccccc1"]
["22380836","CC[C@@H](C(=O)N1CCC[NH+](C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1"]
["171450852","CN1[C@H](C2CCCCC2)CN(c2ccccc2)c2cc(OCc3csc(Cl)c3)c(-c3cc(F)c(C(=O)O)s3)cc2S1(=O)=O"]
["18734244","O=C(C1=c2ccccc2=[NH+]C1)[C@H](S[C@H]1N=NNN1c1ccccc1)c1ccccc1"]
["142030703","Cc1cc(C(O)=NC2CCN(C(=O)CC(C)c3ccccc3)CC2)c(C)o1"]
["138442709","C=CCn1c(C2CC2)nnc1S(=O)(=O)C(CC)c1ccccc1"]
["48348561","C[C@@H]1CC(C)(C)C[C@]2(C1)N=C(O)N(CC(O)=N[C@@H]1CCN([C@@H](C)c3ccccc3)C1)C2=O"]
["187900422","FP(CC(S)(S)CCS)P(F)CC(CCS)(CCS)CCS"]
["485054","COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(C(F)(F)F)c1)C2"]
["79001549","CC(F)(F)CCCCS"]
["61912957","CC(C)(C[18F])CCS"]
["MCULE-5435280961","Oc1ncc(C2CC2CCS)cc1C(F)(F)F"]
["97613932","CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS"]
["161827361","SCC(S)(S)OP(OC(S)(S)CS)OC(S)(S)CS"]
["183294866","CC(S)(CCCS)SCSCS"]
["199943938","[B]C([B])(CCCS)C(C)(C)F"]
["177174291","CO[Si](OC)(OC)C(S)(S)CCS"]
["199944066","[B]C(C)(F)C(C)(C)CCCS"]
["157162585","COC(C)(CCCCS)OC.CO[Si](CCCS)(OC)OC"]
["193871411","CC(C)(C)C1C(C(C)(C)C)S(=O)(=O)NC1(C(C)(C)C)C(C)(C)C.CC(C)C1C(C(C)(C)C)S(=O)(=O)NC(C(C)(C)C)(C(C)(C)C)C1(C(C)(C)C)C(C)(C)C"]
["MCULE-1198120764","Cc1c(C(C)C)nn2c(=O)cc(C3CCS(=O)(=O)CC3)[nH]c12"]
["175612169","CC(C)C1N(C(C)C)C(C)(C)C(C)(C)C(C)(C)S(=N)(=O)C1(C)C"]
["167278776","CC(C)C1C(C2C(=O)[C@@H]3CC[C@H]2C3(C)C)S1(=O)=O"]
["107513243","CC(C)[C@H]1[C@](C)(N)CCS1(=O)=O"]
["157188062","C[C@H](C(O)=NC(C)(C)C)N1CC[C@@H](C)S(=O)(=O)CC1"]
["42130451","CO[P+](=O)CC(O)C(C)(C)C"]
["150373472","CC(C)C(C)(C)C1CC(C)(C)C(C)(C)C(C)(C)C(C)C1(C)C(C)(C)C"]
["92273301","CC(C)C1NC(C2CCCC2)N(C(C)C(C)(C)C)C1=O"]
["171453341","CCCC(C1CCC(C)(C)CC1)C(C)(CC)OP(=O)(O)O"]
["81395842","CC(=O)N1C(C(C)C)COC(=O)C1(C)C(O)=NC(C)(C)C"]
["172749541","CC(C)(C)C1C(CO)C(C(C)(C)C)C1(C(=O)O)C(=O)O"]
["199355059","CC1CC2CC3NC(CC3C)CC3[N-]C(CC4NC(CC1[N-]2)C(C)C4CCC(=N)O)C(CCC(=N)O)C3C.[Co+2]"]
["175205415","COc1cc2c(cc1N=c1[nH]c(=Nc3cccnc3C(=N)O)c3cc[nH]c3[nH]1)C(CCC(=O)CN(C)C)CC2"]
["187390769","CCN(CCCC(=N)O)C(=O)OC(C)(C)C"]
["175692839","N=C(O)CC[C@H]1C(O)O[C@H](CN)[C@H](O)[C@@H]1O"]
["157088728","C[C@H]1[C@H](C)CCC[C@@H]1NC(O)=NC[C@@H]1CC[C@@H](C(=N)O)O1"]
["104781714","CC1CCC(OC[C@@H](O)CNCCCC(=N)O)CC1"]
["158000007","C[C@@H]1C[C@@H](O)CN(CC(=N)O)C1"]
["162361468","CC1C(=O)CCC1S(=O)CC(=N)O"]
["44811311","[3H]POC1C(COP([3H])OC2C(CO)CC(C)C2C)CC(C)C1C.[U].[Y]"]
["92981605","CC1CC(NOCC(=N)O)CC(C)O1"]
["187330878","Cc1cscc1N1CCN(c2ccc(-c3ccc(N4CCN(c5cccc(O)c5)C(CC(=N)O)C4)cc3)c(O)c2)C(CCC(=N)O)C1"]
["105172065","CN(CCC(=N)O)C1C[C@H]2CC[C@@H](C1)N2"]
["75809194","BrCC(Br)C(Br)C(Br)C1[CH+]CC(C(Br)C(Br)C(Br)CBr)[CH-]C1"]
["86182801","CCC(CC)N(CCBr)C(=O)CCC1CCCCC1"]
["163447581","CCC(N)C(Br)CC"]
["191603139","CC[P+](CC)(CC)CBr.[Br-]"]
["197442336","C=C(Cl)CC(CBr)C1CCCC1"]
["197482442","CCCC1CCC(C(C)(C)CBr)CC1"]
["120376185","CCCC1CCC(CBr)(OCC(CC)CC)CC1"]
["86178884","CC(Br)CN(C)CCC1CC1"]
["190711765","CCOC(Br)C(Br)C(OCC)OCC.CCOC(OCC)C(Br)C=O"]
["144671464","CC(C)N1CCCC(Cc2cc(Br)cnn2)C1"]
["114468089","Cc1cc(N2CCC(CNC(C)C)C2)cc(C)c1Br"]
["157050516","CC[C@@H](N)[C@@H](Br)CC"]
["171873851","[B]=B[B-](=[B+])B1B=BB=B1"]
["57557725","[B]=B[B-](=[B+])B1CC2(CCB2[B-]#B)B1[B-]([B+])=[B+]"]
["194425350","[B]=BB([B-]([B+])=[B+])C1([B-]([B+])=[B+])[B-](=C2C=C(C)C(C)=CN2C)C1C"]
["172049464","[B]=B[B-](=[B+])B=S"]
["174915273","N.[B].[B]=BN"]
["182673016","[N-]=[N+]=NB1B=BB=B1"]
["110606906","[B]1B2B=BB=BB=BB=B[C@]1(CC[C@@H]1CO1)[C@H]2CC[C@@H]1CO1"]
["57432140","[B]=B[B-](=[B+])CCCC"]
["49336416","[B]=B[B-](=[B+])C1(C)c2ccccc2-c2ccccc21"]
["196798991","[B]=B[B-](=[B+])c1cccc(C)c1C"]
["99763204","[B]=B[B-](=[B+])[B-](=[B+])OCCC"]
["57352452","[B]=B[B-](=[B+])c1cc(C)c(N)cc1S"]
["172715473","C=C=C1CC2C=CC1C2C=CC(=CC1C2C=CC1C(=C=C)C2)[SiH2]Cl"]
["70098926","Cc1c(N2CC3C4C=CC(C4)C3S2(=O)=O)ccc(C#N)c1Cl"]
["172826401","CC=C1CC2CC1C1C3C=CC(C3)C21CC"]
["184615768","C/C=C(\\C=C/CSC1=CCC(N=C=O)C=C1)N=C=O"]
["172718450","CCCC(C)CCCN1C(=O)C2C3C=CC(C3)C2C1=O"]
["99290685","COC1=C(OC)CC(C=C(C#N)C(=N)O)C=C1"]
["174328556","CC(O)=NC1CN(c2ccc(I)cc2)C(C)(C=O)O1"]
["109148962","C[C@@H]1[C@@H](/C=C(\\C#N)c2cccc(Cl)c2)[C@@H]2C=C[C@@H]1C2"]
["161885822","C=CC(=O)c1ccc(N2C(=O)CC2Cl)cc1"]
["63332796","CC(C)=CC1[C@@H]2C=C[C@@H](CC2)S1=O"]
["143718657","Cc1nn(C)c(Cl)c1C=CC(O)=NC1CC(=O)N(c2c(F)cccc2F)C1"]
["127651187","C=CCCCOC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1"]
["177479828","CCCN(C)c1c(NC(C)(C)CCNc2c(NC(C)(C)CCN(C)c3c(N(CC)CC)c(=S)c3=S)c(=S)c2=S)c(=S)c1=S"]
["177479893","CCN(C)c1c(NCCCCC(C)(C)C)c(=S)c1=O"]
["115218722","CC(O)CN(C)c1c(Cl)cccc1CNC(C)(C)C"]
["120979775","CCc1cccc(C)c1N(C)CCC(C)(C)N"]
["MCULE-5521708096","CCCCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2cccc(Cl)c2Cl)C1=O"]
["93173354","C#CCN(CC)c1cc(CNCCC)cc(C(C)(C)C)n1"]
["115188022","CCCCN(C)c1ccc(CNC)c(Cl)c1"]
["170689010","CCN(C)CCOCCN(C)c1c(C(C)C)c(=S)c1=S"]
["106068394","CCN(CC(F)(F)F)c1ccc([C@H](C)NC)cc1Cl"]
["93490755","CCCn1ccc(CNCCC(C)(C)C)c1"]
["95558421","CCn1ncc(Cl)c1C(C)(O)CCNC"]
["54828025","CC(C)(CCNc1c(Cl)cc(Cl)cc1Cl)C(=N)NO"]
["101048203","[CH2]COP([S-])(OCC)=[N+]1[C-]=CC=C1.[Li+]"]
["185209301","CCOP(=O)(OCC)C(C)(C(=O)O)C(C)(C)C"]
["91043976","CCOP(=O)(C=CC1C=CC=CC1=O)N1CCCCC1"]
["166683887","CCOP(=O)(OCC)N(C)CCI"]
["175125957","[CH2]COC.[Pb]"]
["172731944","C=C(CN=C(O)N=[n+]1cnc(=CO)cc1C)C(=O)OCC"]
["101674234","C/C=C(\\CC)P(=O)(OCC)OCC"]
["91446844","CCOC(=O)C(NCP(=O)(OCC)OCC)C(=O)OCC"]
["185496115","CCOP(=O)(CCOC(=O)c1ccc(C(=O)OCCP(=O)(OCC)OCC)cc1)OCC"]
["167420105","CCOP(=O)(OCC)OC/C=C/[Si](C)(C)C(C)(C)C"]
["173084411","CCC=C1[C-]=CC=C[CH-]1.C[CH-]C.[K+]"]
["1073909","CCCSP(=O)(OCC)SCCC"]
["195731931","CC(C(C)N(C)C[C-]1[CH-][I]1)[C@@H]1C(C)N1C12[I]C1C2C"]
["67351128","CC1CCCC(CN)N1C1CCOC1=O"]
["196493388","CC(C)N1CC(N(C)C)C1C"]
["166544458","CCC(C)N1CCC(NC(C)C(F)(F)F)CC1"]
["112474452","CCC(C)N(C)C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1"]
["5360193","CCC[C@H]1SC[C@H](C(=O)OCC(C)C)N1C(=O)N(C)C"]
["116828160","CC(CC(O)c1ccc(F)cc1)NC1CCN(C2CCCCC2)CC1"]
["88746064","CCC(C)N1NC(=N)CC1C"]
["86985398","CC(C)C(O)CN1CC(C)C(N(C)C)C1"]
["122234254","CC(C1CC1)N(C(=O)CN1C(=O)SC(C)(C)C1=O)C1CC1"]
["150326621","CC(C)CC(C)(C)C1C(C)C12CCC2C"]
["138596325","CC(N(C)CC(O)C(F)(F)F)C1(C)CC1"]
["91511616","S=C1[Se]C2=C[Se][CH]C2[Se]1"]
["23203209","CCN(CC)C(=S)SCc1ccc(CSC(=S)N(CC)CC)cc1"]
["91338592","FC(F)(F)[C]1[Se]C(=S)[Se]C1C(F)(F)F"]
["118258003","CCc1ccccc1CN=C(O)NC1CCCC1(C)CO"]
["174252351","CC.CCC1C(=S)SC(=S)N1C"]
["178011815","CCOC(=O)c1ccc(NC2N=NC(=S)S2)cc1"]
["173148316","CCC1C=CC=C(P(NP(C2=CC=CC(CC)C2=S)C2=CC=CC(CC)C2=S)C2=CC=CC(CC)C2=S)C1=S"]
["173057309","CC1=CC2=CC=CC2[Se]1"]
["185803875","COC1=C(C)C(C)CC=C1"]
["75148115","CC[N+]1(C)C(c2ncccn2)=NC(=S)C1[N+](=O)[O-]"]
["192946655","CC1NC2CCCC=C2[Se]1"]
["89225397","O=S(=O)(CCC1CNCCO1)c1ccc[nH]1"]
["97639967","CCC1=C(C)/C(=C/c2[nH]c(CC3=N/C(=C\\c4ccc(C5=N/C(=C/c6[nH]c(CC7=N/C(=C\\c8[nH]c(CC9=N/C(=C/c%10[nH]c(C)c(C)c%10C)C=C9)c(CC)c8C)C(CC)=C7C)c(C)c6C)C=C5)[nH]4)C(C)=C3C)c(C)c2CC)N=C1Cc1ccc(/C=C2\\N=C(C)C(C)=C2C)[nH]1"]
["76687911","CC1=C(C)C(c2ccc(C)[nH]2)=NC1=Cc1[nH]c(C)c(C)c1C"]
["153695807","CCC1=CC(O)=N[C@@H]1Cc1[nH]c(/C=C2\\N=C(C[C@@H]3N=C(O)C(CC)=C3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C"]
["44910250","CCC1=C(C)C(O)=N/C1=C\\c1[nH]c(C)c(C(C)CC([O-])=NCCS(=O)(=O)O)c1C"]
["79628598","CCCOc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCCCCCCCCCCCCO)=N1"]
["33042558","CCC1=C(C)C(O)=N/C1=C/c1[nH]c(C)c(CC(OC)C(=O)OC)c1C"]
["195701096","CCc1c(Cc2[nH]c(C=N)c(C)c2CCCO)[nH]c(Cc2[nH]c(C=Nc3ccc(OC)cc3C)c(C)c2CCCO)c1CC"]
["151858473","CCCCC1=C(Cc2[nH]c(/C=C3/N=CC(C)=C3C)c(C)c2CCCC)N=C(/C=C2\\N=CC(C)=C2C)[C@@H]1C"]
["102956631","CCCC1=CC(C2=NC(=Cc3[nH]c(C)c(CC)c3CC)C(CCC)=C2)=NC1=Cc1[nH]c(C)c(CC)c1CC"]
["45475192","Br.CCC1=C(C)C(C)=N/C1=C\\c1[nH]c(C)c(CC)c1C"]
["46399622","CCCCCCCCCCCc1ccc(C=C2N=C(c3ccc(C)[nH]3)C(C(=O)O)=C2OCC)[nH]1"]
["62890336","CCCCc1c(Cc2[nH]c(C=C3N=CC(C)=C3C)c(C)c2CCCC)[nH]c(C=C2N=CC(C)=C2C)c1C"]
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["183626545","CC1(O)C(Cl)=CN=C(N=[N+]=[N-])C1Cl"]
["182954257","Cc1cccc(Oc2ccc(N=[N+]=[N-])s2)c1"]
["182693684","[N-]=[N+]=NOc1oc2ccccc2c1Oc1ccsn1"]
["17726867","COCCCN=C(O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1"]
["182627058","[N-]=[N+]=Nc1nc(Oc2cccc(Cl)c2Cl)co1"]
["181178209","Cc1cccc(C)c1Oc1coc(N=[N+]=[N-])n1"]
["183985230","COCOc1cccc(Oc2nc(Cl)cc(N=[N+]=[N-])n2)c1"]
["181563860","[N-]=[N+]=NC1=NC2=CC=COC2S1"]
["181789709","Cc1cccc(C)c1Oc1cccc(N=[N+]=[N-])n1"]
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["160788715","FC1(F)CC(c2noc(C3(F)CCCC3)n2)C1"]
["168103822","Cc1nc(C)c(C(=O)N2CCC(F)(c3nc(C4CCOCC4)no3)C2)s1"]
["194495487","CC1(c2nc(C34CCC(C(N=C(O)C56CC(C5)C6)c5cccc(-c6nc(C7CC7)no6)c5)(CC3)C(F)C4)no2)CC1"]
["172880529","O=C(c1ccc2ncsc2c1)N1CCC(F)(c2nc(C3CC3)no2)C1"]
["161072522","CC1(c2nc(C3CC(F)(F)C3)no2)CC1F"]
["179256289","C=I12C=CC=[N+]1[C@]1(c3cccn3Cc3cccc4[n+]3Cc3cccn3C4)c3cccn3Cc3cccc([n+]31)C2"]
["51049546","CN1CCCC2(CCN(Cc3cccn3-c3ccc(Cl)cn3)C2)C1=O"]
["182185721","COc1c(B2OC(C)(C)C(C)(C)O2)cc(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21"]
["MCULE-4661589814","Cc1nc(C(=O)N2CCC3(CCN(Cc4cnc5ccccn45)CCCOc4ccccc4C(O)=NC3)CC2)co1"]
["163415887","O=S(=O)(C1CC1)N1Cc2cccn2CC(Oc2ncccc2F)C1"]
["151737077","OC(=NC1CC(F)(F)C1)[C@H]1CN(Cc2ccsc2)Cc2cccn2C1"]
["MCULE-8432057886","CN=C(O)c1cccc(-c2cccnc2N=C(O)Cc2ccc3c(c2)CCO3)c1"]
["154589772","Cc1ccc(CN2Cc3cccn3C[C@H](CC(O)=NCC3CC3)C2)o1"]
["95900749","CCOC(=O)c1cccn1Cc1ncon1"]
["170112876","C=Cc1ccc2c(c1)C1(CCN(Cc3cnn(-c4ccccc4)c3)CC1)OC2"]
["150469828","COc1cccc(CC(O)=NCC2Cn3cccc3CN2C)c1"]
["16629077","Cc1cccc(Cn2nc3c(S(=O)(=O)N4CCc5ccccc5C4)cccn3c2=O)c1"]
["173038946","CC1CCCC(OC(C2CCCC(C)C2O)C2(C(OC3CCCC(C)(C)C3O)C3CCCC(C)(C)C3O)C(O)CCCCC2C(OC2CCCCC2O)C2CCCCC2O)C1O"]
["114074504","COc1ccc(C(O)C2CCCC2(C)C)c2ccccc12"]
["157231917","Cc1csc([C@@H]2COCCN2C(O)=NCCO[C@@H]2CCCC[C@H]2C)n1"]
["62618695","CCC1COC(C)CN1C1CCCCCC1O"]
["128239445","CC1(C)C(N=C(O)C2CCCc3n[nH]cc32)C2CCOC21"]
["51570505","COc1ccc2[nH]c(C(=O)NCC(C)C)nc(=N[C@H]3CCCC[C@H]3NC(C)=N)c2c1"]
["113478533","Cc1cccc(S(=O)(=O)C2CCCC(C)(C)C2O)c1"]
["114074541","COCCc1ccc(C(O)C2CCCC2(C)C)cc1"]
["114076494","CC1(C)CCCCC1C(O)Cc1c(F)cccc1F"]
["137273990","COCc1nc2n(n1)CC(NC(O)=NCCOC1CCCCC1C)CC2"]
["9940461","COC(=O)c1ccc([N+](=O)[O-])c(OCC(O)=NCCO[C@H]2CCCC[C@H]2C)c1"]
["114075014","Cc1cc(C)c(C(Cl)C2CCCC2C)c(C)c1"]
["168334701","CC1=N[N+](=C2N=C=NC(n3nc(C)c(N=Nc4nnc(C)s4)c3N)=N2)[C-](N)C1=N[N-]c1nnc(C)s1.[Y]"]
["MCULE-1033080440","Cc1nnc(N=C(O)c2ccc(F)c(F)c2-c2cccn2C)s1"]
["MCULE-6232855277","COc1ccc(NCc2cc(=O)c(OCC(O)=Nc3nnc(C)s3)cn2CC2CCCO2)cc1OC"]
["MCULE-4596414213","Cc1nnc(N=C(O)Cc2cccc(F)c2-c2cn(C)nc2C)s1"]
["76144129","CCN(C1CCCCC1)S(=O)(=O)c1ccccc1/N=N/c1c(C)nn(-c2ccccc2)c1N"]
["133477436","COc1cccc(C2C(C(O)=Nc3nnc(C)s3)CC(=O)N2C2CC2)c1"]
["MCULE-2187854894","COc1ccc(-c2ccc(F)cc2)cc1CC(O)=Nc1nnc(C)s1"]
["92779592","Cc1nnc(N=C(O)C2(N)CCOCC2)s1"]
["64773195","Cc1nnc(N=C(O)CCn2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)s1"]
["15188932","Cc1nnc(N=C(O)[C@@H](C)Oc2ccc(F)cc2)s1"]
["11381117","Cc1nnc(N=C(O)COc2ccc(F)cc2)s1"]
["MCULE-7008775365","COCc1ccc(-c2ccc(CC(O)=Nc3nnc(C)s3)cc2)cc1"]
["179282313","CCC1(C)C2(C)C3(C)C4(C)C5C6C7C8C9%10C%11(C)C%12%13CC%14(C)C%15(C)C%16(C)C%17(C)[C@H]%18CCC%19C%20C(C)C%21C%22CC%23C(C%18)C%18(C)C%24(C)C%25(C)C%22(C)C%21(C%25%21C5C4(C)C4(C)C%18(C)C%235C%24(C)C4%21C64C79C2(C1%12%10)C354)[C@]%201C%19(C)C2(C)C3C45C2%16C(C)(C)C%17(C)C%154C%14%13C%115C831"]
["180010930","CC1C2C3C4C5C6CC7C8C9C%10CC%11C%10C9%10C9C%12(C%11C)C%11%13CC%14(C)C(C)(C)C%15(C)C%16(C)C6(C)C5(C45C34C23C17C8%10C93C%124C%16%115)C%14%15%13"]
["180289967","CC12C3CC4C5CC6C7C8C9C%10C%11CC%12C%13C%14C%15C%16C%17CC3C13C1(C)C%18(C)C%19(C)C%17(C)C%16%17C%15%16C%14%15C%13%14C%12%11C9%11C79C87C56C45C4(C)C6(C)C2(C)C12C%18%17C18C%19%16C%15%12C%10%14C%11%10C9%11C57C45C63C21C5%11C%12%108"]
["178756940","CC1C23CC45C(C)C6=C7CCCC2CC42C34C1(C)C1(C)C3(C)CC8(C)C9(C)C(C)(C)C7%10C65C25C9%10C83C145"]
["44856891","CCCC1C2CC34C5C67C(C8C9CCC9C86C)C6C8C9C%10C%11C%12C%13CC%14C%15C%16C%17C%18C%19C%20CC%21C%22CCCCCCC%12(C%14%13C%15C%16C%17C%18C%19C%21%20)C%11%12CCCCCCC%22C%11C%13C%14C%15C(C)C1%16C1C2%17C3C23C4%18C54C67C85C96C%10%12C7C8C9C%10C%12C%11C%13%11C%14%13C%15%16C1%14C%172C12C%10(C%12%11C%13%141)C91C89C76C54C9%18C132"]
["180505480","CC1C2C3C4C5CC6C7C(C)C48C34C23C1(C)C1(C)C(C)(C)C2(C)C9(C)C%10(C)C6(C)C57C8%10C94C123"]
["151436997","CO[C@H]1C[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@@H](C)[C@H]1O"]
["47498900","CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC3OC(C)(C)OC3C(C)O2)C(C)O1"]
["184824396","C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3O)O[C@@H]2C)C[C@H](O)[C@@H]1O"]
["97745884","CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@@H]1O"]
["180361561","CC12C3CC4CC5C6C7CC8C9C%10CC%11C%12C3C13C%121C%10%11C%10(C)C9%11C8(C)C78C79C5%11C%101C37C2(C)C9(C)[C@]468"]
["178681785","CC12CC34C1(C)C1C5CC6CC7C8C9CC%10C%11CC1C63C5%11C4(C)C1(C)CC34C2(C)C7(C)C83C%109C14C"]
["78726332","CC(C)([C+]1[N-]CC[NH2+]1)C1CC2CC3CC4CC5CC6CC7CC8CC9CC(C(C)(C)C%10[N-]CCN%10)CC%10CC%11CC%12(C(C)(C)[C+]%13[N-]CC[NH2+]%13)CCC%13CC%14CC%15CC%16CC%17CC%18CC%19CC%20CCC(C(C)(C)C%21[N-]CCN%21)C%21CC%22CC1C1C2C2C3C3C4C4C5C5C6C6C7C7C8C(C9%10)C%11C8C7C7C6C6C(C%15C9C%16C%10C%17C%11C%18C%15C%19C(C%20%21)C%22C1C%15C2C%11C3C%10C4C9C56)C%14C7C%13C8%12"]
["149994654","CCCCCCCCCCCCOC(=O)C(C)(C(=O)OCCCCCCCCCCCC)C12CCC3CC4CC5C=CC67CC8CC9=CC%10CC%11CCC1C1C%11C%11C%10C%10C%12C%13C%11C1C1C%11C%13C%13C(C4C%11C3C12)C5C6C%13C%12C1(C9%10)C(C(=O)OCC(=O)O)(C(=O)OCC(=O)O)C871"]
["98681971","CCC(C)(C)C(=O)OC1CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OCCO"]
["50885417","CCC(C1C2CC(CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F)C(C2)C1C1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C)S(=O)(=O)OC1(C)CC2CCC1C2"]
["97970219","CC(CC1CC2CC1C1C3CCC(C3)C21)(S(=O)O)C(F)(F)F"]
["178527074","C1CC2CC3CC4CC5CC6CCC7CCC8C9CCC%10C%11CCCC%12CC%13CC%14CC%15CC%16CCC%17CCC%18C%19CCC%20C(C1)C2C1C3C2C4C3C5C4C6C7C8C5C6C9C%10C7C(C%12%11)C%13C8C%14C9C%15C%10C%16C%17C%18C%11C%12C%19C%20C1C1C2C2C3C(C45)C3C6C7C8C4C9C(C%10%11)C(C%121)C2C43"]
["185819094","CS(=O)(=O)C(C1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F"]
["98491487","CCC(C)(F)COC1CC2CC1C1C3CCC(C3)C21"]
["149975352","CC.CCOCN1CC2C3=C4C5C6=C(C3)CC3CC7CC8CC9CC%10CC%11CC2(C2C4C4C5C5C(C63)C7C3C8C9C6C%10C(C4C6C35)C%112)C1c1ccccc1"]
["195453283","CN([O-])CCCC12CCC3CCC4CC5CCC6CCC7CCC8CC(CC1)C1C9C8C7C6C5C9C4C3C12"]
["148567825","CC1C2CC(C(=O)OC(C)(C)C3CC4CC3C3C5CCC(C5)C43)C(C2)C1C"]
["180843581","CCC1(OCC(=O)CC(C)(O)C2CC3CC2C2C4CCC(C4)C32)CCCC1"]
["178963479","NC1NNOS(O)(O)O[I-]NO1"]
["162504165","N#CC[C@H](N)c1cc(O)c[nH]1"]
["75338046","OS1(O)NCC2C[C]21"]
["178910849","NOC1CNO1"]
["175393198","NC1NO1.[Cu]"]
["184998962","NC1COCN1"]
["173616649","N=C1NC2COC[C@@H]2CS1"]
["159206148","N[C@H]1CCOC[C@H]1Cl"]
["156326760","CNC1COCC1Cl"]
["184893274","CC.NC1COCC1O"]
["187958590","CC(=O)C1NNC(C)C1C(C)N"]
["163201263","CC(N)C1N=C(O)NC1Br"]
["178226035","[NH3+]C12CCC3(C(=O)CCCC1=O)C(=[N+]3CCCCCN=C=S)CCCCC2=O"]
["102901599","CC1=CC(=O)CCC1(C)CC1=[C]CCC1"]
["172144124","CB(O)/N=C(\\N(CCCCCCCCN=C(N[B]C=O)NB(C)O)B(C)O)N(Cc1ccc(C2=NCCCN2B(C)O)cc1)B(C)O"]
["MCULE-8004152160","NCCCCCN=C(O)c1c[nH]c2c(ccc3cccnc32)c1=O"]
["25819240","C#CCC12CCC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]
["15332682","CC(O)=N/C(=C/c1ccccc1)C(O)=NCCCN1C(=O)C2(CCCC2)N=C1O"]
["179642068","[CH2+]CCCC1(C)CCCC1=O"]
["67308434","Cc1nccn1CCCN=C=S"]
["167379150","Cc1cccc(C[C@]2(C)CCCC2=O)c1"]
["185584243","C[C@]12CCCCC1=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C[O-])CC[C@@H]12"]
["58301861","CC(=O)C#CCCC1(C)CCCCC1=O"]
["188873266","O=C(NCCCCCCN=C=S)c1ccc(C(c2cccc(C(=O)O)n2)N2CCOCCOCCN(Cc3cccc(C(=O)O)n3)CCOCCOCC2)cc1"]
["74946272","PNc1ccc(/C=C/C=C/c2ccc(N(P)P)cc2)cc1"]
["180206882","Fc1ccc(C(=CN(c2ccccc2)c2ccc(/C=C\\c3ccccc3Br)cc2)c2ccc(F)cc2)cc1"]
["70393882","CCCCOC=Cc1ccc(N(C)C)cc1"]
["126723738","CC(C)NS(=O)(=O)c1ccc(C=CC(=O)N(C)C(C)CS(C)=O)cc1"]
["93152041","C=CC(C)Nc1ccc(S(=O)(=O)NC(C)C)cc1"]
["103994740","CCN(CC)C[C@@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1"]
["77872643","O=C1N=C([O-])C(=CC=Cc2ccccc2)C(O)=N1"]
["104435237","O=C1/C(=C/C=C\\c2ccccc2)C(O)=NN1c1ccc(I)cc1"]
["171316128","CN(C)c1ccc(C=Cc2ccc(N=CO)cc2N=CO)cc1"]
["80134027","CCCCCCN=C(O)C=Cc1ccc(NS(C)(=O)=O)cc1"]
["64401760","CCN(CC)c1ccc(/C=C/C(=O)C2C(=O)c3ccccc3C2=O)cc1"]
["67764326","CC=Cc1cc(OC)c(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1OCCCCCCCCCC"]
["32108767","Cc1nc(CN(Cc2nc(/C=[N+](/[O-])C(C)(C)C)c(C)nc2C)C(C)(C)C)c(/C=[N+](/[O-])C(C)(C)C)nc1/C=[N+](\\[O-])C(C)(C)C"]
["169914192","Cc1nc(C(C)(C)C)c(C)c(C)c1CN(C)C1CC(C)(C)C1"]
["138514021","Cc1csc(CN(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1"]
["100998","CC(C)(C)/[N+]([O-])=C/c1cnc(-c2ccsc2)[nH]1"]
["163232582","Cc1nc([C@@H](N)C(C)(C)C)ccc1[N+](=O)[O-]"]
["33286645","CC(C)(C)/[N+]([O-])=C/c1ncc(C(O)=NC(CS)C(=O)O)cn1"]
["128688794","Cc1cc(C)n2nc(C(=O)N(Cc3cccnc3)C(C)(C)C)nc2n1"]
["122878973","CC(C)(C)N(Cc1ccon1)Cc1ccccc1Br"]
["178477379","CCN(CC)/[N+]([O-])=N\\OCOC(=O)C(C)(C)I"]
["42785950","Cc1nn(CC(O)CNC(C)(C)CO)c(C)c1[N+](=O)[O-]"]
["56520833","CCN(Cc1ccc([N+](=O)[O-])cc1Br)C(C)(C)C(=O)O"]
["52475983","CC(C)(C)[N+]([O-])=Cc1c(C(=O)O)cccc1C(=O)O"]
["69656972","Cc1c(C)c(C)n(N=C2CCCC=C2Nn2c(C)c(C)c(C)c2C)c1C"]
["34332970","CC1=[N+]2CCCCc3cccc(c32)C1(C)C.[O-][Cl+3]([O-])([O-])[O-]"]
["148399778","CC(C)(CNC(O)=NCCC(=O)O)C1=CCCC1"]
["53388688","CC1=C(C2=CCCCC2)S(=O)SC1"]
["84000954","COC(=O)C(N)C1=CCCCC1"]
["27044366","C=CC(C)(C)C1=CCCC1"]
["157952394","C#C[C@@H](C)N=C(O)C1=CCCCC1"]
["57321350","CC(O)=Nc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1"]
["53814180","Cc1c(C(=O)N2CCCC2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2"]
["197959911","CC(C)(C)c1cccc(NC(O)=Nc2cnn3c2NCCC3)n1"]
["120843620","CNCc1nc(C)cc(C2CCCN(C)C2)n1"]
["34548312","CC(C)=CCC1=CCCC/C1=N\\N1C(=O)OC[C@H]1Cc1ccccc1"]
["181055743","[N-]=[N+]=NN(NC1CCCCC1)N(NC1CCCCC1)C1(NC2CCCC2)CCCC(OC2CCCC2)(OC2CC2)C1(NC1CC1)OC1CCCCC1"]
["116324204","CN(C)C(=O)CN=C(NC1CCCCC1)NC1C2CCOC2C12CCC2.I"]
["64561445","OC(CCNC1CC1)=NCCOC1CCCCC1"]
["116461075","CN=C(NCCCCCOC1CCCCC1)NCCn1cccc1"]
["116794583","COCCC1(CNC(=NCc2nnc(C)n2C)NC2CCCC2)CCC1.I"]
["118150504","CN=C(NCCCOC1CCCCC1)NCC(O)=Nc1ccc(F)c(F)c1F"]
["86679106","CCC1CCC(NC2(C(=O)O)CCC2)CC1"]
["23492246","C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(O)=NCCCC[C@H](N=[N+]=[N-])C(=O)O"]
["183293363","CCCCOC1(N=[N+]=[N-])CCCC1(OCC)OCCC"]
["182336790","[N-]=[N+]=Nc1ccc(-c2cnc(CNC3CCCCC3)[nH]2)cc1"]
["171835808","CCCOC(=O)CN(C)C(=N)NP(=O)(OCCCCOC(=O)OC1CCCCC1)OCCCCOC(=O)OC1CCCCC1"]
["160704290","CC(COC1CCCC1)CS(=O)(=O)NC1CCCOC1"]
["99784266","Oc1nnc(C2=[O+]C(=[As-])N=N2)o1"]
["188003510","C[C@H](Nc1cc(-c2nnc(O)o2)cc(F)c1Cl)C1CCC(N)CC1"]
["169200588","Cc1cccc(OCc2ccc(-c3nnc(O)o3)o2)c1C"]
["169201321","C=CCn1c(COc2ccccc2)nnc1SCc1nnc(O)o1"]
["177438967","CCNn1cc(-c2nnc(O)o2)nn1"]
["145574753","N#Cc1cc(C(F)F)c(Cl)nc1C(=O)Cl"]
["58478720","C/C=C/c1nnc(-c2ccc(-c3ccccc3)cc2)o1"]
["67142608","O=C(CC1CCCCC1)N1CCN(Cc2nnc(-c3ccc(Br)cc3)o2)CC1"]
["58057690","Cc1ccc(-c2nnc(O)o2)c(C)c1"]
["168360843","N[C@H](c1nnc(-c2cccc(O)c2O)o1)C1CCCC1"]
["158476662","CC(C)(O)CCN1CCC[C@@H](c2nnc(O)o2)C1"]
["200016834","Nc1cc(OC2CCC(F)(F)CC2)cc(-c2nnc(O)o2)c1"]
["79180026","CCC(CC)CCC(B1NBNBN1)C(C)C(CC)CC"]
["49506192","CCCCC(CC)CC(N)C1CCC(C)C1"]
["149680256","C#CC=CC(C)CCCC"]
["65031648","CCCCC(CC)CC1(CNC(C)(C)C)CC1"]
["185490059","CCC=COP(=S)(OCC(CC)CCCC)SCC(CC)CCCC"]
["185791378","CCCCC(COS(=O)(=O)[O-])C(C)C"]
["68609549","C=C1C(=O)N(CC(CC)CCCC)C(=O)C(C#N)=C1C"]
["78168399","CCCCC(CC)COOC(C)CCC(C)OOCC(CC)CCCC"]
["171542629","CCC(CO)C(C)NO"]
["150132348","CCC(C)=C(C)CCC(C)CC"]
["56894132","CCCCC(CC)C(O)CCC(C)O"]
["178185203","CCC(C)C(=S)C1C=C1N"]
["179837855","[CH-]=C=IC1C[C-]2C[C@@H](C)C3NC([I+]C)C(NC)CC3C[C-]2CC1NC"]
["175019695","CC.CCCC(CCNC)C1=CC(C)CN1"]
["112737165","CNC1CCN(C2CC(OC)C2)CC1C"]
["49021834","CC1CC1NC1CC(c2ccccc2Cl)C1"]
["162827036","CC1CC(N[C@@H]2C[C@H]2C)CN1C"]
["86927827","CNC1CC(c2cccc(C#N)c2)C1C"]
["95443433","CNC1CC(C)CC(C)C1OCCOC(C)(C)C"]
["173823830","CNC1C[C@@H]1NS"]
["173461458","CNC1CC1c1ccccc1.CS"]
["85330494","CNC1CCC(Cc2nc(-c3ccccc3)cs2)C1C"]
["177942746","CNC1CCCCCC(C)CCCCC1C"]
["55678006","CNC1CCC(S(=O)c2ccc(C)cc2C)C1C"]
["76239686","[1CH3][1c]1[1cH][1c]([1OH])[1c]([1CH]=[1O])[1c]([1O][1c]2[1c]([1OH])[1c]([1CH3])[1c]3[1c]([1c]2[1OH])[1C](=[1O])[1O][1CH2]3)[1cH]1"]
["76239691","[1CH3][1O][1CH2][1CH2][1O][1CH2][1O][1c]1[1cH][1c]([1O][1CH2][1O][1CH2][1CH2][1O][1CH3])[1c]([1CH]=[1O])[1cH][1c]1Br"]
["76239802","[1CH3][1O][1C](=[1O])[1c]1[1n][1c]([1CH3])[1cH][1c]2[1c]1[1CH2][1O][1c]1[1c]([1CH3])[1cH][1cH][1cH][1c]1-2"]
["76239685","[1CH3][1O][1c]1[1cH][1c]([1O][1CH3])[1cH][1c]([1C](=[1O])/[1CH]=[1CH]/[1C]2=[1CH][1c]3[1cH][1c]([1O][1CH3])[1cH][1cH][1c]3[1O][1CH2]2)[1cH]1"]
["76239807","[1CH3][1O][1c]1[1c]([1OH])[1cH][1c]2[1c]3[1c]1-[1c]1[1cH][1c]([1O][1CH3])[1c]4[1o][1c](=[1O])[1c](-[1c]5[1cH][1cH][1cH][1cH][1cH]5)[1n][1c]4[1c]1[1CH2][1CH]3[1N]([1CH3])[1CH2][1CH2]2"]
["76239808","[1CH3][1O][1c]1[1cH][1cH][1c]2[1c]([1cH]1)[1CH]=[1C](/[1CH]=[1CH]/[1C](=[1O])[1c]1[1cH][1cH][1cH][1cH][1c]1[1O][1CH3])[1CH2][1O]2"]
["76240011","[1CH3][1C](=[1O])[1O][1c]1[1c]([1CH3])[1c]([1CH3])[1c]2[1c]([1c]1[1CH2][1N+](=[1O])[1O-])[1CH2][1CH2][1C]([1CH3])([1CH3])[1O]2"]
["76240006","[1CH3][1O][1c]1[1cH][1cH][1c](-[1c]2[1cH][1c](=[1O])[1c]3[1c]([1O][1CH3])[1c]([1O][1CH3])[1c]([1O][1CH3])[1cH][1c]3[1o]2)[1cH][1c]1[1O][1CH3]"]
["76239999","[1CH3][1O][1C]1=[1C]([1CH3])[1C](=[1O])[1C]([1CH3])([1CH3])[1C](=[1O])/[1C]1=[1C]1\\[1CH]=[1CH][1c]2[1cH][1cH][1cH][1cH][1c]2[1O]1"]
["76239682","[1CH3][1O][1c]1[1cH][1c](S[1c]2[1cH][1cH][1c]([1CH3])[1cH][1cH]2)[1c]([1O][1CH3])[1c]2[1c]1[1C](=[1O])[1CH]=[1CH][1C]2=[1O]"]
["76239929","[1CH]#[1C][1CH2][1CH]1[1CH2][1CH2][1CH2][1CH2]/[1CH]=[1CH]/[1CH2][1c]2[1cH][1cH][1cH][1c]([1O][1CH3])[1c]2[1C](=[1O])[1O]1"]
["76239960","[1CH3][1c]1[1c]([1CH3])[1c]2[1c]([1c]([1CH3])[1c]1[1O][1C](=[1O])[1C]([1CH3])([1CH3])[1CH3])[1CH2][1CH2][1C]([1CH3])([1CH3])[1O]2"]
["179471384","C(C1CC2CC2C1)C(CC1CC2CCC21)CC(CC1CCC2CC12)C1CCC2CC21"]
["195103264","CC(=O)OC(CCC1CC(OCCO)C(O)CC1C1CCNC([NH3+])C1)CC(OC(C)=O)C1CC(CO)CCCC(CC(C)C)C1"]
["175718525","O=S(=O)(CCO)c1ccc(COC[C@@H]2CC2C2CCNCC2)nc1"]
["160651092","OCC(CN=C(O)C1OCC2COCCC21)CC1CCCC1"]
["79700268","CC1CC1CC(CC1CCC1)C1CCCC1"]
["161530047","O=C/C=C/C1CCC2C3CCC(C3)C12"]
["43970688","CCC1CCC(CN)C(OC2CC(C)CCC2C(C)C)C1"]
["158955004","O=S(=O)(CC1CCC1)N=C(O)C[C@@H]1CC[C@@H]2C[C@H]21"]
["169798559","CC(CC1CC(SC2CC(C)C3CCCCC23)C2CCCCC12)c1ccccc1"]
["91523393","C1CC2C3CC(CC13)C2CC1C2CC3CCC1C3C2"]
["178973223","COCC[N+](CCOC)(CCOC)CCOCC(COC(=[OH+])C1CC2CC1C1C3CCC(C3)C21)CS(=O)(=O)[O-]"]
["178098884","CCCCCCC1CC(C2CCC(C)(C)CC2CCCC)CCC1C1CCCC(CCCCC)C1"]
["183079263","[N-]=[N+]=NSC1=NC=C(Sc2[nH]cc[nH+]2)C1=S=c1cn[nH][nH]1"]
["182366547","[N-]=[N+]=Nc1nc(CCCN)n2c1cnc1[nH]ccc12"]
["181016303","CN1CCN(Cc2c(O)ccc3nc(N=[N+]=[N-])[nH]c23)CC1"]
["184032721","CC1CCN(c2cc3ncc(=[I+])cc-3n3c(N=[N+]=[N-])n[n-]c23)CC1"]
["182369900","[N-]=[N+]=NC1CCN(c2cc[nH]c(=N)n2)CC1"]
["182626326","CC(C)n1nc(N=[N+]=[N-])c2c(=N)[nH]ccc21"]
["182087032","[N-]=[N+]=NSc1ccc[c-](C2CC2)c1=O"]
["182012570","Cn1nccc1C1CC(F)(F)CC1OC1(ON=[N+]=[N-])CC(F)(F)CCC1(OC1CC(F)(F)CCCC1c1cn[nH]c1)c1ccnn1C"]
["58829161","CC(C)(C)C1=NC=C(Sc2nc[nH]n2)/C(=C2\\C=C(Cl)C=CC2=O)N1"]
["177008508","Cn1c(N2CC[C@H](N=c3[nH]ccnc3OC3CCC3)C2)cc(=O)n(C)c1=O"]
["183537219","COc1cnc(-c2ncc(OC)c3c(N=[N+]=[N-])c[nH]c23)cn1"]
["182285045","[N-]=[N+]=Nc1cnc2c(n1)N(CCC1CCOCC1)CCN2"]
["99539477","BrB(Br)c1[c-]c(Br)[c-][cH-]1.Br[B-](Br)=C1[CH-][C-](Br)CC1.[Fe]"]
["165204708","Brc1bnncc1"]
["114839544","CNC(c1ccc(OC2CC2)cc1)c1cc(Cl)cc(Br)c1"]
["99398828","BrB(Br)C1=[C-]C(=[B-](Br)Br)[C-]=C1.Br[B-](Br)=C1[CH-]C(=[B-](Br)Br)CC1.[Fe]"]
["51477335","C1CCC2=C3CCCCC4=C(C1)[C-]1CCCC[C-]2[C-]2CCCC[C-]1[C-]4CCCC[C-]32.[Fe]"]
["79663232","[Li+].[Li+].[c]1[cH-][c-]c2c1CCCC2"]
["79581831","BrB(Br)C1=C[C](Br)C=C1.BrB(Br)C1=C[C](Br)C=C1.[Fe]"]
["171056881","Nc1c(Br)c2c3c(c1Br)CCCC3CCC2"]
["172828403","Br[B-](Br)=C1C=CC(Br)=C1.Brc1ccc[cH-]1.[Fe+2]"]
["174042726","[B+]C1([B+])COC2=C(I)[CH-][C-](Br)C(Cl)=C21"]
["148761784","Cc1sc2c(c1Br)NC(Cl)=NC2"]
["172482951","Oc1c(O)c2c(c(O)c1Br)-c1c(Br)c(O)c(O)c(Br)c1CC2"]
["45055864","[C-]#CC[C-]1N=C=C2CCCC2=N1.[Y].[Y]"]
["172288700","F[C@@H]1C[C-]2CCCN2C1.[U]"]
["11696490","N#CC1=C(SCC(O)=Nc2nccs2)N=C2CCCC([O-])=C2[C@@H]1c1cccc(Cl)c1Cl"]
["7866610","C[C@@H]1C(C(=O)[O-])=NC2=C1C(=O)CCC2"]
["58303733","N#CC1=C(S)N=C2CCCC([O-])=C2[C@H]1Cc1ccccc1"]
["45220076","[C-]#[N+]/C(C#N)=C1\\C=C(C)CCC1"]
["198605868","[CH-]=CC1=C=NC=N[C-]1c1cnn(C(CC#N)=C2CCCC2)c1.[Nb+2]"]
["60922456","[C-]#CCN.[Y]"]
["91141654","Cc1cc(C2=NCCCC2)n[nH]1"]
["MCULE-9041466153","C#Cc1nn(C2CCSCC2)c2c1CCC2"]
["19518221","CCOCCOC(=O)[C@@H]1C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl"]
["MCULE-1174122292","N#CCc1c2c(nn1CC(F)(F)F)CCC2"]
["180094122","CC1(C)C2NC3C4=C2C2CN4C(C)(C(C)(C)C4CCN(C4)C(C)(C)C21C)C3(C)C"]
["85461698","CCOC1CCCN(C2(CN)CSCCC2(C)C)C1"]
["146398296","CNC1CCCN(CCN2C(=O)C3(CCCC3)N=C2O)C1"]
["MCULE-4853894789","CC(C)c1c(C2(C)CC2)nn(C2CCCCN2)c1I"]
["180107510","CC[C@H]1C[C@@H]2CCN3CC123"]
["110681092","CC1(C)[C@@H]2CC[C@]1(C)[C@@H](N=C(O)[C@@H]1CC(=O)N(Cc3ccco3)C1)C2"]
["97089973","CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(N4CCC[C@@H]4CO)C3=O)N1C[C@@H]1N[C@@H]12"]
["32734398","CNc1ccc(CCN2CC3CC[C@](C)(C2)C3(C)C)cc1"]
["86211871","CCC1(C(=O)O)CCN(C2CCC(C)(C)C2)CC1"]
["133351600","CC1(C)CCC(CN2CCSC3CCCCC32)O1"]
["112444736","CCCC1CCN(C2(CN)C3CC4CC(C3)CC2C4)C1"]
["94821145","CC1(N2CCC(N)CC2)CCC1"]
["187497318","O=C1C=C(S[C@@H]2[C@H]3C(=O)C=C4S[C@H]5C[C@@]42C2=C(N5)C(=O)C4=[NH+]C=C5CCN3C2=C54)[C@@]2(C=C[N-]C3=C2c2[nH+]ccc4cn([C@H]5[C@H]6C(=O)C=C7S[C@H]8C[C@]75C5=C7C9=C([NH2+]C=C9CCN76)C(=O)C5=N8)c(c24)C3=O)C=C1Br"]
["195107027","CO[C@@H]1[C@@H]2C(=O)C=C3S[C@@H]4C[C@]31C1=C(N4)C(=O)C3=C4C(=C[NH2+]3)CCN2C41"]
["195674944","CC[C@H]1OC(=O)[C@H](C)[C@@H](C2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCc3cn(C[C@H]4CC(c5ccc(N6CCOCC6)c(F)c5)=NO4)nn3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"]
["154332309","N[C@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C3c5c(c[nH]c5C(=O)C1=N4)CCN32"]
["168167278","O=C1C=C2SC3CC2(C=C1Br)c1c(c(=O)c2ncc4cc[nH]c1c42)N3"]
["195622059","CC[C@H]1OC(=O)[C@H](C)C([C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCc3cn(C[C@H]4CN(c5ccc(C(C)=O)cc5)C(=O)O4)nn3)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)C1(C)O"]
["186143851","Cc1cnc(C2=C3CC4(CCOCC4)C32)c(C(=O)Nc2ccc(C(=O)N3CCC(c4ccc(C(=O)NC5CC5)s4)=Cc4ccccc43)cc2)c1"]
["178000749","CCNc1[nH]c(=Nc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)c3c2OCCO3)nc2[nH]cc(C#N)c12"]
["195063730","Cn1cnc(S[C@H]2[C@H]3C(=O)C=C4S[C@H]5C[C@]42C2=C(N5)C(=O)c4[nH]cc5c4C2N3CC5)c1C[C@H]([NH3+])C(=O)O"]
["54178492","CC(C)[C@@H]1N=C(O)CCCCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(=O)N(CC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](Cc2ccc3ccccc3c2)C(O)=N[C@@H](CS)C(=N)O)CCCCCCN=C1O"]
["174108524","CC[C@H]1OC(=O)[C@H](C)C([C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCCc3cn(C[C@H]4CC(c5ccc(N6CCOCC6)c(F)c5)=NO4)nn3)C2=O)C(C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"]
["32435355","O=C1CC2S[C@@H]3C[C@@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3c2C1=NCC3"]
["64055256","C[Si](C)OC(c1ccc(B2OB(c3ccc(C(O[Si-](C)C)C(C)(C)C)cc3)OB(c3ccc(C([O+]=[Si](C)C)C(C)(C)C)cc3)O2)cc1)C(C)(C)C"]
["177115646","CC(C)C[C@H](N[C@@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cccs1)C(=N)O"]
["47655447","CCOC(=O)C1CC(C(O[Si](C)C)C(C)(C)C)CN=C1O"]
["128359888","COC(CNC(O)=NCC(c1ccccc1)C(C)(C)CO)C(C)(C)C"]
["56299055","C[Si](C)OC(c1ccc(Br)cc1)C(C)(C)C"]
["25142513","O=[N+]([O-])c1ccc(B2OB(c3ccc([N+](=O)[O-])cc3)OB(c3ccc([N+](=O)[O-])cc3)O2)cc1"]
["56840691","C[Si](C)OC([C@H]1CNCC(O)=N1)C(C)(C)C"]
["97983087","CC(C)(C)c1ccc(C(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1"]
["46464688","C[Si](C)OC(C(OC(=N)O)c1ccc(Cl)s1)C(C)(C)C"]
["185040662","COCC(C(=N)O)c1ccc(N2CC3CCC2CC3)c(OC(F)(F)F)c1"]
["171859222","C[Si](C)OC(c1cc(C(O)CNC(C)(C)C)ccc1OP(=O)(OC(C)(C)C)OC(C)(C)C)C(C)(C)C"]
["49398449","C[C@@H](N)c1ccc(Oc2cccc(C(C)(C)C)c2)c(Cl)c1"]
["101391016","CC1=CC(C)=[N+](C)C1=C(/C=C/c1cc2cc3c(cc2oc1=O)C#CCCS(=O)C3)c1c(C)cc(C)n1B(F)F"]
["64405628","Cc1cc(/C=C(\\Cl)c2cc(=O)n3cccc(C)c3n2)cc(C)c1O"]
["15969510","Cc1cc(-c2cc(C(=O)N3CCCC3)c3cnn(C(C)C)c3n2)c(C)o1"]
["48932275","Cc1cc(C(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c(C)n1-c1ccc2c(c1)CCC2"]
["180015624","CCN(CC)c1ccc2cc(/C=C/c3c(CCO)cccc3C(C)C)c(=O)oc2c1"]
["102766791","Cc1ccc2oc(=O)c(C(=O)Nc3c(C)cccc3C)cc2c1"]
["75439459","O=c1oc2ccccc2c(O)c1CC=Cc1ccccc1"]
["134477865","Cc1cc(C(=O)N2CCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)c(C)o1"]
["153827897","Cc1ccccc1/N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccco1"]
["101249424","C[n+]1cccc(C(=O)/C=C/c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)c1"]
["136208191","Cc1cc(C(=O)N2CCN(Cc3cn(-c4ccccc4)nc3C)CC2)c(C)o1"]
["MCULE-7219974274","Cc1ccc2occ(C=CC(O)=NC(C)c3csc(C)n3)c(=O)c2c1"]
["161741058","[3H]c1cc(N=C=S)ccc1C=CC1C=CC(N=C=S)=C(S(=O)(=O)O)C1([3H])S(=O)(=O)O"]
["183325665","COC(=O)C(C)(C)COc1ncc(-c2ccc(N=C=S)cc2Cl)cn1"]
["174939364","CN=C(S)Nc1ccc(/C=C/c2ccc(N=C(S)NN=C(O)C(Nc3ccc(C)cc3)C(O)=N/N=C/c3cc(Br)c(O)c(Br)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1"]
["76387610","CCOc1ccc(C=CC(O)=NC(=S)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1"]
["83683573","CC(O)=Nc1ccc(NC(=O)C(C#N)=Cc2ccc(O)cc2)cc1"]
["14081528","Cc1ccc(N=C(O)[C@H](C)Oc2ccc(S(C)(=O)=O)cc2)cc1Cl"]
["68665818","CC(O)=Nc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1"]
["26087169","CC(Oc1ccc(N=C=O)cc1)c1ccccc1"]
["173437734","CO/C(=C\\c1ccc(OS(=O)(=O)O)cc1)C(=O)O"]
["69135299","N#CC(=Cc1ccc(Cl)cc1)C(=O)N=c1cc[nH]cc1"]
["152431953","COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\\C#N)C(O)=Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1"]
["147870788","CN(/C(F)=C/c1ccc(Cl)cc1)S(C)(=O)=O"]
["99409584","CC(C)(C)OC1=CC(=[Si](O[Si-](c2cc(OC(C)(C)C)c(OC(C)(C)C)cc2OC(C)(C)C)c2cc(OC(C)(C)C)c(OC(C)(C)C)cc2OC(C)(C)C)c2cc(OC(C)(C)C)c(OC(C)(C)C)cc2OC(C)(C)C)C(OC(C)(C)C)=CC1=[O+]C(C)(C)C"]
["101413824","COc1cc(OC)c(C(=O)N2CCN(C3CCCC3)C(=O)C2)cc1OC"]
["69992785","CC(C)(C)Oc1cc(O)ccc1Br"]
["6901259","COc1cc(OC)c(C(=O)O[C@H](C)C(O)=Nc2cc(C(F)(F)F)ccc2Cl)cc1OC"]
["6249278","COc1ccc(/C=N\\N2CC[NH+](Cc3ccccc3Cl)CC2)c(OC)c1"]
["MCULE-1048133678","COc1cc(-c2ccc(C(C(O)=Nc3c(C)csc3C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(OC)c1OC"]
["116503553","CN=C(NCc1ccccc1OC(C)(C)C)Nc1ccc(OC)c(OC)c1"]
["97712425","CC(C)(C)OC(=O)c1ccc2c(C(=O)OC(C)(C)C)cc(OC(C)(C)C)c-2cc1C(=O)OC(C)(C)C"]
["25883815","CC(C)(C)OC(O)=NC(CO)c1ccc2c(c1)C(C)(C)CCC2(C)C"]
["95787588","COc1cc(C(C)(O)c2ccoc2)ccc1Cl"]
["168626265","CC(C)(C)C1=CC(=O)NC2=CC(=NC(=O)C(C)(C)Oc3ccc(Cl)cc3)C=CC21"]
["100876292","CC(C)(C)Oc1ccc(F)cc1[N+](=O)O"]
["195903993","CN=CC(=C[NH3+])c1cnc2c3c1-c1cncc(c1)C(C)c1cnnc(c1)N=C(C=C2)N3"]
["MCULE-6884217191","OC(COc1ccccc1F)=Nc1cc(-c2ccncc2F)ccn1"]
["110218948","Cc1cc(C(O)=N[C@@H](C)c2ncc(-c3ccccc3)[nH]2)c(C)n1-c1cccnc1"]
["MCULE-6346657589","N#Cc1ccc(F)c(-c2c(C(O)=Nc3ccncn3)ccc(F)c2F)c1"]
["178056998","COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(CC(=O)N2CC3(CCN(c4ccc5c(c4)C(=O)N(C4CCC(O)=NC4=O)C5=O)C3)C2)C1"]
["173784642","CN=CC(=CN)c1ccc(-c2cncc(F)c2N2CCC3(CC2)CN=C(O)O3)cc1"]
["MCULE-2287506708","Cc1ccccc1C(O)=Nc1ncncc1-c1ccc(OC(C)C)nc1"]
["185729540","CN=CC(=C(N)COC(C)C)c1cnc2ccc(N=c3[nH]nc(C(C)C)s3)nc2c1"]
["MCULE-8244990131","COc1ncc(OC)c(=NC(=O)c2cccc(F)c2-c2cncc(F)c2)[nH]1"]
["161312726","CC1=Nc2ncnn2[C@@H](c2cccnc2)/C1=C(\\O)OC1CCCCC1"]
["MCULE-9656897333","COc1cnc(C(O)=Nc2cc(F)c(-c3cncc(C#N)c3)c(F)c2)cn1"]
["MCULE-8351864879","CC(=O)N1CSCC1C(O)=Nc1ccc(F)c(-c2cncc(F)c2)c1"]
["70255516","C=C(C1=NC(=C(c2ccc(C(C)=C3C=CC(C(C4=NCC=C4)=c4ccc(=C=C=c5ccc(=C(c6ccc(C(=C)c7ccc(SC)cc7)[n-]6)c6ccc(C(C)=c7ccc(=C(C)C8=[NH+]CC=C8)[nH]7)[n-]6)cc5)cc4)=N3)[n-]2)c2c(C)cc(C)cc2C)C=C1)c1ccc(SC)cc1.[Mg+2].[Zn+2]"]
["MCULE-6779408402","COc1c(F)c(F)cc(C(O)=Nc2c(C)cc(C)cc2-c2ccc(SC)cc2)c1F"]
["133542843","Cc1cc(C)c2cc(C(=O)N(C)C3CCCN(c4cccnn4)C3)[nH]c2c1"]
["200071778","CC1=C(C(=O)Oc2ccc(C(F)(F)F)cc2)C=NC1=C(c1[n-]cc(C(=O)Oc2ccc(C(F)(F)F)cc2)c1C)c1c(C)cc(C)cc1C.CC1=NC(C(=C2N=C(C)C(C(=O)Oc3ccc(C(F)(F)F)cc3)=C2C)c2ccc(C)cc2)=C(C)C1=C([O-])Oc1ccc(C(F)(F)F)cc1.[Co+2]"]
["108844067","COC(=O)c1c(N=C(O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(SC)cc2)sc2c1CCCC2"]
["175772698","COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NCc1nnc(C)n1-2.[B+]=C1CNC2=CC(=CCN=C(C)O)C=C[C-]12"]
["75115352","CSc1ccc(C(=O)/C=C/c2cc(C)c(C(=O)OC(C)(C)C)c(C)c2OC(C)C)cc1"]
["69793015","C=C(C1=NC(=C(c2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccc([N+](=O)[O-])cc3)=c3ccc(=C(C4=NCC=C4)c4ccc([N+](=O)[O-])cc4)[nH]3)[nH]2)C=C1)c1ccc([N+](=O)[O-])cc1"]
["MCULE-3326021664","COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1ccc(-n2cccc2)cc1"]
["179443984","Cc1nc(-c2ccc3nnc(SC4=N[N+]5(C)C=C(N=C(O)C6CC6)N=C5C=C4)n3c2)n[nH]1"]
["55737008","CSc1ccc(NC(=O)CSc2nncn2-c2ccc(C)cc2C)cc1"]
["96731577","CSc1ccc(-c2ccc(/C=C/C(O)=Nc3ccc(N=C(O)Cc4ccc(C)cc4)c(C(=O)c4ccccc4)c3)s2)cc1"]
["178772662","CCC1CC2=S1C1=C(C)CCC1C2"]
["51534137","CCCC1CCC(c2ccc(Cc3ccc(N)c(C)c3)cc2)CC1"]
["116827561","CCCCNC(=N)NCC(N=C(O)OC(C)(C)C)C1CC1"]
["MCULE-2177707649","Cc1cncc(C)c1-n1nc(C2CC2)c(CN)c1C(F)(F)F"]
["105460601","CCOC(=O)[C@H](C)N[C@@H]1CCCc2c1cnn2C"]
["175800185","CC[N+]1(CCO)CCCCC1CCN(c1ccccc1C)C1Cc2ccccc2C1"]
["179792901","CCC1=C(Cl)CCC1Cl"]
["93309280","CCC(C)(C)NC1CCc2ccc(F)cc21"]
["157019911","CC[C@@H]1C[C@H]1N1CCC(=O)C1=O"]
["170069426","CCOC(=O)C1(C(=O)OCCC2C(=O)CCC2=O)CCC1"]
["135902351","CCOC(=O)CCCN=C(O)CN(C)C1CCc2ccccc2C1"]
["120196027","CCC1CCCC(C(O)c2ccc(Cl)cc2C)C1"]
["20106094","O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]C(S)=[NH+]CCN2CCOCC2)C1"]
["MCULE-6266655715","CCC1CCCCN1C(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1F"]
["24128973","C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3C=C12"]
["16021848","O=C1c2ccccc2C(=O)N1CCSc1cc(N2CCOCC2)ncn1"]
["60471710","O=C(COc1ccc(C2SCCCS2)cc1)N1CCC(CN2CCOCC2)CC1"]
["190092090","Cc1cc(=O)cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(C3CC3)n(C)n2)o1"]
["74914551","C[C@@H](O[C@H]1CN2C(=O)CC(C(=O)N3CCOCC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["18866684","CCCCOc1ccc([C@](O)(CC)[C@@H](CN2CCOCC2)c2ccc(F)cc2)cc1"]
["70607711","C=CC1CN2CCC1CC2C12[NH2+]c3ccccc3C1(O)CCO2"]
["77375200","COC1=CC2=NC(=O)C(CN(CCCN3CCOCC3)C(S)=NCc3ccccc3)=CC2C=C1OC"]
["51059571","Fc1ccc(NC(=S)N(CCN2CCOCC2)CC2CC=CCC2)cc1"]
["19369121","O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1)c1cc(Br)ccc1O"]
["186366201","COc1ccc(C2N(C)CC34CC5CCC6=C7C8=C9C(=C3C75)C3=C5C7C(CC[C@H]%10C%11C=C%12C%13C(=C9C3=C(C%13%11)C7%10)C37C%12C=CC3C87C6)CC524)cc1"]
["61479250","COc1ccc(C2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2CCCn2ccnc2)cc1"]
["21364003","COc1ccc([C@H]2CC(c3cccc(F)c3)=[NH+]N2C(=O)CN2CCN(c3ccccc3F)CC2)cc1"]
["166881015","COc1ccc([C@@H]2[C@@H](C(=O)N3CCC(O)CC3)OCC(=O)N2C2CC2)cc1"]
["176110404","CC.COc1ccc(C)c([C@]23CCN(C)C(C)[C@]2(O)CCC(=O)C3)c1O"]
["130946619","CCCN=C(O)C1CCCN(Cn2[nH]c(-c3ccc(OC)cc3)nc2=S)C1"]
["55607876","C=CCN(C(=O)C1N(CCCCCCO)C(=O)[C@@H]2[C@@H](C(=O)N(CC=C)c3ccccc3)[C@@H]3SC12CC3Br)c1ccc(OC)cc1"]
["181931031","COc1ccc(-n2nc(C(C)(C)C)cc2N(C(=O)N=[N+]=[N-])C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)cc1"]
["126011264","COc1ccc(N2CC(C(O)=NCC(F)(F)CN)CC2=O)cc1.Cl"]
["109543928","COc1ccc([C@@]2(C)N=C(O)N(CC(=O)N(C3CC3)[C@H]3CCCc4ccccc43)C2=O)cc1"]
["81389606","COC(=CCC12CCCC1C1CCC3=CC(=O)CCC3=C1C(c1ccc(OC)cc1)C2)CO"]
["23683734","COc1ccc(C2CCCCCN2CC(O)=Nc2cc(S(C)(=O)=O)ccc2Cl)cc1"]
["173739821","[B+]=C1[N-]C(=C2C=[C-]C(N3C(=C4C=C(C5[N-]c6ccccc6N5C5[C-]=CC(=C6[N-]C(=[B+])C(=[B+])C(=[B+])C6=[B+])C=[C-]5)CC(=C5[N-]c6ccccc6N5C5[C-]=CC(=C6[N-]C(=[B+])C(=[B+])C(=[B+])C6=[B+])C=[C-]5)C4)[N-]c4ccccc43)[C-]=C2)C(=[B+])C(=[B+])C1=[B+]"]
["173554370","CC.CCC(C)=c1ccccc1=C1[N-]c2ccccc2N1c1ccccc1.[Ir]"]
["179695849","CC1(C)C(c2ccc(C(=O)[O-])cc2)=CC[C@]2(C)CN(C(=O)C3C=CC=CC3=C3[N-]c4ccccc4N3CC34CCN(CC3)C[I+]4)CC=C12"]
["172832300","Oc1ccccc1C1[N-]c2ccccc2N1c1ccccc1.Oc1ccccc1C1[N-]c2ccccc2N1c1ccccc1.[Be+2]"]
["163070587","N#CC1CNCCN1c1ccccc1F"]
["156196278","NCCN1c2ccccc2NC[C@@H]1c1ccc(C(=O)O)cc1"]
["33564795","O=C1c2cccn2-c2ccccc2SC1c1ccc(Cl)cc1"]
["196500609","CC(C)(C)C1=CC=[C+]C(c2[c-]c(-c3cccc4c3[N-]C3=C5C(O)=CC=[C-]C5n5c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)nc6c(-c7ccccc7)ccc(c65)N34)ccc2)=C1.[Pt+2]"]
["19124074","O=C(CCSc1nc(Cl)nc2[n-]cnc12)N1CCN(c2ccccc2F)CC1"]
["MCULE-4695973055","O=C1C(Nc2ccccc2N2CCOCC2)=C(c2c[nH]c3ccccc23)C(=O)N1C1CCCCCCC1"]
["175161064","CC.[B+]=C1[CH-]C2=C(CC1)N(c1ccc(C)cc1)c1ccccc1O2"]
["151217239","O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@@H]2C1=O)c1ccc(Cl)cc1"]
["188634080","C=C1CC23CC4C5C6(C)CC(O)CC57C(C2C(O)C1C(O)C37)N4C6O"]
["112758567","CSC1CCCC1n1c(C)cc2c1CC(C)(C)CC2O"]
["96833583","C=C/C(C)=C/CC1C(=C)CC=CC1(C)C"]
["194941675","CC1C(O)C2(OC3CC4(O)C5=CC(=O)C6C(c7ccc(O)c(O)c7)C(O)C(OCCCO)CC6(C)C5CCC4(C)C3C2(O)CCO)C2C=CC1(C)CC2"]
["MCULE-2498209444","C=CCN(CC=C)c1cc(N2CCC(O)CC2)nc(C)n1"]
["32004760","C=C1CC23CC1C(O)CC2C1(C)CCC(O)C(C)(C(=O)O)C1C3C(=O)O"]
["154181945","C=C1C[C@@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CCO"]
["32294254","C[C@H]1C[C@@]23CCC[C@@]2(CC(=O)CC3)C1"]
["200581725","C=C1C[C@]23CC1CC[C@H]2[C@]1(C(=O)O)C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O"]
["153728928","C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O"]
["62550224","CC1(C)Cc2c(ccn2C(C)(C)C(=N)O)C(N)C1"]
["150708642","CC(=N)N1C[C@H](O)[C@](C)(O)C1"]
["178089885","CC1=C(C(O)=Nc2cn3c(c2C)C(=IC2=[C-]C=C=CC2)C(=C=[N-])C=I3)CI=I1.[U+2].[c-]1ccccc1"]
["48907908","Cc1nc(N(C)c2ccccc2)sc1C(O)=Nc1cccc(Cl)c1C"]
["12507791","CCOC(=O)CN1CCN(CC(O)=Nc2ccccc2Cl)CC1"]
["56045671","CC(=O)c1ccccc1N=C(O)C1CC(=O)N(c2ccc(Br)c(C)c2)C1"]
["164573240","CN1CC(=O)OB(C#Cc2ccccc2N=C(O)OC(C)(C)C)OC(=O)C1"]
["MCULE-8857117491","Cc1cncc(-c2cccc(N=C(O)c3cc(C)ccc3C)c2C#N)c1"]
["107326897","Cn1cc(C(O)=Nc2ccccc2CC(O)=NCc2ccccc2)c(=O)c2cccn21"]
["10324687","COc1ccccc1N(CCC#[NH+])C(=O)CN(C)CC(O)=Nc1ccccc1Cl"]
["58122975","Cc1ccccc1N=C(O)c1cccc(N=C(O)CN2CCC(C(O)=NCC(O)=Nc3ccccc3C(O)=Nc3c(F)cccc3F)CC2)c1C"]
["MCULE-2483214397","Cc1nc(NC2CC2)sc1C(O)=Nc1cccc2ncccc12"]
["189018157","COC1(C)CN(CC(O)=Nc2cnc(C)c(N=C(O)c3cnn4cc(Br)sc34)c2)C1"]
["MCULE-2864405744","CCC(C)c1ccccc1N=C(O)Cn1c(C)cc(O)cc1=O"]
["82978649","Fc1ccc(C2NNC=C2C2CCC3NCNC(=C4C=CC(=S)S4)C3C2)cc1"]
["101988402","CS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@]1(CN)CO"]
["153156691","O=c1[nH]c2ccc(N3CCC[C@@H]3CO)nc2nc1Cc1ccc(F)cc1"]
["187609648","CCN(CC)C1C=CN(c2ccc(F)cc2)C1"]
["126721628","CN(CCOc1ccc(F)cc1)Cc1csc(C2CC2)n1"]
["89976797","O=C(c1ccc2ncoc2c1)N1CCOC(c2ccc(F)cc2)C1"]
["81465048","COC1(C(O)=NC2CCC3NNC(c4ccc(F)cc4)C3C2)CCN(CC(=O)N2CC=C(c3ccc(-c4nnc(C)o4)cc3F)CC2)C1"]
["200140845","C[C@H]1CN[C@H](c2ccc(F)cc2)CN1C(=O)C1(C(F)(F)F)CC1"]
["177640640","CN(C)C(=O)[C@H]1C[C@@H](NC(O)=Nc2cccc(F)c2)C[C@@H]1c1ccc(F)cc1"]
["107470776","O[C@@H](C[C@@H]1CCCN1)c1ccc(F)cc1"]
["129572095","CC1CN(Cc2c(F)cccc2[N+](=O)[O-])CC(c2ccc(F)cc2)O1"]
["MCULE-4164424648","Fc1ccc(F)c(-c2cnn3cc(C4CC4)[nH]c23)c1"]
["180205353","[NH3+]C1NC(O)C2C3OC4([O-])OC(C(O)C2(N1)C4O)C3(O)CO"]
["88847237","NCC[C@H](O)c1nnc(C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)o1"]
["185798486","CC(O)C1(O)O[C@H](CO)[C@@H](O)[C@@H]1O"]
["100170640","OC[C@H]1OCC(O)(O)[C@@H]1O"]
["80971969","Cc1oc(C2(C)OC(CO)C(O)C(C(O)CO)O2)c(C)c1C"]
["29067197","OC[C@H]1OC(O)(c2c[nH]c3ccccc23)[C@@](O)(c2c[nH]c3ccccc23)[C@@H](O)[C@H]1O"]
["163563541","[2H][C@@]1([15n]2ccc(O)[15n][13c]2=O)O[C@H](CO)[C@@H](O)[C@@]1(C)F"]
["167375257","CC1(C)OCC(C2C3OC4(O)OC(C(O)[C@@]2(N=C(O)C(Cl)(Cl)Cl)[C@@H]4O)[C@]3(O)CO)O1"]
["187011678","CC(C)[C@H](N)C(=O)[C@@](Cc1cnc[nH]1)(NC1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O"]
["162698017","OC[C@]1(O)[C@H](O)CO[C@H](O)[C@@H]1O"]
["183970110","CC1(C)O[C@@H]2[C@@H](N=[N+]=[N-])O[C@](CO)(CO[Si](C)(C)C(C)(C)C)[C@H]2O1"]
["61431743","[NH3+][C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@](O)(CO)[C@@H]1O"]
["177027152","C=C1/C=C\\C(CC)=C=C2C=C/C(=C(\\C)c3ccc([nH]3)/C(P)=C(C)/C=C\\C(C)=C\\1C)[N]2.[Pb]"]
["167521421","CCc1[nH]n(CC)c2nc(-c3c(F)cccc3F)c(O)c(=O)c1-2"]
["MCULE-1652260266","CCc1nn2cc(-c3ccc(C)cc3F)[nH]c2c1P(=O)(OC)OC"]
["17921044","CCC(O)=Nc1ccc(C)c(Br)c1"]
["31323319","CCc1cc(=NCCCCCO)nc(-c2ccc(Br)cc2)[nH]1"]
["155223983","CCOc1ccc(/C=C/c2cc(-c3nc4c(C)nc(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1"]
["1832238","CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnc(C)s3)[nH]c2c1"]
["44410835","Nc1ccccc1-c1nc2cc(Br)cnc2[nH]1"]
["MCULE-7611095132","CCc1c(C)nn2c(=O)cc(-c3ccc(C)cc3Cl)[nH]c12"]
["33391342","CCc1nnc2n1CC(C1CCCCC1)c1cnn(C(C)(C)C)c1-2"]
["132718085","CCc1cc(=O)c2cc(N=C(O)Cc3c(C)nn(C)c3Cl)ccc2[nH]1"]
["152472967","CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C(O)=NC2=S)c1"]
["102897851","C1=Nc2nc3nc(nc4[nH]c5nc(nc6nc(nc7[nH]c(n5c([nH]2)=N1)=NC=[NH+]7)[nH+]c[nH+]6)N4)[nH+]c[nH+]3"]
["75494032","CC1C([N+](=O)[O-])=C2N(CC3=CCC(Cl)N=C3)CCN2C(N)C1C"]
["99455391","[O][N+]([O-])=C1C(N2CCC(C(=O)c3ccc(F)cc3)CC2)=NC=NC1=[As]c1ccccc1F"]
["161707178","CC1N=C2C(=O)N=CN=C2S1"]
["170270786","COc1cc(NS(=O)(=O)c2ccc(N(c3ccc(-c4csc(=NCC5CCCO5)[nH]4)cc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2)nc(OC)n1"]
["161485568","Cn1nc(NS(C)(=O)=O)cc1C(O)=N[C@@H]1CCC[C@H](N=c2[nH]c(-c3c[nH]c4c(F)cc(F)cc34)ncc2F)C1"]
["166766025","OC(=Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCCC3)ccn1)C1CC2CCC1C2"]
["153220119","O=C(O)c1nc2cn1/C=C\\C=N/CC1=CN3C=CC=N[C@]3(C(=O)O)N1C2"]
["161436075","CCC1=C(N(C)c2nc(-c3ccc(F)cc3)cs2)N2C=C(N)C=CC2N1"]
["24159889","O=[N+]([O-])c1cccc(C2=NN(c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cs3)C(c3ccc(F)cc3)C2)c1"]
["164108159","CCc1nc2ccc(C3CCN(S(N)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1"]
["198344743","NC(=O)c1cc(C2(OCOC(=O)CC(O)C(=O)O)C3CCCC2CN(C2CCOCC2)C3)ccn1"]
["176171920","C=C1C(=O)O[C@@H]2[C@H]3C4=C(C[C@H]3C(=C)CC[C@@H]12)O[C@]1(CC4)C(=O)C[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@]21S"]
["32689588","C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)[C@](C)(O)CC/C=C(\\C)CC/C=C(\\C)[C@@H]2OC(C)=O"]
["102595432","C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@H]3C(C)(C)[C@H]4O[C@H]4C(=O)[C@]3(C)[C@@H]1C2"]
["188566991","C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)Cc1nnc(O)c3ccccc13)=C\\CC[C@@]1(C)O[C@@H]21"]
["278130","C=C1C(=O)O[C@H]2[C@H]1CC/C(C=O)=C\\CC[C@@]1(C)O[C@@H]21"]
["54848911","C=C1C(=O)O[C@@H]2C3CC3(C)CC/C=C(/C(=O)O)CC[C@@H]12"]
["56824122","C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@](C)(O)CCl)CC(=C)[C@@H]1C[C@H](O)[C@]3(COC(C)(C)O3)[C@H]21"]
["154199969","C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)CC[C@H](C(C)=O)[C@H](OC(C)=O)C[C@@H]12"]
["154319215","C=C1C(=O)O[C@@H]2/C=C(\\CO)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@H]12"]
["172047916","C=C1C(=O)O[C@H]2[C@H]1CCC(COC(=O)c1cnc3ccccc3c1)=CCC[C@@]1(C)O[C@@H]21"]
["66590314","C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C(=C)[C@H](O)COC(C)=O)C[C@]1(C)[C@@H]2[C@@H](C=O)CC[C@H]1O"]
["199087603","C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)C2[C@H]2OC(=O)C(=C)[C@H]12"]
["180348205","CC12C3C4C5CC6C3C13C6C1C6CC7C5CC5CC7C7C8C6C13C82C547"]
["84180360","ClC12C3C4CC5C6CC4C3C1(Cl)C6(Br)C52Cl"]
["180952795","CC1C2CC3CC4C5C6C7C8C9CC%10CC%11C%12C%13C%14C%15C2C9(C31)C8%15C7%14C6%13C5%12C%104%11"]
["180289933","CC1C2C3CC4CC5C3C3CC6CC2[C@@H](C)C65C413"]
["154322570","C#CCN1[C@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]2[C@@]6(C)[C@@]1(O)[C@@H]53"]
["43125541","CC1(C)C=CC2C3CC(C4CC=CCC34)C21"]
["180000564","CC1C2CC3CC4C5CC6CC7C5C5C8C1C(C)(C324)C8(C)C5(C)C67C"]
["179294166","CC12CC3CC4C5C6C7C1CC2CC7(C)C6(C)C5(C)C34C"]
["178101356","C1C2CC34C1C1C5C6CC7CC6C6C(C23)C14C756"]
["180781901","CC12CC3C4C5CC6CC1C1C7C8CC9C%10CC(C%11CC3C6(C)C(C59)(C84)C%10%117)C12C"]
["184336439","C1C2C3C4C5CC6CC5C5C7C2C64C72C3C3CC1C352"]
["180544571","CC12C3CC1C1C4C5CC6CC7C4C6(C5C3)C7(C)C12C"]
["190128471","POC1c2nc(I)c(I)n2C(COP(P)PP)C(OP(P)P)C1OPP.POC1c2nc(I)cn2C(COP(P)PP)C(OP(P)P)C1OPP.POC1c2ncc(I)n2C(COP(P)PP)C(OP(P)P)C1OPP"]
["MCULE-2918223326","Cn1cc(-c2ccc(N3CCCC3)nc2)c(N=C(O)COC2CCCCC2)n1"]
["59159322","CCOC1OCC(OP(P)PP)C(OP(P)P)C1OPP"]
["170707237","COc1ncnc(C2CC2)c1-c1ncc2cc(-c3cnn(C)c3)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)c2n1"]
["28175310","NC1CCN(C[C@H]2Cn3c(=O)ccc4ncc(=O)n2c43)CC1"]
["99810885","CC(=O)[C@H](COP(P)PP)N=C(O)[C@H](N)Cc1cccnc1"]
["139914703","COCC(N=C(O)c1ccc2ncc(I)n2c1)C1CC1"]
["27521698","O=c1ccc2ncc(=O)n3c2n1CC3CN1CCC(NCc2ccc(C(F)(F)F)nn2)CC1"]
["199284466","Cn1cc(-c2cnn3ccc(-c4c[nH]c5nc(CC6CCC6)ccc45)cc23)cn1"]
["166846840","CC1=NC2CC2C(C)=C1c1cnc2c(-c3cnn(C)c3)cn(CC3(F)CCCCC3)c2c1"]
["165813209","Cn1cc(C2CCCn3nc(N=C(O)COc4ccccc4)nc32)cn1"]
["MCULE-4445155592","CSc1ncc(-c2cnn(C)c2)c(C(=O)N2CCC(N(Cc3ccccc3)C(=O)OC(C)(C)C)CC2)n1"]
["78954615","BBB(Oc1ccc(B(B)c2ccc(OBC3CO3)cc2)cc1)C(O)COc1ccc(B(B(B)B)c2ccc(OCC(O)BOc3ccc(B(B)c4ccc(OB(BB)C5CO5)cc4)cc3)cc2)cc1"]
["22296010","Cn1c([O-])nc([O-])c2n(C[C@H](O)COc3ccccc3)c(=S)nc1-2"]
["184613936","CC(CC(O)COc1cccc(OCC2CO2)c1)c1cccc(OCC2CO2)c1"]
["122211165","CC(C)COc1ccc(CNCC2CN(S(C)(=O)=O)C2)cc1"]
["6541273","Cc1ccccc1OCCN(C)C[C@@H](O)COc1ccc(CC#[NH+])cc1"]
["20544913","C[C@H](c1nnc(-c2ccccc2)o1)N(C)CCOc1ccc(F)cc1"]
["108674570","CN(C(=O)/C=C\\c1ccc(OCc2cccnc2)cc1)[C@H]1CCc2ccccc21"]
["107154491","CC(C)COc1ccc([C@@H](CN)c2ccccn2)cc1"]
["20899992","CC[NH+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(C(C)=O)cc1"]
["19004802","Cc1ccc(OC[C@@H](C)NC(O)=NC[C@H](C)N2CCOCC2)cc1"]
["MCULE-5312803409","CC(C)COc1ccc(-c2c(NC(=O)CN3Cc4ccccc4C3=O)ccc(F)c2F)cc1"]
["100353479","CCC(COc1ccc(-c2cccc(-c3ccc(OCC(CC)C4COC4)cc3)c2)cc1)C1COC1"]
["99659493","O=C1OC(=O)[C+]2C=CC(=[Si-][O+]=[Si]=c3ccc4c(c3)C(=O)OC=4[O-])C=C12"]
["63900409","CCCCC(CCC)(CCCC)O[Si-]=c1ccc(=[Si]=[O+]C(CCC)(CCCC)CCCC)cc1"]
["17244282","COc1cccc(/C=C2\\Oc3c4c(cc(C)c3C2=O)OCN([C@H]2CCS(=O)(=O)C2)C4)c1OC"]
["56211598","O=C1C=CC(C(=O)[O-])C(Oc2cccc([O-])c2)=C1"]
["117134813","COc1ccc(/C=C2\\Oc3c(ccc4c3C(C3=Cc5ccccc5OC3)CC(=O)O4)C2=O)c(OC)c1OC"]
["945740","COc1cccc(C2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)c1"]
["MCULE-3180215533","COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(Cl)c4)c3C)C2=O)c(OC)c1OC"]
["173104709","O=C1C[CH-]c2ccccc2O1.[V]"]
["318162","CCOC(=O)C1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccc(Cl)cc1Cl"]
["19491215","CC1=NC2=NC(=Nc3ccc(C)cc3)N[C@H](c3ccco3)N2C([O-])=C1"]
["98278199","O=c1c(=Cc2cc(-c3ccc(Cl)cc3)[o+]c(-c3ccccc3Cl)c2)c(=O)c1=CC1C=C(c2ccc(Cl)cc2)OC(c2ccccc2Cl)=C1"]
["21641537","O=C1c2n[nH]c(-c3ccccc3[O-])c2[C@H](c2ccc(Cl)c(Cl)c2)N1[C@@H]1CCS(=O)(=O)C1"]
["63783388","CCC1=C2C=CC3=C2C24C5=C(C=CC5=C(CC5=C6C=CC7=C6C68C9=C(C=CC9=C(C)C9=CC=C5C96)C(C)=C5C=CC(=C7C)C58)C5=CC=C1C52)C(CC)=C1C=CC(=C3CC2=C3C=CC5=C3C36C7=C(C=CC7=C(C)C7=CC=C2C73)C(C)=C2C=CC(=C5C)C26)C14"]
["149982678","COc1ccccc1NCCNCCCCOC1C=CC2=C(C1)OC(O)C(C)=C2C"]
["82009638","Cc1cc(C)cc(CC2=NC(=O)C(I)C=N2)c1"]
["195364903","CCC1=C(C)c2cccccccc1c2"]
["162304940","CCc1nc(C2C=NC=CC2=O)n[nH]1"]
["173689036","CNCC(CCC(C)=NC1=C(C)CC(C(C)C)C=C1)C1CCCCC1"]
["184404285","CCC1=C/C(C)C(=O)CC=N/C=C\\1"]
["84876160","CCc1cc(=NCC2C(C)(C)C2(C)C)[nH]c(C)n1"]
["56495718","CCn1c(S[C@@H]2CS(=O)(=O)C[C@@H]2O)nnc1-c1cccs1"]
["171107005","CCC(C)C=C1C=CC(C)=C1"]
["170343172","CC=CC1(C2CC=C(C)C=C2C2=NC=CC3C=CC=CC23)CC1C"]
["66244267","CCC1=C(C)C(=NC2=C3C=CC=CC3C(c3ccccc3)N2[B]F)N=C1C"]
["179117782","[B+]=C1C=CC2=C([CH-]1)[NH2+]c1cc3c4c([nH]c3cc12)=[C-]C(=[B+])CC=4"]
["171661320","Cc1cc2c(C)cc(-c3cc(=N)[nH]cc3Cl)cc2[nH]1.OC1CCCOC1"]
["170980993","[B+]=C1C=CC2=C([CH-]1)N(S(C)(C)C(C)(C)C)C1C=C(Br)C=C=C21"]
["149540245","COc1c(-c2cc3cc(Cl)ccc3[nH]2)[nH]c2cc(Cl)ccc12"]
["150251905","[B+]=C1C=CC2=C([CH-]1)C(CCCCCCCC)(CCCCCCCC)C1=[C-]C(=[B+])CC=C12"]
["111903262","CN=c1nc(N2CCC(OC)C2)c(Cl)c[nH]1"]
["MCULE-7187715085","Cc1ccc(C)c(-c2cnn3c(=N)nc(Cl)[nH]c23)c1"]
["155655696","CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3ccc(Cl)cc13)CC2=O"]
["176430717","[B+]=C1[CH-]c2[nH]c3ccccc3c2C(C)C1.[HH]"]
["163206426","N=c1cc(Cl)cc(OC2CCCC2)[nH]1"]
["84060683","Cc1cc2cc(N=Cc3ccc(Cl)cc3)ccc2[nH]1"]
["89267243","COc1cc2c(/C=C/C(=O)O)cc(=O)[nH]c2cc1Cl"]
["46869389","CC(C)C(Oc1cccc2c1[C+]1[N-]c3[n-]c(c4c(OC(C(C)C)C(C)C)cccc34)[N-][C+]3N[C+]([N-][C@@H]4[N-][C+]([N-][C+]2[N-]1)c1c(OC(C(C)C)C(C)C)cccc14)c1c(OC(C(C)C)C(C)C)cccc13)C(C)C.[Cu+2]"]
["34599534","CC(C)CC(C)Oc1cccc2c1-c1nc3nc(nc4[n-]c([n-]c5nc(nc-2n1)-c1c(OC(C)CC(C)C)cccc1-5)c1c(OC(C)CC(C)C)cccc41)-c1c(OC(C)CC(C)C)cccc1-3.[Pd+2]"]
["MCULE-6175860940","CC(C)Oc1ccccc1NC(=O)c1cccc(N=C(O)c2ccc(-n3cccc3)cc2)n1"]
["7737548","C[C@H](Oc1ccccc1F)C(O)=NNC(O)=N[C@@H]1CCOc2ccc(F)cc21"]
["57399164","CC1Cc2c(OC(F)F)cccc2C(C(=O)O)N1"]
["21298105","COc1cccc([C@@H]2C[NH2+][C@]3(CCC[C@H](C)C3)c3[nH]c4ccccc4c32)c1OC"]
["104456953","C[C@@H](Oc1cccc2c(N)cccc12)c1cccs1"]
["123444044","COc1cccc2c1CCC2NC(C)c1ccc(C#N)s1"]
["142470722","CC(C)n1cccc1C(=O)OCC(=O)N(C)C1CCCc2ccccc21"]
["88869866","CC(C)Oc1cccc2c1CCNC2C1CCCCN1"]
["153237886","O[C@@H](COc1cccc2ncccc12)CN1CCN(C2c3ccccc3-c3ccccc32)CC1"]
["3635991","C[C@@H](Oc1ccccc1F)C(O)=NNC(O)=N[C@@H]1CCOc2ccccc21"]
["174169158","COC(C)[C@@H]1OC(C(O)=NCCS)[C@@H](OC(C)(C)C(C)[C@@H]2OC(C(O)=NCC[N+](C)(C)CCCS(=O)(=O)O)C(OC(C)C(C)C)[C@@H](O)[C@H]2O)C(O)[C@H]1O"]
["50950537","CC(C)C(CN=C(O)COc1cccc(N2CCCC2=O)c1)N1CCOCC1"]
["199193512","CC(C)O[C@@H]1OC(C(O)=NCC2CCCO2)[C@@H](OCCO[C@@H]2OC(C(O)=NCC#C[Si](C)(C)C)[C@@H](OC(C)C)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]
["197816355","C=CS(=O)N1CCC(C=O)C1.CC.CCn1c(-c2cncnc2)c(CC(C)(C)COC=O)c2cc(-c3csc(CC(N=C(O)C(C(C)C)N(C)C)C(=O)N4CCCCN4)n3)ccc21"]
["MCULE-2434412580","O=C(O)CCCCCC(=O)N(CCCS(=O)(=O)O)C1CCCCC1"]
["131904067","COCC(N[C@@H]1CCCC[C@H]1N=C(O)OC(C)(C)C)C(C)C"]
["MCULE-4529151306","COc1ccc(Cl)cc1S(=O)(=O)N(CCCO)C(C(O)=Nc1ccc(C)c(Cl)c1)C(C)C"]
["48485095","[B+]=C1SC(C2CC2)=N[C-]1C(=O)N(C[CH2-])[C@@H]([CH2-])CN=C(O)OC(C)(C)C.[Y]"]
["110209179","COc1ccc(C2(CN=C(O)[C@H](C(C)C)N3CCCC3=O)CCOCC2)cc1"]
["81552871","CC(C)C1C(=O)N2C(C(=O)OC(=O)c3ccc([N+](=O)[O-])cc3)=C(COc3cccc4c(CC[N+](C)(C)CCN=C(N=C(O)OC(=O)c5ccc([N+](=O)[O-])cc5)N=C(O)OC(=O)c5ccc([N+](=O)[O-])cc5)cccc34)C(C)C12"]
["165229493","CCC(C1OC(CO)C(OC)C(O)C1N)C(C)(C)OC1C(CO)OC2C(C1O)N(C(C)=O)C2(C)CC"]
["148674307","C[N+](C)(CCCC(=N)O)CCCS(=O)(=O)O"]
["97872867","[O-][N+](O)=C1C=CC(=S=NS[N+]#Sc2cccc(SN=S=N[S+]=C3C=CC(=[N+]([O-])O)C=C3)c2)C=C1"]
["182160769","[N-]=N[N+]#Sc1ccc([N+](=O)[O-])c(C(=O)O)c1"]
["100961893","[O-][N+](O)=C1C=CC(=N[I+]c2ccccc2)C=C1"]
["94390182","CCCN=C(O)C(C)N=C(O)c1cccc([N+](=O)[O-])c1Br"]
["182759619","CN(C)C/C=C\\c1cccc(S#[N+]N=[N-])c1"]
["140042361","CSc1ccc([N+](=O)[O-])c(C(O)=NC2CCC(C)C(C)C2)c1"]
["97907382","[O-][N+](O)=C1C=CC(=[NH+]C(=Nc2ccccc2S)c2ccccc2)C=C1"]
["115028525","CN=c1[nH]c(C)c([N+](=O)[O-])c(=Nc2cccc(SC)c2)[nH]1"]
["MCULE-7316973941","CSCCCN=C(O)c1cc(F)cc(F)c1-c1cccc(SC)c1"]
["97828596","CCOC(=O)C1=C([NH+]=C2C=CC(=[N+]([O-])O)C=C2)C(=O)N(c2ccc([N+](=O)O)cc2)C1=C(C(=O)OCC)C(=O)OCC"]
["30788358","O=C(O)[C@@H](N=C([O-])c1ccc(-c2cc(F)cc(F)c2)cc1[N+](=O)[O-])C1CCCCC1"]
["174856349","Cc1cc(Nc2nc3ccccc3[nH]c2=NSc2cccc(N)c2)cc([N+](=O)[O-])c1"]
["180847446","C1=C=C2C(=Ic3c(ccc4c3N([C-]3CCCCC5CC5CC3)C3=C[CH-]C=CC3=I4)N2C2CCCCCCCC2)CC=1.[Al].[CH3]"]
["28079898","O=C1/C(=C\\c2ccc(-c3ccccc3)o2)N=C(O)N1C1CCCCCC1"]
["77979006","COc1cc(O)c2c(c1)C=CCC(=O)OCc1cccc(c1)COC(=O)CCCC(C)OC2=O"]
["MCULE-8157967823","Cc1cc(C)c(C2=C(Nc3cc(C)ccc3C)C(=O)N(C3CCCCC3)C2=O)c(C)c1"]
["MCULE-5433694795","COc1cc(Cl)c(C)cc1NC1=C(c2c(C)cc(C)cc2C)C(=O)N(C2CCCCCCCCCCC2)C1=O"]
["MCULE-8499816581","COc1ccc(C)cc1NC1=C(c2ccc(F)c(C)c2)C(=O)N(C2CCCCCCC2)C1=O"]
["MCULE-4991134607","O=C1C(Nc2ccc(Cl)cc2[N+](=O)[O-])=C(c2ccccc2Br)C(=O)N1C1CCCCCCC1"]
["MCULE-9414374292","COc1ccccc1NC1=C(c2cc(F)c(F)cc2F)C(=O)N(C2CCCCCC2)C1=O"]
["MCULE-6411376301","CCOc1ccc(NC2=C(c3ccc(OC(C)C)cc3)C(=O)N(C3CCCCC3)C2=O)c(Br)c1"]
["MCULE-1178640144","O=C1C(Nc2cccc(OC(F)(F)F)c2)=C(c2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCCCC1"]
["MCULE-9437671632","COc1ccc(C2=C(Nc3ccc(I)cc3C)C(=O)N(C3CCCCCC3)C2=O)cc1"]
["MCULE-1517823028","Cc1cc(C)cc(OCCNC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(C3CCCCCC3)C2=O)c1"]
["180454551","C=C1C(C)=C2C3=c4c(n/c(=C\\C)c5c6c7c8c(c45)C2c2c1c1c4c5c(c(C)n[c-]-4[n-]c(=C)c1=C)c1c(c-8c25)C(C(=C)C(=C)C1[I+]C)C7=C(C)C(=C)C6C(=C)C)N=C(C)C3C"]
["199271199","C=C(CN)C(O)=NC1C=C(C)c2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1"]
["195703035","CC1=C2C(=ICCNc3c(N)c(N)c(N)c(N)c32)[C-](N)c2c(N)c(N)c(N)c(N)c21"]
["178593022","C/C=C1\\CC[C@H](NC)c2c3c(nc(/C=C/F)c21)-c1cc(C)c(COC(O)O)c(=O)n1C3"]
["199224586","C=C(C(O)=N[C@H]1C=C(C)c2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1)C(F)(F)F"]
["199224594","[2H]C([2H])=C(C)C(O)=N[C@H]1C=C(C)c2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1"]
["76118745","C=C1N=C2C3=C4C5=C6c7c8c(c9c%10c%11c(nc(c7%10)=CC6N6C=C(C)C(C)=C(CC3C1=C)C46)N=C1N=CC3C4=C1C%11C(=N9)N=C4N=C1N=C4N=C(C)C(C)CC4CC13)CN=C1C=CN2C5C=81"]
["174572261","C=C1C(C)=C(NCC2=CC=CC(CNC(=C)C(/C=C(\\C)C(=C)C)=N\\C(C)=N\\C(=N)NC)=CC2)/C1=C\\C"]
["161311699","Cc1ccc(CSc2nc(O)c3c(n2)N=C2CC(C)(C)CC(O)=C2[C@@H]3c2cccnc2)cc1"]
["176018458","C=C(C)C(=N)O.C=C1CCn2c1c(-c1cnc3ccccc3c1)c1c(N)ncnc12"]
["76463459","C=C1C(=C)N(c2nc(C)c(C)cc2C)C(=C)[N+](C)=C1C"]
["199224592","C=C(C)C(O)=N[C@H]1C=C(C)c2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1"]
["172619188","CCN(CC)C1=C(C)[C-](CC[Si](OC)=[O+]C)C([Si+](C)C)=C(CC[Si-]CNCCC[Si](OC)(OC)OC)C1=[Si](C)C"]
["149994849","CCCCC(CC)COCC(O)CN(CCNCCNCCN(CCN)CC(O)COCCC[Si](OC)(OC)OC)CC(O)COCCC[Si](OC)(OC)OC"]
["168881996","Cn1c(=O)n(C2CCC(O)=NC2=O)c2ccc(CCCOCCOCCOCCNC(=O)O)cc21"]
["25230845","CO[Si](CCCNCCCCCCCCCCNCc1ccccc1)(OC)OC"]
["84994648","CCNCc1c(N(CC)CC(C)CC)nc2sccn12"]
["78154886","CO[Si](CCCN/C=C/NCCC[Si](OC)(OC)OC)(OC)OC"]
["67713071","CO[Si](CCCOCC(O)CNCCN(CCC[Si](OC)(OC)OC)CC(O)COCCC[Si](OC)(OC)OC)(OC)OC"]
["88836582","CCCCNCc1ccc(N(CC)CC)cc1OC"]
["68081209","CO[Si](CCCNCCN(C)C)OC"]
["172950055","CO[Si](CCCNCCN=C1CCCCC1)(OC)OC"]
["171611429","CO[Si](CCCN(C)Cc1[nH]c(-c2ccccc2)nc1C)(OC)OC"]
["44921071","CCCC[N+](CCCC)=c1ccn(CCC[Si](OC)(OC)OC)cc1.[Cl-]"]
["175671060","[B+]=C1C(=[B+])C(=[B+])N2C([O-])=C3[C-]=C[CH-][C-]=C3[C-]2C1=[B+].[B+]=C1C(=[B+])C(=[B+])[C-]2[C-](C1=[B+])[C-]1[CH-]CC[CH-]N1C21n2c(=[B+])c(=[B+])c(=[B+])c3c(=[B+])c(=[B+])[c-]4c(=[B+])c(=[B+])c(=[B+])n1[c-]-4c2=3"]
["175671223","O=C1[n+]2ccccc2-c2cccc[n+]21.[B+]=C1C(=[B+])C(=[B+])N2[C-](C1=[B+])[C-]1[CH-][CH-][CH-][CH-]N1C21[c-]2c(=[B+])c(=[B+])c(=[B+])[c-]3c(=[B+])c(=[B+])c4c(=[B+])c(=[B+])c(=[B+])n1c=4[c-]2-3"]
["175671086","[B+]=C1C(=[B+])C(=[B+])N2C([O-])=C3[C-]=C[CH-][C-]=C3[C-]2C1=[B+].[B+]=C1C(=[B+])c2c3c4c(c(=[B+])c2=[B+])C(=[B+])C(=[B+])C(=[B+])N4C2([C-]3C1=[B+])N1[CH-]CC=c3ccc4c(c31)N2[CH-]CC=4"]
["174068033","[B+]=C1C(=[B+])C(=[B+])[C-]([c-]2[cH-][c-]c3[c-]([cH-]2)[C-]2[CH-]C(=c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4=[B+])C[CH-][C-]2N3C)C(=[B+])C1=[B+]"]
["174137629","[B+]=C1C(=[B+])C(=[B+])[C-](n2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c3c(=C4[C-]=C[CH-][C-]=C4n4c5ccc(C6=CCC[CH-][CH-]6)cc5c5cc([C-]6[CH-][CH-][CH-][CH-][CH-]6)ccc54)c(=[B+])c(=[B+])c(=[B+])c32)C(=[B+])C1=[B+]"]
["175671145","[B+]=C1C(=[B+])C(=[B+])N2[C-](C1=[B+])[C-]1[CH-][CH-][CH-][CH-][C-]1C21n2c(=[B+])c(=[B+])c(=[B+])c3c(=[B+])c(=[B+])[c-]4c(=[B+])c(=[B+])c(=[B+])n1[c-]-4c2=3"]
["175671195","O=C1c2ccccc2-c2cccc[n+]21.[B+]=C1C(=[B+])C(=[B+])N2[C-](C1=[B+])[C-]1[CH-][CH-][CH-][CH-][C-]1C21n2c(=[B+])c(=[B+])c(=[B+])c3c(=[B+])c(=[B+])[c-]4c(=[B+])c(=[B+])c(=[B+])n1[c-]-4c2=3"]
["175671181","[B+]=C1C(=[B+])C(=[B+])N2[C-](C1=[B+])C1=C=CC=[C-]N1[C-]2[O-].[B+]=C1C(=[B+])C(=[B+])N2[C-](C1=[B+])[C-]1[CH-]CC[CH-]N1C21[c-]2c(=[B+])c(=[B+])c(=[B+])[c-]3c(=[B+])c(=[B+])c4c(=[B+])c(=[B+])c(=[B+])n1c=4[c-]2-3"]
["175671215","O=C1[n+]2ccccc2-c2cccc[n+]21.[B+]=C1C(=[B+])C(=[B+])N2[C-](C1=[B+])[C-]1[CH-][CH-][CH-][CH-][C-]1C21n2c(=[B+])c(=[B+])c(=[B+])c3c(=[B+])c(=[B+])[c-]4c(=[B+])c(=[B+])c(=[B+])n1[c-]-4c2=3"]
["175671127","O=c1c2cccc3ccc4ccc[n+]1c4c32.[B+]=C1C(=[B+])c2c3c4c(c(=[B+])c2=[B+])C(=[B+])C(=[B+])C(=[B+])N4C2(C4=[C-]C[CH-][c-]5ccc6c[cH-][cH-]n2c-6c54)[C-]3C1=[B+]"]
["175671163","O=C1[n+]2ccccc2-c2cccc[n+]21.[B+]=C1C(=[B+])C(=[B+])N2[C-](C1=[B+])c1c(c(=[B+])c(=[B+])c(=[B+])c1=[B+])C21C2=[C-]C[CH-][c-]3ccc4c[cH-][cH-]n1c-4c32"]
["175671144","[B+]=C1C(=[B+])C(=[B+])N2[C-](C1=[B+])C1=C=CC=[C-]N1[C-]2[O-].[B+]=C1C(=[B+])C(=[B+])N2[C-](C1=[B+])[C-]1[CH-]CC[CH-][C-]1C21n2c(=[B+])c(=[B+])c(=[B+])c3c(=[B+])c(=[B+])[c-]4c(=[B+])c(=[B+])c(=[B+])n1[c-]-4c2=3"]
["178700321","COC(C([NH3+])CCCC[NH3+])C(C)(CC(C)P(O)C(O)(Cn1cc[nH+]c1)P([O-])(O)=CO)O[N-]ON"]
["19933275","CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(O)=Nc1cc(Cl)ccc1N1CCCCC1"]
["159234817","COC(=O)Cc1cc(N)c(OC)c(OC(F)(F)F)c1"]
["21861174","CCOC(O)=NCCCCCCn1cc[nH+]c1"]
["191200450","CC(CCl)COc1ccc(C(C)(C)c2ccc(OCC(O)CN3CCSCC3)cc2)cc1[123I]"]
["19722384","CC(C)N1C[C@@H](C(O)=NCc2cccc(Cn3cc[nH+]c3)c2)CC1=O"]
["21366785","Cc1cccc(OCCCC(O)=NNC(O)=NCCCn2cc[nH+]c2)c1"]
["21396641","CC(C)N=C(O)Nc1cccc(C(O)=N[C@H](C)Cn2cc[nH+]c2)c1"]
["22002748","CCCCN=C(O)NN=C(O)c1ccc(Cn2cc[nH+]c2)cc1"]
["89026115","CCCCOC(=O)C(C)n1c(=O)ccc2cc(N)ccc21"]
["20542660","COc1cc(CN(C)C(O)=N[C@@H](C)Cn2cc[nH+]c2)ccc1OC(F)F"]
["21574818","CCOc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1F"]
["100286285","c1cc(OP2NPN(CC3CO3)P(CC3CO3)N2CC2CO2)c(CC2CO2)c(CC2CO2)c1CC1CO1"]
["165004162","C=CCN1C(=O)C(Cc2ccccc2C)SC1=N/N=C\\c1ccc(OC)c(OC)c1"]
["152974956","O=c1sc2c(n1C[C@@H]1CO1)SC[C@H]1COc3ccccc3[C@H]21"]
["106992308","Nc1cccc(-c2nc3cccnc3n2C[C@H]2CO2)c1"]
["197165202","Nc1cnn(CC2COCCO2)n1"]
["105828928","O[C@@H](c1ccc2c(c1)CCO2)[C@H]1COCCO1"]
["197304028","CN(C)c1ccc(F)cc1CC1CO1"]
["103279598","COc1ccc(N2C[C@@H](CN)NS2(=O)=O)cc1OC"]
["188904419","O=C(OCCS(=O)(=O)O)c1cccc(OCC2CO2)c1"]
["18626982","CCOC(=O)c1cc(=O)c2c(O)c(C[C@@H]3CO3)cc(C[C@H]3CO3)c2o1"]
["145021959","COc1ccc(C)c(CC2CCCN2)c1Br"]
["104754862","COCc1ccccc1CN[C@H]1COC[C@H]1O"]
["67721586","C[B]c1cc(-c2cc(C)c(C#CC)cc2Br)c(Br)cc1-c1cc(C#CC)c(C#CC)cc1Br"]
["89251315","Cn1c(-c2ccccc2Br)ncc(C#N)c1=O"]
["MCULE-7369350275","Cc1cc(F)c(-c2cc(C)c(C#N)cc2F)c(F)c1"]
["200559137","Cc1cc(N)c(N)cc1C#CCCN=[N+]=[N-]"]
["183761240","Cc1ccc(N=[N+]=[N-])c(C#CCC(C)C)c1"]
["172914661","Cc1cc(C#N)c(-c2cc(Cl)cc(Cl)c2)cc1F"]
["63008279","Cc1ccc(NS(=O)(=O)CCS(C)(=O)=O)cc1C#CCN"]
["136585445","CCCC(C#N)(CCC)N=C(O)c1ccc(C)cc1Br"]
["20740753","Cc1cc(S(=O)(=O)n2cc[nH+]c2C(C)C)c(C)cc1Br"]
["120326028","COc1cc(C)c(C#CCCCCN)cc1C"]
["162774599","Cc1cc(-n2cc(Br)cn2)c(C#N)cn1"]
["179746802","Cc1cc(Cl)ccc1-c1cccc(Br)c1N=C=S"]
["100196948","C=[NH+]C(=O)N([CH2+])C([CH2-])[C-](C)C(=O)OP=S"]
["MCULE-4466124535","COC1CN(C(=O)C(C)Oc2ccccc2-c2ccc(CN(C)C)cc2)C1"]
["33356964","C=[C]C[C-](C(=O)OCC)C(=O)OCC.[Na+]"]
["25384878","C=CC(C)(C)OOC(=O)c1ccc(C(=O)OOC(C)(C)C=C)cc1"]
["98708186","CCC(S)CC(=O)O[Si](OC)(OC)OC"]
["79314157","C=C(C)C(=O)OC(CCCCCCCCCCC)N(CC)CC"]
["161829628","CCCCCCCCC(CP(=O)(OCC)OCC)C(=O)c1ccc(C(C)(C)C)cc1"]
["34372006","COC(=O)c1c(OC)cc2cc(CC=O)c(OC)cc2c1OC"]
["43447884","CCC(C)OC(=O)CN(C)C(=O)C(F)(F)F"]
["91705482","C=P(Cl)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C"]
["80551708","C=C(C)C1CCC2(C)CC(C)(C)C(O)C12C(=O)OCC"]
["100964762","C=CCN(C(=O)C(=C)C)N1CCCC1COC"]
["68118277","N=c1[nH]n2c(=N)[nH]c(N)c2o1"]
["85406363","CC(C)CCC(C)N=c1[nH]c2c(N)cccc2o1"]
["171791637","N=c1nc2[nH]c(n1)o2"]
["49172979","N=c1[nH]c2cc([As]=O)ccc2o1"]
["44200339","Nc1[nH]c(=O)sc1C=C1C=C(O)C=CC1=O"]
["170795339","CC(C)(C)n1cnc2c(=O)oc(=N)[nH]c21"]
["111798036","N=c1[nH]nc(N2CC(O)=Nc3ccccc32)o1"]
["25684054","Cn1[nH]c(=N)ccc1=S"]
["186477047","N=c1[nH][nH]c(N)c1C(O)=NC1CC1"]
["178925070","CN=c1[n-]c(=NC2=CN(CC(F)F)NC2)[nH]c(N)c1C=N"]
["119290594","CC1(C)Cc2oc(=N)[nH]c2C(CCN)C1"]
["65975621","N=c1nc2c(ncn2C2CO[C@@H](CO)O2)c(N)[nH]1"]
["178503722","N=IOOI(O)I=I[O-]"]
["176238587","CCC/C=C/B(O)OCC(C)(C)C"]
["130152509","COCCN(CC(F)F)C(=O)CCN1CCCS1(=O)=O"]
["68140340","N=IC(=O)[O-]"]
["145852826","COCCN(CC(=O)O)C(=O)CCN1CCCS1(=O)=O"]
["90932032","CC(C)(C)COC(=O)C(C)(C(=N)S)C(=O)[O-]"]
["179528778","N=CI=C(O)ON"]
["45944038","CCC(C)N(CCOC)C(CC)C(=N)S"]
["43463161","[O-][Si](O[Si](O)(O)O)(O[Si](O)(O)O)O[Si](O)(O)O"]
["91581331","[O-][Br+]OO"]
["192751787","CI(S)OO.OOI(O)S.[Y]"]
["62842132","N=C([O-])O[C-]=O.[Y]"]
["99749038","[B+]CC1=C=C(O)[C-](O)C[C-]1C[B+]"]
["175597803","CCC1(C2=C=C[C-](O)C(Br)=[C-]2)CC1.[Mn+2]"]
["99580672","[B+]=C1[CH-]N=C=C(O)C1"]
["176179740","[B+]=C1[C-]=C([O-])CC(=[B+])C1N1C(=[B+])C(C(F)(F)F)=C=C[C-]1O"]
["99716724","[B+]=C1C=C=C(O)[C-](O)C1"]
["162918172","CC(C)(N)CC(O)=NC1CON=C1O"]
["48104798","COCCNC1=C(C(=O)OC)CC(NCCOC)=C(C(=O)OC)C1"]
["181477943","OC1=NOCC=C1F"]
["99709989","[B+]C[C@@H]1OCP([O])OC1O"]
["180599506","CC1=C=C(C)C(CCCC(C)(C)C)=C2[N-]CN=C12.[Y].[Y]"]
["185315209","CCc1cccc(CC(CC)CC)c1O"]
["81883251","C=C(C)C(=O)OC(CC)(CC)CO[PH](=O)O"]
["97299395","CC1(C)CC2CC(C)(C)OP23(CCOCCOCCOP24(OCCSCCO3)OC(C)(C)CC2CC(C)(C)O4)O1"]
["92250884","CC12CC3CC(C1)CC(C(=O)C1CCOCC1)(C3)C2"]
["25407897","CCCCCCCCCCCCC1CCOCCOCCOCCOCCO1"]
["196450893","CC1(C)CC2(C)OC(C(Cl)(Cl)Cl)P3(Oc4ccccc4O3)(O1)O2"]
["84865900","CC1(C)C(NC2CCOCC2)C1(C)C"]
["25363604","C1CSCCOCCSCCOCCSCCO1"]
["157993090","C[C@]1([C@@H](N)C2CCOCC2)C[C@@H]1F"]
["97557659","CC1(C)[C@@H]2C[C@@H](N3CCOCC3)[C@](C)(O)C[C@@H]21"]
["68385269","COCCN(CCOC)CC1(CBr)CCOCC1"]
["160324512","CC1CC(C)(C)CC1NC1CS(=O)(=O)CC1N1CCOCC1"]
["60770579","CCCNC1CC(OCC2CCOCC2)C1(C)CC"]
["112625201","CCc1occc1C(NN)C1CCOC2(CCSC2)C1"]
["171788830","[B+]C(CN[N])CN[N-]"]
["4551844","CC[C@H](NS(=O)(=O)CC)c1cccs1"]
["91834543","CCC(CNC(C)COC)N(C)C"]
["97251269","CCNC[C@@H](Br)CC"]
["183829201","[N-]=[N+]=NNNCC(O)O"]
["64319780","CCC(CC)CNC1CCCC1"]
["43305738","CC(C)CCC(C)CNCC(C)C"]
["57175701","CCC(C)CC(C)NC(C)C#N"]
["114142957","CCC(CNCC(C)C)N=C(O)OC(C)(C)C"]
["156424580","CCNC[C@@H](N)[C@@H](C)CC"]
["175002794","CC(=O)CC(=O)[O-].CC(C)C.[Zr]"]
["172048756","[C]#[N+]N[N-].[Pd]"]
["34491983","O=S1(=O)[14CH2][C@H](O)[C@H](O)[14CH2]S1"]
["112329827","N#CCC1CS(=O)(=O)CC1O"]
["110809644","O=CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)C(=O)C1"]
["159103530","C=CC(=N)O.CC1CS1(=O)=O"]
["23366084","[2H]C1([2H])CC(O)CC([2H])([2H])N1C"]
["165847314","CC1C(O)CS(=O)(=O)C1O"]
["62337836","CN(C)[C@@H]1CS(=O)(=O)C[C@H]1O"]
["CSSS06316983920","C[C@@H]1C[C@@H](Nc2nc(Br)cnc2N)C[C@H](C)S1(=O)=O"]
["42045868","[O-]C1SC(CO)C(O)C1O"]
["154177913","O[C@H]1CSSC[C@H](O)CSSC[C@H](O)CSSC[C@@H](O)CSSC1"]
["105171447","CN(Cc1csc(Br)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O"]
["177210055","CCCN(C)C(=O)C1CSC(=O)C1"]
["53197001","[2H]c1c(C([2H])([2H])S(=O)(=O)N([2H])C)c([2H])c2c(CC([2H])([2H])N(C)C)c([2H])n([2H])c2c1[2H]"]
["127683571","CN(C)Cc1cccc(C(O)=NCCOC2CCCCCC2)c1"]
["172393093","CN(C)CCCS(=O)(=O)N1CCC(c2n[nH]c3ccc(-c4cccs4)cc23)CC1"]
["136359153","CCc1cccc(CC(O)=NCc2ccccc2CS(=O)(=O)NC(C)C)c1"]
["127514747","COc1ccc(S(=O)(=O)Nc2cc(CN(C)C)ccn2)c(C)c1"]
["103222424","CCc1cccc2c(C(=O)COC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c[nH]c12"]
["63000936","CNCc1cc(S(=O)(=O)N(C)CC(C)C)ccc1F"]
["205627","CNCC(O)=NS(=O)(=O)c1ccc(CCO)cc1"]
["89532693","CNCCc1cc(Cl)n(S(C)(=O)=O)c1"]
["93087705","CN=c1c(C(=O)OC)c[nH]c2cc3c(cc12)OCCCO3"]
["170963766","CN(C)CCc1cccc2ccc(CS(=O)(=O)C3CNCCO3)cc12"]
["167586166","CS(=O)(=O)NC1CCCC[C@H]1N=c1[nH]c(C2CNc3ncc(Cl)cc32)ncc1F"]
["192478428","CC(C)N1Cc2cn(C(C)C)nc2C1=O.CC(C)N1Cc2nn(C(C)C)cc2C1=O.CC(C)N1Cc2nn(C(C)C)nc2C1=O"]
["125609044","CC(C)c1nc2n(n1)CCCC2N=C(O)c1cnc2sccn2c1=O"]
["53390775","C[C@@H](C(=N)O)N1CCc2cc(O)ccc2C1=O"]
["170669104","CC(C)c1nccc2c1N(C(C)C)CC2"]
["187818445","CC(C)n1cc(I)c(S(=O)(=O)NC(O)=Nc2c(-c3ccnc(OC4CCN(C)CC4)c3)ccc3c2CCC3)n1"]
["108054965","CC(C)n1cc([C@H](O)C2(C(=O)O)CCC2)cn1"]
["MCULE-2322277288","COc1ccccc1N1CCN(C(=O)C(C(C)C)N2Cc3ccccc3C2=O)CC1"]
["170562152","CNS(=O)(=O)c1cc(-c2cc(N=C(C)O)nn2C)cc2c1C(=O)N(C(C)C)C2"]
["187410040","CC(=O)O.CN1Cc2cc(-c3cc(F)ccc3F)ccc2C1=O"]
["157125803","CC(C)N1CC[C@H](N2CCC[C@@H](Cn3ccnn3)C2)C1=O"]
["159683646","CC(C)n1cc2cc(NC(=O)CN3CCCS3(=O)=O)ccc2n1"]
["158558369","CC(C)n1cc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)cn1"]
["171239264","COCCO[Si](=[O+]CCOC)c1cc(=[Si](OCCOC)OCCOC)c([Si-](OCCOC)OCCOC)cc1=[Si](OCCOC)OCCOC"]
["88509471","COCCOCCn1c(=N)[nH]c2cc(OC)c(OC)cc21"]
["123310781","COCCn1c(C)cc(C(=O)CN2CCCC(C)(O)C2)c1C"]
["65092440","COCCn1cc(NC2CC(c3cccc(C)c3)C2)cn1"]
["129973418","COCCCS(=O)(=O)N1CCN(Cn2c(=S)oc3ccccc32)CC1"]
["15920625","COCCn1/c(=N/C(=O)c2ccccc2)sc2cc(OC)c(OC)cc21"]
["113974612","COCCN(c1ccc(CBr)c(C(F)(F)F)c1)C1CC1"]
["MCULE-9360301933","C=CCN1C(=O)C(NCCOC)=C(c2ccc(Cl)c(Cl)c2)C1=O"]
["MCULE-4350039671","COCCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N3CCc4ccccc4C3)ncnc21"]
["22531207","COCCC[NH+]=C1NN=C(c2cc(C)n(Cc3ccco3)c2C)CS1"]
["132705951","COCCC1(C(O)=NC2CCc3cc(Cl)ccc32)CC1"]
["103914005","COCCN/C=C1\\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O"]
["147804855","I/C=C(I)/C=C/C(I)=C(I)/C=C/C(I)=C/I"]
["200511018","O=C(O)/C=C\\C(=O)O.[Ca+2]"]
["83999027","CC(C)=C(C)C(=O)I"]
["63406300","O=C(O)/C=C\\C(=O)O.[Ni]"]
["79538388","C/C=C(\\I)C=O"]
["83093357","CCC(C=O)=CI"]
["76439601","O=C([O-])C=CBr"]
["76737242","O=C([O-])C=CC(=O)[O-].O=C([O-])C=CC(=O)[O-]"]
["178305648","C=C(I)C(=N)ON"]
["52583566","O=C(I)/C=C/c1ccccc1"]
["79553338","O=C([O-])/C(I)=C/I.O=C([O-])/C(I)=C/I.[Zn+2]"]
["187809398","C/C=C/C(I)=NC(C)(C)C"]
["53233778","FC(Cl)(Cl)C(F)(Cl)C(F)(Cl)OC(F)(Cl)C(Cl)(Cl)Cl"]
["53455945","O=C(O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl"]
["88461915","CCNC(COCCC(F)(F)F)C1CC1"]
["43818806","O=C([O-])C(F)(F)Cl.[Na+]"]
["25434338","O=C=NC(Cl)(C(F)(F)F)C(F)(F)F"]
["61292645","[2H]C(Cl)(Cl)C(F)(F)F"]
["195218954","O=P(O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl"]
["170928812","CN(C)S(OC(F)(C(F)(F)F)C(F)(F)Cl)(N(C)C)N(C)C"]
["53222964","FC(F)OC(Cl)C(F)(F)[18F]"]
["79398761","O=S(=O)(C(F)F)S(=O)(=O)C(Cl)(Cl)Cl"]
["83495778","FC(F)(F)C(F)(Cl)Cl.FCC(F)(F)F"]
["47441925","O=C(CCC(=O)OC(F)(F)C(F)(F)P(=O)(O)O)OC(F)(F)C(F)(F)P(=O)([O-])[O-]"]
["173122311","C.C1=C[N-][C-]=S=1.[U+2]"]
["185416059","C1=C[N-]N=S=1"]
["175317148","ClC1=C=C[N-]C(Cl)=C1Cl.[Pd]"]
["176089197","CSc1nc2c(s1)=C(Cl)[N-]C=C=2.[Y]"]
["172047401","C.O=C(F)C1=C=C2[N-][CH-]C=C=C2S1.[Y]"]
["56004058","C1=CC2=C[N-][C-]=CC2=CN=1.CCC.[Y]"]
["62142736","C1=CC=C=S=1.[Hg].[Hg]"]
["51710120","CC1=C[N-]C=C=C1.[Br-].[Zn+2]"]
["147858004","B1C=C=C[N-]1"]
["175548633","ClC1=C=CN=C(Cl)[N-]1.[Ru+]"]
["173065133","C.CC1=C=S=[C-][CH-]C1C.[W+2]"]
["174560236","C1=C[CH-][C-]=S=1.[V].[W]"]
["172819523","FC(F)C(F)(F)Oc1cccc(OC2(F)C(F)(F)C(F)(F)C2(F)C2=CC=CC(OC3(C4(F)C(F)(F)C(F)(F)C4(F)Oc4cccc(OC(F)(F)C(F)F)c4)C=CC=C(C4(F)C(F)(F)C(F)(F)C4(F)Oc4cccc(OC(F)(F)C(F)F)c4)C3)(C3(F)C(F)(F)C(F)(F)C3(F)Oc3cccc(OC(F)(F)C(F)F)c3)C2)c1"]
["148710713","COc1ccc2c(c1)cc1n2C(=O)CN(C[C@H](Cc2ccccc2)NCc2cccc(OC(F)(F)F)c2)C1=O"]
["MCULE-3090858365","Cc1c[nH]cc(-c2cccc(OC(F)(F)F)c2)c1=NC(=O)C1CCN(C(C)C)CC1"]
["192214315","CC(C)(C)[S@@](=O)N=Cc1cccc(OC(F)(F)F)c1.CCOC(=O)CBr.CCOC(=O)C[C@H](N[S@](=O)C(C)(C)C)c1cccc(OC(F)(F)F)c1"]
["25384372","CN(C)c1occ(O)c1-c1cccc(OC(F)(F)F)c1"]
["172522813","CN(C)/C=C/C(=O)C1=CC=CN(c2cccc(OC(F)(F)F)c2)N1"]
["70030237","O=C(O)c1ccc(C(Cc2ccccc2)(N=C(O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(OC(F)(F)C(F)F)c2)cc1"]
["59710943","N=C(O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1"]
["191232235","N#Cc1cc(CN2CC3C(C[N-]Cc4cccc(OC(F)(F)F)c4)C3C2)ccc1F"]
["MCULE-7059676320","Cc1nn(CC(O)=Nc2nncs2)c(C)c1-c1cccc(OC(F)(F)F)c1"]
["31684018","CN(C)C(=O)CN1CCC2(CC1)CC(N=c1[nH]n3cc(-c4cccc(OC(F)(F)F)c4)nc3s1)C2"]
["MCULE-3989758050","Cc1cc(C(=O)N2CCS(=O)(=O)CC2)ncc1-c1cccc(OC(F)(F)F)c1"]
["177143456","FC1C(F)C(F)C(CC(SCl)(C2C(F)C(F)C(F)C(F)C2F)C2C(F)C(F)C(F)C(F)C2F)C(F)C1F"]
["181871488","N#CN1CN(c2c(Cl)cc(Br)cc2Cl)C=CC1SC(F)(F)F"]
["42773915","FC1C(F)C(F)C(C2C(F)C(F)C(F)C(F)C2F)C(F)C1F"]
["74160111","[CH2]CC1C(F)C1F"]
["173966168","FCC1C(F)C1F"]
["179249281","CCC(C)(C)CC1CCC(N)C1"]
["175074665","OCC1C(O)C1F"]
["78153102","CCO[SiH](CC1C(F)C1F)OCC"]
["33791887","FC1C(F)C(F)N(C2C(F)C(F)C(C(F)(F)F)C(F)C2F)C(F)C1F"]
["182470953","CCC1C(F)C(F)C(F)C(F)C1ON=[N+]=[N-]"]
["32437542","FC1C(F)C(F)C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)C1F"]
["167527162","FC1C(F)C1CP(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F"]
["69551039","NS(=O)(=O)c1cc2c(cc1Cl)N(CNS(=O)(=O)c1cc3c(cc1Cl)N=CNS3(=O)=O)C=NS2(=O)=O"]
["48943110","CCn1c(SCC(O)=Nc2ccc(OC(F)F)c(Cl)c2)nc2cc(S(N)(=O)=O)ccc21"]
["91750901","CCc1cc(NS(=O)(=O)c2ccc(C)cc2Br)n[nH]1"]
["140770895","NS(=O)(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl"]
["117547903","Cn1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1"]
["57742563","Cc1cc(C(=O)OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc(S(N)(=O)=O)c1C"]
["114106352","C[C@H](O)CNS(=O)(=O)c1cc(N)cc(Br)c1F"]
["100339898","Cc1cc(S(=O)(=O)NCc2ccnc(-c3cccnc3)c2)c(Cl)cc1Cl"]
["169942083","C/C(NC(=N)C(C)C)=C(N)\\C=C1/C(=N)NCCN1Cc1c(Cl)ccc(F)c1C"]
["144471191","CC(C#N)CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1"]
["88340120","Nc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1"]
["194621250","CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=N)N)c2)C1"]
["175183697","C#CC(=C)C(O)C1c2c(O)c3c(c(SN4CCCCC4)c2CCN1C#N)OCO3"]
["70539297","C=CCOC(=O)N1C2Cc3cc(C)c(OC)c(OCC=C)c3C1C(C=O)N(C(COC(C)=O)c1cc(OCOC)c(C)c3c1OCO3)C2C#N"]
["173794527","C=C(CN1CCCCC1)Nc1cc2cc(C3OC(C)(C)C3(C)C)ccc2cn1.CC.CC"]
["68035093","Cc1cc2c(c(O)c1C)[C@H]1C3Cc4c(O)c(C)c5c(c4[C@H](CN=C(O)CCc4ccccc4)N3[C@@H](C#N)[C@@H](C2)N1C)OCO5.[Ac]"]
["193706203","Cc1cc2c(c(O)c1C)[C@@H]1C3[C@@H]4SC[C@@H](C)C(=O)OC[C@@H](c5c6c(c(C)c(O)c54)OCO6)N3[C@@H](C#N)[C@H](C2)N1C"]
["29369893","CC(C)OC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1C#N"]
["178071637","CSc1ncc(C#N)c(N2CCOC(C(=O)N3CCCCC3)C2)n1"]
["160397879","Cc1nc(C#N)c(N2CCC(C(O)=NC(C)C3CCCCC3)CC2)o1"]
["190574357","C/C=C/C(O)=N[C@@H](C)C(O)=NC[C@H]1c2c(c(O)c(C)c3c2OCO3)CC2[C@H]3c4c(cc(C)c(C)c4O)C[C@@H]([C@H](C#N)N21)N3C"]
["164793788","Cc1cc2c(cc1/C=C(/C#N)C(=O)N1CCOCC1)C(C)CC(C)(C)N2C(C)C"]
["106775297","CC(C)Cc1ccc([C@@H]2c3c(O)nc(N4CCCCC4)nc3N=C(O)[C@H]2C#N)cc1"]
["165623775","CC(=O)c1ccc(C#N)c(N2CCC(N3CCCC3)C2)c1"]
["177386808","C1=C[N+]2=CCSC2=C1.[Br-]"]
["20273865","[H]/N=C1\\SCC=C1C(=N)O"]
["173030649","CC1=CC=CCC1.I"]
["171958103","COc1ncc(C2(O)CC3CCCC(C2)S3)cn1"]
["26068397","O=C(O)NC1=CC=CCS1"]
["23674315","Cc1[c]scc1.[Br-].[Mg+]"]
["161435697","NC1=C(C(F)(F)F)C=CCS1"]
["14765933","O=C(SC1=NCCS1)c1cccc(Cl)c1"]
["175437182","O=[C-]C1=C=CCS1.[Cu].[O]"]
["174394818","CC.CC.CC1=CC=CCS1"]
["175316177","CC1=C(C)SCC=C1"]
["175102481","C1=CC2=CC=C[N+]2=C1.O=S([O-])OS(=O)(=O)OS(=O)(=O)[O-]"]
["170528818","[C-]#[N+]/C(c1c(C#N)nc(C#N)nc1[N+]#[C-])=c1/ccc2c3cc/c(=C(\\C#N)c4c(C#N)nc([N+]#[C-])nc4C#N)nc3c3ccoc3c2n1"]
["145509044","C=C1C=C(F)[CH]C(Nc2ncc(F)c(-c3ccc(F)c4ccoc34)n2)=C1"]
["54160839","N#Cc1nc2nc3cc(C(=O)c4ccccc4)ccn3c2nc1C#N"]
["88134303","CCCc1cc(-c2ccco2)c2c(N)c(C#N)sc2n1"]
["172104792","[C-]#[N+]c1nc(C#N)nc(-c2cccc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)c2)n1"]
["174033641","CC.COc1cc(O)cc(/C=C/C(=O)c2c(O)c(OC)c3occc3c2OC)c1"]
["140390987","N#CC=C(c1ccccc1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1"]
["190838172","N#CC(=C1N=c2ccccc2=N1)c1nc(Cl)nc(-c2ccc3c(c2C#N)=N/C(=C(\\C#N)c2c(F)c(F)c(C#N)c(F)c2F)N=3)n1.[C-]#[N+]/C(=C1/N=c2ccc(B3OC(C)(C)C(C)(C)O3)c([N+]#[C-])c2=N1)c1c(F)c(F)c(C#N)c(F)c1F.[C-]#[N+]c1c(Br)ccc2nc(C([N+]#[C-])c3c(F)c(F)c(C#N)c(F)c3F)[nH]c12"]
["63746053","[C-]#[N+]c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c(OCc2ccncc2)nc1C#N"]
["144948037","Fc1cc(F)c2ccoc2c1CN1CCNCC1"]
["188171870","Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2nc(C3=CCC(O)CC3)c3occc3c2n1"]
["98631531","NC(=O)c1cc(CCOc2nnc(Nc3ccc4c(c3)CCO4)c3ccoc23)ccn1"]
["161834131","[Si-]#[Si][Si+]=[N+]=C=[N+]=[Si-][Si]#[Si-]"]
["61968937","O[Si+][Si]#[Si-]"]
["51168728","[Si+]#[Si][Si-]=[Si]=[Si+][Si]#[Si-]"]
["91096182","[Si+]=[Si]([Si-])[Si+][Si]#[Si-]"]
["51948597","C[Si+][Si]#[Si-]"]
["161830809","[Si+]#[Si][Si+]=c1ccc(=[Si-][Si]#[Si-])cc1"]
["91500258","[Si-]#[Si][Si](Cl)=[Si]=[Si+]Cl"]
["173909841","O=C=NCCC[Si+][Si]#[Si-]"]
["67392062","[Si-]#[Si][Si+]=[Si](Cl)Cl"]
["171573196","N#C[Si+][Si]#[Si-]"]
["172314582","O=P([O-])(O)C[Si+][Si]#[Si-].[Na+]"]
["91362748","[Si-]#[Si][Si+][Si](Cl)(Cl)[Si](Cl)(Cl)Cl"]
["83536061","CC1=C(C)[Se]C(=C2[Se]C(C)=C(C)[Se+]2)[Se]1"]
["158101270","Cc1cocc1C1=C[C@@H](Cl)CC1"]
["91128044","CC1=C(C)[Se]C(=CC=O)[Se]1"]
["47085568","CC1=C(C)[Se]C(=C2CC(c3ccccc3)SC(c3ccccc3)C2)[Se]1"]
["101057821","CC1=C(C)[GeH2]O1"]
["167247393","Cc1[se]c[se+]c1C"]
["101068821","CSC1=C(SC)[Se]C(=C2[Se]C(SC)=C(SC)[Se]2)[Se]1"]
["56954520","CC1=Nn2nc(C)nc2C1"]
["84791433","CCCN=C(O)CCn1c(C(C)Cl)nc2c(C)nn(C)c21"]
["184856530","Cc1c(C)c(S)c(C)c(C)c1[OH2+].F[P-](F)(F)(F)(F)F"]
["152002376","Cc1ccc2nc(C(C)(C)C)cc(Br)c2c1"]
["170456412","Cc1nc(C)c(Br)c(C=O)c1Br"]
["25366545","ClC1=[C+]CC(=[C-]CC(Cl)CC(Cl)(Cl)Cl)C(Cl)=C1CC(Cl)CC(Cl)(Cl)Cl"]
["164027566","CC(O)(CC(Cl)Cc1ccccc1)C(Cl)Cl"]
["57306537","CC[C@H](C)N=C(O)C1=C(Cl)C2=N[C@@H](c3ccc(Cl)cc3)C[C@H](C(F)(F)F)N2N1"]
["192378093","Cl.ClC(Cl)CC(Cl)(Cl)Cl.FC(F)CC(F)(F)F"]
["162081852","NC(CC(F)(F)F)c1ncc(Cl)cc1Br"]
["112318773","CC(C)S(=O)(=O)c1ccc(CC(=O)O)cc1Cl"]
["93063286","Clc1ccc(CC(Cl)CC2CCCCCC2)cc1"]
["51543017","NC(Cc1ccc(I)cc1)Cc1c(F)cccc1Cl"]
["74194066","FC(F)(F)C(F)(C1=CC(CC(Cl)(Cl)Cl)=C=C2CCCC[C]21)C(F)(F)F"]
["63927413","CC(=O)C(C(=O)O)C(C)(C)C(Cl)CC(Cl)(Cl)Cl"]
["93852816","CC(C)(C)C(=O)C(Br)Cc1c(F)cccc1Cl"]
["65471798","FC(F)(F)CC(Cl)c1ccc2c(c1)COC2"]
["73704698","[N]=C=C1C(=N)C(Br)=C(Br)C(Br)=C1Br"]
["88984442","Cn1cc(C#N)c(C(=N)O)c1"]
["120809898","COc1c(C)c(C)c(Br)c(C)c1-c1cc(C#N)nn1C"]
["171007014","CC(=O)c1cc(Br)c(C#N)c(Br)c1"]
["158021926","CN1C(O)=NC(=N)[C@]1(C)C1CCC1"]
["174712942","CC.CN1CCc2cc(Br)ccc21.CO"]
["111304621","Cc1cc(=N)[nH]n1-c1cc([N+](=O)[O-])ccc1Br"]
["197176050","N#CCCCCn1cc[nH]c1=N"]
["163335197","N#Cc1sc(=N)[nH]c1Br"]
["172977573","Cc1ccc(Br)c(C)c1N/N=C(\\C#N)C(=N)N"]
["154648143","N=C1C(Br)=CS/C1=C(/N)Cl"]
["175778425","N[C-]=Cc1[nH][c-]c(Br)c1N.[W].[Y]"]
["194568797","[Zn+2].c1cnc2c(c1)sc1cccc(-c3cnc[n-]3)c12.c1cnc2c(c1)sc1cccc(-c3ncc[n-]3)c12"]
["25876345","O=C(O)c1ncsc1-c1cccc(Cl)c1Cl"]
["135025439","CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1cccc2cccnc12"]
["65386003","Cc1[nH]c(=N)sc1SCc1cccc2cccnc12"]
["MCULE-4038381420","Cc1cc(-c2cccc3cccnc23)cc(C)c1N=C(O)CCc1cccnc1"]
["92304853","CC1CCC(NCc2ccc(Br)c3cccnc23)CC1"]
["173568828","C1=C(c2nc3c(-c4ccccn4)cccc3s2)C=[C-]C2C=1N(c1[c-]c(-c3ccccn3)ccc1)c1ccccc12.[Pt+2]"]
["MCULE-1634569861","CCCCNC(=O)c1ccc(-c2cccc3cccnc23)cn1"]
["170718316","CCOC(=O)c1c(NCc2ccc(OC)cc2)sc2cccnc12"]
["171401066","C=Cc1cccc2sc3cccc(-c4ccccc4)c3c(=O)c12"]
["10970675","COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C(C)C)cccc3s2)cc1OC"]
["88534084","CC1(C)CC(Nc2ccc(N)c3cccnc23)CCO1"]
["25750744","C=[N+]1C=C[C]2SC=CC2=C1"]
["25574389","C1=CC2=C[C]2S1"]
["53799478","CC1=C[C]2C=CSC2=C1"]
["179479372","C=[N+]1C=C(C)C=CC1=O"]
["81150017","C=N/C=C1/NC=CS1"]
["57902674","CNC(C)C1=CS/C(=C2\\C=CC(=O)C(Cl)=C2)N1"]
["170179443","C=[N+]=C1C=CSC1=C(c1ccc2ccccc2c1C)N(C)C"]
["26985241","C1=CS[C]2SC=CC=12"]
["100690232","FC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)s5)s4)s3)s2)s1"]
["25965425","C1=CSc2cccc3ccn(c23)C1"]
["175971283","C=[N+]1C=C(C2=CCNCC2)C=CC1"]
["25602982","C=[N+]1[CH]C=Cc2sccc21"]
["198129615","[2H]OON1I(P)[I-]1([3H])[3H]"]
["61366103","[2H]ON[3H]"]
["94490868","CCn1c(CO)nnc1COC(C)C"]
["174932699","COPC(N=CO)POC"]
["63624499","[2H]OOOP"]
["200524041","ON=C[C@H](O)C/C=N\\O"]
["166827927","C=C(/C=C\\C)C(N)COC"]
["78728343","CC(O)=NC(COP)(COP)COP"]
["185006691","[2H][C@H](C([3H])=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O"]
["178915671","NC(CO)COCO"]
["51710947","[2H]OOC=[O+][2H]"]
["170867655","CC(C)(C)OC[C@@H](N)C(O)O"]
["179458410","CCOCC=C=c1ccc(=C2[N-]C(=C3C=CC([NH2+]C)C=C3)C(=C3C=CC(=I4(CC)CCCC4)C=C3)N2)cc1"]
["91316204","CCOC[N+](C)(C)C1CCCCC1"]
["133877544","CCOCC1CCCN(Cc2csc3ccccc23)C1"]
["166210945","CCOc1ccccc1C1=CC(=C2C=CC(=O)C=C2)NC(NCCCN2CCCCC2C)=C1"]
["114047016","CCOCCN=C1NCC(CC(C)C)S1"]
["182082516","CCOC[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@]1(C)N2C"]
["52300274","CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2)cc1"]
["16292784","CCOC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1"]
["82750532","CCC1=C2C=CC(CC)(N2)C(CC)=C2C=CC(CC)(N2)C(CC)=C2NC(CC)(C=C2[N+](=O)[O-])C(CC)=C2C=CC1(CC)N2"]
["107597271","CCOc1cc(C)c(C(=O)[C@@H]2CCCNC2)c(C)c1C"]
["126988901","CCOCCCC(O)=NCC1CCCc2cc(OC)ccc21"]
["99427947","CCOc1ccc(/C(=C\\C=C\\C(O)=Nc2cccc3c2CC(O)CN3)c2ccc(C)cc2)cc1"]
["51004404","CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H]([B]N=C(S)OC[Si](C)(C)C)C(OC(=S)OC[Si](C)(C)C)[C@H]2O[Si](C(C)C)(C(C)C)O1"]
["172912198","CO[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]2C1O"]
["99184954","CC(C)C[Si]1(CC(C)C)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@](C)(O)[C@@H]2O[Si](CC(C)C)(CC(C)C)O1"]
["34287867","CC(=O)O[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1ccnc1[N+](=O)[O-]"]
["184360655","CC(C(=O)OCC(=O)OC1COC(=O)C1)C(C)C(F)(F)F"]
["76971776","C=NC1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OCC2OC1N1CCC(O)=NC1=O"]
["179348017","CC(C)CNC[C@@H](O)CN=C(O)O[C@H]1CO[C@H]2OCC[C@H]21"]
["133868729","CC(O)=NCCCCCC(=O)OC1CCC(C)C(C)C1"]
["MCULE-5107452774","CC(C)[C@H](C(O)=N[C@H]1CON=C1O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["69743100","CC(C)[Si]1(C(C)C)OCC2OC(N3CC(C(O)=NCCN=C(O)C(F)(F)F)C(O)=NC3=O)CC2O[Si](C(C)C)(C(C)C)O1"]
["151173779","CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1"]
["81355283","COC1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OCC2OC1n1ccc(N=C(C)O)nc1=O"]
["187991082","N[SiH2]N[SiH2]N(N)[SiH2]Cl"]
["181533561","NN(C(=O)C(=O)Nc1ccccc1)C1CCCCC1"]
["79199018","NN(C(=O)O)C(=O)Cl"]
["74675996","NN(C(=[NH2+])Nc1c(Cl)cccc1Cl)[C-]1CCCCC1"]
["181967983","NNN(N)C1CCC1"]
["183424469","N=C(N)NN(N)NC(=N)O"]
["79316647","N=C(NN)N(N)O"]
["195681192","NN([O-])c1cccc(N(N)[O-])c1"]
["193513299","CCN(CC)C(=O)O.CCNC"]
["43806120","N=C(NN)N(N)N.[B-]"]
["51470501","CCN(CC(=O)OC)c1ccc(S(=O)(=O)CC)cc1"]
["172896357","C[Si](C)(C)N([SiH2]Cl)[Si](C)(C)C"]
["100440271","C1=C(CCC2=C=c3nn[nH]c3=C[CH-]2)C=[C+]C2N=NNC=12"]
["121559058","Cc1nnc(C(C)OC(=O)C2COc3ccccc3C2)o1"]
["125020245","OC(CN=C(O)NC1CCCCC1)=Nc1ccc2nn[nH]c2c1"]
["154754399","CCS(=O)(=O)C1CCN(Cc2c[nH]nc2C(C)(C)C)CC1"]
["144234317","Nn1c(SCc2ccon2)nnc1-c1n[nH]c2c1CCC2"]
["177413025","CCCn1cc(CNc2ccc3nn[nH]c3c2)c(C)n1"]
["80704181","CCC1N=C(O)CC(CSc2nnc(CCc3cnn(C)c3C)n2CC)N1"]
["136056974","OC(CC1CCC(C(F)(F)F)CC1)=Nc1ccc2nn[nH]c2c1"]
["73827862","CCCCS(=O)(=O)N1CCc2c(-c3nc4cc(C)c(C)cc4[nH]3)n[nH]c2C1"]
["134999014","Cc1n[nH]c(C)c1C1CCCN1C(O)=NCC(CC(C)C)N1CCOCC1"]
["87980878","c1nnc2sc(CN3CCNCC3)nn12"]
["168084396","O=C(O)c1[nH]nnc1C1CCCN1C(=O)C1COc2ccccc2C1"]
["173831555","CC1([B+]C(C)(C)/C2=C/C=C\\C(C)([B+]/C3=C\\C=C/C(C)(C(C)(C)[B]/C4=C\\[C-]=CCC=[C-]C4)/C=C\\C3)/C=C\\C2)C=CCCC=C1"]
["171021314","CC(C)C1(c2cc(Cl)c(O)c(Cl)c2)C=CC=C(C(C)(C)c2cc(Cl)c(O)c(Cl)c2)C1"]
["149650576","C=CCC=CCC(C)(C)SCNC(C)(CN)CC(NC)C1=CC(Cl)=CCC=CC1"]
["78390282","Cc1cccc(C(C)(C)C2=CC=CC2)c1C"]
["78121370","CCC(C1=CC=CC1)(C1=CC=CC1)[SiH](OC)OC"]
["185964668","C=C=CC/C(BC(C)(C)C1(C)C=CC=C(BC2(C)/C=C\\C=C(\\C(C)(C)BC3(C)C=CC=CC=C3)C/C=C\\2)C=C1)=C\\C=C/C"]
["MCULE-1660404418","Cc1ccc(-c2nc(Nc3cc(Cl)c(O)c(Cl)c3)cc(N3CCCC(Oc4ccccc4)C3)n2)cc1"]
["34413974","Cc1cncc(-c2cncc(COc3ncc(C)nc3-c3cncc(CCl)n3)n2)n1"]
["181786177","CCCCCCCC(O)=Nc1c(N=C(O)C(C)C)c(N=C(C)O)c(C(=O)N(N=[N+]=[N-])N=C(O)C(C)(C)C)c(N)c1C(=O)C1(N=C(O)C23CC4CC(CC(C4)C2)C3)C=CC=CN1"]
["166828959","C=CN(/C=C/C(=C\\C)CCC)C1=CC=C(C2=C\\CCC=CC/C=C\\2C(F)(F)F)C=C=C1"]
["98201514","CNC1OC1C1(C)C=CC=C(OC(N)C2(C)C=CC=C(C(C)(C)C)C=C2)C=C1"]
["75768032","CC1=CC=CC(CCl)(C(=O)Cl)C1"]
["183648643","SC[Se][Se][Se]S"]
["25623673","SCC(CS)(CS)CS"]
["7589219","SCc1ccc(CS)cc1"]
["79488271","SC[Se][Se][Se]C1CCCCC(CS)CC1"]
["169909824","C=P(C)(C)CS"]
["110903619","SCC[Se]S"]
["175432063","SCS(CS)(CS)CS"]
["51523908","CCCCCc1c(CS)c(CCCCC)c(CCCCC)c(CCCCC)c1CCCCC"]
["173622774","O[Si]CS"]
["54166579","NP[Se]S"]
["178692171","NC[C@H](CS)NC/C(N)=C/S"]
["47921241","NC(Cl)CS"]
["97659883","C[Si](C)(C)NB1[N]B(Cl)[N]B(Cl)[N]1"]
["100854237","C[Si](C)(C)N[PH](Cl)(Cl)Cl"]
["68496255","C[Si](C)(C)NB(OB(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C"]
["176685773","CO[Si](CCCNCCN)CO[Si](C)(C)C"]
["48212568","Cc1ccc(CNCc2cnco2)cc1"]
["25132323","C[Si](C)(C)NC(O)=NC(=N)O"]
["56370987","CN(C)[Si](Cl)(N[Si](C)(C)C)N[Si](C)(C)C"]
["177017650","Cc1ccc(CNCc2ccncc2)s1.Cl.Cl"]
["79019596","C[Si](C)(C)NN"]
["32438879","C[Si](C)(Cl)/C=C/[Si](C)(C)Cl"]
["183947357","CC(C)N[Si](Cl)(Cl)[Si](C)(C)C"]
["99396142","C[Si](C)(C)N[Si](C)(C)C.N[Si]"]
["102932620","C/C=C1\\CN2CC[C@]34C5=CC=C[CH+]C5=[N+]5[C@@H]6O[C@H]([C@H]([C@H]53)[C@H]1C[C@H]24)N1c2ccccc2[C@]23CC[N+]4([O-])C/C(=C\\C)[C@H](C[C@@H]24)[C@H]6[C@H]13"]
["173554244","C#Cc1sc2cc(N3c4ccccc4C4(C)CCCCC34C)ccc2c1/C=C\\C/C=C(\\C#N)C(=O)O"]
["175887725","COC1(CC=O)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21"]
["171666859","CC=C1CN2[C@H]3CC45c6ccccc6N[C@@]4(O3)[C@H]2C[C@@H]1C5C(=O)OC"]
["14583381","Cc1ccccc1C1(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1"]
["308332","CN1C(=O)C2(CCN(S(=O)(=O)C[C@]34CCC(CC3=O)C4(C)C)CC2)c2ccccc21"]
["194999451","O=C1CC=C2[C@@H]3N1c1ccccc1[C@@]31CCNC/C(=C/CO)[C@]2(O)CC1=O"]
["195001041","CCC12C3OC(C(=O)OC)(C4N(C)c5ccccc5C45CCN(CC3O)C51)C2OC(C)=O"]
["173617173","CC(O)(c1cn(-c2ccccc2F)nn1)c1ccc(C(N)=NC=[NH2+])[nH]1"]
["22856249","O=C1CSC2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1cccc(F)c1"]
["1725315","CN1C(=O)[C@@]2(SCC(=O)N2c2ccc(Br)cc2)c2ccccc21"]
["34044985","CC(C)(C)c1ccc(S(=O)(=O)O[C@@H]2C[C@]3(N4CCCCC4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)cc1"]
["96539797","[C-]1=C[CH+]C2C=C[CH+]C12"]
["110907221","[Al].[CH-]=C[C@H]1C=C[CH+]C1.[HH]"]
["122792543","OC(=NCC1(C(O)c2ccccc2)CC1)c1cccc(Cl)c1Cl"]
["162832902","O=C1C=C[C@@H]2CCC[C@@H]2C(=O)C1"]
["168158278","[O-]/[N+](=N\\O)c1cccc(Cl)c1Cl"]
["79619696","CC1[C-]=C[CH+]C=N1"]
["79099016","[C-]1=NC2C=NC=CC2[CH+]N1"]
["189804919","N/N=C1\\N=CC=C2SC=CC21"]
["171971886","F[B-](F)(F)C1=[N+]=CC=C[CH+]1"]
["145629778","O=C(CF)c1cccc(Cl)c1Cl"]
["76213069","C1=CCC2CNC=CC2[CH+]1.[I-]"]
["100850645","CC(C)=C1[CH][CH+]C2C=CC12"]
["96573543","CC1(C)[CH]C(C)(C)[CH-]C(C)(C)[CH+]1"]
["149842972","C=C(C#Cc1cc2c(cc1C=O)C(C)(C)C(C)(C)C2(C)C)C=C(C)C=C(C)C"]
["185056053","CC1C(N)=CC=CC1(N)N"]
["1101785","CC1(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc1[nH]2"]
["91658823","CC12NC(C)(N1)C1(C)NC2(C)N1"]
["18678812","CC[C@]1(C)C(=O)N(Cl)C(=O)N1Cl"]
["175919626","FC1(F)C=N[As]=C1"]
["75449859","CC1(C(=S)S)N=CC=N1"]
["179750624","CC1=CC[C@]1(C)N"]
["79377162","[CH2]CC1(C)C=C1"]
["79849956","[CH2]C1C(C)C1(C)C"]
["29663639","C/C1=C2\\C=CC(C)(N2)/C(C)=C2/C=CC(C)(N2)/C(C)=C2/C=CC(C)(N2)/C(C)=C2/C=CC1(C)N2"]
["171687194","O=S(=O)=C1NCC2=C1CNC2"]
["176685782","Cl.Cl.O=S1(=O)c2ccc(cc2)CNCc2ccc1cc2"]
["94361121","CC(CCS(C)=O)N=C1NC(C)CS1"]
["67973852","c1ccc2c(c1)CC1=C2CNC1"]
["82540083","O=C1C(=C2CCCCN2)CNCC1=C1CCCCN1"]
["74057556","O=S(=O)=C1CN=NN1"]
["170764684","CC.CC.CN1CCC2=C(CNC2)C1"]
["171364418","O=S(=O)=C1CC=C(Br)S1"]
["145767126","O=S(=O)=C1C2CCC2C(=S(=O)=O)S1(=O)=O"]
["162895679","CC(C)S(=O)NC1CNC1"]
["100255832","N=C1CNCC(=N)N1"]
["88102191","Cn1c2c(n(C)c1=O)CNC2"]
["173553402","NC(=C(Br)C(=O)C1CC1)C1CC1"]
["127721445","Cn1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(-c2ccccc2Cl)n1"]
["183764128","CC1CCC1(C)OC(=O)C(=O)O"]
["158208554","O=C(C1CCC(O)CC1)N1CC(O)(C2CC2)C1"]
["111912992","O=C(O)C1CCC(N2C(=O)C3CCC(C3)C2=O)C1"]
["163892194","O=C(O)N1CC2CCC(C2)C1"]
["91770488","NCC1CCC(C(=O)c2ccccc2Cl)CC1"]
["77439267","CC(=CC([O-])=NC1CC1)C(=O)O"]
["157214484","C[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C(=N)O)C1"]
["183150631","O=C(O)C1CCCCCOCC1"]
["165933049","O=C(Nc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1)C1CC1"]
["68179961","O=C(O)C1C[C@@H]2C[C@@H]2C1"]
["178770314","[CH2-][C-](C)I(C)[C@H](C)[C@H](C[C@H](C)[C-]1[N-]C(C(CC)CCC[C@@H](C)NC)[I+]NO1)[I+](F)(F)F"]
["66411700","CCC(C[Si](C)(C)C)C1C(=O)OC(=O)C1CC(CC(C)C(COC(=O)CC(=O)O)OO)C(OO)C1(C)CCOC(=O)C1"]
["104001658","CCN(CC)CCC[C@H](C)Nc1ncnc2c1[C@@H](c1ccccc1)C(C)(C)O2"]
["128932513","CCC(CC)C1CC(NC(C)COC)CCO1"]
["79193206","[C]#CC(C)CCCC(C)CCCC(C)CCCC(C)NC"]
["49833431","CCCCN(C)CCCCC(C)NC"]
["93071945","CCC(CCO)NC(C)CCCC(C)C"]
["114556899","CCC(C)c1ccc(OCCC(C)NC)cc1"]
["43199869","CNC(Cc1ccc(C(C)C)cc1)C1CCCOC1"]
["114653330","CNC(C)CCCCS(=O)CCC(C)C"]
["170844164","C=CC(CCCCCCC)CC(C)NC"]
["78628349","CCCCC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)c1c(Cl)cccc1Cl"]
["176238557","C.[B+]/C([C-]=C)=C(/[C]=C)N([O-])[O-].[Pr]"]
["172306091","C=C=C[C-]=[O+]C(C)=O.[In]"]
["189964650","C=[C-]C(=O)[O-].[Ba+2]"]
["79958876","C=[C-][C]([CH2-])C.[Li+].[Li+]"]
["158445348","C=C=C.OB(O)O"]
["174013213","[B+]=C([C-]=C)c1ccccc1"]
["180682423","C=C=[N+]1C2=C=C21"]
["63418600","C=C=C(C)P"]
["195815573","C=CN/C(N)=C(\\N)N(C)[O-]"]
["79951783","C=[C-]C(=C)[CH+]N"]
["26601714","C=C=[C-]CCCC#C[CH2+]"]
["175115867","CC.[B+]=C1CC(=N/C([C-]=C)=C/C=C\\C)NN1"]
["74709275","[c-]1[nH]ccc2[o+]ccc1-2"]
["57589724","CC(C(=O)O)(C(=O)O)c1ccc[nH]1"]
["MCULE-9888547722","CC(C)n1cc(F)c(=N)[nH]1"]
["113048516","Cc1cc(=NCCCC(C)CN)cc[nH]1"]
["32563097","O=C(CC(CC(=O)c1ccccc1)CC(=O)c1ccccc1)c1ccccc1"]
["75597899","[C-]1=[O+]Cc2ccccc2O1"]
["51992033","O=c1cc[nH]n1Cn1[nH]ccc1=O"]
["196428651","O=S1(=O)CCCC1C(Cl)c1ccc(Cl)s1"]
["185712436","O=S(=O)(O)c1[c-][nH]cc1"]
["51379816","Cc1cc[o+]c(C)c1"]
["86266119","N#CCN(CC#N)c1cc[nH]c(=N)n1"]
["79392840","Cc1[nH]ccp1"]
["171688014","S=P12COc3c1c2c1c2c3P12=S"]
["43456404","CC(C)=C1OCOC1=C(C)C"]
["23256949","CC1=CC(C)(C)P(=S)(Cl)O1"]
["181683509","ON=C1CCC(=NO)OCO1"]
["32403205","C/C1=N\\[C@H]2CCCC[C@@H]2/N=C(\\C)c2ccccc2OP(=S)(S)Oc2ccccc21"]
["164582282","COc1ccc(C(C)(C)C)c2c1P(=O)(C(C)(C)C)CO2"]
["185262226","O=C1CCC(=O)SP([O-])(=S)O1"]
["170109667","O=C1OCC=C1OP1(=S)OCCO1"]
["144918337","CSc1c(C(C)(C)CO)ccc2c1OCO2"]
["192495540","CC1=C(C)P2(=S)C[C@@]1(C)C(C)=C2C1=C(C)[C@]2(C)CP1(=S)C(C)=C2C.CC1=C(C)P2(=S)C[C@]1(C)C(C)=C2C1=C(C)[C@@]2(C)CP1(=S)C(C)=C2C.CC1=C(C)P2(=S)C[C@]1(C)C(C)=C2C1=C(C)[C@]2(C)CP1(=S)C(C)=C2C"]
["100780868","S=P12c3ccccc3Oc3cccc(c31)Oc1cc3c(cc12)Oc1cccc2c1P3(=S)c1ccccc1O2"]
["97974543","CN1C=C2OCC2C1"]
["101691824","C=C1S[C-]([CH2-])C([SeH])=C1[SeH].[Li+].[Li+]"]
["60176586","C=C1C=C(C)C(C)=C(C)N1C(C)(C)C"]
["171654961","C=C1C=[C-]C(C)S1.[Rb+]"]
["26862970","C=C1C=C(Br)[CH]S1"]
["101188565","C=c1ccc(=C[C]2C([CH2-])(C)c3ccccc3C2(C)C)cc1.[Li+]"]
["75475252","C=C1S[N]C(Cl)=C1Cl"]
["63959758","C=C1C=C[CH]S1.[Sn]"]
["173519190","C=CC1=C(C=C)C(=C)COC1"]
["183954099","C=C1C=NCS1"]
["79480413","C=C1[C](C)[P-]C(C)=C1C.[Li+]"]
["161743951","C=C1C=C[CH]S1.[Hg+]"]
["79197108","C=C1[N-][C]=S=C1C.[Li+]"]
["51711512","OC(O)C12C3C4C1C1C2C3C41C(O)O"]
["69551963","NC(O)[S-].[Ca+2]"]
["26053844","C[C](C)C(O)O"]
["156651616","O[C@@H](C1CCCC1)C1(O)CCCCC1"]
["180429660","CCOC[C@@H](O)C1([C@@H](O)C2CC2)CC1"]
["99292890","CC1(C)[C@H](C(O)C(Cl)(Cl)Cl)[C@@H]1C(=O)O"]
["168770556","CC(O)C1CC(C(C)O)CC(C(C)O)C1"]
["183042287","CC1(C)C2C(=O)OC21C(O)O"]
["172770748","[CH2-]CC([CH2-])[P+](O)(O)O.[Mg+2]"]
["150320554","CC1(C(O)O)COC(=O)OC1"]
["159201877","C[C@H](O)[C@H](C)[C@]1(N)C[C@@H]1C"]
["162409308","C[C@@H](O)[C@@]1([Si](C)(C)C)O[C@@H]1C"]
["163463610","CN1S(C)(C)N(C)S2(C)N(C)S(C)(C)N2S1(C)C"]
["186160239","CN1S(C)(C)NNS1(C)C"]
["174877629","CN1S(=O)CCCS1=O"]
["54465499","CCCSC1CCN(C)CC1"]
["172986240","CN1C=CCC/C1=N\\N"]
["174722371","CN1CC[IH]CC1.[V]"]
["176388901","CCN=S1CCN(C)CC1"]
["179699900","CN1CCC(N)=C(N)C1"]
["172478680","CN1C=CC=C(O)C1C(F)F"]
["52056911","[CH+]=C1[N-]C=CN1C"]
["180047414","CN1C=CN(N2CCN(C)C2)C1"]
["173086263","CN1C[CH+]C(=[As-])CC1"]
["174118634","[B+]C(Cc1c(=[B+])/c(=C([B+])\\C([B+])=C(\\[B+])C)c(-c2c[c-](-n3[c-](CC)[n-][c-]4[cH-][cH-][cH-][cH-][c-]43)[cH-][cH-][cH-]2)c2c(=[B+])c(=[B+])c(=[B+])c(=[B+])c12)=C1/C(=C(/[B+])[C-]=[CH-])c2c(c(=[B+])c(=[B+])c(=[B+])c2=[B+])C1(C)C"]
["174119383","[B+]=c1c(=[B+])c(=[B+])c2c(-c3ccc4c(c3)C(C)(C)C3=[C-]CC[C-]=C34)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(-c3ccc(N4c5ccccc5[N-][C-]4c4c[cH-][cH-][cH-][cH-]4)cc3)c2c1=[B+]"]
["174118034","[B+]/C(C)=C([B+])/C([B+])=c1/c(-c2ccc(-n3c4c[cH-][cH-]cc-4[n-][c-]3C([B+])([B+])O)cc2)c2c(=[B+])c(=[B+])c(=[B+])c(=[B+])c2c(-c2ccc3c4c2c[cH-][cH-]c4[c-]2[cH-][cH-][cH-]cc32)c1=[B+]"]
["174118572","[B+]=C1C(=[B+])C(=[B+])[C-](C2=C=CC(=C3c4c(c(=[B+])c(=[B+])c(=[B+])c4=[B+])C([C-]4[CH-]CC[C-]=C4n4[c-](C)[n-][c-]5[cH-][cH-][cH-][cH-][c-]54)=C4C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]43)C=C2)C(=[B+])C1=[B+]"]
["30214026","CCOCc1ccc(C2CCNCC2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1"]
["15796431","CC[C@H](Sc1nnc(CN=C(O)c2ccccc2F)n1C)C(O)=Nc1cccc([N+](=O)[O-])c1"]
["189118463","CC[C@H]1C[C@]2(O)CC[C@@H](C2)[C@H]1C1=NN2CC(C)(C)COB2c2c[nH]c3nccc-3c21"]
["175301139","[B+]C([B+])(C1C(=[B+])C(=[B+])[C-](Cl)C(=[B+])C1=[B+])n1[c-]([CH-]N2CC([B+])([B+])C([B+])([B+])C2)[n-][c-]2[cH-][cH-][cH-][cH-][c-]21"]
["53925176","CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(CC(O)=N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C[C@H]2c1ccc(C#N)cc1"]
["175241944","[B+]C(=[B+])/C([B+])=C(/[B+])c1c(C)c(-c2cc[c-]3[cH-][cH-][cH-]cc3c2)c(=[B+])/c(=C(/[B+])C(=[B+])[B+]C)c1-c1cc[c-]2[cH-][cH-][cH-]cc2c1"]
["59154361","COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](OCCO)[C@@H]3c3ccc(COCCOC)cc3)cc21"]
["49940437","CCC(=O)OCN1C(C)=C(C(=O)O)C(C)(c2cccc(Cl)c2Cl)C(C(=O)O)=C1C"]
["73563262","O=c1nnc2nnnnc2o1"]
["98558868","CC(C)C(C)n1oc(=O)nc1O"]
["75496821","O=C1O[PH](F)(C(F)(F)F)OC1=O"]
["120576519","NCC1COC(=O)N1c1ccc(Cl)o1"]
["88983580","O=Cc1nc(=O)o[nH]1"]
["58818004","[CH2-]c1nc(=O)o[nH]1.[K+]"]
["151083345","C[C@H]1C=NC(=O)O1"]
["163082428","O=C1CCCCN1c1cncc(Cl)n1"]
["163360767","CCn1nnc2oc(C(C)=O)cc21"]
["192239093","CC/C=C/[B-]12OC(=O)C[N+]1(C1C[C@@H]3C[C@H]([C@H]1C)C3(C)C)CC(=O)O2"]
["195343029","C1c2nnnc3c2C(=NNN3)C12c1nnnc3c1C(=NNN3)C21Cc2nnnc3nnnc1c23"]
["85446881","CC1(C)CC(C2CC(O)=NC2=O)C(C)(C)O1"]
["78350651","[CH2+]C(C[CH+][N+](C)(C)CC[O-])=[N+](C)C.[Cl-].[Cl-]"]
["79164547","CCC(=O)OC(=O)CN.C[N+](C)(C)C[C@H](O)CC(=O)[O-]"]
["192389379","C.CCC(C)=C([O-])OC(CC(=O)[O-])C[N+](C)(C)C.[Y]"]
["89061026","CC(C)n1cnc2cc(C(=O)Cn3cccn3)ccc21"]
["179384833","CC(C)N1C(CO)CC[C@H]1C"]
["60638323","CSC.[CH-]=C(C)C[O-].[Y]"]
["49036378","C=CC(N(C)C)=[N+](C)C"]
["175251593","CCOC(=O)CNC.O=[N+]([O-])O"]
["187615796","CC(O)C[N+](C)(C)Cc1ccccc1.CCCC(=O)[O-]"]
["9261220","C/C(=N\\N=C1N=C(O)[C@H](CC(=O)[O-])S1)c1ccc(Br)cc1"]
["173926685","C[N+](C)(C)CC[O+]=[Si-].[Cl-]"]
["53641314","C.C[N+](C)(C)CCO"]
["102933446","ClCc1ccc(O[P+]2=N[PH](Oc3ccc(CCl)cc3)=N[PH](Oc3ccc(CCl)cc3)=N2)cc1"]
["200542398","ClCC#Cc1ccc(CCl)cc1"]
["22986345","COc1ccc(CC2C(O)=Nc3ccc(C)cc32)cc1"]
["64349673","COc1ccc(CCC(Cl)Cc2ncc[nH]2)cc1"]
["1765528","O=S(=O)(NCCc1ccc(OC(F)F)cc1)c1ccc(Cl)nc1"]
["85093490","COc1ccc(NS(=O)(=O)CC(C)CCl)c(OC)c1"]
["195739006","COc1ccc(CN2CN(CC(=N)O)c3ncc(C)cc3S2(=O)=O)cc1"]
["199068173","CC(Oc1ccc(CO)cc1)c1cn(-c2cnnn2C)nn1"]
["68362342","Cc1ncn(-c2ccc(CCl)cc2F)c1C"]
["179587792","CC(C)NCc1ccc(OI)cc1"]
["176035329","Clc1cc(CCCN2CCCN2)ccc1OC1CC1"]
["56140427","FC(F)Oc1ccc(-c2cc(CCl)on2)cc1"]
["42273763","BrN1P(Br)N(Br)P(Br)N(Br)P1Br"]
["174724132","Brc1c2cc-2n1Br"]
["68919631","BrN1CCC1"]
["161697342","BrN1C=CCC1"]
["152494738","BrN1C2C3C(C4C(C21)N4Br)N3Br"]
["174388023","O=S(O)N1C=CN(Br)C=C1"]
["170548362","Cc1cccc(C)c1N1P(Br)N(c2c(C)cccc2C)P(Br)N(c2c(C)cccc2C)P1Br.Cc1cccc(C)c1N1P(Br)N(c2c(C)cccc2C)P(Br)N(c2c(C)cccc2C)P1Br"]
["46939469","CB1N(C)B(C)N(C)P(Br)N1C"]
["172220194","O=C1N(Br)C(=O)N1Br"]
["59020398","CC1(C)CN1Br"]
["49164524","C[Si](C)(C)C1[P@](Br)C1([Si](C)(C)C)[Si](C)(C)C"]
["176144368","Brc1bn(Br)cc1"]
["78964335","[O][n+]1nnnnn1"]
["181772128","CCCCC[n+]1nnnnn1"]
["164572646","[O][N+]1=C[N+](=O)N[N]1"]
["79422498","N=[SH]([O])=O"]
["76663592","NP(N)(=O)[n+]1cccnn1"]
["78556945","B[SH](=O)=O"]
["24834738","[O]C1=NC(=O)C=C1"]
["164572651","O[n+]1cc[n+](O)nn1"]
["82601789","Br.N#Cc1ccccc1C[n+]1nnnnn1"]
["167147145","[SiH2]=[SiH][Si](Cl)(Cl)Cl"]
["184537798","C=[N+]1C(=O)SN=C1C"]
["148747925","CC([SH](=O)=O)=[SH]([O])=O"]
["186666291","O=P(=O)OCN(CC[NH+]=C(O)CC[NH2+]CCC(O)=[NH+]CC[NH+](COP(=O)=O)C[O+]=[P+]([O-])[O-])COP(=O)=O"]
["9097918","COc1ccc(-c2cc3c(=O)n(CC(O)=[NH+]CCN(C)C)ncn3n2)cc1"]
["16012482","Cc1cc(=O)oc2c(C)c(OCC(O)=[NH+]CCN(C)C)ccc12"]
["16224759","CN(C)CC[NH+]=C(O)CCCCS(=O)(=O)N1CCCCC1"]
["15136295","CCN(CCC(O)=[NH+]CCN(C)C)C(=O)c1ccoc1"]
["10103394","CCN(CC)CC[NH+]=C(O)CCCOc1ccc(F)cc1F"]
["8421770","CC[C@@H](C)N(C)CC[NH+]=C(O)CCSCc1csc(C)n1"]
["11228662","CCN(CC)CC[NH+]=C(O)CCSc1ncnc2sc(C)c(C)c12"]
["7671393","CC[C@H](C)N(C)CC[NH+]=C(O)CCCc1ccc(OC)cc1"]
["5546533","CCN(CC)CC[NH+]=C(O)Cc1ccc(OC)cc1OC"]
["180208045","CC=CCC(O)=[NH+]CCN(CC)CC"]
["9028114","CCN(C)CC[NH+]=C(O)CCCOCCOC"]
["100849190","C1C[NH+]2[As](C1)[NH+]1CCC[As]21"]
["185337065","CS[NH+]1CCCCC1"]
["58476527","O/N=C1/CCC=CCC[C@H]1[NH+]1CCCC1"]
["101143218","F[B-](F)([F+])C[NH+]1CCCCC1"]
["75491471","C=S1CCC[NH+]1[CH2-]"]
["51570481","C=[C-][C@H]1CCC[NH+]1C"]
["172250366","F[B-](F)(F)F.F[B-](F)(F)F.O[N+]12CC[NH+](CC1)CC2"]
["185174773","BrP[NH+]1CCCC1"]
["185627675","CS[NH+]1CCCC1"]
["185012739","O=C1CCC[NH+]1S"]
["79255509","F[B-](F)(F)F.P[NH+]1CCCC1"]
["32161922","CC1(C)CCC[NH+]1[O-]"]
["179243073","[NH2+]=Cc1nnn[n+]2nc3n(c12)OC=CC=C3"]
["196524709","c1ccc2c(c1)SSn1nnnc1-2"]
["32241662","CCN1N=C2C=CC=CN2/C1=C1\\N(CC)N=C2C=CC=CN21"]
["25099968","CN(C)C(=O)N(C)c1nnc(SCN2C=CC=CO2)s1"]
["161806785","C=CC(=O)C(=O)C=C1C=CC=CO1"]
["174604142","C=CCC1=NOC=CC=C1"]
["200217705","CC=Cn1[nH]c2cc(Cl)nnc2c1=O"]
["141253106","CC(C)c1nnc(C=CC(=O)N2CCOc3ccncc32)o1"]
["74054340","O=C/C=C1\\C=CC=CO1"]
["87877646","CC(C)c1ccc(-n2nnc3c2C(=O)OC3=O)cc1"]
["76358451","Nc1nonc1-n1nnc(C(O)=NN/C=C2\\C=CC=CC2=O)c1CN1CCc2ccccc2C1"]
["95471341","CC(C)c1ccn(-c2ccc(C=O)s2)n1"]
["170511381","Clc1cccc(Cl)c1/C=C/C(n1cccn1)n1cccn1.Clc1cccc([ClH+])c1C=[C-][C@H](N1CC=C=N1)n1cccn1"]
["145610431","CC(N=C(O)N(CC1CC1)c1ccccc1)C(C)n1cccn1"]
["47938087","OC(=NCc1nc(C2CCCCC2)no1)c1cccc(Cn2cccn2)c1"]
["88406913","CN(C)S(=O)(=O)c1ccc(N)c(-n2cccn2)c1"]
["172370326","COc1cc(CN(C(=O)C(c2ccc(-c3ccc(F)c(F)c3)cc2F)n2cccn2)[C@@H]2C=CS(=O)(=O)C2)ccn1"]
["131245696","O=S(=O)(Cc1ccc(Cl)nc1)N1CCOC(Cn2cccn2)C1"]
["103571211","CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C"]
["68657459","O=C(N/N=C\\c1c(Cl)cccc1Cl)c1ccc(Br)o1"]
["89038104","C=CCN1CCNc2cccc(Cl)c21"]
["MCULE-8687577320","CCCOC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2c(Cl)cccc2Cl)C4=O)cc1"]
["74809226","OC(=N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1cnn([C@H]2CC[C@@H](O)CC2)c1-n1cccn1"]
["MCULE-6317289735","CCCc1nn(Cc2cccc(Cl)c2)c2c1C(c1ccccc1Cl)C(C(=O)N1CCC(O)CC1)=C(N)O2"]
["90999584","C[Ge]1(C)CSCS[Ge](C)(C)S1"]
["25984415","C[SiH](O[SiH3])[SiH]1C=CCC1"]
["105454409","CC(C)[C@@H](CN(C)C)NC1(C(=O)O)CCSCC1"]
["178768070","CCC1C2CC(C(C)C)CC12"]
["84190827","C[Ge]1(C)C[Ge](C)(C)S[Ge](C)(C)C1"]
["54650450","CC(C)NC1(C(=O)C(C)C)CCSCC1"]
["160269639","CC(C)C1CC(NC2CCSCC2)CS1"]
["180731449","CCC1C2C[C@H]3C1CC23"]
["189138794","CC(C)C1CC[S@](=O)S1"]
["25326043","C[C](C)CCC1CSCSC1"]
["84068326","C[Ge]1(C)CC2SC2C1"]
["55983628","CC(C)NC1(C(=O)O)CCSCC1"]
["184309037","[B]C12CC3CC4([B])CC([B])(C1)CC34C2"]
["180612887","C1C[C@]23C[C@@]45CC24CC3C15"]
["MCULE-1170135875","CC(C)(C)OC(O)=NC1CC2(C1)C(CO)C2(F)F"]
["162991144","CC1(C)C[C@]2(C)C[C@H]1C[C@@H]2N"]
["97732708","Cc1cc2nc3c(nc2cc1C)[C@@H]1C[C@H](C3)C1(C)C"]
["65814839","CC12CCC(C1)C(C)(C)C2n1c(S)nnc1-c1cccs1"]
["184392096","CC1CC2CC23C[C@]13C"]
["53347223","[B][C@@]12CC(C)CN1C(=O)C(C)=C2C"]
["90988144","C1CC23CCC1C21CC3C1"]
["99040381","CC1(C)[CH]CC2CC21C"]
["178138576","C1C2C3CC4CC56CC25CC1C436"]
["176159915","[B]C1([B])CC(C)N=C1O"]
["184227132","[CH2-]I([CH2-])N1C(C)CC(C)N2CCCN([I+]C)C21"]
["169898757","CC1CCCCCC2CCCCN12"]
["102675578","CCn1cc([C@H]2CN(C(O)=N[C@@H]3C[C@@H](C)N(C4CC4)C3)CCO2)cn1"]
["50285691","CC1CCC(N2C(C)CCCC2CN)CC1C"]
["187330429","CC1C[C@@H]2CCCC[C@@H]2N1C(C)(C)C"]
["67219918","COC1CCCC(N2CCCCC2C(=O)O)C1"]
["98952135","C[C@H]1CCCN1C[C@@H]1C[C@H]1c1ccc(N2C=CCC=N2)cc1"]
["180332768","C[C@H]1C[C@@H](C(=O)O)N(C2C=CC2)C1"]
["184940593","C[C@@H]1CCCCN1C1COC1"]
["112480360","CCCC1CCC(NC)C(N2CCCN(C)CC2C)C1"]
["84897594","CC1CCCC(C)C1N1CCC(C(=O)O)C1C"]
["162942915","CC1CC(O)CN1C(C)C(=N)N"]
["186635223","Nc1nc2nc3c1nc(O)n3Cc1cc(cc(Nc3nc4nc5c3nc(O)n5Cc3cccc(c3)OCCCCCO4)n1)OC/C=C\\CCO2"]
["49862703","COc1ccccc1N1CCN(c2ncnc3[nH]cnc23)CC1.CS(=O)(=O)O.CS(=O)(=O)O"]
["144718734","OCC1CCc2nc(-c3cccc(O)c3)nn2C1"]
["30107760","CCCCOc1nc(N)c2nc(O)n(CCCC3CCCN(CC4CCCC4)C3)c2n1.Cl"]
["174319201","OC1=CC=CCC=C1c1cc(NCc2cccc(N=C(O)c3cc4ccccc4o3)c2)n2ncc(Br)c2n1"]
["MCULE-6867634039","OC(=Nc1cccc2c(O)cccc12)C1CCN(c2ncnc3[nH]cnc23)CC1"]
["170133602","O=C(c1ccc2cccc(F)c2n1)N1CCN=C(O)Cn2cnc3c2CCN(C(=O)C2CCOCC2)C3c2cccc(c2)OCCCN=C(O)C1"]
["200278023","COc1c(F)cccc1Nc1c2[nH]c3c1C(O)=NC[C@@H]3[I+]N(C)CCCCOC1=C[N-]C[C-]=C12"]
["MCULE-4552399056","COCC1(C(=O)N2CCN=C(O)c3cccc(c3)OCCCn3nc(C)c(c3C)CN(Cc3ccc4nccnc4c3)CC2)CC1"]
["30083130","Cc1c(-c2cccc(O)c2)sc2c(N3CCOCC3)nc(-c3cnc(=N)[nH]c3)nc12"]
["160918273","CC(C)C1N(C(O)=N[C@H](C)c2cccc(O)c2)CC12CCOCC2"]
["169278003","NCc1ccc(C2=NC3=NCC/C=C/CCCOc4cccc5cnc(nc45)Nc4ccc(c3c4)N2)cc1"]
["168146255","[NH-]c1ncnc2c1N=C[N+]2=CC=C(CO)CO"]
["182524092","Cc1ncnc2c1ccn2C1CCCC1CO"]
["92337689","CC/C(=C/c1ccnc(C)n1)CCl"]
["MCULE-3602961697","Cc1cc(Cl)cnc1CCCCO"]
["94408199","CC/C(=C\\c1ccc(C)s1)CO"]
["82711212","CN(C)c1ncnc2c1nc(Cl)n2C1CC(O)C(CO)O1"]
["54878838","CC[C@@H](C)N=C(O)CSc1ncnc2scc(-c3ccc(C)cc3)c12"]
["75485587","O=CC(=O)c1ncnc2cc[nH]c12"]
["126327000","Cc1ncsc1C=CC(O)=NC(CO)CC(C)(C)C"]
["31961784","Cc1c(O)nc(=O)n(C)c1/C=C(/CO)CF"]
["115206217","CC[C@@H](O)c1ccc(Sc2ncnn2C)cc1"]
["85331093","OCCC#CCc1nc(-c2ccccc2)cs1"]
["67495280","COP(C)(=O)OC1C(OP(=O)([O-])[O-])C2OP(C)(=O)OP(=O)([O-])OC2C2OP(=O)([O-])OP(=O)([O-])OC12"]
["191379108","C.COP(C)(=O)CO.CP1(=O)OCCO1"]
["26508023","COP1(=O)OC(C)(P(=O)(OC)OC)CC1c1ccco1"]
["34554041","COP(C)(=O)OC1CCCC1"]
["101726875","O=P([O-])([O-])O[As]1([O-])([O-])OO1.[Zr+4]"]
["76994101","O=P([O-])([O-])OC1C(O)C(O)CC(O)C1O"]
["193343190","[B][C@@H]1O[C@H](COC(C)C)C(OP(=O)([O-])OC[C@@]2(F)O[C@@H]([B])CC2OC(C)C)C1O.[B][C@@H]1O[C@H](COC(C)C)C2OP(=O)([O-])OC21.[B][C@H]1CC(OC(C)C)[C@@](F)(CO)O1"]
["65254360","CCCCCCC(=O)COP(C)(=O)OC"]
["179242877","COC1=C(OC)C([O-])OC1=[C-]COP(=O)(OC)O[I+]C"]
["174662873","CCOC(=N)O.COP(C)(=O)OC"]
["75445989","COP(=O)([O-])OC.C[P+](C)(C)C1CCCCC1"]
["150430645","COP(=O)(CC(=O)OCCN=C(O)C(C)(C)N)OC"]
["164539655","CC(C)(C)[SiH]1O[Si]2(C(C)(C)C)O[Si](O)(C(C)(C)C)O[Si]3(C(C)(C)C)O[Si](O)(C(C)(C)C)O[Si](C(C)(C)C)(O1)O[Si](C(C)(C)C)(O[Si](O)(C(C)(C)C)O3)O2"]
["185631558","CC(C)=COC(C)(C)CO"]
["184008859","CC=CN(C)C(C)(CO)CO"]
["165741396","CC(O)(CO)c1cc2cc(C(=O)O)ccc2o1"]
["181392218","CCCOC[Si]1(C(C)(C)C)O[SiH](C(C)(C)C)O[SiH](C(C)(C)C)O1"]
["150201162","CC(C)CC(C)(C(C)C)C1OC1O"]
["96835253","CC(C)(C)[Si]1(O)O[Si]2(C(C)(C)C)O[Si]3(C(C)(C)C)O[Si](O)(C(C)(C)C)O[Si]4(C(C)(C)C)O[Si](C(C)(C)C)(O1)O[Si](C(C)(C)C)(O2)O[Si](C(C)(C)C)(O3)O4"]
["137492378","CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1ccc[nH]1"]
["173908279","[B]CC(=C)NC(C)(C)C"]
["168633418","CC(C)(C)[Si]1O[Si]2(C(C)(C)C)O[Si](O)(C(C)(C)C)O[Si]3(C(C)(C)C)O[Si](O)(C(C)(C)C)O[Si](C(C)(C)C)(O1)O[Si](C(C)(C)C)(O[Si](O)(C(C)(C)C)O3)O2"]
["25834704","CC(C)(CO)C1OCCO1"]
["187988569","CN1CCN(CCC(C)(C)I)CC1"]
["195611103","I[CH-]C1=NNN[NH2+]1.[U]"]
["185088064","O=C1[C-]=NN1"]
["185575918","OC1=NNNB=B1"]
["179728207","[CH2-][CH-]C[C@@](C)(CI)[Cl+]C"]
["178470788","CC1C(I)=NNC1N"]
["26456548","OC1=NNNC1"]
["175032140","Cl.Cl.OC1=NNC=CS1"]
["98928325","CN1CNN=C1Br"]
["147785703","CC(C)(C)C1=NNCC1=S"]
["185925473","CC(C)(C)CC1=NCON1"]
["48110361","CNCC1=NNNN1"]
["179161169","CC(C)(C)c1cc(CC(=N)O)cc(Br)n1"]
["184661889","C=CCCCC(CC=C)[Si](CC(C)CCCC)Cn1c(=O)n(C[Si+](CC(C)CCCC)C(CC=C)CCCC=C)c(=O)n(C[Si-](CC(C)CCCC)C(CC=C)CCCC=C)c1=O"]
["49106382","C=CCCC(O)=NC[C@H](C)OC(=O)[C@@H]1[C@H]2O[C@@]3(CC2Br)[C@H](C(=O)N(CC=C)CCCCC)N(CCCCCO)C(=O)[C@@H]13"]
["187403953","C=CCC(C)=C=CC(CCCCC)CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(C)CCCCC)OC(=O)OCCN1CCCC1"]
["184772835","C=CCCCCCCCCCCC[C@H](C)C[C@H](C)C(=O)O[C@@H]1C(OC(=O)CCCCCCCCCCCCCCC)[C@@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)OC(CO)[C@H]1O"]
["26631767","CCCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(CC(=O)OCC)cc1"]
["199329152","CC.CCC(/C=C/C=C\\C/C=C\\CCCCCCCC=C=O)C1CC(=O)OC1=O.CCCCCCCCC(/C=C/CCCCCCC(=O)OC(CCC)COC(=O)CCCCCCC/C=C\\C=C\\C(CCCCC)C1CC(=O)OC1=O)C1CC(=O)OC1=O"]
["156353673","C=CCOC(=O)C(C)(C)CO[C@@H](Cn1c(=O)n(C(C)(C)C(O)=NC(C)C)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC"]
["62706405","C=CCCOC(=O)[C@H]1[C@@H]2SC3(CC2Br)C(C(=O)N(CC=C)C(C)CCC)N([C@@H](CO)C(C)C)C(=O)[C@H]13"]
["164358979","CCCCCC(C=CCC(C)CCCC)C1CC(=O)OC1=O"]
["178212526","C=CCCCC[C@H](C)C[C@@H](CC)CC(O)=NCC"]
["MCULE-4803518093","C=CCN(C(CCCC)C(O)=Nc1ccccc1CC)S(=O)(=O)c1ccc(N=C(C)O)cc1"]
["MCULE-2800044730","C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C(C)CC)cc2)cn1CCC(C)C.Cl"]
["180460843","C[C@@H]1[n+]2c3c4cc5c2C(CCC5)N2[C@@H]5CCCC[C@H]5[NH+]1CC[NH+](CN2Cl)[C@@H]1CCCC[C@H]1[NH2+]C3CCC4"]
["194712049","COc1cc2cc(c1OC)CCCN=C(O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4cn(C5CCC(N)CC5)nn4)C3)CN1C(=O)CC2"]
["157640353","C[C@@H]1CN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CCN1c1nccn2cnnc12"]
["84312414","Cc1ccc2c(c1)CCCN2CC(=O)N(C)C"]
["89413775","Cn1cc2c(c1Cl)CCCC2NC1CC1"]
["154707198","C=C1C[C@H]2CCCCCc3nc4ccc(Cl)cc4nc3O[C@H]3CN(C(=O)[C@H](C(C)(C)C)N=C(O)O[C@@H]2C1)[C@H](C(=O)OC(C)(C)C)[C@@H]3C"]
["CSSS05448321849","Cc1ccc2c(c1)[C@H](n1cc(CN3CC(CO)Oc4ccccc43)nn1)CCC2"]
["29282967","O=S(=O)(c1ccccc1)N1CCN=C(O)[C@H]1Cc1cn([C@@H]2CCCc3cc(CNC4CCCC4)ccc32)nn1"]
["110562028","CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)N4[C@@H]5CCCC[C@@H]5S[C@@H]5CCCC[C@@H]54)c(N)c3cc2C1"]
["13824866","Cc1cc(C(O)=Nc2c(C)cnn2[C@H]2CCCc3ccccc32)no1"]
["10059781","CC(C)(C)c1ccc(C(=O)[C@H]2CCC[NH+](CCO)C2)cc1"]
["114045207","CC(C)(C)CC(O)CNCc1ccn(C2CCCC2)n1"]
["54134207","B#P(I)C(C)(C)C1C(=O)OC(=O)C1CC(C)(C1C(=O)N(CCN2C(=O)C(C)C(CC(C)(C3C(=O)OC(=O)C3C)P(#B)I)C2=O)C(=O)C1C)P(#B)I"]
["MCULE-3958224276","CCN1C(=O)C(C)Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cccc21"]
["141268181","CCc1ccccc1OC(=O)CN1C(=O)C(C)Oc2ccccc21"]
["57321452","CCOC(=O)c1cn2c3c(c(F)c(F)cc3c1=O)OC=C2"]
["105969792","COc1cc(C=O)cc2c1O[C@H](C)C(=O)N2CCC(C)C"]
["109051243","Cc1ccccc1CN1C(=O)[C@@H]2CCCC2=Nc2ccccc21"]
["MCULE-7680833106","CCOC(=O)C1CCCN(C(=O)C2=C(N)Oc3c(c(CC)nn3C)C2c2ccccc2F)C1"]
["76024468","C=C(C)CN1C(=O)C(C)S/C1=N/N=C1/SC(OC(=O)C(C)(C)C)C(=O)N1C"]
["9126397","CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)N(C)CCS3)C1"]
["174908217","C[C@H]1O[C@H](CN)CN(C)C1=O"]
["83989502","CCCCCCC1C(=O)OC(=O)C1C"]
["MCULE-5060874314","CCC(CC)C(=O)N1CCCC(NC(=O)c2cc(C)on2)CC1"]
["100857225","c1c[nH][nH][cH+][cH+]1"]
["97879532","c1c[nH][nH]cc[nH]1"]
["171285029","CCC[Si]1(CCC)N[Si](CCC)(CCC)N[Si](CCC)(CCC)N1"]
["171628897","CC(C)=O.N=c1cc[nH][nH]1"]
["78616430","[c]1ccc[nH][nH][nH]1"]
["100855854","c1c[cH+][cH+]1"]
["161731235","c1[cH+][nH][pH][si-]1"]
["22284748","C[NH+]=c1cc[nH][nH]1"]
["175637383","CC(C)=O.[HH].c1cc[nH]c1"]
["66649232","CCCn1c(-c2cc[nH]c(=N)c2)nc2cccc(Cl)c21"]
["100853659","[c]1ccc[cH+][nH]1"]
["97520114","[cH+]1[cH+][nH][n-][nH]1"]
["172675694","O[Si]#[Si][Si]1=C2C=C[C]1C=C2"]
["79321565","O=C1N=C[C]=C1O"]
["156377089","NOOc1cc(Br)c(N)c(Br)c1"]
["90136716","COc1c(C)cc(Cl)c(O)c1Br"]
["90213233","COc1c(C)cc(CCN)c(O)c1Cl"]
["178673811","CNC1=C(OC)C=CCC1C(=O)OC"]
["52619938","Br[C]1C=CC(=[Si]2CCCCO2)C=C1"]
["171587311","Oc1c(O)c2c(O)c(O)c(O)c3c4cccc5cccc(c(c1O)c23)c54"]
["172263871","CNC1C=CC(=O)C=C1"]
["195096509","[N]NC1C=CC(=O)C=C1"]
["90210405","COc1c(C)cc(C)c(F)c1C(=O)CN"]
["61276260","OCC[C@H]1C[C@H](O)C2=CC=C[C]21"]
["198786512","C1=CC2Sc3c(-c4ccccc4)nc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)nc3C2C=C1.CP(C)(=O)c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2ccc4nsnc4c23)cc1.c1ccc(-c2nc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)c3ccccc3n2)cc1"]
["177881462","Clc1ccc2c3cc4ccccc4cc3n(-c3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc5ccccc45)cc4ccccc34)c2c1"]
["184738527","Clc1cccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)c1"]
["193310847","c1ccc(-c2ccc(-c3ccc(-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc56)ccc5oc6ccccc6c45)cc3)cc2)cc1"]
["172105753","c1ccc2nc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc4ccccc34)ccc2c1"]
["119487064","CCCNc1cc(N2CCc3ccccc3C2)nc(-c2ccccc2)n1"]
["171757203","c1ccc(-c2cccc(-c3ccc4c(c3)sc3c5ccccc5c(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc43)c2)cc1"]
["198512031","C1=CC2Oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-c7cccc8ccccc78)c7oc8ccccc8c67)c6ccccc56)n4)c3C2C=C1"]
["19808724","COc1ccc(-c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3n2)cc1"]
["MCULE-9967402563","CC1COCC(C)N1c1cc(N2CCOc3ccccc32)nc(-c2ccccc2)n1"]
["187321930","C=C/C(=N\\C(=N/C(=C)c1ccccc1)c1cc2ccccc2c2c1oc1cc(-c3ccc4c(c3)-c3ccccc3C4(C)C)ccc12)c1cccc(-c2ccccc2)c1"]
["78330705","c1ccc(-c2nc3c4ccccc4c4cc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)ccc4c3nc2-c2ccccc2)cc1"]
["168486519","COC(=O)C1=CC(=[Si](C)C)C=C(c2c3nc(c(-c4cc(C(=O)OC)cc([Si+](C)C)c4)c4ccc([nH]4)c(C4=CC(=[Si](C)C)C=C(C(=O)OC)C4)c4nc(c(C5=CC(=[Si](C)C)C=C(C(=O)OC)C5)c5ccc2[nH]5)=C=C4)C=C=3)[CH-]1"]
["59204262","COC(=O)c1[nH]c2cccc(C)c2c1N=CO"]
["MCULE-4608232873","COc1ccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1-c1c(C)nn(C)c1C"]
["145378853","CNC(=O)c1ccnc2c([C@H](C)CN=c3cc(-c4ccc(N5Cc6ccncc6C5)nc4)nc[nH]3)cccc12"]
["MCULE-4715059127","CCCOC(=O)c1ccc(CN=C(O)C(C)(CC)N=C(O)c2ccc3nc(CC)[nH]c3c2)cc1"]
["124677264","Cc1ccc2nc(CN=C(O)c3ccc(=O)n(C)c3)[nH]c2c1"]
["149719858","COC(=O)c1nc2c(-c3ccc(C)c4[nH]c(C(=O)OC)nc34)c(C)ccc2[nH]1"]
["70221336","COC(=O)c1cc(Cl)c(CC2=CC(=C(C)C)C(=O)N=N2)c(Cl)c1"]
["129080838","COC(=O)c1cc(Cl)cc(N=C(O)c2cnc3ccccn3c2=O)c1"]
["101017195","COC(=O)/C1=C/c2ccccc2NC2=C(C1)C(=O)CC(C)(C)C2"]
["92239873","COC(=O)c1coc(CNc2cc(Cl)cc(Br)c2OC)c1"]
["155281671","CNc1cc(Cl)ccc1-c1nc2cc(C(=O)OC)cc(Br)c2[nH]1"]
["78553168","C=CC#CC#CC#CC#COc1cc(/C=C/c2cc(C#N)c(/C=C/c3cc(O)c(C)cc3OC#CC#CC#CC#CC=C)cc2C#N)c(O)cc1C"]
["170800398","N#CCC=Cc1ccc2ccc(O)cc2c1"]
["169887352","C=CC(C)c1c(C)cc(O)cc1/C=C/c1ccc(O)c(OC)c1"]
["126711440","C=CCC(CO)NS(=O)(=O)c1ccc(Cl)c(C#N)c1"]
["170341891","C/C(=C\\C(=O)O)c1ccc(F)c(C#N)c1"]
["160851522","Cc1cc(C(=O)NC2(C)CCOC2C2CC2)ncc1C#N"]
["58430211","N#Cc1ccccc1OCC(=O)c1ccc(O)c(O)c1"]
["200444543","COc1cc(C)c(-c2c3c([nH]c(=N)c2C#N)CCOC3)cc1C"]
["95292436","COc1ccc(/C=C(/C)C=O)cc1C#N"]
["107127601","CCN=C(O)C[C@@H](C#N)c1ccc(OC)c(C)c1"]
["82451449","Cc1cc(O)c(C=C(C#N)c2ccc(C(C#N)=Cc3cc(O)c(C)cc3O)cc2)cc1O"]
["69645755","CNCOc1cc(C)c(OC(O)=COC)cc1C"]
["186545463","CC(C)CP(CC(C)OP(OC(C)COC(C)C)SCC(C)CP(OC(C)C)SCCC(=O)O)C(C)C"]
["13799567","CC(C)CN(C(=O)CCCn1c[nH+]cn1)C1CCN(C)CC1"]
["185311251","CCOCC(OCCCCCCCCCC(=O)O)OCC(=O)O"]
["160048823","CCCCCCC(C)ON=O.CCCCCCCCCCCCCCCCCC(=O)O"]
["130032612","CCn1cc(C(=O)OCCOC(C)C)c2ccccc21"]
["148386898","CC(C)OC(=O)C(C)CNC(O)=NCCC(=O)O"]
["120412068","CSCC(C)N(C)C(=O)c1ccncc1C(=O)O"]
["175371553","CSC(CCC(=O)O)N=C(C)O"]
["87774006","CC(C)COc1ccc(O)c(CCC(=O)O)c1"]
["78975256","CC(=O)OCC(C)C.CC(O)COC(C)COC(C)CO.CCOCC"]
["178118708","CCCN(CC(C)C)C(=O)CC(C)C[C@@H](C)OC(C)C"]
["197175493","C[C@@H](N=C(O)C(CC(=O)O)N=C(O)OCC1c2ccccc2-c2ccccc21)C1CCCCCC1"]
["100263832","CCN(C)C1=C=CC(=C2C3=C(Br)C(Br)=C([NH2+]3)C(=C3C=CC(=[N+](C)CC)C=C3)c3[nH]c(c(Br)c3Br)C(=C3C=CC([N+](C)(C)C)C=C3)c3[nH]c(c(Br)c3Br)C(=C3C=CC([N+](C)(C)C)C=C3)c3[n-]c2c(Br)c3Br)C=[C-]1"]
["189789270","CCN(C)c1ccc(C2=C(O)C(=C3C=CC(=[N+](C)CC)C=C3)C2=O)cc1"]
["176354058","C[N+](C)(C)C1[C+]=CC(=c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(=C4C=CC([N+](C)(C)C)C=C4)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)C=[C-]1"]
["97080773","C[N+](C)(C)c1ccc(-c2ccc([N+](C3=C=CC(=C4C=CC([N+](C)(C)C)C=C4)C=C3)=C3C=CC(=C4C=C[C-]([N+](C)(C)C)C=C4)C=C3)cc2)cc1"]
["103022100","COCCOCCOCCOCCN(C)c1ccc(C2=C(O)C(=C3C=CC(=[N+](C)CCOCCOCCOCCOC)C=C3)C2=O)cc1"]
["188440066","CCN(C)c1c(F)c(Cl)c(Br)c2c[nH]nc12"]
["56798868","C[N+](C)(C)c1ccc([Si](CCC2CCC[N+]2(C)C)([O+]=[Si]=[O+][Si-](CCC2CCC[N+]2(C)C)(=C2C=C[C-]([N+](C)(C)C)C=C2)c2ccc([N+](C)(C)C)cc2)C2=C=CC([N+](C)(C)C)C=C2)cc1"]
["200078872","Cc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)CCCS(=O)(=O)[O-])ccc21"]
["73691521","CCCC1=C=CC(=C2C=C[C](Br)C=C2)C=C1"]
["100999612","CCOC(=O)C1=Cc2cc(=C3C=CC(=[N+]([O-])O)C=C3)c(N(CC)CC)cc2=[O+]C1=O"]
["168333635","CCN(C)c1ccc(-c2c3nc(c(=C4C=[C+]C([N+](C)(C)C)[C-]=C4)c4[nH]c(c(Br)c4Br)c(=C4C=CC([N+](C)(C)C)C=C4)c4nc(c(-c5ccc(N(C)CC)cc5)c5[nH]c2c(Br)c5Br)C(Br)=C4Br)C(Br)=C3Br)cc1"]
["110887367","CCCCN(CCCC)c1ccc(C2=C(O)C(=C3C=CC(=[N+](C)CCOCCOCCN(C)c4ccccc4)C=C3)C2=O)cc1"]
["167504485","N#CC1=C/C(/N=C(O)\\C(=C\\N)C(=NC2=NCCN=C2/C=C\\N)C(F)(F)F)=C\\N/N=C\\C=N\\N=C\\1"]
["33606049","CCS/C(=N\\c1ccc(C#N)c(C(F)(F)F)c1)C1(C)CC(C(F)(F)F)=NN1"]
["175957241","COc1cc(C2=CCNCC2)ccc1-c1cc(=Nc2cnc(C#N)cn2)[nH]o1"]
["MCULE-8571615816","Cc1nn(CC(O)=Nc2c(C#N)cnn2C)c(C)c1-c1ccccc1C(F)(F)F"]
["137427686","CC(C)(C)OC(O)=NCC=CCN=C(O)c1ccccc1-c1ccccc1C#N"]
["167504458","C=C(NC1=C(C)/N=C/C=C\\N/N=C/C(Cl)=C\\1)/C(=C/N)C(=Nc1cccc2c1C=CNC2=C)C(F)(F)F"]
["MCULE-7044405667","N#Cc1ccc(-c2cccc(C#N)c2N=C(O)c2ccc(C(F)(F)F)cn2)s1"]
["108330398","Cc1cc(C(F)(F)F)n(C[C@@H](C)CN=C(O)Nc2ccc(C#N)nc2)n1"]
["MCULE-2732814735","N#Cc1cnc(N=C(O)c2ncc(-c3cccnc3F)cn2)nc1"]
["166826613","CC(C)O/N=C(/CN=C(O)/C(=C/N)C(=N)C(F)F)c1ncc(C#CC2CC2)cc1Cl"]
["143368795","CCN(CCN=C(O)C=Cc1ccnn1C)c1cccc(C)c1"]
["MCULE-3567643460","N#Cc1ccccc1N=C(O)c1ncc(C(F)(F)F)cc1Cl"]
["69491847","[1CH3][1n]1[1cH][1c]([1B-]23[1O][1C](=[1O])[1CH2][1N+]2([1CH3])[1CH2][1C](=[1O])[1O]3)[1c]2[1cH][1cH][1cH][1cH][1c]21"]
["76239831","[1N]#[1C][1c]1[1c]([1OH])[1c]2[1cH][1cH][1cH][1cH][1c]2[1n](-[1c]2[1cH][1cH][1cH][1cH][1cH]2)[1c]1=[1O]"]
["76239727","[1O]=[1C]1[1N]2[1CH2][1CH2][1CH2][1C@H]2[1C]([1OH])=[1N][1C]1([1OH])[1C@@H]([1OH])[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239699","[1CH3][1CH2][1c]1[1c](-[1c]2[1cH][1cH][1c]([1C]#[1N])[1cH][1cH]2)[1c]([1CH3])[1n]2[1cH][1cH][1cH][1cH][1c]12"]
["76239795","[1CH3][1CH]1[1CH2][1N]([1C](=[1O])[1CH2][1CH]([1CH2][1N+](=[1O])[1O-])[1c]2[1cH][1cH][1c](Cl)[1cH][1cH]2)[1CH2][1CH]([1CH3])[1O]1"]
["76239833","[1O]=[1C]1[1c]2[1cH][1n+]([1O-])[1c]3[1cH][1cH][1cH][1cH][1c]3[1c]2[1C](=[1O])[1c]2[1nH][1c]3[1cH][1cH][1cH][1cH][1c]3[1c]21"]
["76239712","[1CH3][1O][1C]1([1CH](Br)[1c]2[1cH][1cH][1cH][1cH][1cH]2)[1N]=[1C]([1OH])[1C@@H]2[1CH2][1CH2][1CH2][1N]2[1C]1=[1O]"]
["76239766","[1CH3][1CH2][1n]1[1c]2[1cH][1cH][1cH][1cH][1c]2[1c]2[1cH][1c](-[1c]3[1n][1c]4[1cH][1cH][1cH][1cH][1c]4[1c](=[1O])[1o]3)[1cH][1cH][1c]21"]
["76239993","[1O]=[1c]1[1c]2[1cH][1cH][1cH][1cH][1c]2[1n]([1CH2][1C]#[1C][1c]2[1cH][1cH][1cH][1cH][1cH]2)[1c]2[1cH][1cH][1cH][1cH][1c]12"]
["76239957","[1O]=[1C]1[1O][1C](=[1O])[1C]([1CH]([1c]2[1cH][1cH][1cH][1cH][1cH]2)[1c]2[1cH][1cH][1cH][1cH][1cH]2)=[1C]1[1OH]"]
["76239770","[1O]=[1C]1[1c]2[1nH][1c]3[1cH][1cH][1cH][1cH][1c]3[1c]2[1C](=[1O])[1c]2[1cH][1n][1c]3[1cH][1cH][1cH][1cH][1c]3[1c]21"]
["76239684","[1CH3][1N]([1CH3])[1c]1[1cH][1cH][1c](-[1c]2[1n][1c]3[1cH][1cH][1cH][1cH][1c]3[1c](=[1O])[1o]2)[1cH][1cH]1"]
["196490786","[C+]#[N+]C=c1cc2ccn(C)c3c4c(C)c5c(cc4p(C)c(c1)-[c-]-2-3)=CC=CC5"]
["10897419","Cc1ccc(-n2[nH+]cc3c2CCC[C@@H]3NC2CCOCC2)cc1C"]
["170231281","Cc1ccc2c(c1)c1c(C#N)cc3ccn(C)c4c5c(C)c(C)cc(C)c5[n+]2c1c34"]
["174161273","CN=C/C=C\\c1cc([NH+]=C(O)c2cccc(C(=O)N=C3C=CC=C4C3CC=CN4C)n2)ccc1C"]
["195564009","O=C1CC(SCC(CC2=CC=C2)N=C(O)C2=CC=CC2)C(=O)N1C1CCC1"]
["69432555","Cc1ccc(C2CCCN2S(=O)(=O)CC2CCCCO2)o1"]
["MCULE-1355043901","Cc1cc(Cl)c2c(ccn2C)c1C"]
["172057090","Cn1cc[c+](C=C=c2ccc3ccc4c(/C=C/C5=CC[N+](C)=C=C5)ccc5ccc2c3-[c-]-5-4)cc1"]
["157107775","Cc1ccc([C@H]2CCCCN2S(=O)(=O)C[C@H]2CCCCO2)o1"]
["91158846","CSc1c(C)c(-c2ccccc2)c2ccn(C)c2c1C#N"]
["27730541","Cc1ccc(-n2c(O)nc3c(C(=N)O)nc(-c4cc(C5=CC=CCC5)cs4)nc32)cc1"]
["181407252","Cc1c(F)cc2c(c1F)c(C#N)c(C1=CC=CCN1[C@@H](C)C(F)(F)F)n2C1CCCC1"]
["168518110","[NH-]C1=c2[nH]c(=C3NC4=C(N3)C(=Nc3nc5nc(O)n(O)c(N)c-5n3)N(O)[CH]N4)nc2N=C(O)N1O"]
["174556201","COC(=O)C(C)NP(COc1ccc(Cl)cc1)OCC1CC(C)C(n2ccc3c(N(C)N)[nH]c(=N)nc32)O1"]
["178448051","C=C(Cl)N=C(N)c1nc(O)n(C2=CC=C[C@H]2C)c1N"]
["187831479","CCCCN=c1nc2c(nc(O)n2O)c(N)[nH]1"]
["169730998","N=C(S)c1cccc(-c2cn(C3CCC(F)(F)CC3)c3cc(N)ccc23)c1"]
["174575693","C=C1[C@H](CO)[C@@H](O)C[C@]12CC2C1CC=Nc2c(O)nc(=N)[nH]c21"]
["175182840","C[C@@H](O)[C@@H](N=C(O)CCc1ccc(C2(C)C(O)=Nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c32)cc1)C(=O)O"]
["82483429","OC1=NC(=Cc2cnn3c(=NC4CC4)nc(N4CCC(F)(F)CC4)[nH]c23)C(O)=N1"]
["56359212","NC1=c2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2=N/C1=C1/Nc2cc(F)c(F)cc2N=C1O"]
["159418384","CC1(c2ccc(Cc3nn[nH]n3)cc2)C(O)=Nc2nc(-c3nn(Cc4ccccc4F)c4cc(Cl)ccc34)nc(N)c21"]
["187695176","N/C(=C\\C=N/I)c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)nc(C2C=CC=C(n3c4ccccc4c4ccccc43)N2)c1"]
["159418709","C[C@]1(c2ccc(CCC(O)=N[C@H](CO)C(=O)O)cc2)C(O)=Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c21"]
["96488351","C#CC(O)=NC(CCC(O)=NCC/C=C/C=C(/O)C(=C)O)(CCC(O)=NCCC(=C)/C=C\\C(O)=C\\O)CCC(O)=NCC/C(C=C)=C/C(O)=C/O"]
["114166169","C=CCCN=C(O)CCc1ccccc1N"]
["SN0115166-02","C#CCCCC(=C)CCC(C)/C=C/CCC(O)=NCC/C(=C/C(=O)N1C(=O)C=CC1C)OC"]
["183893527","C#CC(O)=NC(CC#CC(=O)N(N=[N+]=[N-])N=C(O)C#CC)(N=C(O)C=CCC)N=C(O)C=CCCC"]
["94335533","C/C=C/CCN=C(O)CSc1nncn1C1CC1"]
["136445863","OC(CCc1cscn1)=NCCCOc1ncc(C(F)(F)F)cc1Cl"]
["175984697","C#CC1CCC(C(O)=NCCCOCCOCCOCCCN=C(O)CCC(CCC(O)=NCCCOCCOCCOCCCN=C(O)C2CCC(C#C)CC2)(CCC(O)=NCCCOCCOCCOCCCN=C(O)C2CCC(C#C)CC2)N=C(O)OCC2c3ccccc3-c3ccccc32)CC1"]
["188786125","C=C/C(=C\\C(F)=C\\Cl)OCC(O)=NCCC(=C)C(O)=NCCc1ccncc1"]
["147738268","O=C(O)COCCN=C(O)CCC(CCC(O)=NCCOCC(=O)O)(CCC(O)=NCCOCC(=O)O)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["34588361","C#CC(O)=NC/C=C/C"]
["190057641","C=CC(CCC(/C=C\\N)=NC(=C)C1CCCC1)=NCCC"]
["141581459","C=CC(O)=NCCC(O)=NCCc1cc(Cl)c2c(c1)OCCO2"]
["171993547","C1=C2[C-](c3ccccc3N2P(c2ccccc2)c2ccccc2)N2C=1[NH+](c1[c-]c(-n3[c-]ccc3)ccc1)c1ccccc12.[Ag]"]
["65388230","c1ccc(CNn2c3ccccc3n3cc(-c4ccccc4)cc23)cc1"]
["195820755","[C-]#[N+]c1nc2c(nc1N1c3ccccc3SC3C=CC=CC31)C1CC3CC(CC2C3)C1"]
["52936675","COC(=O)/C=C/CN=C(O)CN1C(=O)C(COC(O)=NC2CCCCC2)N=C(c2ccccc2)c2ccccc21"]
["83689","COC(=O)/C=C/CN=C(O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(OC)cc2)N=C(c2ccccc2)c2ccccc21"]
["7230921","CC(C)c1cc(CN2CCN(c3[nH+]c4ccccc4n3CCO)CC2)on1"]
["194559861","CC(C)(C)C1=C[C-](n2c3c(c4cc(C(C)(c5ccccc5)c5ccccc5)ccc42)=C=CC([Si](c2[c-]c(N4CN(c5cc(C(C)(c6ccccc6)c6ccccc6)cc(C(C)(c6ccccc6)c6ccccc6)c5)c5ccccc54)ccc2)(c2ccccc2)c2ccccc2)=C=3)[N-]C=C1.[Pt]"]
["25046310","COc1cc(C(=S)N2CCN(C(=O)C=Cc3cccc(-c4ccccc4)c3)CC2)cc(OC)c1OC"]
["7989011","N#C/C(=C/c1cccn1-c1ccccc1F)c1ccc(Cl)cc1"]
["MCULE-5151176666","CC1CN(c2cc(N(C)Cc3ccccc3)nc(-c3ccc(Cl)cc3)n2)CC(C)O1"]
["171993969","CN1c2ccccc2N(c2[c-]c(-c3cccc4c3ncn4C)ccc2)C2=C=c3c(P(c4ccccc4)c4ccccc4)cccc3=CC21.[Ag]"]
["27136430","OC1=Nc2ccc(Cl)cc2N(CC2CC2)C1(CCc1ccccc1)C(F)(F)F"]
["97021431","CCC1=CC(C[N-]CC[S+]=[S+]CC[N-]Cc2cc(CC)cc(CC)c2)=C[C+](CC)[CH+]1"]
["170082112","CCc1cc([Si](C)(C)C)c(C)cc1[Si](C)(C)C"]
["183422399","CCCCNC1=CCC2=Nc3ccc(-c4ccc(O)cc4)c(-c4ccc(CC)cc4)c3C2=C1"]
["25872184","CCc1cc(CC)c[n+](C(C)CC)c1"]
["MCULE-9323126532","CCc1cnc(-c2ccc(N=CO)cc2)nc1"]
["174876715","C=CC(C)=Nc1cc(CC)cc(C(C)C)c1C(=C)C"]
["168572148","CCc1cc(C)c(O)c(C=Nc2ccc(N=Cc3cc(CC)cc(C)c3O)cc2)c1"]
["184850317","C=P(c1ccc(CC)cc1)(C(C)(C)C)C(C)(C)C"]
["87587261","CCc1ccc(NC(O)=NCCN)cc1"]
["MCULE-8694440393","CCc1ccc(-c2cc(C)cc(N=C(O)Cc3cc(C)no3)c2)cc1"]
["MCULE-2913495835","CCc1ccc(-c2cc(F)cc(N=C(O)Cc3cc(C)no3)c2)cc1"]
["MCULE-9474094044","CCc1cc(F)c(-c2c(F)cc(OC)cc2F)c(F)c1"]
["194566016","C1=NC(NC=C2C=C[CH-]O2)=C2OC=NC2N=1.[Y]"]
["179225617","C/C=C\\C=NC1=C(C(C)=O)C=NC(C)C1C"]
["80945611","O=C1N=CN=C2OC=NC12"]
["194566017","C1=Nc2[nH]ccc2C(NC=C2C=C[CH-]O2)N=1.[Y]"]
["172694480","CCCCCC=C1C=C[CH-]O1.[Br-].[Mg+2]"]
["47575481","CC1=NC(NC[NH-])N=C=N1.[Y]"]
["48767340","CC1=NC(NC=C2C=C[C-](C(=O)Nc3ccccc3N)C=C2)N=C=N1.[Y]"]
["79505864","C1=CC(=CC2[CH+]CCCC2)C=C[CH-]1"]
["55516125","CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1cccc(O)c1"]
["175557498","O=C([O-])C1=C=NC(P)O1.[Np]"]
["183408315","[N-]=[N+]=NC1=C2OC=CC2OC=C1"]
["179641892","O=C1N=C(O)CCC1[I+]C1CCc2c(NC=C3C=C[CH-]O3)cccc2C1[O-]"]
["174481455","CC/C=C\\C/C(OC)=C1\\C[N+](C)(CCC(CC)NCC)C(CC)=C(/C=C(\\CC)C(=O)N(CC)CC)S1"]
["128588865","CCCCn1c(C)cc(C=C(C#N)C(O)=N[C@@H](CO)C(=O)OC)c1C"]
["67004136","CCCNC(CCSc1nc(C)cs1)C(=O)OC"]
["158514121","CCN(CC)C(=O)C1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1"]
["133451851","CCN(CCO)C(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1"]
["50909916","CCC(CO)NCc1cccc(OC)c1OCC(=N)O.Cl"]
["66614034","CCC(=O)N(C(=O)CCCC(N)C(=O)[O-])C1(OC)C(=O)N2C(C(=O)[O-])=C(CO)CS[C@H]21.[Na+].[Na+]"]
["MCULE-4313970060","CCN(CC)C(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1c(OC)ccc2ccccc12"]
["11641601","CCN(Cc1ccccc1)C(=O)Cc1ccccc1OC"]
["181567565","CCN(C)C(=O)OC(CCCOC(=O)N(CC)CC)CN=[N+]=[N-]"]
["MCULE-2754330779","COc1ccccc1NCCC(O)=NC(Cc1ccc(OC(C)=O)cc1)C(=O)N(C1CCCCC1)C1CCCCC1"]
["149505440","CCN(CC)C(=O)CS(=O)CC(=O)OC1CCC(C)CC1"]
["161693219","N#C[As]1(C#N)=c2ccccc2=[As]c2ccccc21"]
["88044388","COc1ccc(Cl)cc1Nc1cccc(C#N)c1"]
["46125295","COc1ccccc1Oc1cccc(C#N)n1"]
["49951224","Cl.N#Cc1ccccc1NN"]
["64543428","Cc1ccccc1C.N#C[O-]"]
["83257686","N#Cc1ccc(F)c(C#N)c1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1"]
["MCULE-4152397011","COc1ccc(F)c(-c2cccc(N=C(O)c3coc(C)n3)c2C#N)c1"]
["90518502","CCc1ccc(C2=NC=NC(=O)C2C#N)cc1O"]
["117517976","COc1ccc(S(=O)(=O)Nc2ccccc2C#N)c(OC)c1C"]
["84642941","CCC(O)(Cc1ccccc1)C(C)(C)C#N"]
["105892520","C[C@](C#N)(c1ccccc1F)N1CCCC1"]
["9828034","CCOC(=O)[C@@H](C#N)[C@@H](c1ccccc1)c1ccco1"]
["184579682","C[C@H](O)CCCC(C1CCCCC1)C12C3CC14C1C5C6C7C(C63)C3C7C6C5C5C1C1C7C8C9C%10(CC(C%11C1C41C%11C21)C7%10)CC91C2C4C3C64C21C58"]
["85169570","CCCNC1(CO)CCC(N(C)C2CCCCC2)C1"]
["90527127","C1CCC(NC2CCCCC2)CC1.CCC(C)(CCC(C)O)C(=O)O"]
["114145291","CCC(C)NC(CN=C(O)OC(C)(C)C)C1CCCCC1"]
["51398784","CC(C)CC(N=C(O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](N=C(O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)O"]
["139139091","CCOC(CCN=C(O)N1CCN(CC(C)O)C(C)C1)C1CCCC1"]
["128383698","CC(C)CCN(CCC#N)C(=O)C1CCCCC1"]
["180899583","CCCC[C@@]1(C2CCCCCCC2)CCC(C(CCC(C)CC2CCC([C@]3(C)CC(CC4(C)CC(CC5CCC(CC6CCCCCCCC6)CCC5C)CCC4C)CCC3C)CCC2C)C(C)CC)CCC1C"]
["107346200","C[C@@H](CC(=O)N(C)[C@@H](C)CC#N)C1CCCCC1"]
["112181809","CC(C)(C)OC(O)=NCC(NC1C2CCOC2C1(C)C)C1CC1"]
["176034911","C[C@@H](O)CCCCN(C)C1CCCCC1"]
["67442320","CN1CCOC[C@H]1C(O)=N[C@H](C(O)=N[C@H](C(=O)N1C[C@]2(C[C@H]1C(O)=NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C21CCC1)C(C)(C)C)C1CCCCC1"]
["32602159","CC(C)c1ccc2c3c(c(=C(c4c5ccc(C(C)C)ccc-5c5sccc45)c4c5ccc(C(C)C)ccc-5c5sccc45)c-2cc1)=CC=[S+]3.F[P-](F)(F)(F)(F)F"]
["MCULE-4473639673","COC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C(C)C)cc1)C2=O"]
["80812017","CC(C)c1ccc(C(N=C(O)CC2C(O)=NC(c3cccnc3)NC2C)c2cccs2)cc1"]
["MCULE-2423932010","Cc1nc(Nc2ccc(C(C)C)cc2)nc(O)c1-c1ccccc1F"]
["64028780","CCCCOOc1ccc(C(C)C)cc1"]
["176633047","C.CCC.Cc1cc(-c2ccc3ccccc3c2-c2ccc(C(C)C)cc2)cc2c1-c1ccccc1C21c2ccccc2-c2ccccc21"]
["12843788","CCS(=O)(=O)CC(O)=N[C@H](C)c1ccc(C(C)C)cc1"]
["MCULE-4387615734","CCC1CN(C(=O)COc2ccccc2-c2sccc2C)CCN1C(C)C"]
["MCULE-6479892066","Cc1csc(C)c1N=C(O)c1ccc(-c2ccc(C(C)C)cc2)cc1F"]
["92519825","Cc1ccc(NCc2ccc(C(C)C)cc2)cc1N(C)C"]
["128995486","Cc1cnc(CN=C(O)N(C)Cc2ccc(C(C)C)cc2)s1"]
["MCULE-2798155361","COc1ccc(N=C(O)c2cc(-c3ccc(C(C)C)cc3)ccc2OC)cc1OC"]
["170774297","O=C(O)C(O)C(O)C(=O)OO.O=C(O)C(O)C(O)C(OP1O[O+]=C(C(O)C(O)C(=O)O)O1)=[O+][O-].[In+2]"]
["142687399","O=[N+]([O-])c1ccccc1OCC(O)CS(=O)(=O)CC=Cc1ccccc1"]
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["CSSS02525581049","Clc1cccc2ccc(N3CCCNCC3)nc12"]
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["164423005","Cc1cc(N2CCc3c(ncnc3N3CCNCC3)C2)c2ccccc2c1"]
["174347972","CCOCCn1nc(CNC2CCCC2)c2c1C(Nc1ccncn1)NC(N1CCNCC1)=N2"]
["184850750","CN(C)CCOc1ccc(N2CCNCC2)cc1.Cl"]
["172307140","Cn1cc2cc(N=C(O)c3ccc(N4CCNCC4)c4cnc(OCCN)nc34)cc(F)c2n1"]
["169980856","CC(C)c1n[nH]c2c1-c1nc(Nc3ccc(N4CCNCC4)cn3)ncc1CC2"]
["172854345","CC(C)c1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1N1CCNCC1"]
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["142201418","CC1(C)CC(N=C(O)c2ccc(N3CCCC3)c(F)c2)C(C)(C)O1"]
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["179319788","N#CC1(c2ccc3c(N)ncnn23)CC[C@@H](C[O-])O1.[Tl+]"]
["186451667","CC1OC2(C(=O)O)CC1(N=C(O)OC(C)(C)C)C2"]
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["100710728","CC(C)(C)OC(=O)N1C[C@@H](/C=C/c2c(F)cccc2[N+](=O)[O-])OC[C@H]1C(=O)O"]
["131222923","Cc1nn(-c2ccc(F)cc2)c(C)c1C(O)=NC1CC(C)(C)OC1(C)C"]
["187530744","CCN1C(=O)N(OS(=O)O)C2(CC2)C[C@H]1c1nnc(CN)o1"]
["185975","N[C@]1(C(=O)O)C[C@@H]2C(C(=O)O)=NO[C@@H]2C1"]
["199298066","[B]CC1NC(NC2CC3OCOC3C([C-]3CCCNCC3)C2)NC(NC([B+])([B+])[O-])C1F"]
["113517052","COc1ccc(CN(C)CC2CCCNC2)c(Cl)c1OC"]
["199298266","CNC1CC(C)NC(NC2CC3CCOC3C(C3=CCNCC(F)C3)C2F)N1"]
["28019562","O=C(C1CCCO1)N1CCN(Cc2cc(Cl)cnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1"]
["113577879","Clc1occc1CN1CCNCC1"]
["96870508","OC[C@@H]1N[C@@H]2C[C@H]1[C@H]1OCO[C@H]12"]
["172496688","CNC1CC(C)NC(NC2CC3CCCOC3C(C3=CCNCCC3)C2C)N1"]
["18857030","COc1ccc(Cl)cc1CN1CCCN(S(C)(=O)=O)CC1"]
["171885687","CCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(N2CCN(C3CCCCN3)CC2)N1"]
["183591446","CCS(=O)(=O)c1ccc(Cl)cc1CN1CN=Cc2cc(C(F)(F)F)c(CN3CCNCC3)cc21"]
["137612152","Cc1c(C(O)=NCC2CCCOC2c2ccccc2)nnn1C1CCNCC1.Cl"]
["147248756","Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CC1CCCNC1"]
["20025870","CC(C)Oc1cc[nH+]c(C[S@@](=O)C2=NC3=CSCC3=N2)c1Cl"]
["134947158","COc1ccc(CN=C(O)C(C)C2CC2)cc1Cl"]
["123501626","Cc1cc(C[S@@](=O)CC(O)=N[C@@H](C)c2ccccc2Cl)no1"]
["52559382","CC(OC(=O)c1ccc(SCc2cscn2)cc1)C(=O)c1ccccc1"]
["127817624","CC(C)OC(=O)c1ccc(CN2CC[C@@H](O)C2)cc1"]
["147658765","CC(C)Oc1cc(F)ccc1CCCCN1CCC(C)(Oc2ccc(Cl)cc2)CC1"]
["151151124","CCOc1ccccc1C1=NC(=O)[C@H]2Cc3cc(Cl)ccc3OC2=N1"]
["MCULE-7157505366","CC(C)Oc1cccc(C=CC(=O)OCC(=O)OC2CCC(C(C)(C)C)CC2)c1"]
["1578181","Cc1ccc(C(C)C)c(OCCCOc2ccc(Cl)cc2/C=C2\\SC(=S)N=C2O)c1"]
["133500360","COc1ccc(CCC(=O)OC(C)C2CC2)c(OC)c1OC"]
["MCULE-9358861329","CC(C)Oc1ccccc1-c1ccncc1NC(=O)c1ccncn1"]
["66619321","CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc2[nH]ccc2c1"]
["173669340","[B+]=[O+]C1CCC(SSCCCOC2[C-]=C3CCC4C(CC[C@@]5(C)C4CC[C@@H]5NCC(F)(F)C(F)(F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C3=[C-]C2)C1"]
["98641609","CN(CCCCCCCC(F)(F)C(F)(F)F)CCCCCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]
["SN0407984-01","CCC1(/C=C2\\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@]5(C6=CC[C@@H](C)CSSCN=C7C=C(C=C[N]7)[C@H](CCC[OH2+])C4=C5C(=O)O6)[C@@H]32)CCCC1"]
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["27490067","C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC(OCC(=O)O)[C@@]43C)[C@@H]1CC[C@@H]2O"]
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["176478778","CCC(CCCC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C"]
["51397646","CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC(=O)CC(=O)CCC(=O)[C@H]3CC[C@]12C"]
["84193013","CCC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(O)C(F)(F)C(F)(F)F"]
["174537809","CC(=NO)Oc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@H](O)CC[C@H]3[C@@H]1CC2"]
["164249530","CCCOc1ccc2c(c1)CCC1C2CCC2(C)C(OCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CCC12"]
["1049529","C[C@]12CC[C@@H]3c4ccc(I)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"]
["178402645","C1=NC(=c2nncc3c2=[O+]C=N3)c2cnsc2N1c1nncc2sncc12"]
["195948063","O=S(=O)(O)CCc1ccc2c(ccc3sncc32)c1"]
["48742299","CCC(C)(C)NCC(O)COc1cccc2sncc12"]
["163361984","Brc1nccc2sncc12"]
["91654649","[N-]=[N+]=Nc1cc([N+](=O)[O-])cc2sncc12"]
["MCULE-3780759658","Cc1cccc(C(=O)N2CCC3(CCN(Cc4ccnnc4)CC3)C2)n1"]
["99924433","C[C@@H]1C[C@H](NC(=O)O)CN(c2sncc2[N+](=O)[O-])C1"]
["179987170","[CH3-].[U+2].[c-]1cccc2sncc12"]
["174271042","N#Cc1ccc(-c2nnc(N[C@@H]3CCCN(CCF)C3)c3sncc23)c(O)c1"]
["83427681","COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3sncc3-c3ccccc3)C2)c1"]
["185466545","Oc1c(Cl)cc2sncc2c1Cl"]
["181927585","[N-]=[N+]=Nc1cccc2sncc12"]
["811163","C[n+]1c2ccc(=N[N+]#N)cc-2sc2cc(=NN=[N-])cc[c-]21"]
["MCULE-6000791910","Cc1c[nH]ccc1=NC(=O)c1cc2c(Cl)cccc2s1"]
["97628536","CC1=NC(=N[N+]#N)C=CC1=[N+]([O-])O"]
["51782062","C/C(=N/N=C1N=C(O)[C@@H](CC(O)=Nc2ccccc2C#N)S1)C(C)C"]
["MCULE-6218183250","CC(=O)c1ccc(-c2cnc(N=C(O)c3ccnc(N4CCOCC4)c3)c(C#N)n2)s1"]
["182813692","CN=c1cc(S(=O)(=O)N=[N+]=[N-])cc[nH]1"]
["171145409","CN(C)N=c1oc2ccccc2cc1C(=N)O"]
["100199207","N#[N+]N=C1C=CC=C2C1=CC=CC2=NN=N"]
["48764540","CC(=O)N=c1ccc2[n+](C)[cH-]ccc-2c1.I"]
["MCULE-2800366801","N#CCc1ccc(N=C(O)c2ccc(-c3cncc(C#N)c3)s2)cc1"]
["141827219","N#Cc1ccsc1C(=O)NCCCN=C(O)c1cccc(O)c1"]
["46975232","CN=C(O)c1cccc(NC(=O)c2ccc(C(=O)OC)s2)c1"]
["174100352","[B]=C1[CH-]C(=[B])[C-]([C-]2C(=[B])C(=[B])C(=[B+])C(=[B+])C2=[B])[C-]([C-]2C(=[B])C(=[B+])C(=[B+])C(=[B+])C2=[B])C1=[B]"]
["173964836","[B]=C1C(=[B])[C-]([C-]2C(=[B])C(=[B])C(=[B+])C(=[B+])C2=[B])[C-](C(C)(C)CC)C(=[B])C1=[B+]"]
["174084295","[B]=C1C(=[B+])C(=[B+])C(=[B+])C(=[B])[C-]1[C-]1[N-][C-]([C-]2C(=[B])C(=[B+])C(=[B+])C(=[B+])C2=[B])[N-][C-]([C-]2C(=[B])C(=[B+])C(=[B+])C(=[B+])C2=[B])[N-]1"]
["173855066","[B]=C1C(=[B+])C(=[B+])C(=[B+])C(=[B])[C-]1[C-]1[C-]2C(=[B])C(=[B+])C(=[B+])C(=[B])[C-]2[C-](Br)[C-]2C(=[B])C(=[B+])C(=[B+])C(=[B])[C-]21"]
["179568212","[B]=C1C(=[B+])C(=[B+])C(=[B])[C-]2[C-]1C1C[C-]3C(=[B])C4C(=[B+])C(=[B+])C4C(=[B])[C-]3CC21"]
["174027216","[B]=C1C(=[B])[C-]2[C-]([C-]3C(=[B])C(=[B+])C(=[B+])C(=[B+])C3=[B])[C-]3C(=[B])C(=[B+])C(=[B+])C(=[B+])C3(C3(C)C(=[B+])C(=[B+])[c-]4o[c-]5c(=[B])[c-]6c(=[B])c(=[B+])c(=[B+])c(=[B])[c-]6c(=[B])[c-]5[c-]43)[C-]2C(=[B])C1=[B+]"]
["175548666","[B]=C1C(=[B+])C(=[B+])[C-](N)[C-]2CN([C@@]3([B+])CCC(O)=NC3=O)C(=O)[C-]12"]
["174096698","[B]=C1C(=[B])[C-](Cl)C(=[B+])[C-](Cl)C1=[B+]"]
["174072825","[B]=C1C(=[B+])C(=[B+])C(=[B+])C(=[B])[C-]1[C-]1C(=[B])[c-]2[c-](s[c-]3[c-]2[C-](C)C(=[B])C(=[B+])C3=[B+])C(=[B+])C1=[B+]"]
["174076937","[B]=C1C(=[B+])C(=[B+])C(=[B+])C(=[B])[C-]1[C-]1C(=[B])[c-]2[c-]([nH][c-]3[c-]2c(=[B+])c(=[B+])[c-]2[c-]4[c-](s[c-]23)C(=[B+])C(=[B+])[C-]([C-]2C(=[B])C(=[B+])C(=[B+])C(=[B+])C2=[B])C4=[B])C(=[B+])C1=[B+]"]
["174116106","[B]=C1C(=[B])[C-]([C-]2C(=[B])C(=[B])C(=[B+])C(=[B+])C2=[B])[C-](C(C)C)[C-]([C-]2C(=[B])C(=[B+])C(=[B+])C(=[B+])C2=[B])C1=[B]"]
["174096710","[B]=C1C(=[B+])C(=[B+])C(=[B+])C(=[B])[C-]1[C-]1C(=[B])C(=[B+])C(=[B+])C(=[B])[C-]1[C-]1C(=[B+])[C-](Cl)C(=[B+])C(=[B+])[C-]1N([O-])[O-]"]
["172840300","N=C(O)C1C=NC=C2C=CN=C2C=C2C=Nc3ccc(cc32)OC=CO1"]
["67713243","C1=CC(=C2C=Nc3ccccc32)NO1"]
["68545052","CCCCCNC(=N)NN/C=C1/C=Nc2ccc(O)cc21"]
["174414961","Cl.O=C(O)C12C=NC=C1c1ccccc1N=C2"]
["172231042","C1=NC=C2C=NC(c3ccccc3)=C12"]
["76476470","N=C(O)C1=CC2=NC=CC(=S)C2C=C1"]
["82572234","Nc1cc(F)ccc1C(=O)O.O=C1N=CN=C2C=C(OCCCO)C=CC12"]
["193574478","N=C(O)C1CC2(NONO2)c2cc(F)ccc2O1"]
["54494113","N=C(O)C1CCCN(C(=O)CSC2=NN/C(=C3\\C=Nc4ccccc43)O2)C1"]
["168706570","CCCCC(O)=Nn1c(O)c(C=C2C=Nc3ccccc32)sc1=S"]
["168157116","Cc1cccc(N=C(O)Cn2c(O)nc(/C=C3\\C=Nc4ccc(Br)cc43)c2O)c1"]
["195875367","CC12N=C(c3ccccc3)C=C(Cl)N1N=CC2Br"]
["164028041","N#Sn1c(SC(F)(F)F)c(SC(F)(F)F)c(SC(F)(F)F)c1SC(F)(F)F"]
["131630970","FC(F)(F)Sc1ccccc1NCCn1cccn1"]
["193622829","[O-]B([O-])Oc1ccc(C(F)(F)F)cc1C(F)(F)F"]
["145594774","Oc1cc(SC(F)(F)F)cc(F)c1Br"]
["171188529","CC1(C)COC(O)=N[C@@H]1c1ccccc1SC(F)(F)F"]
["146441966","CNCCNS(=O)(=O)c1ccc(SC(F)(F)F)cc1"]
["159296127","CCc1ccc(CC(=O)O)c(SC(F)(F)F)c1C"]
["200374153","N#C/C(=N/Nc1c(Cl)cc(SC(F)(F)F)c(Cl)c1Cl)C(=N)N"]
["166691353","CC(=O)C(Br)c1ccc(SC(F)(F)F)cc1C(F)(F)F"]
["198236141","Nc1cccc(SC(F)(F)F)c1C(=O)CCCl"]
["159056508","FC(F)(F)Sc1c(C(F)(F)F)ccc(C(F)(F)F)c1I"]
["46663017","N=C(O)Cc1ccc(SC(F)(F)F)cc1"]
["99327240","NC1=C[CH+][C+](C2=CC=C(N)C([As-])([As-])C2)C=C1"]
["186242397","N=C/C=C1/C=C(N)C=CN1"]
["99795046","CC1(Cl)CC(C(N)=O)=CC=C1N"]
["102867479","O=C1[C@@H]2[C@@H]3C(=O)[C@]45[C@@H]6C=C[C@@H]7C6C6[C@@H]([C@@H]2[C@H]3[C@H]64)[C@]175"]
["185256285","CNC1(C)C=CC(N)=C(N)C1"]
["183132425","CCC1(C)CC(NCCO)=CC=C1N"]
["49900301","NC1=CCC(N)(Cl)C=C1"]
["179150027","CC1(C(=O)/C=C/c2ccc(Br)cc2)CC=NC=C1O"]
["184319962","C=C1C=CC(N)=CC=C1N"]
["184248452","CC12C=CC(N)=CC1C2"]
["85202752","CC1(C)CN(c2ccc(N)cc2Br)C1"]
["172733832","NC1=C(F)CC(F)(Br)C=C1"]
["175429678","CC1=NC(C)=C(C)SC1(C)SSC1(C)C=NC=CS1"]
["80155512","CCC(C)CC1=C(C)SC2=NC(SCC(O)=NC3(C#N)CCCC3)=NC(=O)C21"]
["83973810","Cc1ccc2c(c1)OCC(C)(CCl)S2"]
["86237143","CC1(Cn2c(S)n[nH]c2=N)CCCS1"]
["61634595","Cc1ccc(F)c(OC2CC(Br)C2(C)C)c1"]
["23698939","Cc1ccc(C2Sc3ccccc3N=C3CC(C)CC(O)=C32)cc1"]
["174495690","CSC1(c2ccccn2)C=CC=CN=C1.[B]C"]
["166513714","Cn1ncc2c1CN(CC1(C)CCCS1)C2"]
["93701666","Cc1cncc(C(NN)C2(C)CCCS2)c1"]
["173882338","CSc1sc(C(=N)N)cc1C1(c2ccno2)CSC=N1"]
["160445512","Cc1ncc(NC(O)=NCC2(C)CCCS2)c(C2CC2)n1"]
["34550851","Cc1ccc(C2=NNC(C)(c3ccccc3)S2)cc1"]
["174813327","FC(F)(F)C1C(=S)C=C(C(=S)N=S)C(=S)C1=S"]
["MCULE-3857025661","OC(=Nc1ccccc1)[C@H]1C[C@H](C(F)(F)F)C1"]
["197561859","NC1CC(O)CCC1C(F)(F)F"]
["167040072","Cc1cc(NC(S)=NCC(C)C)cc(C(F)(F)F)c1"]
["74072440","CC(C)(F)C(C)(C)c1[c]cccc1"]
["186427563","Cc1cn2c(n1)CC(C(O)=Nc1cnc(C(F)(F)F)c(C)c1)CC2"]
["94034804","CC(O)C(C)(C)N=c1cc[nH]cc1Br"]
["170192090","OC(CC1CC(F)(F)C1)=NC(c1ccn2cc([C@@H](N=C(O)[C@@H]3C[C@H]3C(F)(F)F)C3CCC(F)(F)CC3)nc2n1)C1CC1"]
["147988243","CC1=CO[C@H]([C@](O)(N=C(O)[C@@H](C)C(=O)O)C(=O)O)N=C1C(=O)O"]
["50107210","CC(N=C(O)C(F)(F)F)c1cccc(O)c1"]
["170315381","CC(F)(F)C(F)(C(O)=Nc1cc(Cl)nc(Cl)c1)C(F)(F)F"]
["67847974","CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(O)=Nc1ccc(Cl)c(Cl)c1"]
["168782896","O=S1C2C(Br)=C[C@@H]1[C@H]1[C@@H]2C(Br)=C[S@@]1=O"]
["90693078","CC=C(C)C(=O)OC1C(C)=CC=C(C=O)C1(C)C"]
["162753045","CC1(C)CN(C(=O)c2cn[nH]c2)CC1Br"]
["45445278","CC1CNC(c2ccc(Cl)s2)CS(=O)C1"]
["120977255","O=C1NCCN(c2cccc(Br)c2)C1=O"]
["185129813","O=C1NCC2C(=O)C(Br)=CC=C12"]
["45913291","NS(=O)(=O)c1ccc(C2=CC3CNCC3C2)s1"]
["143974060","COc1cc(Br)c(S(=O)(=O)N2CC(C)NC(C)C2)cc1Cl"]
["187139673","[B+]=C1C([O-])=C([O-])C(=[B+])N2C(C(=O)c3cc(Cl)c(O)c(Br)c3)=C(C(C)O)NC12"]
["162092494","Brc1ccc(C2CNC2)o1"]
["140264842","CC1(C)C2CN(C(=O)c3cc(Br)c(O)c(Br)c3)CC21"]
["66797198","Brc1ccc(SC2CNC2)nc1"]
["186725197","C=C/C=C(/C=N/C(=C/C=C)/C(=C\\C=C)SSC(=C/C=C)/C(=C\\C=C)/N=C\\C(=C\\C)\\C(O)=C/C=C)C(\\O)=C/C"]
["176758790","C=C/C=C(\\C=C/C)Sc1ccc(C)cc1.CF"]
["79061469","C=C/N=C\\C(O)=C/N"]
["173293280","C=C(N=C/C(=C\\N)C(=O)OCC)SC"]
["187635206","C=C/C=C(N)\\C(=C/C=C)N1CN1C(=C/C=C)/C(O)=C\\C=C"]
["189950875","C=C/C=C(\\N=C(C)C)c1n[nH]cc1C"]
["180335593","C=C/C=C(\\CC)N=C(O)ONC"]
["174513918","C=CCSNC(=NCCCN=C(C)O)C(C)/C=C\\C"]
["148690763","C=C/C=N\\C(=C/C)C(=O)OC"]
["176309180","C=C/C=C(\\C=C(/C)C(C)C)C(=C)/C=C\\C(=C(C)C)C1CCC1(C)C"]
["75093434","C=C/C=C(\\C=C/C)/C=N/N(C)c1ccccc1"]
["187896118","C=C/C=C(\\C=C/C(C)C=O)C(=NC)/C(C)=C(\\C)NC"]
["184430187","C=S(I1C=ICC1)I1[CH-]C=IC1"]
["178561524","IC1=ICCC[CH-]1"]
["185008460","C1=N[CH-]C=IC1"]
["178255916","C1=ICI=I[CH-]1"]
["180631401","C=[C-][N+](=C=CC)C(=O)N1[CH-]C=ICC1"]
["168365235","N=c1nc(-c2c[nH]c3cc(O)ccc23)s[nH]1"]
["180509879","CCI1[CH-]C=ICC1"]
["136907327","Cc1cc(O)cc(=O)n1CC(=O)N1CCN(C(=O)C(C)(C)C)CC1"]
["180385999","[CH-]1CCI=I1.[U]"]
["180462384","C=S(C1=IC1)c1ccc2c(c1)=C[CH-][CH-]C=2"]
["161738097","C1=ICC[CH-]1"]
["173873078","Cc1ccccc1C(=O)OC1=ICCC[CH-]1"]
["178735724","OC=C(CO)CC12CC1[NH2+]C1C=CC=CC12"]
["184414104","C[C@]1(CO)C2C=CC(CC2)[C@@]1(C)CO"]
["151277842","C[C@@H](C1CC1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2"]
["91149932","C1=CC2C=C3CCCC3(C=C1)C2"]
["65556865","COC(=O)[C@@]1(CO)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@H]21"]
["154220440","C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]2(C)[C@@H]1C(=O)CO"]
["154173608","C[C@@H]1CC=C2C[C@H](CO)C(C)(C)[C@@]2(C)[C@@H]1C"]
["108915438","O[C@@]12C=CC=C[C@@H]1O2"]
["187212956","CC1CC(C)(O)CC(C)C1CO"]
["186967122","CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CC[C@]2(OCN=O)C(=O)CO"]
["181026328","CC(C)(C)OOC1CC(CO)CC(CO)(CO)C1"]
["162589171","O=C1C=C[C@H]2CCC[C@@]2(CO)C1"]
["193403481","C[C-]=[N+]=C1NC2=[N+](C)[C-](C)[N-]C2=C=[NH+]1.[W].[W]"]
["47752874","CC1=[N+](C[O+]=CP)[C-](C)[N-][N-]1.[U]"]
["112287682","CCc1ccc(C2=NO/C(=C3\\C(=O)C=CC=C3F)N2)cc1"]
["81441899","C[C-]1[N-]C2C(=S)N=C=NC2=[N+]1C.[Y]"]
["69601830","C=CC=C1C#[N+][N-]N1[O+]=[C-]C.[V].[W]"]
["61619348","C[C-]1[N-]C2=C(N(C)C)N=C=NC2=[N+]1C.[Y]"]
["51859929","CC1=C2[N-][C-](C)[N+](C)=C2N=C=C1.[Y]"]
["179975087","COc1cc(NC(C(=O)c2cc(C)sc2C2=CCCC=C2)c2ccccc2)cc(OC)c1"]
["178197129","C[C](C)C(C)(C)OB=c1ccc2c(c1)[N-][C-](C)[N+]=2C.[U]"]
["174478172","COC1(C)C=C=C2[N-][C-](C)SC2=C=C1.[V].[V]"]
["43623221","[CH-]=C(C(=N)O)C(C)=[N+]=[C-]C.[V]"]
["191478268","CSC1=NC2=[N+](C)[C-](C)[N-]C2=C=[NH+]1.[W]"]
["148583248","N=NC1C(N=O)OC(CN=O)C(N=O)[C@@H]1N=O"]
["98236125","CCCOC(=O)C1SCC(CC)C1N=O"]
["161868700","[2H]CC(C)(C)C(O)=NC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]
["100409601","O=NCC1OCCS1"]
["185663368","CCCOC1CC2CC1C(N=O)C2Cl"]
["180277565","O=NCC1CCC2CCC2C1"]
["25778935","BrCC1OC1CBr"]
["163929465","CC(C)=N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-]"]
["75345738","CC1O[C@H](CO)C(N=[N+]=[N-])C1C"]
["73841464","CC1OC(CO)C(O)C(N=O)C1O"]
["178971313","CCC1C(O)CCCC1N=O"]
["157020149","CC[C@@H]1OCC[C@@H]1CN=C=O"]
["CSSS20621778233","CCCC1CN(c2nc(N3CCOC4(CCC(C)(C)C4)C3)nc3c2COC3)CCN1CCOC"]
["15450846","COCCN1CCC[C@H]1CN=C(O)CC[NH+]=C(O)N(C)Cc1ccccc1"]
["106718785","CC(=O)N1CCC[C@@H]1c1cc(N=c2[nH]ncs2)nc(C)n1"]
["125501411","CCCC1CN(CC(O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC"]
["81435188","CCc1ccc(C)c(OCc2c(C)nc(-c3c(C)cccc3C)nc2N2CCN(CC(=N)O)C(C)C2)c1F"]
["69296961","CCCC1CN(CC(O)=NC(C2CC2)C2CC2)CCN1CC(O)=NC(C1CC1)C1CC1"]
["147918295","COCCN1CN(c2nc3ccccc3s2)CC1=O"]
["177099065","CCC[C@@H]1SN=C(O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)/C=C\\C[C@@H]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]
["31118894","COCCOc1nc(N2CCOCC2)c2cc(CNc3ccccn3)ccc2n1"]
["82933762","COCCC1CN(C2=c3cc(C)sc3=NC3=C(CCC(F)=C3)N2)CCN1C"]
["135145833","CCOCCN1CCN(c2ccccc2[N+](=O)[O-])CC1CC"]
["167014604","CCc1cc(F)c2nc(N3CCC(NC4CCOC4)CC3)c(-c3nc(C)no3)cc2c1"]
["199917150","[B+]=c1cc2c(NO)c([N-][O-])c3c(c2s1)SC(=[Br+])C=3"]
["175368954","CC.[B+]=C1C=c2c(c3cc(O)c([O-])cc3n2C)=CC1O"]
["99756576","[B+]=C1C=C(C(=N)O)C(=NC(N)[O-])S1"]
["111785703","CCNC(=O)c1sc(NC)c(C(=O)OCC)c1N"]
["163177155","N#CCc1ccc(C=O)c2cc(F)sc12"]
["163361845","COC(=O)c1cc(N)cc2c(I)csc12"]
["62987514","O=C1N=c2ncccc2=C1c1[nH]c2ccccc2c1NO"]
["175006879","C=C(NCC(=O)OF)c1nc(Cl)c2c(sc3ccc(N)cc32)c1C"]
["163361871","COC(=O)c1cc2c(N)c(I)ccc2s1"]
["172588022","[B+]=c1cc(Br)c(=C[O-])s1"]
["163205636","COC(=O)Cc1cc2cc(O)cc(N)c2s1"]
["163334195","COC(=O)Cc1cc2ccc(Br)c(N)c2s1"]
["179242093","CNC1CCC2[C-]=C(/C=C3\\C(=N)N(C)C(=N)N(C)C3[O-])C[I+]C2C1"]
["198879669","CNS(=O)(=O)c1ccc(-c2nnc([C@H]3CCCN(C)[C@H]3C)o2)cc1"]
["157892302","CN[C@@H]1CC[C@@H](c2cnn(C)n2)C1"]
["200146989","CNC1C=CC(c2cc(C3CC3)n(C)n2)=CC1"]
["93904703","COc1cccc(CNC2CCC(C)C2)c1O"]
["106469439","CCS[C@@H]1CC[C@@H](NC)C1"]
["191037361","Cc1cccc(C(=O)c2ccc(C(N)=O)cc2)c1O.N=c1nc(C(=O)N[C@H]2CCNC2)cc[nH]1"]
["65893291","CNC1CCC(CC2Cc3cc(F)ccc3O2)C1"]
["43445670","CCn1nccc1C1CCC(NC)C1"]
["104702044","CN[C@H]1CCN(c2ccccc2C)C1"]
["197554440","CNC1CCC(C)C(c2ccn(C)n2)C1"]
["180403663","CNC1CCC(c2nnco2)CC1"]
["179620721","C=I1=CC(N2N=NC([n+]3cncnc3)=I2=C)=CN1"]
["77543185","O=C([O-])C1=Nc2ncnn2C(c2cc(F)ccc2F)C1"]
["162928602","CSc1cc(N2CCCN2)ncn1"]
["113112818","N=c1nc(NC2(C(F)(F)F)CC2)[nH]c(-n2cncn2)n1"]
["168405612","[B+]=c1cnn2c1=NC(c1ccccc1[O-])=CC2NCC1CC1"]
["178990938","C=I1=C([C@H](C)C(C)C)N=CN1"]
["162191562","NC(c1cncnc1)C1(O)CCCC1"]
["158740648","Nn1ncnc2ncnc1-2.c1cncnc1"]
["198585122","C1=c2ccc([nH]2)=c2ccc3nccc4ncnc(c34)n21"]
["23255723","OC1=Nc2c(-c3ccc(F)cc3)cnn2C(C(O)=Nc2cc(F)c(F)c(F)c2)C1"]
["111479155","N=c1[nH]nc(-c2cnn3ccccc23)o1"]
["47376339","CC(=O)[O-].C[n+]1cncnc1"]
["161721647","O=S1ON(C(S)=NO[I+2]([O-])[O-])O1"]
["159447265","COC(=O)N1CCN(C(S)=NC(C(=O)O)C(C)C)CC1"]
["162329501","O=S1OP(=O)([O-])O1.[K+]"]
["161794921","CC1(Cl)OS(=O)OC1(O)O"]
["148714291","[CH2]Cn1cc([N+](=O)[O-])c(=NC(=O)OC(C)(C)C)[nH]1"]
["164450778","O=C1OCC(O)C1C(S)=NO"]
["79488721","O=C([O-])CCC(=O)S.[Na+]"]
["95335756","COCCCN=C(S)N1CCS(=O)(=O)CC1"]
["33693623","CN(C)C(=O)C1(C)COS(=O)O1"]
["194352135","CCON=C(Cn1cc(C(=O)[O-])c2cc(F)ccc21)c1cccc(OC(F)(F)F)c1.[Na+]"]
["182627861","COC(=O)C1=C(F)OS(=O)O1"]
["103030508","O=C(S)N1C=CC=CC1"]
["174268010","CN=C1NC(=N)C(C)(c2cccc(C3COC(C)(C)O3)c2)CCC(C)(C)CSCCc2c(c(F)cc3[nH]ccc23)Oc2ccc(F)c1c2"]
["180903471","Cc1cc(F)c2cc3c4cccc5c(F)ccc(c6ccc(F)c(c2c1)c63)c54"]
["133308847","Cc1ccsc1C(O)=NN=C(O)C1CC1c1ccc(F)c(F)c1"]
["191642763","CN=C(O)[C@@](C)(C(=O)CO)N(C)C(=O)c1ccc(C#Cc2ccc(C3COC(C)(C)O3)cc2)cc1.CN=C(O)[C@@](C)(C(=O)CO)N(C)C(=O)c1ccc(C#Cc2ccc([C@H](O)CO)cc2)cc1"]
["158853507","Cc1cc(=NC(=O)N2CCSC(C)(C)CC2)[nH]n1-c1cccc(F)c1"]
["MCULE-1716707689","Cc1c[nH]cc(-c2cccc3[nH]ccc23)c1=NC(=O)Cc1cc([N+](=O)[O-])ccc1F"]
["82332974","Cc1cccc2c1OCC2COc1ccc(C(=O)C(C)(C(=O)O)c2cccc3[nH]ccc23)cc1"]
["166783474","CC1(C)OC[C@H](COc2cc3[nH]cc(C#N)c(=Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2N=C(O)C[C@@H]2CCSS2)O1"]
["61106411","OC(=N[C@@H]1CCCc2ccccc21)Nc1ccc(F)cc1Br"]
["123209482","Cc1cccc(F)c1NC(O)=NC1CCN(S(=O)(=O)C2CC2)CC1"]
["171079391","CC1(c2cccc(CCC(=O)O)c2)CCC(O)CCc2cn(nn2)Cc2c(c(F)cc3[nH]ccc23)Oc2ccc(F)c(c2)-c2ncc1[nH]2"]
["47202208","CCOC(=O)c1cc(-c2ccc(F)c3cc[nH]c23)on1"]
["83051070","O=C1C2N=CSC2C2C1SC1C3SC=NC3C(=O)C12"]
["9247345","O=C1CCCN1c1ccc(C2=NNC(=NC[C@H]3CCCO3)SC2)cc1"]
["48636142","O=C1C2C3CC4C2C(=C2SCCCS2)C2C1C3C42"]
["173499091","O=C1c2ccccc2C(=O)C2C1CCC1SC3C(CCC4C(=O)c5ccccc5C(=O)C43)SC12"]
["172407176","[2H]C1=C([2H])C2C(=O)C3SC([2H])=C([2H])C3C(=O)C2S1"]
["153254378","CC/C=C/C(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)N=C2O)cc1"]
["174489215","COC(C)(C)c1ccc(N2CCCC2=O)cc1"]
["81564645","CC1C2C(=O)C3C(F)=C(F)SC3C2C(C)C2C(=O)C3C(F)=C(F)SC3C12"]
["192463322","[2H]c1cc([2H])c2nc(C([2H])([2H])[2H])n(C3C(=O)CC(=O)CC3([2H])[2H])c(=O)c2c1N"]
["76650338","CCC1C=NC(=O)C=N1"]
["12641609","CCC(=O)C[C@@](C)(O)NC1=C[C@@H]([C@H]2SC=C[C@H]2n2c(C)ccc2C)N=N1"]
["65113581","Cc1sc(-c2ccc(Cl)s2)nc1C1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CC[C@H]2O1"]
["193763102","O=[N+]([O-])c1cc(-c2ccc(O)c(O)c2)ccc1-c1ccc(O)c(O)c1.O=[N+]([O-])c1cc(O)c(O)cc1-c1nnc(-c2ccc(O)c(O)c2)s1.Oc1ccc(-c2cnco2)cc1O"]
["97588605","COc1ccc(-c2cnco2)cc1-c1ccc(C#N)cc1"]
["53606320","Cc1csc(CN=C(O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1"]
["187392472","Cc1ccc(CSNC(Cc2coc3ccccc23)B(O)O)c([N+](=O)[O-])c1"]
["MCULE-3001081469","O=[N+]([O-])c1cc(C(O)=Nc2cnns2)cc(-c2ccccc2OC(F)(F)F)c1"]
["114015085","Cn1nccc1CN=C(O)c1cc(F)cc([N+](=O)[O-])c1F"]
["64082602","O=C(O)c1cccc(Oc2cccc(-c3nnc(N(Cc4ccc(CP(=O)(OF)OF)c(Br)c4)c4ccc(S(=O)(=O)N5CCCCC5)cc4)s3)c2)c1"]
["103132247","Cc1ccc(-c2nc3ccccc3s2)cc1N=C(O)/C=C\\c1ccc(Cl)c([N+](=O)[O-])c1"]
["153769057","Cc1cc2nc(-c3cccc(/N=C\\c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)c3O)oc2cc1C"]
["184583898","Cc1ccc(O)c(NNc2cc3nc(O)[nH]c3cc2[N+](=O)[O-])c1"]
["51827470","CNC1CCCc2nc(-c3ccccc3[N+](=O)[O-])sc21"]
["47016895","CC(C)(C)c1cc2c(Cl)ccc([N+](=O)[O-])c2nc1N"]
["195769243","[NH-]C1[I+]NN2[CH-]C[C-](N3CC[I+]C3)[N-]C12"]
["194304699","C.O=C1O[C@@H](CBr)CN1c1cc(F)c(N2CCNOCC2)c(F)c1"]
["86419710","CC1(C)CC1N=c1nc(NN)[nH]c(N2CCCC2)n1"]
["179064988","C[C@H]1[C@@H]2N3CC[I+]CCN1C([O-])[C@@H]([O-])N2CC3"]
["175012668","C1=CCNC=C1.NC[C@H]1CN(c2cc(F)c(N3CCNOCC3)c(F)c2)C(=O)O1"]
["146789201","N=c1nc(N2CCN(CC3CCNCC3)CC2)s[nH]1"]
["78780709","C[C@@H]1CN(CC(=O)I)CCN1"]
["178898164","CC(C1=C=CC(C[NH-])C[CH-]1)N1CC[I+]C1"]
["31216638","O=C1O[C@@H](CN=c2nn[nH][nH]2)CN1c1cc(F)c(N2CCNOCC2)c(F)c1"]
["179028090","COC1CCC([C-]([O-])N2CC[I+]C2)CC1"]
["180366270","C[I+]N1CCN2CN[N-][C-]2C1"]
["180048457","CC1[N-][C@@H]([NH-])[I+]NN1C"]
["180543667","O=C(C(=O)N(O)O)c1cn(O)c2cc(O)c(C(=O)N3C[C@H](O)[NH2+]C[C@H]3O)cc12"]
["6343621","CCC(O)=Nc1ccc(O)c(C(=O)N2CCN(C(=O)N(CC)CC)CC2)c1"]
["188936803","CC(=O)c1cn(C[C@@H]2C[C@H](Oc3ccccc3)CN2C(=O)[C@@H](N)C2CCCCC2)c2ccc(F)cc12"]
["51376956","O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2cc[nH]c2c1"]
["134808971","CCOC(=O)CN1CCCN(C(=O)c2cc3ccccc3cc2O)CC1"]
["157612222","Cc1ccc(C(=O)N2C[C@H](C)CC2(C)C)c(O)n1"]
["136697519","COc1ccc(C(=O)N2CCN=C(O)C2c2ccccc2)c(O)c1"]
["184871276","COC(=O)c1ccc(O)cc1C(=O)OC.NC1CCC1"]
["138550274","N=C(O)NC1CCN(C(=O)c2cc(Br)ccc2O)CC1"]
["75376886","CN(C)c1nc(=N[C@H]2CC[C@@H](NC(=O)C(=O)c3cn(C)c4ccccc34)CC2)[nH]c2ccccc12"]
["MCULE-2349378150","Cc1ccc(-n2cc(C(=O)N3CCC(CO)CC3)c(O)cc2=O)cc1"]
["51944443","NC(=O)c1cc(N)cnc1N1CCCC(O)C1"]
["98765247","CCC1(CC)C2=C(C=CC(C=CC3C=CC(C(=N)CCC=N)C4=NCNC43)C2)c2ccc(C=CC3=CCC(C(=N)CC=N)C(N)C3N)cc21"]
["193662419","C=CC(=O)N(C)c1cccc(-c2ccc(C(=N)O)c3c2-c2ccc(C(C)(C)O)cc2C3)c1"]
["69665341","CCn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(-c2ccc(CC(C)CCC(=O)O)cc2)cc1"]
["67442226","Cc1cc(C)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(-c8ccc9ccccc9c8)cc7)c7cc(C)cc(C)c7)ccc5-6)cc4)ccc2-3)c1"]
["176510550","C=C/C=C\\C=C/c1ccc2c(c1)C1(C3=C2C=CCC3)C2=C(C=CC)C=C=C=C2C(C2CC2)=C1c1ccccc1C"]
["107854585","CCc1ccc2c(c1)[C@@H](/C=C/c1ccc(O)cc1)NCC2"]
["32150379","CC(=N)N1CCC(Oc2ccc3c(c2)C[C@@H](/C=C/c2cccc(C(=N)N)c2)N3S(=O)(=O)CC(=O)O)CC1.Cl.Cl"]
["44130637","Cc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(N(C(=N)N)[C@H]3CCCC[C@H]3N)c2c1"]
["175976898","CCN(CC)c1ccc(/C=C2\\Oc3cc(OOC(=O)CC4COCC(CC(=O)O)C4CC(=O)O)ccc3C2=O)cc1"]
["59662106","CC1(C)c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7ccc8ccccc8c7)ccc5-6)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21"]
["178201012","C=CSCC/C=C/C1CC(O)=NCc2cccc(n2)C2=NC(CC)(CS2)C(O)=NC(C(C)C)C(O)=N1"]
["188334837","CCn1nc(C(O)=NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C(C)(O)CCC(F)(F)F)cc1OC(F)F"]
["100196205","CC1=C(C)C2=Bc3c([nH]c(C)c3C)C2=B1"]
["98884167","Cc1[nH]c2c(C)c(C)[nH]c2c1C"]
["75409285","Cc1[nH]c(CC2CC2)c(C)c1C(=O)Cl"]
["180053054","Cc1[nH]c2c(c1C)NC(S)NC2=N"]
["98031220","Cc1[nH]c2c(c1C)=CCNC=2"]
["162754155","Cc1[nH]c(C(=O)CN)c(C)c1C"]
["53830902","CCC(C)C(O)c1[nH]c(C)c(C)c1C"]
["90129892","Cc1cc2[nH]c(C)c(C)c2cc1Br"]
["48744951","Cc1c(C)c(C)c2c(C)c(C)c(=N)[nH]c2c1O"]
["74616104","Cc1[nH]c(=N)sc1-c1ccc(S(=O)(=O)N(C)C)cc1"]
["48309283","Cc1bbcc(C)c1C"]
["173050427","CC1=C[B]C(C)=C1C"]
["175465555","[B+]=C1C(=[B+])[C-]([N-][C-]2[N-][C+]([O-])C=CN2)C(=[B+])C(=[B+])C1=C=[N-]"]
["173038319","[B]=C1C(=C=[N-])C(=[B+])C(=[B+])C(OC2=CC=C[C-]3C(O)=[C-]CC=C23)C1[B+]"]
["176381544","[B+]=C1C(=[B+])C(=C=[N-])C(=[B+])C(C2=C=C(O)[C-](C(=O)NCC(=O)[O-])[N-]C2)C1=[B+]"]
["184431670","[N-]=C=C1C(=N)NC=NC1=II"]
["173984702","[B+]C([B+])([B+])C(N1[N-][C-](c2ccc(C(C)[C-]([O-])OC)cc2)C([C-]=[N-])=C1N)C([B+])([B+])[B+]"]
["173890205","[B+]=C1C(=[B+])[C-](COc2ccc(C#Cc3ccc(C(F)(F)C(CN4C=N[N-][N-]4)c4ccc(F)cc4F)nc3)cc2)C(=[B+])C(=[B+])C1=C=[N-]"]
["173603561","[B+]=C1C=C(O)C(=C=[N-])CC1"]
["60080387","[Cs+].[Cs+].[N-]=C=C1c2ccccc2[CH-]c2ccccc21"]
["173700880","[B+]=C1S[N-][C-](C)C1=[B+]"]
["185000563","[B+]=C1C(=[B+])[C-](I)NC1=C=[N-]"]
["175670637","[B+]=C1C([O-])=C(C2C(=O)c3ccccc3C2=O)Nc2ccccc21"]
["99367169","[B+]=c1ccc(=C=[N-])c2c1CNC2=O"]
["99792473","C[Si]#[N+]C1[C-]=C([O+]=[Si-]C)NC([O+]=[Si][Si]#[Si-])=N1"]
["162459222","CC1(C2N=C(O)NN2)CCCC1"]
["13668842","CCC1(CC)[C@@H](OC)NC(Br)=C(C#N)C1(C#N)C#N"]
["88957114","COc1cc(C2N=C(S)NC(C(=O)O)=C2C#N)cc(Cl)c1O"]
["88161274","COc1n[nH]cc1C1(N)CCCC1"]
["178770239","CC1=NC(Cl)C2C(Cl)=CN=C2N1"]
["195988079","CC(=O)[C@H]1O[C@@H]2SC(N(C)C)=N[C@@H]2C2(CC2)[C@@H]1O"]
["153519266","C[N+]12CC[C@@H](C1)[C@]1(CC(Br)=NO1)C2"]
["113988200","CCCCc1nc(CNCC2(C3CC3)CC2)c(Cl)[nH]1"]
["172229470","C[N+](C)(C)CCC[O+]=[Si][Si]#[Si-].[Cl-]"]
["180717561","CC1Cn2ccnc2C=C1C(=N)O"]
["99795667","C[Si-]=[O+]C1=C([O+]=[Si-]C)CC1"]
["176456805","CC.O=S(CCCCSc1cccc(C2=CC[N-]CC2)c1)c1cccc(C2=CCN(P)CC2)c1.[Pr]"]
["MCULE-2988703500","COc1ccc(C(O)=Nc2cccc(-c3ccc(C(=O)N4CCCC4)cc3)c2C#N)cc1OC"]
["MCULE-8901825048","CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(-c3cc(F)ccc3CC(=O)O)c2)CC1"]
["118016924","CN=C(NCc1ccc(CN(C)C)cc1)N1CC=C(c2ccccc2)CC1.I"]
["139320277","CC1(C)C(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1(C)C"]
["MCULE-7885063103","CCCOc1cccc(-c2cc(C(O)=NC3CCCN(C(=O)OC(C)(C)C)C3)ccc2OC)c1"]
["11804457","COc1cc2s/c(=N\\C(=O)CCCSc3ccccc3)n(C)c2cc1OC"]
["48261610","Cc1ccc(C(O)=NC2CCCC2)cc1N=C(O)C(C)N1CCC(C(O)=NC(C)C(O)=Nc2c(C)cccc2C(=O)Nc2ccc(F)cc2)CC1"]
["125249743","CCSc1cccc(CN2CCOC(C#N)C2)c1"]
["MCULE-6485870239","Cc1cccc(-c2ccc3[nH]cc(C(=O)N4CC=C(c5ccccc5O)CC4)c(=O)c3c2)c1"]
["21509365","O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2[nH+]c(-c3ccccc3)cs2)CC1"]
["MCULE-2223856918","COc1ccc(C(O)=NC2CCN(C)CC2)cc1-c1cccc(C)c1"]
["97401941","[N]=c1ccc(=[N-])[cH+]c1=[N+]=C1[CH+][CH+]C(=[N-])[CH+][CH+]1"]
["57420539","Cc1cc(Cl)cc(C)c1OC[B-](F)(F)F"]
["181721907","[N-]=[N+]=NN=C(O)C1(C(F)(F)F)C=CC(c2ccccc2)=CC1"]
["195854139","C=Ic1cc(C(F)(F)F)ccc1Br"]
["51269963","N#Cc1sc(-c2cccc(OC(F)F)c2)cc1N"]
["97183848","[N]=[O+]C(=O)C1=C(C(=O)[O+]=[N-])[CH+][CH+]C(C(=O)[O+]=[N-])=C1"]
["181241760","CCN(N=[N+]=[N-])C(C)Cc1ccc(N)cc1"]
["161711993","N#[N+]c1cc(-c2ccccc2)[nH]c1-c1ccccc1.[Cl-]"]
["73626343","[N-]=c1cc[cH+]c(=[N-])[cH+]1"]
["50189685","[N-]=[N+]=Nc1ccc([B-](F)(F)F)c2ccccc12"]
["79893064","F[B-](F)(F)F.Fc1ccccc1.N#[NH+]"]
["97756567","[N]=[O+]S(=O)(=O)C1=CC(C(=O)[O+]=[N-])=C(C(=O)[O+]=[N-])[CH+][CH+]1"]
["179459723","C12C3C4C5C6C7C89C%10C%11C%12C%13C1C5(C2C4C12C3C3C%10C8C71C32)C%13C%126C%119"]
["178873590","C1C2C3C4CC5CC6C7C8C3C3C(C24)C58C72C3C3CC1C362"]
["180854594","CC(C)CC12C3C4C(C)C5C4C4C5C1C42C3I"]
["150184748","O=CC12C3C1C32C12C3C4C3C1C42"]
["179543487","IC1C2C3C4C3C3C4C4C2C134"]
["91625610","N#CC1(C#N)C2C3C4C3C(C42)C1(C#N)C#N"]
["179889178","C1CC2C3C4CC5CC6C1C1C5C57C1C1C8C4C3C8(C2C65)C17"]
["32293145","FC12C3C4C5C6C3C3C1C1C7C2C4C2(F)C5C4C6C3(F)C1C4(F)C72"]
["70055232","CC1CC(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3ccc(NC4CC4)cc3)n2)NN1"]
["179756427","CCC1C(C)[C@]2(C)C1C1C2[C@]2(C)[C@@H]3[C@@H]1[C@H](C)C1C4C5C(C)C(C(C)C)[C@@H]6C(C)C57C6C5C6C8[C@@H]3C12[C@H]8[C@@]64[C@H]57"]
["178532925","C1C2C3C4C5C6C7CC8C9C4C5C4C5%10C%11C(CC7C6%11)C5C5C6C7=C%11C6C6CC%12C1C1C2C3C(C%11C%1261)C81C7C(C5%10)C941"]
["178691225","CC1C2CC3C1C1C3C3C4C2C2C4C4C2C2C5C6C7C8C9C%10C%11C%12C(C)C%13C%14C(C%15C(C13)C4C2%156)C75C8C9%14C%10C%11%13C1C(C)C(C)C%121"]
["193939654","N=[N+]=Nc1cc(=[NH+]C2CC2)n2[n-]cc(C=O)c2n1.Nc1cc(NC2CC2)n2ncc(C=O)c2n1"]
["190511510","C=C1N=C(O)C/C1=C\\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4(C(F)(F)F)CC4)CC3)nc12"]
["73627574","CCOc1nc(N[C@H]2CC[C@H](N)CC2)c(I)cc1C(=N)O"]
["191478917","Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(N[C@@H]3CCC4=C(C3)c3cccc(F)c3C4)cc(-c3cncc(F)c3)nc12.N[C@@H]1CCC2=C(C1)c1cccc(F)c1C2"]
["179194837","OC(CN1CCOCC1)=NC1CCC(Nc2cc(NC3CC3)n3ncc(/C=C4\\NC(O)N=C4O)c3n2)CC1"]
["81609062","COc1ccc(Oc2nc(=NC3CC3)n3ncc(C=C4CC(O)=NC4=O)c3[nH]2)cc1"]
["49953051","O=C(N=c1cc[nH]cc1F)c1cnc2c(NC3CC3)cc(=NC3CCC(CC(=O)N4CCCCCC4)CC3)[nH]n12"]
["141981820","CC(C)n1ncc2c(C(=O)N(C)C3CCSC3)cc(-c3ccco3)nc21"]
["176744141","Cc1ccc(CN2CCCC(CNc3cc(-c4ccccc4O)nc4c(Br)cnn34)C2)c(C)c1"]
["138410153","Cc1ccc2c(c1)nc(CNC(=O)c1ccnc3c(C(=N)O)cnn13)n2C"]
["189139462","Nc1c(Br)c([C@@H]2CCCNC2)nc2c(-c3cnn(CCOCCS(=O)(=O)n4cncn4)c3)cnn12"]
["199898969","Cc1nc(N=C(O)N2C[C@H](NS(=O)(=O)C3CC3)C[C@H]2C(=N)O)sc1-c1ccnc(C2CC2)n1"]
["173736406","B#[B-]B=C1C(=[B+])OC(=[B+])C1=S=[B-]=BB=C"]
["175273542","[B]CC1=N[CH-]C(=[B+])O1"]
["175556406","B#[B-]B=c1[nH]c(C(F)F)nc1=[B+]"]
["173848988","[B+]=C1O[N-][C-](C)C1=[B+]"]
["173736408","B#[B-]B=c1c(=[B+])oc2bbbbc12"]
["173810740","[B+]=C(C)B=[B-]=CB=C"]
["173756945","B#[B-]B=c1c(=[B+])oc(=[B+])c1=[B-]=BB=C"]
["175273541","CC.[B]CC1=N[CH-]C(=[B+])O1"]
["173996375","B#[B-]B=c1cnnc(O)c1=[B+]"]
["173601384","B#[B-]N=B[B+]B=C"]
["180001922","C=Cc1c(F)c(F)c(S2(c3c(F)c(F)c(C=C)c(F)c3F)c3c(F)c(F)c(C=C)c(F)c3I=I(=C)c3c(F)c(C=C)c(F)c(F)c32)c(F)c1F"]
["175972794","C=Cc1c(F)c(F)c(F)c(F)c1F.[HH]"]
["188838433","C=Cc1c(C)c(F)c(SF)c(F)c1F"]
["43991267","C=Cc1c(F)c(F)c(F)c(F)c1S(=O)(=O)O"]
["63796822","C=Cc1c(F)ccc2nc(OC)c(OC)nc12"]
["52319393","C=Cc1c(F)c(F)c(OC)c(F)c1F"]
["101737683","C=Cc1c(F)c(F)c(OCCOCCOCCOC(=O)C(C)Br)c(F)c1F"]
["172212963","C=Cc1c(F)c(F)c(C(F)F)c(F)c1F"]
["193920615","C=C(C)C(=O)O.C=Cc1c(F)c(F)c(F)c(F)c1F"]
["181798822","C=CC(N=[N+]=[N-])c1cccnc1"]
["147820202","C=Cc1c(F)c(F)c(P(=O)(O)O)c(F)c1F"]
["174356425","C=Cc1c(F)c(F)c(S(c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F"]
["64256304","CB=c1ccc(=C2[N-]c3cc([B+]C)sc3S2)s1"]
["18631052","CC[C@H](NC(O)=NC[C@H]1CC=CCC1)c1cccs1"]
["120609874","CC(C)(N)CNCc1cc(F)ccc1F"]
["170620869","Brc1cc2ccc1/C=C\\c1ccc(cc1)/C=C\\2"]
["111033234","Cc1cc(C(C)NC2CCSC2C)c(C)s1"]
["32291341","C=Cc1ccc2c(c1)S/C(=N/C(C)(C)C)N1CCCN=C21"]
["21101149","COc1cc(C[NH2+]/C(C)=C/N=C2[N-]C(=Nc3cc(Cl)ccc3Cl)S2)cc(OC)c1OC"]
["112986507","CSC1(CNS(=O)(=O)c2cc(CNC(C)C)sc2C)CC1"]
["54098283","Cc1cc(C(O)Cc2ccc(Cl)s2)c(C)s1"]
["7349278","Cc1ccc(/N=C/c2ccc(C)s2)c(C)c1"]
["28946993","CC(=O)c1sc2nc(=NC3CC3)[nH]c(-c3ccc(F)c(F)c3)c2c1N"]
["32710101","Cc1sc(C)c2c1C=NC2"]
["195725904","C=Cc1c(N)c(N)c(C2C3(c4c(N)c(N)c(C=C)c(N)c4N)C4c5c(N)c(N)c(C=C)c(N)c5Nc5c(N)c(C=C)c(N)c(N)c5C243)c(N)c1N"]
["179313478","C=Cc1c(C)c(N)cc(C)c1N"]
["172337829","C=CC1=C(C=C)C(C)c2ccc(C)cc21.CC.CC"]
["150420530","CC1(C)c2c(N)c(N)c(C=O)c(O)c2C(C)(C)C1(C)C"]
["178583334","C=Cc1cccc(-c2cccc(N)n2)c1C=C"]
["176040199","C=Cc1sc2c(C(=N)C3=CC(C)(C)C=C3N)cccc2c1C=C"]
["195736253","C=Cc1ccc(C2(OC)OOC23C2CC4CC(C2)CC3C4)c(N)c1C"]
["176003075","C=Cc1c(C)cc(S)c(N)c1C=C"]
["183321440","C=Cc1c(N)cccc1N=[N+]=[N-]"]
["43234692","C=Cc1c(Cl)n([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c2cc(Cl)c(Cl)cc12"]
["179690064","C=Cc1c(/C(C)=C\\C)[nH]c(C(C)=O)c1C"]
["76215144","C/C=C\\[C@H](C)[C@H]1OC1(C)[C@@H](O)[C@@H](COC(C)=O)C(=O)[C@H](CO)[C@@H](O)CC(=O)CC"]
["179254907","CCC[C-]1[CH-]C1[C@]1(C)[C@@H]2[C@@H]3I(C45CC4C[C@H](C)[C@](C)([C@]4(CC)CC4C[I+]C)C5)C[N+]321"]
["98892301","CCC1CC(C)C2(C1)CN(C)C2"]
["184134066","CCCC1C(C)C([C@H]2C[C@@H](C)C23C[C@@H](C)[C@]32C(CCC)C2NN)[C@@H]1C"]
["150254932","CCCC1C2CC3C(C)C4CC5CC6(C)CC2C(C)(CCC(C)(C)C(CC)C31)C546"]
["180924041","CC1CCC(CC23CC4(C5CC(C)C5)CCC(C)C2(C)C43)CC1"]
["52746439","CCC1(C)C(Cl)CC1Oc1cc(F)cc(F)c1"]
["7983536","CC1(C)[C@H]2CC[C@]1(C)[C@H](N=C(O)CN=C(O)[C@]13C[C@H]4C[C@H](C[C@H](C4)C1)C3)C2"]
["66574659","CCCN1CC(C)NCC1(C)CC"]
["179621454","CCCC1(CC)CC2CC3(C)C(C(C)S1)[C@@H]1CC4CC13CC2C1C2C3CC25CC4CC2CC4CNC6NNCCC(C)C3C46C215"]
["178237706","CCC1C2C3(C)CC4CC(C)C43C2(C)CC1(C)CC"]
["195425066","CCCC(CC)(CC)CC(CC)C1CC2(C)CC1CC(C)(CC)C2"]
["98670648","CCN=C(O)OC1CC2CC3(C)C4(C)CC1(C)C234"]
["171949351","Nc1cs[cH-]c1=IC(I)I(I)I=NI"]
["105440278","CC[C@H](C)N(C)C(=O)c1sccc1N"]
["93050226","CC(O)C(C)(C)N=C(O)c1sccc1N"]
["67822948","CCC(CC)N=C(O)C(C)OC(=O)c1sccc1N"]
["64029533","Cc1csc(C(C)N=c2[nH]c3ccc(N)cc3s2)n1"]
["163123207","Nc1cc2sccc2c(I)c1OC(F)F"]
["151176404","Nc1cc([S@@](=O)C(F)(F)F)cnc1O"]
["177514471","Cc1cc(N)c(N(N)CC(C)(C)C)c(F)c1F"]
["170996260","CC(=O)c1cc(I)c(C(F)F)cc1N"]
["162866781","Nc1ccc(C=O)c2c(I)csc12"]
["162707597","CCOc1c(N)cc2sccc2c1I"]
["105464244","CC(C)(C)c1csc(N=C(O)[C@](C)(N)C2CC2)n1"]
["179120276","CC1=[N+]=NC(I=c2nnc(I)nn2-c2cc(C)oc2C)=CN1c1cc(C)[nH]c1C"]
["94269203","Cc1cc(C(N)Cc2ncnn2C)c(C)o1"]
["94191654","CN=c1nc(Sc2nnc(C)o2)cc(C(F)(F)F)[nH]1"]
["88365193","COc1cc(Br)cc(N=c2cc(C)[nH]c(C)c2C(=N)S)c1"]
["162942280","Cc1ccc(-n2cnc(=N)[nH]2)cc1I"]
["61953547","Cc1ccc(-c2nc(C(C)(C)C)c(I)c(=N)[nH]2)c(C)c1"]
["58700615","CCN(CC(=O)O)Cc1nnc(-c2cc(C)oc2C)o1"]
["113466185","Cc1cn(Cc2scnc2C)c(=N)[nH]1"]
["MCULE-9939065619","COc1cccc(-n2nc(I)cc2C(C)C)c1C"]
["28980555","COC1=CC(c2ccc3c(c2)OCC3)=NC1=Cc1[nH]c(C)cc1C"]
["93494126","Cc1ccc(C(N)Cc2ccn(C)n2)o1"]
["151283646","Cc1cc(C(=O)N2Cc3cncn3[C@H](CNS(C)(=O)=O)C2)c(C)o1"]
["189830981","O[C@@H]1[C@@H](O)[C@H](S[C@@H]2CO[C@@H](S[C@@H]3CO[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1S"]
["154281490","O=C1O[C@H]2[C@H](O)[C@H](O)OC[C@@H]2OC(=O)c2cc(O)c(O)c3c2[C@H]2C1=CC(=O)[C@@](O)(O3)C2(O)O"]
["165794341","CC(O)=NC1COC(O)C(F)C1O"]
["9311497","C[C@@H]1OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O1"]
["198781867","C[C@@H]1[C@H]([O-])CO[C@@H]1O"]
["199396144","CC(O)=N[C@@H]1CO[C@H](O)[C@H](O)[C@@H]1O"]
["154552977","O[C@@H]1[C][C@H](O)[C@@H](O)CO1"]
["162156195","CC(C)(C)OC(O)=NC1CCCC1S"]
["98652763","C[C@@H](OC(O)=NC(C)(C)C)[C@H]1CO1"]
["162773418","CCO[C@@H]1OC[C@@H](O)C(O)C1O"]
["115194056","CC1OCCC1Sc1ccc(CNC(C)(C)C)c(Cl)c1"]
["100905901","O=[N+](O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](S[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1"]
["64755956","C[O+]=C1C=CC=C(Oc2c(C)cc(Cc3cc(C)c([O+]=C4C=CC=C(C)C4=C=N[O-])c(C)c3)cc2C)C1=C=N[O-]"]
["174901095","CC.Cc1cc(Cc2ccc(N)cc2)ccc1N"]
["146846502","Cc1ccc(CN=C(O)c2coc(CN)c2)c(C)c1.Cl"]
["44747642","CC(C)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1.Cc1cc(Cc2cc(C)c(OC#N)c(C)c2)cc(C)c1OC#N"]
["5234792","C=C1C=C([O-])N2C(=N1)NC(=Nc1ccc(C)cc1C)N[C@@H]2c1ccccc1OC"]
["146969397","Cc1cc(C)c(OCC(O)=NC2CCCNC2C)c(C)c1"]
["48315320","Cc1ccc(COC2(CN)CCC(C)C2)cc1C"]
["90116206","Cc1cc(N)c(O)c(OC2CCCC2)c1C"]
["2698654","Cc1cc(C)c(OCC(O)=NNc2ccccc2[N+](=O)[O-])c(C)c1"]
["183979973","CCc1cc(C(N)=NO)cc(C)c1OC1=CC=CN[C@]1(C)C(=O)O"]
["192699775","CCCc1cccc(C#[N+][O-])c1OC.COC1=CC=CC(=C=N[O-])C1=[O+]C"]
["120657896","COc1c(C)cc(C)cc1N=C(O)C1(CO)CCC1"]
["65926068","Cc1cc2ccc1Oc1cc3cc(c1)C(C(=O)N(C(C)C)C1C(=O)N(C(C)C)C(C(=O)N(C(C)C)C(C(=O)C(C)C)c4cc(C(C)C)c(C(C)C)c(C(C)C)c4-c4cc1ccc4C(C)C)C2OC(C)C)N(C(C)C)C(=O)C(C(C)C)N(C(C)C)C(=O)C(N(C(=O)C(C)C)C(C)C)C(C(C)C)c1ccc(c(C)c1)O3"]
["55991322","CC[NH+](CC)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(Cl)c(Cl)c1"]
["164630038","CC[C@H]1OC(=O)[C@H](C)[C@@H](C2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCc3cn([C@H](CF)[C@H](OC)c4ccc(S(=O)(=O)CF)cc4)nn3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"]
["7111442","CCCCCCN(C(=O)COC)[C@@H](C(O)=NC1CCCCC1)c1ccc2c(c1)OCO2"]
["MCULE-1391141619","COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)C2c2ccc(OC)c(OC(C)=O)c2)cc1OC"]
["115496069","CCOc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccc(OC(C)C)c3)C2c2ccccc2C)c1"]
["53713321","C=CCOC(=O)c1sc(N2C(=O)C(=O)/C(=C(/O)c3ccc(OC)cc3C)C2c2ccccc2OCC)nc1C"]
["45302025","CCOc1ccc([C@H]2/C(=C(\\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1OCC"]
["191064511","Cc1ccc(C(=O)C[C@@H](CCN)C(=O)N(C)[C@@H]2C(=O)C[C@@H](C)C(O)=N[C@H](C(=O)CS(=O)(=O)CCl)Cc3ccc(OCCN)c(c3)-c3cc2ccc3OCCN)c(C)c1"]
["44721602","CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2C1c1ccc(OCCC(C)C)c(OC)c1"]
["149079523","COc1cc(C(CC(=O)O)c2ccc(C)c(CN(C)C(=O)OC(C)(C)C)c2)cc2nnn(C)c12"]
["82716145","C=CCC1(c2ccc(CBr)cc2)SC2C(C(CC)O[Si](C)(C)C(C)(C)C)C(=O)N2C1C(=O)O"]
["178772616","C=S1Sc2ccc3c4c(ccc1c24)SS3"]
["175345159","O=S1CN=c2c1ccc1c2=CC=NS1"]
["83015359","C=C1C=CC(=C)c2ccc3c4c(ccc(c24)-c2ccc(cc2)C(=O)OC1=O)C(=O)OC3=O"]
["32261874","O=S1Sc2cccc3cccc(c23)S1"]
["174318676","C=Cc1ccc2c(c1)CCS2"]
["194138058","C=CC[N+](C)(C)C(C)CN1c2ccccc2Sc2ccccc21.[Br-]"]
["181097349","[N-]=[N+]=Nc1ccc2c(c1)CCC(O)S2"]
["173251403","C=S1NC(CCCC)(CCCC)[C@H](C)Cc2cc(N(C)C)ccc21"]
["186241484","C=C1CCC2=CN=C(Cl)NC2=N1"]
["162923864","O=C1Sc2cccc(CBr)c2C1=CO"]
["33233023","O=c1c2ccc3c(=O)c4ccc5c(=O)c6ccc1c1c2c3c4c5c61"]
["191466153","C=C1Cc2cc(C(C)(C)C)ccc2S1"]
["185999685","C1=Cc2ccccc2C(=C2N=C[N-][N-]2)N=1.C1=Cc2ccccc2CC=1c1cccnn1.[Os+2]"]
["43745614","OC(=NCC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1csnn1"]
["MCULE-6532705771","CC(C(O)=Nc1ncc(-c2ccco2)nc1N1CCCC1)N1Cc2ccccc2C1=O"]
["78240915","c1cncc(/N=C2\\SC[C@@H]3Cc4ccccc4CN23)c1"]
["174925079","O=C(OBr)N1Cc2ccccc2C1=O"]
["172452718","C1=CC2=C(COc3ccccc3C2)NC1"]
["101596367","O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2cccnn2)c2ccccc12"]
["MCULE-3075479710","O=[N+]([O-])c1ccccc1-c1cnc(N=C(O)C2Cc3ccccc3O2)nn1"]
["55871070","IC1=NCc2ccccc2C=N1"]
["160421289","CN(C(O)=N[C@@H]1C[C@H]1c1ccccc1)C1CCCN(c2cccnn2)C1"]
["177294612","c1cnnc(N2CCC(n3ccnc3-c3cccc4ncccc34)CC2)c1"]
["MCULE-1631193318","COc1ncccc1-c1cc(C)cc(C)c1N=C(O)C(C)N1Cc2ccccc2C1=O"]
["99226893","FC(F)=C(F)C1=C(C(F)=C(F)F)[C+](C(F)=C(F)F)C=CC1=[Si-]"]
["175704290","[Si]C(=[Si+])C(=[Si-])C1=C[CH+]C=CC1=[Si-]"]
["176972485","COc1cc(C(F)C(F)F)c(OC)cc1C(F)=C(F)F"]
["181152767","FC(F)=C(F)c1cc(F)cc(C(F)=C(F)F)c1F"]
["56331291","CN1[CH-]C2=C=CC3=[C-]CC=C=C3N2C1.[Ir]"]
["MCULE-3215882620","OCc1sc(-c2cc(F)cc(F)n2)cc1I"]
["184367561","CO[C+]1C=CC(=[Si-])C=C1OC(F)(F)F"]
["170754387","Cc1ccc(C(F)=C(F)F)c(C)c1C(F)=C(F)F"]
["78795036","Oc1ccc(C(F)=C(F)F)c(F)c1"]
["57622167","FC(F)=C(F)c1ccc(-c2sc3cccc4c5c(-c6ccc(C(F)=C(F)F)cc6)sc6cccc(c2c34)c65)cc1"]
["56029503","OC1=C(O)C(=[Si-])C=C[CH+]1"]
["91170320","FC(F)=C(F)c1c2ccccc2c(C(F)=C(F)F)c2ccccc12"]
["69786347","CSC1=NP(=S)(SC)NC2=NN=C(C)C21"]
["73945617","CC1=NN=C(C)C2CCCCCCC12"]
["199732843","CC(=O)SC1CC(=O)N(c2nnc(C)c(C)n2)C1"]
["97865906","CSc1n[nH]c(C)c1[N+](=O)O"]
["120322229","Cc1c(N)nc(C2CC2)[nH]c1=NCC(F)(F)CO"]
["195138427","C/C=C(C)\\N=C(C)\\C=C/C(=C\\C)c1c(SC)c(C)c(C)c2n[nH]cc12"]
["161812882","CC1=NN=C(O)C1/C=C(\\C)Br"]
["184483144","CC1=N[C@@H]2C=[N+]2[C@@H]2[C@H](C)[C@H](C)[C@H]12"]
["77808725","CSC1=NC(=O)N=C(C)C1C(O)=NC1(C(=O)O)CCCC1"]
["87080445","CSc1nc(N)cc(=NC2CCCC(C)(C)C2)[nH]1"]
["83983454","CSc1sc2c(=O)[nH]c(C)nc2c1N"]
["62398157","CSC1=NC2=NC(C)=NC2C(NN(C)C)=N1"]
["100283388","O=C(C[N+]1=CC2=[NH+]C(Cc3ccc([N-]C(=O)C4CCCN4C(=O)Cc4ccccc4)cc3)C(=O)N2C=C1)C1CCCN1C(=O)Cc1ccccc1"]
["135313513","O=C(C1CCCN1C(=O)Cc1ccccc1)N1CC2CCCC(C1)C2O"]
["9485422","CC(C)(C)C(=O)N1CCC[C@@H]1C(O)=Nc1cccc(N2CCN=C2O)c1"]
["59918048","CCn1c(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2cccs2)nc2ccccc21"]
["49316660","O=[N+]([O-])/C(=C\\c1ccoc1)Cc1ccccc1"]
["MCULE-2248848054","CCOc1ccc(F)c(-c2ccc(C(=O)N3CCC(N(Cc4ccccc4)C(=O)OC(C)(C)C)CC3)cc2F)c1"]
["153179028","COc1ccccc1N1CCN(CCCCC(O)=N[C@@H]2CCCc3cccc(OC)c32)CC1"]
["65425349","Cc1c(N=C(O)CN2CCC(C(O)=NCC(O)=Nc3ccc(F)c(F)c3)CC2)cccc1C(=O)N1CCCCC1"]
["170159398","COC[C@@H]1CCCN1C(=O)Cc1ccc(NCc2ccc(OC)cc2)cc1"]
["193050354","Cc1cc(F)c(Cl)cc1CC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C"]
["145878839","O=C(O)C1COCCN1C(=O)CCc1cccc(F)c1F"]
["107958399","O=C(c1ccc2c(c1)COCO2)N1CC[C@@H](Cc2ccccc2)C1"]
["34662907","NCC(C(=O)O)c1cc2c(c(O)c1-c1c(CC(N)C(=O)O)c(Oc3cc(CC(N)C(=O)O)cc4c3NCCS4)c(O)c3c1SCCN3)NCCS2"]
["44851712","CCCCCCCC/C=C\\CCCCCCCCC1=NCCN1.N[C@@H](CC(=O)O)C(=O)O"]
["82093397","CCC(C)COC(=O)Oc1ccc(CC(NC(C)CC)(OC(=O)OC(C)(C)C)C(=O)O)cc1OC(=O)OCC(C)CC"]
["169130973","NCC(c1ccccc1Cl)C1(C(=O)O)CCCC1"]
["68718909","Cl.Cl.N=C(N)c1ccc2cc(CC(C(=O)O)c3ccc(O[C@H]4CCNC4)cc3)n(CCCl)c2c1"]
["34414003","CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2O[C@@H](C)C(=O)O)cc1C(F)(F)F"]
["107985634","Cc1cc(C[C@H](N)C(=O)O)c(F)cc1C(F)(F)F"]
["91059213","NC(Cc1ccccc1)C(=O)N(N)C(=O)c1sc2ccccc2c1Cl"]
["145931335","COc1cc(C)c(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1OC"]
["100228367","Cc1onc(OC(=O)CC[C@H](N)C(=O)Oc2noc(C)c2CC(N)C(=O)O)c1CC(N)C(=O)O"]
["28729286","NC(Cc1ccc(O)cc1)C(=O)c1cc(N=C(O)c2ccccc2)ccc1C(=O)O"]
["149304205","CCOc1ccc(C2=C(O)C(=O)N(c3cc(N=C(C)O)ccc3C)C2c2c(C)[nH]c3ccccc23)cc1OC"]
["75663882","[NH3+][C-]1C=c2ccc3c(c2N1)NC(NCC[O])C=3"]
["93784491","CCCNC1c2cccc(Br)c2CSC1CC"]
["17975091","CCC(=O)N(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)c1ccccc1C"]
["146905571","CCSc1cccc(CNC2CCC(C(=O)O)CC2)c1"]
["3242091","CCCN[C@@H](C[NH3+])C1=C[C@@H](Cc2ccccc2)c2ccccc21"]
["59287594","CCCNC1CCCCC1Cc1ccccn1"]
["92075483","Cc1cccc2c1CCC2NCCS(C)=O"]
["100194067","CC.Cc1cc2nnc(CNCCNCc3ccccc3)n2[nH]1"]
["174355728","O=CC1CCc2cccc(Cl)c2N1"]
["146162381","NCC1CCCCC1NC(=O)c1cc(I)c[nH]1"]
["85239466","CCNC1c2cc(CC)ccc2C(C)C1C"]
["154032363","CCN(C)C(=O)Oc1cccc2c1[C@@H](CCCN)CN2"]
["70235960","[C-]#[N+]C1NC2N=C3N(C4=NC5NC(C#N)C(C#N)NC5[N+]4=C4[N-]C5NC([N+]#[C-])C([N+]#[C-])NC5N34)C2NC1C#N"]
["189814020","CC(c1ccc(C(F)F)nc1)N1NC(C#N)C2C(O)=NC(C3CCC3c3ncccn3)NC21"]
["189814056","C[C@@H](c1ccc(C(F)(F)F)nc1)N1NC(C#N)C2C(O)=NC(C3CC[C@H]3c3nccc(C(F)F)n3)NC21"]
["189814029","CC(c1cnc(C2CC2)nc1)N1NC(C#N)C2C(O)=NC([C@H]3CC[C@@H]3c3ncc(F)cn3)NC21"]
["187270213","CC1=C(c2nc3cccc(N)c3o2)C(=O)N2NC(C#N)C(c3ccccc3)C2N1"]
["187270190","COc1c(Cl)ccc2oc(C3=C(C)NC4C(c5ccccc5)C(C#N)NN4C3=O)nc12"]
["189814021","CC(C1CCOCC1)N1NC(C#N)C2C(O)=NC(C3CCC3c3ncccn3)NC21"]
["189814041","C[C@@H](c1cnc(C2CC2)nc1)N1NC(C#N)C2C(O)=NC([C@@H]3CC[C@@H]3c3ncccn3)NC21"]
["187270247","CNc1cccc2oc(C3=C(C)NC4C(c5ccccc5)C(C#N)NN4C3=O)nc12"]
["52135985","N#CC1=CNN2C1=NC(C(F)F)CC2C(F)F"]
["82003231","CC1CCCC(C)N1C1N=C(O)C2C(N=C(O)C(C#N)C2c2cc(F)cc(F)c2)N1"]
["52293402","N#CC1=CNN2C1=N[C@H](C(F)F)C[C@H]2C(F)F"]
["174408678","CCc1[nH+]c(N=c2scc(-c3csc(N=c4sc(CC)c(CC)n4C)[nH+]3)n2C)sc1CC"]
["4753176","CCOCCn1/c(=N/C(=O)c2cc(C)oc2C)sc2cc(Br)ccc21"]
["20518841","Cc1csc(N=C(O)CSc2nc(C)c(C)n2CC(C)C)[nH+]1"]
["45708034","CCCn1c(=NC(=O)CS(=O)(=O)c2ccccc2)sc2cccc(OC)c21"]
["153697870","COc1ccc(CCn2c(-c3ccc(Cl)cc3)cs/c2=N/c2ccc(C)cc2)cc1OC"]
["114394934","CCOC(=O)C(C)(C)c1csc(-c2cc(C)nc(C)c2)n1"]
["3397912","COC(=O)Cn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cc(C)ccc21"]
["62121305","CN=C(O)NCCn1c(-c2ccc(N3CCOCC3)nn2)csc1=Nc1ccc(Cl)cc1"]
["58749370","CN=c1scc(-c2ccc(C)cc2C)n1C"]
["68120635","C=CCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)csc1=Nc1ccc(OC)cc1"]
["99966747","CCOc1ccc2c(c1)sc(=NC(=O)c1cc(OC)ccc1OC)n2CCOC"]
["58733828","CCCn1c(=NC(=O)c2ccc(Cl)s2)sc2cccc(OC)c21"]
["170806401","CC1=CC2NC(C(C)CC3=CC4C=C(C(C)C)NC4N=C3)=CC2N=C1"]
["156118408","Cc1c(Br)cnc2[nH]c(C[C@H]3CCC(=O)[C@H]3C)nc12"]
["46631590","CC(C)C[C@H](N)C(O)=NC1CCN(c2ccccn2)CC1"]
["7044605","Cc1sc2ncnc(Nc3ccccc3C(C)C)c2c1-c1ccccc1"]
["1386751","CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(CC(C)C)C(=O)c2cccs2)c(C)n1C"]
["138654407","CCC1CCN(C(=O)c2ccnc(OC(C)CC)c2)C1"]
["115239204","Cc1cnc(Sc2c(Cl)cccc2CC(C)N)nc1"]
["162808607","CCC1CC1C(O)c1csc(C)n1"]
["20368878","CCOC(O)=N[C@H](CN=C([O-])c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)CC(C)C"]
["107747426","Cc1ncnc2c(C(=O)[C@@H](C)N)c[nH]c12"]
["163322020","Cc1ncc(-c2[nH]c(C(C)C)nc2CN)o1"]
["150033671","CC1=NN2C(CC3=CC4C=C(c5cnn(CC6CN(C(=O)OC(C)(C)C)C6)c5)C=NC4C=C3)=NNC2C=C1"]
["178390728","C(=C1\\CC(CC2CC23CCCC3)C12CC2)\\C1CC12CCCC2"]
["172410422","O=C1N=C(O)CC2(CCCC2)C1Br"]
["179370136","COC1C=CC2=C(C1)[N+]1=C(C(CCCCC3CC34CCCC4)N2)C1O"]
["50084516","CCCCOC1CC(=O)C12CCCC2"]
["161025471","CC1CCN(C)CCN1C(O)=NCC1CC12CC2"]
["86869716","O=S1(=O)CCC2(CC1)CC2CO"]
["162954540","CCC(O)=NC1CCC12CCCC2"]
["158231289","C[C@H]1CN(C)CCN1C(=O)[C@@H]1CC12CCCC2"]
["MCULE-2924331791","O=CCC1C(c2ccc(C3(C(=O)O)CC3)cc2)C1(F)F"]
["162979085","C=C(C)CNC1CC12CCCC2"]
["160280484","FC1(F)CC(NC2CCC23CCCC3)C1"]
["98700274","CCCCCCCC1CC12CC2"]
["171956847","C1CCC(C2=C(C3CCCC3)C(C3CCCC3)([Si]3=[Si]=[Si]=[Si]=[Si]=[Si]3C3CCCC3)C(C3CCCC3)=C2C2CCCC2)C1"]
["120926186","O=C(O)CNc1ncc(C2CCCC2)cn1"]
["64602631","CCC1(C2CCCCCCC2)CCC(O)CCCC1O"]
["153273187","N[C@@](CCc1cccc(C2CCCC2)c1)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O"]
["187067746","c1ccc(C2CCCC3C2C2CCCNC2C3C2(C3CCCC3)CCC2)cc1"]
["64365838","Oc1ccc2c(c1O)CCC1CCCCC21CCNCCc1ccccc1"]
["187073278","Cc1cc(C)cc(Pc2cccc3c2OC24Oc5c(cccc5Pc5cc(C)cc(C)c5)C[C@H]2CCC[C@@H]4C3)c1"]
["CSSS08954503534","CN1CCCC(c2cccc(C(O)=NC3(c4nn[nH]n4)CCCC(C)(C)C3)c2)C1"]
["86607133","O=C(c1cccs1)N1CCC2(O)CCCCC2C1"]
["93566370","Cc1ccc(C)c(-c2nc(O)cc(C3CCCC3)n2)c1"]
["27060851","O=C1CCc2cnc(Nc3ccc(-n4cccn4)cc3)cc2N1C1CCCCC1"]
["89192761","OC1(C2CCCC2)CCN2CCC1CC2"]
["180681212","CC(SC1=C(S)Sc2cc3ccccc3cc2S1)=C1SC2=C(S1)Sc1cc3ccccc3cc1S2"]
["43336962","CCCN(CC(=O)O)C(=O)c1cc2ccccc2s1"]
["170970864","CC(C)c1cccc(C2=CNNN2)c1"]
["185223554","O=C(Cl)c1n[nH]cc1-c1ccc2ccccc2c1"]
["100381919","CN(c1ccc2c(c1)Nc1ccccc1S2)S(C)(=O)=O"]
["188711336","CC(C)(C)c1ccnc(-c2cccc3c2C(C)(C)c2cc4ccccc4cc2C3(C)C)c1"]
["10846371","CCN(C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1"]
["179859051","O=S(I)c1ccc2ccccc2c1"]
["115646626","OC(CCCOc1ccccc1Cl)=Nc1nc(-c2ccc3ccccc3c2)cs1"]
["8023479","C=C(C)CN(CC)C(O)=N[C@@H](C)c1cc2ccccc2o1"]
["18142701","Cc1ccccc1C(O)=NN=C(O)[C@H](N=C(O)Cc1ccc2ccccc2c1)C(C)C"]
["MCULE-8168352950","CN1CCN(c2ccccc2N=C(O)c2cc(-c3ccc4ccccc4c3)ccc2F)CC1"]
["74692776","NN(C1=NC(=O)C2=CC=NC2=N1)C1=NC(=O)C2=CC=[N+]C2=N1"]
["162294914","O=C1N=CC=C2C=CC(C3CC3)=CC12"]
["90924423","CCCN(CCc1ccccn1)S(=O)(=O)c1ccc2c(c1)=NC(=O)C(=O)N=2"]
["82002741","COc1ccc(C2=CC=NC3=NC(N4CCCCC4C)=NC(=O)C23)cc1OC"]
["145203279","N/C(=C1/C(=O)N=CC=C1NC1CCCC1)c1ccc(OF)cc1"]
["163245737","Cc1nc(C2=CC=NC(=O)C2N)sc1C"]
["90608568","O=C1N=c2cc(Cl)cnc2=NC1=O"]
["96205877","Nc1[nH]nc2c1c(C(F)F)nn2-c1ncccn1"]
["168380805","O=C1N=CC=C1c1c(C(=O)O)cn(C(=O)O)c1O"]
["70222565","C=c1cc2c(cc1OC1CCC(N)CC1)=CC=NC2=O"]
["181336358","O=C1N=CC=C1C1=CCN=C1"]
["81183685","Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3c(c2)=NC(=O)C(=O)N=3)c1"]
["78942695","CC[SiH](C)C[Si](C)(C)C1[SiH](C)C[Si]2(C)C[Si](C)(C[Si](C)(C[SiH](C)C)C([Si](C)(C)CC)[Si](C)(C)C([SiH2]C)[SiH](C)C)C[SiH](C)C2[SiH]1C"]
["192842662","CCC[SiH2]CC(C)[SiH3].CC[SiH](C)C[Si](C)(C)C"]
["98947493","CC[SiH2]C[SiH](C[Si](C[Si](C)(CC)CC)(OC)OC)OC.CO[Si](C)(C[SiH](C)C)C[SiH](C)C"]
["192405579","CC.CC[SiH](C)C[Si](C)(C)C"]
["25057812","CC[SiH](C)C[Si](C)(C)C"]
["64093802","CC[Si](C)(C[SiH](C)C)C[SiH](C)C"]
["178747412","CCCC[Si]1(C(C)CCC)OC[C@@H](C(C)C)[C@@H](C)O1"]
["99155416","CC[SiH](C)C[Si](C)(C)C[SiH](C)C[SiH2]C(C)C"]
["173828192","C[Si](C)(C)C1C2CC3([Si](C)(C)C)CC4([Si](C)(C)C)O[Si]13C([Si](C)(C)C)C24"]
["99502900","C[Si](C)(C)OCCC1=C(c2cccc3c2C2=C(C3)[Si]2(C)C)CC=C1"]
["99502120","CC(CC1=C(c2cccc3c2C2=C(C3)[Si]2(C)C)CC=C1)O[Si](C)(C)C"]
["77019758","CCC(O)c1ccc2c(c1)CC1C(O)=NC(O)=NC1O2"]
["195953325","C=C=C=C1CC(CCCCC/C=C2\\CCC(=C=CC)C2)C1"]
["197186073","CC(C)(C)OC(O)=NC(CCCCCC1CC1)C(=O)O"]
["100226650","CCCCCCCCCCCCCCCCCC1CC[C+](C(=N)N)CC1"]
["61838386","CCCCCCC=C=C1CCCCC1"]
["153788558","CCCCCCC/C=C/C1=C[C@@]2(C)C[C@@]1(C)[C@H](CCCCCCC)CC2=O"]
["163528231","C=C1OC(CCCCCCCCCCCCC)/C1=C/CCCCC(=N)O"]
["181012736","CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCN=C=S)CC4)cc3)cc2)CC1"]
["161098300","BrCCCCBr.OCCCC=C1CCCC1"]
["91088019","CCCCCC1CCC(=CC(=O)OCC)C1"]
["78098985","CCCCCCC[C@H]1CC[C@H](C2CCC(C3CC[C@](C)(C(=O)OCCCCC)C(=O)C3)CC2)CC1"]
["68839679","C=CC1CCC(C=CCCC2CCC(CCCCCC)CC2)CC1"]
["78404831","C[CH]CCCCC1CCC1"]
["172212108","CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir+3].[c-]1ccc2c3cc4cc5ccccc5cc4cc3c3ccc[n-]c3[n+]12"]
["194573890","CN(/C=C\\C=[N-])C1=C=CC(=c2ccc3c(c2)P([O-])(c2ccccc2)=c2ccccc2=3)C=C1.[Ir+3].[c-]1ccccc1-n1cccn1"]
["186318035","CC1CN(C(=O)C2CC2c2ccc3ccccc3c2)c2ccccc2C(O)=N1"]
["169939447","Cn1c2c3ccccc3ccc2n2c3cc4ccccc4cc3nc12"]
["187068417","N#Cc1ccc2[n-]c3ccccc3c2c1.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C)cc(C)cc2C)c1)c1ccccc1C.[Pt+4]"]
["96684885","Cc1cc2c(=O)c3ccccc3n(C)c2s1"]
["434653","CN1c2ccccc2C2C=C(/C=C/c3ccc4ccccc4c3)C=CC21"]
["171603977","CC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4cccc(-c5cccc6c5sc5cc7ccccc7cc56)c4)nc(-c4ccccc4)n3)cccc21"]
["191881290","CN1C2=CN=C[N-]C2=[N+]2[C-]3C=CC=CC3=CC12.CN1CN(c2[c-]cccc2)c2nccnc21.[Ir]"]
["174526502","CCCCCCCCCCCCCCCC(Br)CCc1ccc2cc3cc4ccccc4cc3cc2c1"]
["56531419","[Ir+3].[c-]1ccccc1C1=Nc2c(ccc3cccnc23)CC1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[n-]2)c1"]
["172070872","CCC(CC)C(=O)/C=C(\\O)C(CC)CC.C[Si](C)(C)c1cc2cc[n-]c3c2c(c1)c1cccc2c[c-][n+]3c21.[Ir]"]
["70650889","OC1=NN=C2CC3CC(=C12)CC1C(O)=NN=C31"]
["109518702","CCOC(=O)[C@@]1(C#N)CCC2=NN=C(O)[C@H]2C1"]
["185833519","OC1=NN=C(O)C(I)C1"]
["162247472","CC1CCC2C(O)=NC(C(F)(F)F)=NC2=N1"]
["162591313","O=C1C[C@H]2CC[C@@H]1C(O)=N2"]
["193369185","CCc1cn(C2CCCCO2)nc1O.O=C=O"]
["91171887","Cc1ccc(CC2CC(c3ccccc3)=NN=C2O)cc1"]
["80910485","OC1=NN=C2CC(CCc3ccccc3)OC(CCc3cccc(Cl)c3)=C12"]
["11553802","CCc1ccccc1N=C(O)CN=C(O)C1=COCCO1"]
["MCULE-2047582129","CC1=NN=C(O)C1CC(O)=Nc1cccc2c1C(=O)c1ccccc1C2=O"]
["91171907","CC(C)CC1CC(c2ccccc2)=NN=C1O"]
["23316882","COc1ccc(C2=NN=C(O)C(c3ccc(OC)cc3)C2)cc1"]
["91170666","O=[N+]1N=N[N]C2=C1[N+](=O)C1=NC3=C([N+](=O)N=[N+]=N3)[N+](=O)C1=N2"]
["199387276","O=[N+]1N=N[N]C1=NN=C1[N]N=N[N+]1=O.[NH3+]O.[NH3+]O"]
["91170550","O=[N+]([O-])C1=[N+]=N[N+](=O)C2=C1N=C1C(=Nc3c([N+](=O)[O-])nn[n+]([O-])c3[N+]1=O)[N+]2=O"]
["168142646","C=C/C=[N+]1\\N=N[N]C1=N"]
["170016006","O=[N+]1N=Nc2c1ccc1c2[N]N=N1"]
["187215193","C[N+]1=NC2=C([N+](=O)N=[N+]([O-])[N]2)[N+]1=O"]
["184996776","CC1=NN=N[N+]1=O"]
["126205913","Cc1ccc(N=C(O)Cn2ncn(C)c2=O)cc1C(=N)O"]
["189807989","N=C1N=C(NN)N=CC1[N+](=O)[O-]"]
["178549788","O=[N+]1N=NN=C1C(F)(F)F"]
["110884787","O=[N+]1N=N[N]C1=NN=C1[N]N=N[N+]1=O"]
["172824537","O=[N+]1N=NN=C1C1=NN=N[N+]1=O"]
["178161617","CCC1(C)OSCCCN=CC2CCCCC2[CH-][N-]CCCSOC[C@H]2O[I+]O[C@H]21"]
["33183029","CCC(=O)c1ccc(C)cc1C1=NC(C)(C)CO1"]
["59055227","Cc1cc(C(CN)NC2CCCCCC2)c(C)s1"]
["22546920","CC1CCN(C2=N/C(=N/C[C@@H](C)[NH2+]C3CC(C)(C)NC(C)(C)C3)S2)CC1"]
["82281856","CC[C@@]1(CO)COCC(n2cc(C=N)c(O)nc2=O)O1"]
["180512364","CC[C@]12CC3(C)OC(C31)[C@H](C1C=Nc3c(nc[nH]c3=N)CC1)O2"]
["23799181","Cc1cc(-c2cn(CCO)nc2C2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)on1"]
["180495654","CC1(C)CC(=O)C2=C(C1)NC1CCC3CCCCC3C1C2C1C=NCCC1"]
["83553908","CCOCCCN1C(=O)C(=C=C2C=c3cc(C)ccc3=NC2=O)SC1=S"]
["69636657","C=C1C(=O)C23CC[C@H]1CC2C12CCC[C@@](C)(COC1=O)C2C[C@H]3OC(=O)c1ccco1"]
["158167276","CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CCCSC2)cn1"]
["22228521","COc1ccc(CN(C2=N/C(=N\\C[C@@H](C)[NH2+]C3CC(C)(C)NC(C)(C)C3)S2)C2CCCC2)c(OC)c1OC"]
["98638965","Cc1cc(C)cc(P(C2=C(C3=C4OCOC4=CCC3P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)C34CC3(C=C2)OCO4)c2cc(C)cc(C)c2)c1"]
["45156862","Cc1[nH]c2nc(-c3ccc(C4(C)OCCO4)cc3)cc-2nc1Br"]
["189886121","Cc1cc(C)cc(C2CC3C=CC=CC3C2[Si](C)(C)C2C(C)C3C=CC=CC3C2C)c1"]
["24241544","Cc1cc(C)cc(N2C(S)=NC3CS(=O)(=O)CC32)c1"]
["174830852","Cc1cc(C)cc(C2CCN(C3CCC(=O)CC3=O)C2)c1"]
["169835304","Cc1cc(C)cc(OC2OCC(C)C(C)C2C)c1"]
["73773196","C[O+]=C1CC=C2OC3CCC=CC34CCC(C)=NC1=C24.[Br-]"]
["194600740","Cc1cc(C)cc([CH-]C(Cc2cc(C)cc(C)c2)(O[PH+]2Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)[C@H]2COC(c3ccccc3)=N2)c1.[C-]1=CCCC=CCC1.[Ir]"]
["50649804","Cc1cc(C)cc(-n2ncc(CBr)c2C2CC2)c1"]
["57385006","Cc1cc(C)cc(CC2(C(=O)O)CCC(C)(C)CC2)c1"]
["99760362","Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc[c-]2[C@@H](c2c[cH-][cH-][cH-][cH-]2)N(C)C)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc[c-]2[C@@H](c2ccccc2)N(C)C)c1.[Fe]"]
["99887315","Cc1cc(C)cc(C(C2=C(C(C)(C)C)C=CC2)c2cc(C)cc(C)c2)c1"]
["173680692","[B]=C1CC(C)(C)C([B+])C([B+])([B+])C1=C1[N-]C(C2CC(C)(C)OC(C)(CO)C2)C=CC1=NC(O)=C1[N-]C=C(C#N)[N-]1"]
["6057638","COc1ccc([C@H](C)N(Cc2ccc(C)o2)C(S)=[NH+]C2CC(C)(C)NC(C)(C)C2)cc1"]
["104057019","CC1(C)O[C@@](C)(CN2CCCC2)CC[C@@H]1N=C(O)C(c1ccccc1)c1ccccc1"]
["100568323","CC(C)CC(CS(=O)(=O)N1CCC(C)CC1)C1=CC2=Nc3cc4c(cc3OC2=CC1)N(C)C(C)(C)CC4C"]
["170627774","Cc1cc(C)cc(N=C(O)OC[C@@H]2C[C@H](OC(O)=Nc3cc(C)cc(C)c3)[C@@H](OC(O)=Nc3cc(C)cc(C)c3)[C@H](O)O2)c1"]
["108486995","CC1(C)C[C@H](N=C(O)N=c2cccn[nH]2)C(C)(C)O1"]
["59599919","C[C@H]1C[C@H](CN=C(O)OCc2ccccc2)O[C@]2(CC[C@@]3(C)[C@@]4(C)CCC[C@]3(OC(=O)C4)O2)C1"]
["144172878","CC(C)C(=O)Nc1ccc(CN=C(O)NC2CC(C)(C)OC2(C)C)cc1"]
["200058575","C1=CC=[N+]=CC=1C1=NC=c2cc3c(cc2[N-]1)=C[N-]C=C3.CC(=O)/C=C(/C)O.[Ir]"]
["141224108","CC1(C)CC(N=C(O)CCc2ccc3[nH]ccc3c2)C(C)(C)O1"]
["17692260","COc1ccccc1N=C(O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2"]
["140187218","CC1(C)CC(N=C(O)CC2=CCCCC2)C(C)(C)O1"]
["76218669","N[C@@H]1CCCC(F)([F+])[C@@H]1N=NC1=CCOC=C1/C=C/C1CCCCC1"]
["180858066","CC=C1CCC(=C2CCC(=CC3CC/C3=C/C3CCCCCC3)CC2)CC1"]
["157853507","N[C@@H]1CCCO[C@@H]1c1cc(Cl)sc1Cl"]
["95919442","COc1cccc(COC2CCCCC2N)c1F"]
["142781879","COc1ccc(N=C(O)C=CC2CCCCC2)c(OC)c1OC"]
["193868825","C[Si](C)(C)OC1(/C=C/I)CCCC1Oc1ccc(F)cc1"]
["85738270","Cc1sc(Br)cc1S(=O)(=O)NC1CCCCCC1N"]
["34444397","Cc1ccc2c(c1)nc(/C=C/C1CCCCC1)n2-c1ccccn1.O=C(O)C(=O)O"]
["MCULE-1828426466","OC(C=CC1CC1)=Nc1ccc(F)cn1"]
["143265497","CC1CN(C(=O)C=CC2CCCCC2)C(C)CO1"]
["43205772","CC1CCCCCC1NCc1nc(O)c2sccc2n1"]
["100594706","NC(=O)c1nnc(=N[C@@H]2CCCC(F)(F)[C@@H]2N)[nH]c1Nc1ccc2c(c1)CCOC2"]
["197716276","[C-]#[N+]C(C)(C)c1cc2c3c(c4c(C)c(C)[cH-]c5c6ccc(CC(C)(C)C)cc6[n+](c4-5)c3c1)N(C)C=[N+]=2"]
["197716538","Cc1cc2c3cc(CC(C)(C)C)ccc3[n+]3c4cc5cc([Si](C)(C)C)ccc5c5ccn(C)c(c(c1C)c23)c54"]
["184777725","[2H]c1ccnc(-n2c3ccc(CCC(C)(C)C)cc3c3ccc(Oc4cccc(-n5nc(C)c(-c6ccccc6)c5C)c4)cc32)c1"]
["7526017","CCCCCCn1cnc2scc(-c3ccc(CC)cc3)c2c1=O"]
["190697408","CC(C)(C)Cc1ccco1.CCN(CCC(C)(C)C)c1cccc(C)c1.Cc1ccc(CC(C)(C)C)o1"]
["200040911","Cc1cc(C)c2c(c1C)c1c3c(ccc4c5ccc(CC(C)(C)C)cc5n2c43)c([Si](C)(C)C)c[n+]1C"]
["196539204","Cc1cc(-c2nccc3c2sc2c4ccc(CC(C)(C)C)cc4ccc32)[se]c1C(C)(C)C"]
["192391443","[2H]c1cc(C)c(C)c(-c2c3ccc(CC(C)(C)C)cc3cc([2H])[n+]2C)c1"]
["193813809","[C-]#[N+]c1ccc(NC(=O)[C@](C)(O)CS(=O)(=O)c2ccc(CCC[N-][N+]#N)cc2)cc1C"]
["74630244","Cc1c(CCN2CC[CH]C(F)C2C(C)(C)C)c(O)nc2cc(C#N)ccc12"]
["199252568","CSN1CCc2c(n(C)c3c(=O)n(Cc4cccc(C(C)(C)O)c4)ncc23)C1"]
["172025473","CC(C)c1cccc(C(C)C)c1-c1cnc2c3ccc(C(F)(F)F)cc3c3cc(CC(C)(C)C)ccc3n12"]
["174213401","C/C=C\\C=C/C(C)/C(=C/C=C\\C(C)O[C@@]1(Oc2cccc3ccc(C)nc23)Oc2cccc3ccc(C)[n+]1c23)CC"]
["170528457","CC(C)C[C@@H]1CC2C[C@H](C(C)C)C(O)C2C1O.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.[Ir]"]
["81182164","CC1NN(C)C2N=C(O)C(CCC(O)=NCCOc3cccc4ccccc34)C(C)C12"]
["52456401","Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3C)c(O)c2n1"]
["120569527","COc1cccc2c1N=C(O)C(C)(C)O2"]
["3458406","Cc1cccc(OCC(=O)N=c2cc[nH]cc2Cl)c1C"]
["49286316","Clc1cc2cccc(OC3CCC=CO3)c2nc1Cl.[Cu]"]
["44085432","CCOCC(C)Nc1cccc(C)n1"]
["192808603","Cc1ccc(S(=O)(=O)Nc2cccc3ccc(CCCC(O)=NC(CO)(CO)CO)nc23)cc1"]
["158605543","Cc1ccc2cccc(N=C(O)N3CCO[C@@H](C(C)C)C3)c2n1"]
["43388053","Cc1ccc2cccc(N=C(O)C(N=C(O)c3ccc(Cl)c([N+](=O)[O-])c3)C(C)C)c2n1"]
["96940175","CC(COCCOc1cccc2cccnc12)(COCCOc1cccc2cccnc12)COCCOc1cccc2cccnc12"]
["184181812","CC1=[C-]C(C2C[B+]C(B3CCOCC3)B=C2B2CCC(c3bc[nH]c3C)CC2)CC=C1F"]
["155876931","C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3cccc(Cl)c3)CCOCC2)N1"]
["86258341","CN(CC1CCCO1)c1cc2c(cc1F)C(=O)C(=O)N2"]
["175516878","COc1cc2[nH]c(C)cc(=NC(C)c3cccc(C(F)F)c3F)c2cc1OC1COC1"]
["89678189","Cc1cc(C)c(NCC2COCCN2)c(Cl)c1"]
["48769651","Cc1cc(Br)cc(C)c1NC1CCOCC1"]
["180589701","CC1=CC(C)(C)C=C(F)C2=C1CCC2OC1C=C2OC[C@@H](CC(=O)O)C2=CC1"]
["190751567","CS(=O)(=O)N1CCC(COC(O)=N[C@H]2CCOc3c(C(O)=Nc4ccc(F)c(Cl)c4)ccc(F)c32)CC1.Cl.OC(=N[C@H]1CCOc2c(C(O)=Nc3ccc(F)c(Cl)c3)ccc(F)c21)OCC1CCNCC1"]
["90243011","Cc1cc(C2COCCN2)c(C)c(F)c1Br"]
["155136987","Fc1cnc(Cl)c2[nH]c(C[C@@H]3COCCO3)nc12"]
["MCULE-3743015387","Cc1ccc(Cn2nc(C3CCOCC3)c(C#N)c2Br)cc1F"]
["MCULE-8175257157","COc1ccc2[nH]cc(C(=O)N3CCOCC(N=C(O)c4cccc(F)c4F)C3)c2c1"]
["194139101","C.CC1=NN(C)c2nc[nH+]c3c2[N+]1=CC3C(C)(C)C.Cn1cnc2c(c1=N)N=CC2C(C)(C)C"]
["168378289","CC(C)(C)Cn1c(-c2ccccc2O[P+](=O)O)nc2c([NH-])[nH+]cnc21"]
["90034655","Cn1cnc(CCc2ccc(C(C)(C)C)cc2)c1Br"]
["195271847","CC(C)(C)CC=O.Cc1ncsc1-c1cnc(CN=C(O)C2CCCN2N)nc1"]
["198740199","C.C.Cc1nc(CC2CC(Oc3cnc(C(F)(F)F)nc3)C2)nc2c1N=C(O)[C@H]([C@@H](C)OC(C)(C)C)N2C"]
["69630187","CC=Nc1c(C#N)ncn1C"]
["186483514","Cc1ncsc1-c1ccc(CN=C(O)[C@@H]2C[C@@H](O)CN2C(=O)C(N=C(O)CCCN2CCN(Cc3ccc(-c4cc(-c5ccccc5O)n[nH]c4=N)cc3)CC2)C(C)(C)C)cc1"]
["151381439","C[C@H](CC(C)(C)c1c[nH]c2ccccc12)N[C@@H]1CCO[C@H](c2cncn2C)C1"]
["MCULE-3000801795","Cn1cnc2ccc(N=C(O)CC(=O)OC(C)(C)C)cc21"]
["150098062","CCCC(C(=N)O)N1CCN(c2nc3ncn(C)c3c(=Nc3cc(C(C)(C)C)ccc3C)[nH]2)CC1"]
["173087378","Cn1cnc2cnc3c(c(C(C)(C)C)c(-c4cc(F)cc(C#N)c4)n3CC(C#N)NCCO)c21"]
["166763820","CNC1CN(c2nc3ncc(Br)cc3n(N=N)c2=N)C1"]
["33383088","FC(F)(F)C(F)(F)C12C3=c4c5c6c7c8c4c4c9c%10c8c8c%11c%12c%13c(c%14c%15c%13c%13c%16c%17c%18c%19c%20c%21c%22c(c1c1c(c%23c9c9c%10c%11c(c%16%12)c%10c%17c%20c(c%23c1%21)c9%10)C34C(F)(F)C(F)(F)F)-c1c3c(c(c-5c12)C6%14C(F)(F)C(F)(F)F)C=%15C(=C3C%22%19C(F)(F)C(F)(F)F)C%13%18C(F)(F)C(F)(F)F)C78C(F)(F)C(F)(F)F"]
["32138045","FC(F)(F)C12C3=C4c5c1c1c6c7c8c9c%10c%11c(c2c2c%12c%13c%14c(c%15c%16c%17c(c%18c5c6c5c%18c6c%17c%17c%18c%16c%14c%14c%16c%13c(c2%11)c2c%10c%10c9c9c7c5c5c6c%17c6c(c95)c%10c(c%162)c6c%14%18)C4%15C(F)(F)F)C3%12C(F)(F)F)C18C(F)(F)F"]
["77072798","FC(F)(F)C12C3=C4C5=C6C3=C3c7c8c9c%10c%11c%12c%13c%14c(c%15c%16c%17c(c1c1c%18c%19c%20c%21c%22c%23c(c7c7c9c9c%11c%11c%12c%12c%14c%16c%14c(c%18%17)c%19c%16c%21c(c9c%227)c%11c%16c%12%14)C3(C(F)(F)F)C2=C1C%23%20C(F)(F)F)C4%15C(F)(F)F)C5(C(F)(F)F)C%13C%10C68C(F)(F)F"]
["34307602","FC(F)(F)C12C3=C4C5=C6C3=C3c7c8c9c%10c(c%11c%12c%13c(c%14c%15c%16c(c1c1c%17c%18c%19c%20c%21c%22c(c7c7c9c9c(c%217)c7c%20c%20c%18c(c%17%16)c%16c%15c%13c%13c%15c%12c%10c9c%15c7c%20c%16%13)C3(C(F)(F)F)C2=C1C%22%19C(F)(F)F)C4%14C(F)(F)F)C5%11C(F)(F)F)C68C(F)(F)F"]
["32822792","FC(F)(F)C12C3=C4c5c6c7c8c(c51)C1(C(F)(F)F)c5c2c2c9c%10c%11c(c%12c%13c%14c(c-6c6c%15c%14c%14c%16c%17c%18c%19c(c(c%20c-8c1c1c8c5c2c2c%10c5c%10c%11c%13c%14c%10c%17c%10c%18c(c1c%20%19)c8c2c%105)C76C(F)(F)F)C%15%16C(F)(F)F)C4%12C(F)(F)F)C39C(F)(F)F"]
["32337490","FC(F)(F)C12C3=C4c5c1c1c6c7c5c5c8c9c%10c(c%11c%12c%13c(c%14c2c2c%15c%16c%17c%18c%19c%20c%21c%22c(c7c5c5c9c7c(c%225)c5c%21c%18c9c%18c%17c(c%14%15)c%13c%18c%13c%12c%10c7c%13c95)C%20(C(F)(F)F)C6=C(C12C(F)(F)F)C%16%19C(F)(F)F)C3%11C(F)(F)F)C48C(F)(F)F"]
["33147123","COC(=O)C(C)(C)[C@@]12c3c4c5c6c7c8c9c%10c%11c%12c(c-4c4c1c1c%13c2c2c%14c3c5c3c7c5c7c8c8c%10c%10c%11c%11c(c4%12)c1c1c4c%13c%12c2c2c%14c3c5c3c2c2c%12c4c4c(c1%11)c%10c1c8c7c3c2c14)[C@]69C(C)(C)C(=O)OC"]
["34421248","CC(C)[C@@H]1N[C@@H](c2c(F)c(F)c(F)c(F)c2F)C23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c2c2c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c2c2c%11c4c4c%12c5c7c5c8c9c2c45)C613"]
["100957437","FC(F)(F)C(F)(F)C12C3=C4C5=C6C37NC73c7c1c1c8c2c2c9c%10c(c%11c%12c%13c(c%14c%15c%16c(c3c3c7c7c1c1c%17c8c9c8c9c%10c%12c%10c%12c%13c%15c%13c%15c%16c3c3c7c1c1c(c3%15)c(c%13%12)c(c9%10)c1c%178)C6%14C(F)(F)C(F)(F)F)C5%11C(F)(F)C(F)(F)F)C42C(F)(F)C(F)(F)F"]
["100957436","FC(F)(F)C12C3=C4C5=C6C37NC73c7c1c1c8c2c2c9c%10c(c%11c%12c%13c(c%14c%15c%16c(c3c3c7c7c1c1c%17c8c9c8c9c%10c%12c%10c%12c%13c%15c%13c%15c%16c3c3c7c1c1c(c3%15)c(c%13%12)c(c9%10)c1c%178)C6%14C(F)(F)F)C5%11C(F)(F)F)C42C(F)(F)F"]
["100957438","FC(F)(F)C12C3=C4C5(C(F)(F)F)c6c1c1c7c2c2c8c9c%10c%11c%12c%13c%14c%15c%16c%17c(c5c5c6c6c1c1c%18c7c8c7c8c9c%12c9c%12c%13c%16c%13c%16c%17c5c5c6c1c1c(c%187)c(c89)c(c%12%13)c1c5%16)C%15(C(F)(F)F)C4(C(F)(F)F)C(=C3C2%10C(F)(F)F)C%11%14C(F)(F)F"]
["97678997","C[N+]1(C)CC23C4=c5c6c7c8c9c%10c(c%11c2c2c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c%12c%11c%10c%21c%10c%20c%11c%18c%12c%18c%17c%17c%15c%15c%14c2c3c2c5c3c5c6c6c8c(c9%10)c%11c%12c6c5c%18c%17c3c2%15)C%132C[N+](C)(C)CC%19%162)C47C1"]
["184279849","NC1CC=C(O)C=C1C#CC1C=CC(C#CC2=CC(=NO)CC(C#CC3=CCC(C#CC4=CC(O)=CCC4O)C=C3)C2=O)=CC1"]
["82598563","CCOC(=O)C(C)=CC1C=CC(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3NCC2CC2)=CC1"]
["32808424","C[C@]12CCC3C(CCC4=C/C(=N/O)CC[C@@H]43)C1CC[C@@]21C=CC(=O)O1"]
["102921450","CC[C@H](C)[C@H](N)C(=O)OC[C@@H]1COC(=C2C=CC(=O)C(OC)=C2)N1"]
["154157914","CC1=C2OC(=C3C(=C1)C(=O)C[C@H]3O)C=CC1=C2[C@@H](O)[C@H](O)C=C1"]
["75607533","CC1C[C@H]2CC2/C=C\\C=C\\C(=N\\O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1"]
["170664303","O=C1C(I)=CCC[C@H]1O"]
["175217716","CCN1CCN(c2ccc(O)c(C3=CCC(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)N=C(O)N=C4O)C=C3)n2)CC1"]
["28742577","CC(=O)O[C@H]1C[C@@H]2C=C(O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(O)=CC[C@H]3[C@H]12"]
["174153318","NCc1ccc(C#CC2C=CC(C(O)=N[C@@H](CN)C(O)=NO)=CC2)cc1"]
["90535457","COC(C)C1C(C)CC2C3CC4C=CC(=O)C5C(=O)C(CCCN=C(O)C=CCC4C2C2OC2C31)N=C5O"]
["82046454","CCN1C(=O)C(CCCN)N=C(O)C(N)Cc2cc(ccc2O)-c2ccc(O)c(c2)CC1OC(=O)O.Cl.Cl"]
["178767080","C#C/C=C\\C=C(/C)CNc1nc(C#CC[O-])nc2c1[N-]CN2C(C)[Cl+]I"]
["82798461","C=C(N=CC=CN)c1ccc(C)nc1C(=O)N1CC2[B]C2CC1CNc1cnc(C(F)(F)F)cn1"]
["12393642","CC(C)C1=NO[C@H](CNC(=O)c2ccc(C#CC(C)(C)O)o2)C1"]
["92431209","C#CCN(CC)c1nc(CNC(C)C)co1"]
["196542111","CNc1nc(C#Cc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1C[C@H](C(C)=O)C(O)[C@H]1O"]
["175514611","C=C/C(=C\\C=C/C)c1cnc(CNc2cnc3ccccc3n2)[nH]1"]
["187812016","C=C(C)c1cc(NC(CCC)CCC)cc(C(=C)NCc2cnc(C(C)C)nc2)c1"]
["185909090","CN=C(O)C1(C)C[C@@H](n2cnc3c(NC(C)C)nc(C#Cc4ccc(Cl)s4)nc32)[C@H](O)[C@@H]1O"]
["174913135","C=C/C=C\\CC(C)CNC(=O)c1cccc2nc(C(=O)N3CCc4nn(C)cc4C3)cn12"]
["58065493","CCC(CO)N=c1nc2c(c(NCc3cccc(OC(C)=O)c3)[nH]1)N(C(C)C)NN2C(C)C"]
["139630666","Cc1csc(CNc2cc(Br)cc(OC(C)C)c2)n1"]
["MCULE-1548408142","C=CCN1C(=O)C(NCC2CCC(C(=O)OC(C)C)CC2)=C(c2ccc(OC(C)C)cc2)C1=O"]
["195758250","CC(C)(O)C(C)(C)OB=c1ccc2c(ccc3c4c(ccc32)=C[C](B2OC(C)(C)C(C)(CCC3(C)OB(c5ccc6ccc7c8ccc(B9OC(C)(C)C(C)(C)O9)cc8ccc7c6c5)OC3(C)C)O2)C=C4)c1"]
["82948696","CC(C)(C)OC(=O)N1CCCC1c1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1"]
["MCULE-1506365769","COCCCN1CCC(N=C(O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1"]
["174786874","CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c6c(c7c(c5c4)=C7)C=6)CC3)ccc2[nH]1"]
["96645608","CC1(C)OB(c2ccc(-c3cc4c5c(c3)CCc3cc(-c6ccc(B7OC(C)(C)C(C)(C)O7)cc6)cc(c3-5)CC4)cc2)OC1(C)C"]
["170991292","[2H]C([2H])([2H])c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1"]
["179587606","CCC1(C)[n+]2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(-c3ccccc3)cc2C1(C)C"]
["82822775","COCCCN1C(=O)CSc2ccc(N(C(=O)C3CNCCC3c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C3CC3)cc21"]
["180029393","CC1(C[C@](C)(C(=O)OCc2ccccc2)S(C)(=O)=O)CC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)=NO1"]
["163047949","COc1cc(C)cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1"]
["196662272","Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(O)=NCC(F)(F)F"]
["24567714","CCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1"]
["187139720","[C+](NCc1cc2ccc(-c3ccc4c(Cc5ccncc5)n[nH]c(=Nc5nc6ccccc6o5)c4c3)cc2o1)=c1ccccc1=[C-]Cc1ccncc1.[Ni].[Ni]"]
["159935300","COc1cc(C)nc(CN2CCCCC2c2nc3ccccc3o2)c1"]
["16670947","Cc1ccc(-c2n[nH]c(=NC(=O)C(=O)NCc3ccncc3)s2)c(C)c1"]
["56449830","O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC(=O)N(Cc2ccccc2)C1"]
["1019096","O=C(NCc1ccncc1)C(=NO)c1ccccc1"]
["MCULE-6462316147","Cc1cccnc1C(O)=Nc1nc2cc(-c3cc4ccccc4o3)ccc2o1"]
["190856732","NCc1nnc(O)c2cc(NCc3ccccc3)ccc12.O=C1c2ccccc2C(=O)N1Cc1nnc(O)c2cc(Br)ccc12"]
["13807080","CC(=O)N(Cc1ccc2c(c1)OCO2)c1cccc(-c2nc3ccccc3o2)c1"]
["198210350","NC(=O)c1cc(OCC2CCN(c3nc4ccccc4o3)CC2)ccn1"]
["56778499","C=CCN(C[C@H]1O[C@@H](c2cccc(-c3cccc(CN=C(O)c4cnc5ccccc5n4)c3)c2)O[C@@H](c2ccc(CO)cc2)[C@H]1C)C1CCCC1"]
["78738200","CC(C)(O)C#Cc1nccc2c(=NC[C@H](N)Cc3ccccc3)nc(-c3ccncc3)[nH]c12"]
["28048123","Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1nc2ccccc2o1"]
["170379404","C=NC(=C)C(O)=Nc1cc(OCCc2cc(N=C(O)c3ccc(-n4ccnc4)nn3)c(C(O)(C(F)(F)F)C(F)(F)F)cc2F)c(F)cc1C(=O)O"]
["31482493","CCc1nn(-c2nccnc2C)c(Nc2ccc(OC(F)(F)F)cc2C(=O)O)c1-c1ccc(OC)nc1"]
["MCULE-3188979329","CCOc1ccccc1-c1cnc(OC)c(N=C(O)c2cnccc2C(F)(F)F)c1"]
["138694416","COCC(NCC(O)=Nc1cc(OC)ccc1OC)c1ccc(F)c(F)c1"]
["175447221","CCc1nccn1Cc1ccc(-c2cc(CC(C)C)sc2OC(=O)N(Cc2ccc(F)cc2)S(=O)[O-])cc1F.O=C(O)C(F)(F)F"]
["131250114","OC(=NCc1cccnc1-n1ccnc1)C1(Cc2ccccc2)CCC1"]
["MCULE-7923673516","N#Cc1cc(F)ccc1-c1ccc(OCCCC(O)=Nc2cccc3cnccc23)cc1"]
["119818613","CC(=O)n1cc(C(O)=Nc2ccc(F)c(F)c2F)c2ccc(F)cc21"]
["175570814","COCc1cc(N=C(O)C(N)=C(C2CCCCC2)C2CCCCC2)c(F)cc1C(C)C(O)=NC(F)C(F)F.Cl"]
["MCULE-2784051494","CCOC(=O)c1c(N=C(O)c2c[nH]c3cc(C(F)(F)F)ccc3c2=O)sc(C(=O)OCCOC)c1C"]
["MCULE-2578342544","COc1cc(N=C(O)c2cnccc2C)cc(-c2cc(F)ccc2F)c1"]
["136570866","CCc1nnsc1C(O)=Nc1ccc(C)cc1CN(C)C"]
["57036948","C[NH2+]c1ccc(Nc2ccc(N=C3C=CC(=[NH+]c4ccc(C)cc4OCO)C=C3OCO)cc2OCO)cc1OCO"]
["136790474","Cc1ccc(C(C)C)c(OCC(O)=NN=C(O)C2CC=CC2)c1"]
["123569239","Cc1ccc(F)c(OCC(O)=NN=C(O)c2ccccc2)c1"]
["126982920","Cc1cc(C)cc(-n2c(C)cc(C(O)=NN=C(O)Cc3ccncc3)c2C)c1"]
["46976962","CCOc1ccc(N=C(O)c2oncc2C)cc1CO"]
["190039845","Cc1ccc(CCCO)c(Oc2ccccc2C#N)c1"]
["142819526","COc1cc(C)cc(C(O)=NCc2ccn3ccnc3c2)c1O"]
["102313202","Cc1ccc(C(C)C)c(O[C@H](C)C(O)=NCCOc2cccc(C)c2C)c1"]
["32452924","Cc1cc(O)n[nH]c1=Nc1ccc(Cl)c(C(F)(F)F)c1"]
["119581103","Cc1ccc(C)c(OCCN=C(O)NCC(C)C)c1"]
["61393214","COC(=O)C(N)CSCc1cc(=O)oc2cc(C)ccc12"]
["59525168","CCOc1ccc(C)cc1N=C(O)Nc1ccc2c(c1)CCNC2"]
["197757752","C=C1N2C=C(C(C)N3CCCC(C(F)(F)F)C3)C=C(C(F)(F)F)C2=CN1C1CCC[C@H](C(C2CCC2)C2NNCN2C)C1"]
["121593201","CC(c1nc(Cc2ccccc2)no1)N1CCCC(C(F)(F)F)C1"]
["127051871","CCN(CC(=O)N=c1cc[nH]n1C(C)C1CC1)CC(O)C(F)(F)F"]
["138653985","O=C(CN(CCCO)Cc1cccc(Cl)c1)N1CCCC(C(F)(F)F)C1"]
["99719025","[B+]=C1C=[C-]C(N=C(O)c2cc(N=C(O)c3c(Cl)ccc(CN=C(O)C(C)(C)C)c3Cl)ccc2N2CCCC(C(F)(F)F)C2)C=C1"]
["141782165","COc1cc(C(C)=O)ccc1SCC(=O)N1CCCC(C(F)(F)F)C1"]
["143209770","O=C(CN1CCC[C@@H](C(F)(F)F)C1)N(Cc1ccco1)CC(F)(F)F"]
["135101693","O[C@H](CN1CCC[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F"]
["171335074","OC(CN1CCCC(C(F)(F)F)C1)=NCc1ccccc1Cl"]
["69620844","[C-]#[N+]C(C)(C)C(N)C1CCN(C2=CC(=[NH2+])C3C(=O)N(N)C(=O)N(C4CC4)C3=C2OC)C1"]
["15403850","Cc1nnc([C@H](N=C(O)[C@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc2)n1C"]
["137736996","CC1CCCC(C)N(CCCOCC(F)(F)F)C1"]
["193709004","C.C[Si](C)(C)CC12C3=C4C5=C6C7=CC8CC9=CC%10=CC%11CC%12CC%13CC%14=CC(C7)C6C3=C%14C1C%13C%12C1=C2c2c4c(c9c%10c2=C1%11)=C58"]
["150161989","CC(C)C[N+](=N)N1CCCC1c1ncc(C2=CC=C(N3CCC(c4cnc(C5CCCN5C(=O)C(NCN5CCOCC5)C(C)C)[nH]4)CC3)C3C4CCC(C4)C23)[nH]1"]
["163469118","COC(=O)CCCC1(C)C2C3CC4CC5=CC6CC7=CC8CC9CC%10=CC21c1c2c%11c%12c(c5c5c%12c%12c%13c(c9c%10c1c%13%11)C8C%12=C7C56)C4C=23"]
["90786922","CC(C)(C)OC1C2C=C3CC4OC(C)(C)OC4CC(C2)C31"]
["CNP0417547.1","C[C@@H]1/C=C\\[C@H]2C3=C4CC[C@@]56C(=C(O)[C@@H]7CC[C@H]8[C@H]9C[C@@H](CN8[C@H]7CC7CCCCC7)[C@@H]7C=CC8=C([C@@H]4[C@@H]4[C@@H](CC=C[C@H]42)C8)N7C9)OC(=O)[C@@]35[C@H](C1)[C@@]61OC(=O)c2c(CCCN)cccc21"]
["78011066","CC12C=CCC3(C)C(=O)OC(C=C4COC(=O)C=C41)C23"]
["180726776","[NH3+]C(O)C1=CC(OC2C=Cc3[nH]c(=NCC45CC6CC7=C4C5C(C7)C6)[nH]c3C2)CCO1"]
["186575329","CC(CCC(C)(C)C1CC2OCCC21)C1CCCC2C3=C(CC4C(C3)CC4C(C)(C)C)C21"]
["SN0294006-01","CC1=CCCC2C1=CCC(C)C2(C)CC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21"]
["178699076","CCCC=C(C=CCC=c1oc(=CCC2CC3C[NH2+]CCC23)n(CC)c1=O)N(CC)CC"]
["78011068","CC12CC(O)CC3(C)C4=CC(=O)OCC4=CC(OC1=O)C23"]
["193866690","Cn1nc2c(c1[C@H]1Cc3cc(Cl)cc(-c4ccnc5cc(CN6C(=O)C7C(C6=O)C7(C)C)sc45)c3O1)CCCC2.O=c1ccn(CC(F)(F)F)c(=O)n1Cc1cc2nccc(-c3cc(Cl)cc4c3OCC4)c2s1"]
["190778905","BrC(Br)=C(Br)SSC(Br)=C(Br)Br"]
["33757818","C/C=C/C=C(Br)Br"]
["175423890","C=C/C(CCO)=C(/Br)SC.CC"]
["186743021","C/C(Br)=C(\\C)C#N"]
["25906102","CC(=O)SSC(C)=O"]
["175315560","C=C/C(Br)=C(\\C=C)SC"]
["97472693","C=C/C(Br)=C/CC"]
["91280329","C=C(Br)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1"]
["83954839","O=CC(Cl)=C(Br)Br"]
["193959515","BrSBr.O=S(=O)(Cl)Cl"]
["185536932","BrC=C(Br)SBr"]
["25124041","CC(Br)C(Br)=C(Br)Br"]
["47457181","C1C[Si]N[NH2+]1"]
["173829324","C1COCN1.C1C[OH+]C[NH2+]1.[S-2]"]
["178563919","C1C[NH2+]CSN1"]
["98088984","O=C1C=C2COC[C@H]2C1"]
["184089325","C1NNN[NH2+]1"]
["87925784","O=C1CN=C2SNN=C12"]
["62082568","C1C[Si]#[N+][N-]1"]
["97379269","C1CC12CN2"]
["62533348","C1[Si]#[Si]C[Si]#[Si]1"]
["81856674","C1NCOOO1"]
["52362209","C1C[Si]CCN1"]
["174279935","CN1CC[NH2+]S1=O"]
["170683140","p1ppp(-p2pppp2)p1"]
["97419715","p1pp[p-]p1"]
["164568735","OCCCCp1pppp1"]
["183923608","[N-]=[N+]=Np1pppp1"]
["183131627","Cc1pppp1N=[N+]=[N-]"]
["181064145","[N-]=[N+]=Np1cppp1"]
["96853213","p1pp2p3p1p23"]
["91046056","p1pp2ppp12"]
["167262666","[Li+].p1pp[p-]p1"]
["182908746","c1npppn1"]
["101080576","C1=CNP(p2pppp2)N1"]
["167262342","[Na+].p1pp[p-]p1"]
["182212204","[N]=N[N]C([NH-])C[NH-]"]
["55191799","CC(C)C[C@H](C)[NH-].[Ac]"]
["194288863","[NH-]Cc1csc(Br)n1"]
["1099422","[N]=N/N=N/N=[N-]"]
["57894870","[N]=NN=[N+]=[N-]"]
["19824","CC(N)C[NH-].O=C([O-])CP(=O)([O-])[O-].[Pt+4]"]
["82264010","CC(CC=O)CN1CC(O)C1"]
["167398525","[CH2-]CC(C)[NH-].[Li+].[Li+]"]
["181338498","COC[C@@H](N)C[NH-]"]
["185725122","[NH-]Cc1c(F)c(F)c(F)c(F)c1F"]
["99571868","CC[NH-].[CH2]C(C)C.[Sn+]"]
["49603001","[NH-][C@H](C#[O+])C[Se]"]
["175843700","[B+]=[O+][C-]([O-])c1[sH+]c2c(Br)[sH+]c(Br)c2c1F"]
["89390096","NCc1c[nH]c2cc(F)c(Cl)c(F)c12"]
["91295726","Fc1c(F)c(Cl)c([Si](F)(Cl)Cl)c([Si](Cl)(Cl)Cl)c1F"]
["101931540","Fc1ccc(Br)c2c(I)c[nH]c12"]
["74471638","Oc1cc(F)c(Cc2c(F)c(Cl)c(O)c(Br)c2F)c(F)c1"]
["176469398","[2H]c1nc(F)c([2H])c(C#N)c1Br"]
["111216320","O=c1c(I)c[nH]c2c(F)cc(F)c(Br)c12"]
["114508113","O=c1c(I)c[nH]c2c(F)cc(Br)c(F)c12"]
["145070763","O=C(O)C1(c2c(F)cc(F)c(Br)c2F)CCCC1"]
["163315791","N#CCCc1c(F)c(F)c(Br)c(F)c1F"]
["MCULE-2447128904","OC(=NC1Cc2ccc(Br)cc2C1)c1cccc(I)c1F"]
["147730537","N#CCc1cc(Br)c(F)c(Br)c1"]
["75274107","BrC1CCC2NC(C3CC3)C3(CCSCC3)C2C1"]
["60383320","CC(C)C1(C(C)C)CCSCC1"]
["178293934","CC1(I)CCC(C2CCCS2)C1"]
["159901908","Cn1cnc(S(=O)(=O)NC2CCOC3(CCSCC3)C2)c1"]
["107119715","C[C@@H]1CC[C@@H]2NCCC(C)(C)[C@@H]2C1"]
["159172215","CC[C@@H]1CS[C@@H]2CCC3(CC3)[C@H]2N1"]
["162268454","NCC1(CC2CCCC2)CCSCC1"]
["172003175","Brc1ccc(NC2CC3CCC2N3)nc1"]
["94680185","CCSCCC(C)NC1CCOC2(CCSCC2)C1"]
["95788564","CCNC(c1ccc(Br)o1)C1CCOC2(CCSCC2)C1"]
["158030379","C1CSC[C@H](N[C@H]2C[C@@H]3C[C@@H]3C2)C1"]
["173182985","CC.CCC1(N)CC1C1CCC2C(C1)C(C)(C)CCC2(C)C"]
["180215547","ClC12NC3NC(NC4C5NCCNC5C5NC6C7NCCNC7C7NC8C9NCCNC9C1N8[N+]2(N45)N67)C1NCCNC31"]
["106099336","Cc1cc(C)c2c(c1)OC(C)(C)[C@@H](N1CCC[C@H](C)C1)[C@@H]2O"]
["173057368","Cc1cc(C)c2[nH]c(=[NH2+])n(Cc3ccc(C4(C(=O)O)CC=CC4)cc3)c2n1"]
["179628736","OC1NCCc2ccccc2C1(O)c1ccccc1"]
["151914116","CN1CCN(OC(=O)[C@@H]2[C@H]3NCCN[C@@H]3C(=O)N2c2ccc(Cl)cn2)CC1"]
["157230982","C[C@@H]1C[C@](O)([C@H]2CCCN2)CN1C"]
["179769857","OC1NCN(Cc2ccccc2)C12CCNCC2"]
["171664893","CC(C)(C)CN1C(O)=C(C(=O)NC2CC2)C(=O)N2NC3NCCNC3C12"]
["186500526","FC1(F)CCC(N2NC2(c2ccccc2)C(F)(F)F)CC1"]
["174084334","C1CNC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3CCCNC63)C3CCCNC53)C3CCCNC43)C2C1.I.I"]
["91412991","CC1=NNC2C3NCCNC3C(=N)NN12"]
["176125920","C1CNC2C3CC4NC(CC5NC(CC6NC(CC(N3)C2N1)C1NCCNC61)C1NCCNC51)C1NCCNC41.[Cu]"]
["90963052","CC[Ge](CC)CC.CC[Ge]CC.C[Ge](C)C"]
["79917117","CC[BH-](CC)CC.CC[BH-](CC)CC.[Ca+2]"]
["96875062","CCOP(OCC)[Se]C"]
["91610297","CCc1nc(CC)c2nc(O)n(C)c2c1C"]
["79390076","CCCO[Ge](OCCC)OCCC"]
["79583497","CCC.OP(O)O.OP(O)O"]
["101706930","CCN.[Rb]"]
["171104090","CCC1(C)C(N)C(C)(CC)C1N"]
["175044735","CCO.NC1CCC(N)CC1"]
["79270764","CCC.CNN"]
["173333873","CCN.[H-].[K+]"]
["78432229","CCC(F)(F)C(F)(F)CC(C)C"]
["91164983","C1=c2sc3c(c2=[Si+]C1)=[Si-]CC=3"]
["50704720","C1=c2ccsc2=CC1"]
["134854202","COCC(O)=NC(c1ncc(C)s1)C1CC1"]
["157817199","CO[C@@H](C)[C@H](C)Nc1ncc(C)s1"]
["144646121","COCOC1=CCCC=C1"]
["26342265","N=C(N)c1cc2c(C#Cc3ccco3)cccc2s1"]
["174472848","COc1cc2n(n1)CSC2"]
["65843287","Cc1cc(Br)c(C(Cl)c2ccc(Br)s2)s1"]
["2202738","COc1cc(C)sc1C(O)=NC1CC1"]
["175255232","COCOC1(C#N)C=CC(c2ccccc2)=CC1"]
["53234932","C=C1CCc2ccc3[nH]c(=N)sc3c21"]
["100415584","N#CCC1CC1c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12"]
["171420757","[2H]C=C([2H])/C=C(\\C(=C)/C=C\\C(=C)C(=C)/C=C\\C([2H])=C)c1c([2H])c([2H])c([2H])c([2H])c1/C(=C/C([2H])=C[2H])C1=C([2H])C([2H])=C([2H])C2Oc3c([2H])c([2H])c([2H])c([2H])c3C12"]
["184713457","C=C(N)C1=CC=CC2Oc3ccccc3C12"]
["196528176","[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c(Cl)c([2H])c3c1C2c1c([2H])c([2H])c([2H])c([2H])c1O3"]
["153944630","C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@](C)(OC(C)=O)[C@@H]21"]
["27255604","C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C)c(o2)[C@H]1O[C@@H]1c2oc(cc2C)[C@H](C(=C)C)[C@H]2C=C(CC[C@H]1C(=C)C)C(=O)O2"]
["68677444","O=C1OC(Nc2[nH+]cc(Br)cc2Br)c2ccccc21"]
["51330476","COc1ccc2c(c1OC)C(=O)OC2N1C(=O)CCC1C(O)=Nc1cc(C)cc(C)c1"]
["175386499","C=C(/C=C1/CCOc2ccc(C3CCNCC3)cc2N1)C(=C)NCC(F)(F)F"]
["188033477","C=C1CC(C)CC(CCCOc2cc(F)c(C(=O)[C@@H]3CC[C@H]3C(=O)O)cc2C2CC2)C1"]
["32451118","C=C[C@@H]1C[C@@H](C(C)(C)O)Oc2cc(C)c(O)cc21"]
["195500625","C=CCCCN(C1=CC2Oc3cc(N(CCCC=C)c4c(C)cccc4C)ccc3C(c3ccccc3S(=O)(=O)O)C2C=C1)c1c(C)cccc1C"]
["185941804","C=C(/C=C\\C=C(/CC)c1cnn2ccc(=NC3CCOCC3)[nH]c12)CC(F)(F)F"]
["178514551","[NH3+]N=CC=NCF"]
["163040695","O=C(O)/C=C\\C(O)=NCCF"]
["161839657","NCC/C=C(/N)CF"]
["186584028","CC(=C/N)/C=N/CF"]
["162130300","CC(Cl)C=NCC(C)C"]
["172119177","CCCN=CC=NCCC.C[N-]/C=C\\[N-]C.[Mn]"]
["173583439","C=CC=NCON"]
["179916581","C=C(C)C(C=NCC)CC"]
["26216580","C[CH]CF"]
["173384733","CC=NC=NC/C=C/C"]
["83082418","CCCC=CC(=O)CF"]
["73598719","FCCN1CC2CC2C1"]
["12196872","C[C@H]1C[NH+](C)[C@@H](C)C/C1=N/CCC[NH+](C)C"]
["8691597","CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1"]
["156935039","C[C@H]1CCC[C@@H](C)N(C(O)=NCCCN2C(=O)CCC2=O)C1"]
["14995931","CCCCN=C(O)[C@@H]1CS[C@@]2(C)CCC(=O)N12"]
["91944181","CC1CN(C(=O)C2COCCO2)CC/C1=N\\O"]
["79139694","CC/C=C1/CC(C)CC1C"]
["13981007","CN(C)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1"]
["179923389","CC1=C=CC(=NCO)CC1C"]
["69837261","CCSC(C)(C)C1CCC(C)CC1=O"]
["150177906","CC1C=C(F)C(=NCCO)CC1"]
["34540567","CCCC[C@H]1CC(=O)CC(=O)O1"]
["184196948","C[C@H]1CCCCC1=NCCCS(=O)(=O)O"]
["172543686","C=Cn1cnc2onc(/C=C3\\N=CN/C(=C\\c4noc5ncn(C=C)c45)c4c[nH]cc43)c21"]
["87464428","C=Cc1nc(-c2coc3ccccc23)no1"]
["144035342","CCOc1ccc(C2=NC(=Cc3ccnn3C)C(=O)O2)cc1"]
["200591463","O=C1/C(=C/c2n[nH]c3ccccc23)N=C(S)N1CCO"]
["135722767","NC(=O)c1ccc(C(=O)OCCn2cnc3ccsc3c2=O)s1"]
["MCULE-6165150883","COc1ccc(-c2nn(C)c3c2C(c2ccccc2F)C(C(=O)N2CCOCC2)=C(N)O3)cc1"]
["175535819","C=Cc1cc2c[nH]cc2nc1C=C"]
["150769086","Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2ncn(CC4CC4)c23)no1"]
["189032805","CC(=O)N1CC(O)=N/C(=C\\c2ncn(CCCN3CCN(C(=O)C4CCCCC4)CC3)c2C(C)C)C1=O"]
["MCULE-4712633508","O=C(Cc1noc2ccccc12)N=c1cc[nH]cc1-c1ccnc(F)c1F"]
["8452205","COC(=O)c1ccccc1/C=C1\\N=C(c2ccccc2F)OC1=O"]
["MCULE-9848094964","Cc1cc(C(=O)N=c2c(C)c[nH]cc2-c2cnn(C)c2)no1"]
["62824540","CCCB1N(C)B(CCC)N(CCC)B(N2B(CCC)N(CCC)B(CCC)N(B3N(CCC)B(CCC)N(C)B(CCC)N3CCC)B2CCC)N1CCC"]
["49536021","CCCn1ccnc1C(CC(C)(C)C)NCC"]
["158441011","CCCCCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1"]
["49210518","CCCn1ccnc1C(NC)c1ccc(I)cc1"]
["153441081","CCCn1cnc(C[C@H](OCCNC)C(=O)O)c1"]
["106804724","CCCn1c2ccc([C@H](C)O)cc2c2cc([C@@H](C)O)ccc21"]
["180389697","CCCN1NNNC1C(C)C"]
["59225485","CC#CCB1N(C)B(CC#CC)N(C)B(CC#CC)N1C"]
["26107653","CCCn1cc(Br)c(C#N)c1-c1ccc(C)cc1"]
["107344494","CCCn1ccc([C@@H](C)NC(C)C)c1"]
["74156948","CCCN1C2=C[CH+]C=CC2=[C-]C1C"]
["111933073","CCCn1cc(CNc2ccc(O)c(C)c2)cn1"]
["161725459","Cl[Se]1(Cl)(Cl)(Cl)CCCC[Se]1"]
["185785810","CN(C)I1CCCCC1"]
["174903162","C1CC[Se]CC1.[H-].[K+]"]
["44566489","C1CC[Se]CC1"]
["97208627","C/C(Cl)=C1\\CCCC[Se]C1"]
["79110257","C1CCCCC[Se][Se][Se][Se]CCCC1"]
["79109367","C1CCC[Se][Se][Se][Se][Se][Se]CC1"]
["185785811","CC(C)N(C)I1CCCCC1"]
["161761013","C1CO[Se]C1"]
["33711234","C1#C[Se]CCC[Se]C#C[Se]CCCCC[Se]1"]
["79318692","C1CC[Se]OC1"]
["79109313","C1CCCC[Se][Se][Se][Se]CCCC1"]
["74425081","FC(F)C1C#[N+]N[C-]1"]
["101338044","FC(F)[C@@H]1CNCCO1"]
["179451084","C[C@H](F)C1CC(F)C(F)CC1F"]
["55553017","FC(F)C(F)(F)C(F)C1CCCCC1"]
["79289167","OOC1=[C-]NN=[C]N1.[Na+]"]
["157055316","FC(F)C1[C@@H]2CNC[C@@H]12"]
["170907540","CCC(F)C1CNC1.CCC(F)C1CNC1.O=C(O)C(=O)O"]
["59903346","FC(F)C1OC1F"]
["157879688","CC(C)(N)[C@@H](F)[C@@H]1C=CCN1"]
["112322327","FC(C1CCC1)C1CNC1"]
["175401663","CC.CO.OC1CNCC(C(F)F)C1"]
["91068543","OC(C(F)F)(C(F)F)C(F)(F)C(F)C(F)(F)F"]
["52911408","C[Si](C)(C)O[Si]1(c2cccc(C(F)(F)F)c2)O[Si](C)(CF)O[Si](C)(F)O[Si]2(O[Si](C)(C)O[Si](C)(C(F)(F)F)O[Si](O[Si](C)(C)C)(O[Si](C)(C)F)c3cccc2c3)O1"]
["29606768","CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccc(OCc3cccc(C(F)(F)F)c3)c(Cl)c2)C2(O)CCCCC2)CC1"]
["128201686","COc1c(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c(C)nn1C"]
["9384103","O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(C(O)=NC[C@H]2CCCO2)CC1"]
["195286178","CCCn1c(=O)c2c(nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)n2C(=O)OCC)n(CC)c1=O.CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(CC)c1=O.CCOC(=O)Cl"]
["80678546","Cc1cccc(N=C(O)CSCC(O)=NC(CN2CCNC2)c2cccc(C(F)(F)F)c2)c1"]
["174523281","Cc1c(C(=O)Cc2cccc(C(F)(F)F)c2)c[nH]c1C(=O)O"]
["76198336","Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1N=C(O)/C=C/c1ccccc1"]
["105186803","O=C1C[C@H](C(O)=N[C@@H]2CCCCN=C2O)CN1c1cccc(C(F)(F)F)c1"]
["157255944","CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4cccc(C(F)(F)F)c4)c3)c(=O)n2[C@@H]1c1ccccc1"]
["28322328","CN(Cc1ccc2c(c1)CCC(N=C(O)CC1c3cccn3CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)C2)C(C)(C)C"]
["48887726","Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1-c1cccc(C(F)(F)F)c1"]
["175778431","Cc1[c-][n+](N)c2c[c-][n-]cc1-2.[W].[Y]"]
["184700790","CC.Cc1ccc2c(c1)C(=C(N)[O-])N=N2.[Y]"]
["174518403","Cc1ccc2c(c1)-c1ccc3cc(C)ccc3[n+]1CC(C)C2"]
["172103568","[CH2-][n+]1cc(Cl)c[n-]1"]
["58446589","C=Cc1cc(C)[n+](CC)[c-]c1C"]
["179395330","CC1=C(C2=[C-]C=[C-]C(C)C2)[C+]=CCN1N.[U+2]"]
["107915284","CCc1ccc([C@@H]2NC(S)=NC(C)=C2C(O)=Nc2ccccc2Cl)cc1"]
["115094851","Cc1ccc(S(=O)(=O)Nc2nc(C)cc(Cl)n2)c(N)c1"]
["173205222","Cc1ccc(CCN2CCC(Cc3ccc[c-]c3C)CC2)cc1.[Cm]"]
["174090238","CC1=C=CC=NC1C.Nc1[c-]c[c-]cc1.[Y]"]
["103855741","Cc1ccc(C[C@H]2CNc3c(ccc(Cl)c3C)C2)cc1"]
["86840454","Cc1ccc(S(=O)CC(C)CN)cc1C"]
["MCULE-1560863260","Br.[S-]C1=NCC(CBr)[N+]12CCCC2"]
["175768159","CC.CCN1C(O)=NC[C@@H]1C"]
["157874358","BrCc1cc([C@@H]2CCCO2)on1"]
["52905426","BrCC1CCCN(c2ncccn2)C1"]
["113770136","Cc1cc(F)cc(C)c1C(=O)CC1CCC1"]
["157013062","C1C[C@H]2CN=C3N=NNN3[C@H]2C1"]
["195974476","Br.CCN(CC)C1=NC(O)CS1"]
["94512136","Cc1nnc(N(CCBr)C2CCCCC2)nc1C"]
["162599819","Cc1cccnc1N1CCC(CBr)C1C"]
["199534597","O=C(O)c1cnc(N2CC(CBr)CC2=O)o1"]
["86185471","Cc1nc(CN2CCC(CBr)CC2)sc1C"]
["187857002","CCN(CC)CC.O=P(=O)O[C@H]1C[C@H](Oc2cc[nH+]cn2)C[C@@H]1CO"]
["79019235","C#CC#CB1N(C)BN(C)B(C#C)N1C"]
["198282595","C#CC#CN=N/C=C\\C"]
["62743674","CC1=[N+](C)C(=S)N(C)[NH+]1C"]
["96838677","C#CB1OCC(C)(C)C(C)(C)O1"]
["190843784","C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.Cc1ncc(C)c(-c2cnn(C)c2C(=O)O)n1.Cc1ncc(C)c(-c2cnn(C)c2C(N)=O)n1"]
["170926249","[3H]N(I)C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C"]
["182662946","C#CC#C[SiH](OC)OC"]
["170926030","[3H]N(I)C#CC#CC#CC#CC#CC#CC#CC#CC#C"]
["55194101","C#CC#CSCC"]
["87192541","C#CC(NCC)c1nccn1C"]
["MCULE-4046392123","C#Cc1c[nH]ccc1=NC(=O)c1cc(C(C)(C)C)nn1C"]
["170926142","[3H]N(I)C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C"]
["49742413","C(=N[14CH]1CCCCC1)=N[14CH]1CCCCC1"]
["156631285","CCN=C(O)N1[C@H](C)CCC[C@H]1C"]
["162324145","Cl.OC(=NN1CCCCC1)C(F)(F)F"]
["115754137","CC1CCCC(C)N1C(O)=NCC#N"]
["48274961","C#CC1(C)CCCCC1"]
["51694900","N=NCS(=O)(=O)C1CCCCC1"]
["25353587","CC1CCCC(C)N1N(C[C]=O)N=O"]
["182962924","C#CC1CCCCCCCCC1"]
["179562960","CI=C1CCCCC1"]
["193776917","C1CCC1.[B+]=N[S-]"]
["34549113","C=C=C1CCCCCCCCCCC1"]
["55771699","O=NN(CCCl)C(O)=N[14CH]1CCCCC1"]
["70277025","C1O[Si-]2O[Si-]3O[Si]4=[O+][Si-]1[O+]=[Si]1O[Si](=[O+]2)O[Si](=[O+]3)O[Si-](O1)O4"]
["103013141","OC(=NCCC[Si]12O[Si]3=[O+][Si]4=[O+][Si-]5O[Si-](O3)[O+]=[Si](O[Si](=[O+]5)O[Si-](O4)O1)O2)N[C@H]1CCCC[C@@H]1NC(O)=NCCC[Si]12O[si]3o[si]4o[si-](o[si-]5o[si-](o[si]([o+]3)[o+][si-](o5)[o+]4)O1)O2"]
["63822987","[Si-]=[O+][Si]12O[Si]3O[Si]4=[O+][Si-](C[Si-]5[O+]=[Si](O4)O[Si-](O3)O[Si](=[O+]5)O1)O2"]
["145702603","O[Si-]1O[Si-]2O[Si]3=[O+][Si](=[O+]1)O[Si-]1O[Si](O3)O[Si](=[O+]2)O1"]
["83056788","C1[Si]2=[O+][Si-]3C[si-]4o[si-](o[si]1[o+]4)C[Si](=[O+]3)O2"]
["65237964","O1C2OC3OC4OC5OC6OC(O4)O[Si-](O3)OC(O2)OC2OC1OC(O5)[O+]=[Si](O2)O6"]
["103013140","OC(=NCCC[Si]12O[Si]3=[O+][Si]4=[O+][Si-]5O[Si-](O3)[O+]=[Si](O[Si](=[O+]5)O[Si-](O4)O1)O2)N[C@@H]1CCCC[C@H]1NC(O)=NCCC[Si]12O[si]3o[si]4o[si-](o[si-]5o[si-](o[si]([o+]3)[o+][si-](o5)[o+]4)O1)O2"]
["168454025","O[Si]12O[Si]3O[Si](=[O+][Si-](O3)O1)O2"]
["168460207","c1ccc([Si]23O[Si]4=[O+][Si-]5O[Si](=[O+][Si-]6O[Si-](O2)O[Si](c2ccccc2)(O4)O[Si](=[O+]6)O5)O3)cc1"]
["49020484","O1C2OC3OC4OC5OC6OC1OC1OC(O2)O[Si-](O3)OC(O4)O[Si](O5)O[Si](=[O+]1)O6"]
["53671004","O1[Si]2O[Si]3=[O+][Si-]4OC5O[Si-](O[Si]1=[O+][Si](=[O+]5)O3)O[Si-](O2)O4"]
["81136287","O1[Si]2=[O+][Si-]3O[Si-]4O[Si-]5O[Si-]6O[Si-](O3)[O+]=[Si](O2)O[Si](=[O+]6)O[Si](=[O+]5)O[Si]1=[O+]4"]
["179604720","CC1C2C3C4CC[C@@H]5OCCCC(C5C43)[N+]12C"]
["2238502","COc1ccc(S(=O)(=O)N[C@@H](C)C(O)=NC[C@@H]2CCCO2)cc1OC"]
["158351388","C[C@@H]1CN(C(O)=N[C@@H]2C[C@@H]3OCCC[C@@H]32)C[C@H](C(=N)O)O1"]
["66368251","CC1C2CC(CCCC(O)CCC3OCCCO3)C(C2)C1C"]
["195348979","C1C[C@H]2CC2O1"]
["160586824","Cc1ccccc1C(N=C(O)N1CCOCC1C1CCCO1)C(C)C"]
["135250876","CN(Cc1csc(Br)c1)C(O)=NC1CCCC2OCCC12"]
["127506842","Cc1cccnc1CN1CCC2OCCCC2C1"]
["160790378","CC1CN(c2nnc([C@@H]3CCCO3)n2C)CC(C)(C)O1"]
["100364519","CC[N+]1(C2CCCCC2C)CCCC1.[OH-]"]
["16529393","Cc1ccc(N2C[C@H](CN=C(O)[C@H]3CCCO3)OC2=O)cc1C"]
["130234740","COc1csc(C(=O)N(Cc2ccco2)CC2CCCO2)c1"]
["184474797","CI1(=O)NC2CCCC(C2)O1"]
["96706674","C[C@H]1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)[C@H]1O[C@@]31C"]
["195297846","C1CCCC2CC(CC1)N2"]
["158121304","Cc1nn(C)cc1[C@@H]1NCCC[C@@H]1C"]
["113447884","CCN=c1[nH]ccn1C1CCCCC1"]
["151308498","CN(C)C(=O)[C@@H]1COC2(CN(Cc3nccs3)C2)CN1CC1CC1"]
["67589742","CCn1cc[nH]c(=NCC2CCCC2CO)c1=O"]
["159132604","C[C@H](c1n[nH]c(=N)o1)C1CCC1"]
["178762987","CN[C@@H]1CCCC(C(=O)CN2CCC(C#N)CC2)C1"]
["190121543","Cc1ccc(C)n1-c1cc(C(C)(C)C)n(C2CCCC2O)n1"]
["120564848","CNCc1cnc(CC2CCCS2(=O)=O)s1"]
["42253119","CCn1cc[nH]c(=NCC2(O)CCC(C)CC2)c1=O"]
["173602715","O=[NH+]c1[nH+]c(=O)c2cn(I)[n-]cc1-2"]
["29978770","CC1(C)CCCn2cc(I)cc2C1=O"]
["101026280","O=c1cnc2c[n-]c([O-])cn1-2"]
["180078609","CC(I)n1ccccc1=O"]
["150745745","O=c1nc(O)c(F)cn1I"]
["799479","COc1ccc(N=C(O)Cn2c(=O)oc3cc(S(=O)(=O)NC(C)C)ccc32)cc1OC"]
["185028521","COC(=O)c1c(OC)c(=O)c(C(O)O)cn1CC(OC)OC"]
["175083072","O=C1c2ccccc2C(=O)N1I.[H-].[K+]"]
["184195196","NC1=CC=CON1I"]
["91432292","COC1C=CCn2c(=O)cc(C)n21"]
["132347781","O=C1N(CCn2cc(I)cn2)C(O)=NC12CCCC2"]
["MCULE-6864479681","COc1cccc2c1C(=O)N(CC(O)=Nc1c(F)cccc1F)C2=O"]
["166809866","[O-]NC=C1C=CC=[N+](CCC(Br)[N+]2=CC=CC(=CN[O-])[CH+]2)[CH+]1"]
["158543686","[O-]NC=C1C=CC=C1CO.[Ru+2].c1cc[cH-]c1"]
["78042912","[O-]NC=C1C=CC=[N+](Cc2ccoc2)[CH+]1"]
["99263355","CC(C)C(Br)CNc1cc(C(C)(C)C)ccc1[O-]"]
["65586634","CCCCC(Br)C(O)=Nc1ccc(OC)c(OC)c1"]
["MCULE-2505049839","CC(CCN=C(O)C(CO)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1"]
["57569779","O=C1C=CC=C/C1=C/N([O-])C(C[N+](=O)[O-])c1ccccc1.O=C1C=CC=C/C1=C\\N[O-].[Cu+2]"]
["111403022","CCC(Br)CCNCc1ccc(F)c(Cl)c1"]
["75647190","CCC[N+]1=CC=CC1=[N-]"]
["49685842","Cc1ccc(O)c(NCC(Br)C(C)C)c1"]
["185080033","O=P(O)(O)C1=C(CC(Cl)Br)C=CS1=S"]
["80115471","[H+].[NH-][C+]([O-])c1cc[n+](CCCC[N+]2=CC(=CN[O-])C=C[CH+]2)cc1"]
["76991449","C[Ge](C)(C)C=CF"]
["184915724","CC(C)=C/C=C(\\C=C\\F)C(C)C"]
["99355060","F/C=C/F.O=P(O)(O)OF"]
["78719276","O=C([O-])/C=C/F.O=C([O-])/C=C/F.[Ca+2]"]
["27119517","CCCC([CH]F)CC"]
["75297288","Cc1cc(N)cc(CC=CF)c1"]
["79721712","CCCCCCC[CH][Ge](C)(C)C"]
["55971943","CC/C=C/[18F]"]
["172606476","[CH-]=CF.[Fe]"]
["175508952","C=CF.[Pt]"]
["48502484","CC(F)(F)C(C(C)(F)F)(C(C)(F)F)C(F)(F)F"]
["175093497","CC(C)(CN)C/C=C/F"]
["174582611","[OH2+]C(I)=[N+](P)[CH-]I.[W]"]
["62644568","OC[N+](=P)P"]
["78538143","BC(=N)/C(I)=C(/C)P"]
["161912244","O=[N+]([O-])OC(I)=C(I)I"]
["189967008","C=CCCC#CC(=O)I"]
["42340129","ClC/C(Br)=C(/Br)I"]
["69635115","O[CH-]I.[K+]"]
["172744933","C[CH-]O.Cl.[K+]"]
["26510033","O=C(O)C(I)=C(I)I"]
["62842591","O[CH-]I"]
["180832404","C=[N+](O)C(=O)I"]
["44043676","O=C(O)C(=O)[OH2+]"]
["CNP0603900.1","[O][SH]1CCSSC1"]
["162543654","CC(C)C(Br)C(=O)N1CCSSCC1"]
["162573219","Cc1nsc(N2CCSSCC2)n1"]
["174399395","C1CCSSC1.CC(O)C(N)C(=O)O"]
["105155011","CC(C)O[C@@]1(C(=O)O)CCSC1"]
["26385300","CC1CCSSC1"]
["57636142","C1CSS1.O=C([O-])CC(=O)[O-].[Y]"]
["158106338","C[C@H]([C@@H](C)C(=O)O)N1CCSSCC1"]
["160555496","C1CCSSC1.[Ru]"]
["75175936","[O]N1CCCS1"]
["145520978","Cl.O=C1CCCSS1"]
["25421167","[CH]1CCCCSS1"]
["100969396","CC1=C(C)C2(C)C3(C)P4P(C13C)C1(C)C(C)=C(C)C4(C)C12C"]
["53339192","CC1=C(C)C2(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C(C)(C)C(C)(C)C2(C)C"]
["69519828","CC(=O)C1(C)C(C)=C(C)C1(C)C(C)=O"]
["151031247","CC1=C(C)[C@]2(C)N=C(O)[C@@]3(C)[C@]1(C)[C@]32C"]
["173089761","CC1=C(C)C(C)([SiH](C)C)C(NC(C)(C)C)=C1C"]
["46502822","CC1=C(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C"]
["81619997","CC1=C(C)C(C)(C(C)(C)C)C(C)C(C)(C)C1(C)C"]
["25270408","CC1=C(C(=N)O)C(C)(C)NC1(C)C"]
["33534546","CC1=C(c2ccccc2)[P@]2C[C@]1(C)C(c1ccccc1)=C2/C=N/[C@H](C)c1ccccc1"]
["197524023","Cc1nc(C(=O)O)c2n1CC(C)(C)CC2"]
["79240087","CC1=C(C)C(C)(C)C(COCl)=C1C.[Ti]"]
["83962014","CC1=C(C#N)C1(C)C"]
["91074908","[N-]=[N+]=CC(=[OH+])CCCOC(=[OH+])C=[N+]=[N-]"]
["161753685","CC(=O)OC(C[N+](C)(C)C)=[N+]=[N-].[Br-]"]
["79066084","CCCCCCCCCCCCCCCCCCO[C](CC)OCCCCCCCCCCCCCCCCCC"]
["181698099","COC(=O)OCCCCN=[N+]=[N-]"]
["181551386","[N-]=[N+]=NOC(=O)CCCCCCCCCCCCCCCCCOC(=O)C1CCCCC1"]
["74408246","N=C(O)CCCOC(=O)c1ccc(Cl)nn1"]
["101584650","C[C@H](O)COCOCCCC(=O)OO"]
["183356071","[N-]=[N+]=NOC1(Cl)CC1OC(=O)OCCCF"]
["33905076","CCOC(=O)/C=C/[C@@H](N=[N+]=[N-])[C@H](C)O"]
["182540145","CCCCCCCCC(=CN=[N+]=[N-])CC"]
["174729030","CCCCCCOC(C)=CCO"]
["183261044","[N-]=[N+]=NOC(=O)COC(=O)COC=O"]
["79890837","Cl[Si](Cl)=CCC[SiH](Cl)Cl"]
["79904598","C=CCCO[SiH](Cl)Cl"]
["171797810","OCC[SiH](CCO)CCO"]
["164168832","CCS(Cl)(Cl)C[SiH](Cl)Cl"]
["161275457","Cl[SiH2]C[SiH](Cl)Cl"]
["181576141","CC1C=CC=CC1(CCC[SiH](Cl)Cl)CCC[Si](Cl)(Cl)Cl"]
["79259249","SCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl"]
["191996335","Cl[SiH](Cl)CCCCCC([SiH](Cl)Cl)[Si](Cl)(Cl)Cl"]
["26627669","C=CCCCCC[SiH](Cl)c1ccccc1"]
["78968323","C=CCN[Si](NCC=C)NCC=C"]
["174769988","CC(C)[SiH](Cl)CCl"]
["79213240","CCC(Cl)CC[SiH](Cl)Cl"]
["168459101","[Si]1#[Si][Si]2=[Si]3[Si]#[Si][Si]3B12"]
["168459106","[Si]1#[Si][Si]2=[Si]3[Si]#[Si][Si]3N12"]
["43747340","CC1=C(C)C2=[Si-](C)(C)[C+]3C(C)=C(C)C(=[Si]=C1C2C)C3C"]
["184819985","Cc1cc(=O)n2c3c(c4c(cc13)c1c(c(=O)n4C)CCCC1)OC[C@@H]2CN"]
["165404144","Cc1cc(C)c(C(C)N=C(O)NC2CCCCC2)cc1C"]
["108290983","CC(O)=NCC(=O)N1C[C@H](C)[C@]2(CCN(c3cccnc3)C2=O)C1"]
["90066585","Cc1cc(C)c2[nH]c(C)c(CC3CCCC3O)c2c1"]
["111662444","CC1CCCCC1NS(=O)(=O)c1ncccc1NN"]
["90643736","CC(C)N1C(=O)N=C2N=CC=NC2C1=O"]
["113255643","Cc1ccnc(NC2CCCCC2CO)c1Br"]
["163433941","C[C@@H]1CN(C(=O)c2csnn2)C[C@]12CCN(Cc1cccnc1)C2=O"]
["107758443","Cc1cccnc1[C@@H](C(=O)O)C1CCCC1"]
["171393985","Cc1csc2c1CNC(C)C2"]
["169749444","Cc1cccc2c1CC(C)C(C)N2C"]
["193111639","CC1(C)NC(=N)NC(=N)C1(C)C.CN=C1NC(=NC)C(C)(C)C(C)(C)N1"]
["43629875","CC[C@H]1[C@]2(C#[NH+])C(=N)NC(OC)(OC)[C@]12C#N"]
["28145043","Cc1cc(Nc2ccc(F)c([C@@]3(C)NC(=N)N(C)C(=O)C3(C)C)c2)n(C)n1"]
["394190","CC1(C)NC(=N)NC(=N)N1c1ccc(N2C(=N)NC(=N)NC2(C)C)cc1.Cl.Cl"]
["1061370","CCC1(C)C2(C#N)C(=N)NC(OC)(OC)C12C#N"]
["19729305","N=C1NC(=Nc2cccc3ccccc23)NC2(CCCC2)N1"]
["181867310","CC1(C2(C(F)F)COCC(=N)N2)CC(N=[N+]=[N-])=CC(Cl)=C1F"]
["44926748","CCCCN=C1NC(C)(CC)CS1"]
["180668872","CN=C1NC(=N)NC(C(F)C(F)F)N1"]
["85754075","Cc1ccsc1CN=C1NC(C)(C)CS1"]
["MCULE-1177792957","CC(C)c1c(C2(C)CC2)nn(-c2c[nH]ccc2=O)c1Br"]
["192333508","CC[C@@H]1C[C@H]1[C@@]1(C)NC(=N)OCC1(F)F.O=C=O"]
["73834722","[H+].[NH2+]=C([O-])CCCCC[NH+]1[C-]C[OH+]CC1"]
["185488372","CCCCCCCCCCCCCC([O-])=NCCCC"]
["59658403","CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.[Cl-]"]
["96613383","CCCCCCCCC(=O)Oc1cc2c(cc1OC(=O)CCCCCCCC)Cc1cc(OC(=O)CCCCCCCC)c(OC(=O)CCCCCCCC)cc1Cc1cc(OC(=O)CCCCCCCC)c(OC(=O)CCCCCCCC)cc1C2"]
["49097953","CC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-]"]
["26495952","O=C(CCCCCCN1[CH]N=C=C1)N1CCOCC1"]
["55822346","CCCCCCC(=O)C(CC)C(=O)[O-]"]
["175072309","C=NN(/C=C(\\N)CCCCCC)CCCC(C)C"]
["172700795","CCCCCCCCC(=O)c1cc(OC)ccc1C(=O)[O-].[Na+]"]
["19223713","CCOC(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1"]
["32366042","CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Ba+2]"]
["171841641","CCCCCCC(=O)CC(C(=O)[O-])C(O)C[N+](C)(C)C"]
["101303842","CCCNP(=N[PH]1(NCCC)N[PH](NCCC)(NCCC)N[PH](NCCC)(NCCC)N1)(NCCC)NCCC"]
["117666835","CCCNC(=N)NCCC(=O)N(C)C.I"]
["174240550","CCCNC(=NC)N[N+](=O)O"]
["200347320","CCc1nscc1NC"]
["64549854","CCCNC(CCOC)C1CC(C)CC(C)C1"]
["92975570","CCCNS(=O)(=O)N1C(C)SCC1C(=O)O"]
["114967808","CCCNCc1cc(F)c[nH]c1=NCC(CC)CC"]
["25135584","BNCCCC"]
["26023756","C=CC(O)=NNCCC"]
["185536020","CCCNP(=S)(NN)NCCC"]
["148545318","CCCCNCc1ccnn1CC(F)(F)F"]
["17595805","CCCNc1c(N=O)c(=O)n(C)c(=O)n1C"]
["178278993","O=C=C1CC#CC(CCC(I)CI)C1"]
["107216148","CCC[C@H]1CN(C(C(C)=O)C(C)=O)c2ccccc2N1"]
["189209318","CCC/C=C(\\CCNC(C)C)CC1CCC=C(CC)CC1"]
["23151130","N#CCN(C(=O)C=Cc1ccc(Br)s1)C1CC1"]
["173932146","NC1CC[SiH](CI)CC1"]
["59735509","CCC(C(=O)O)N1CCC(COC)C1"]
["180580267","CCC1(OC(=O)COC(=O)C(I)CI)C2CC3CC(C2)CC1C3"]
["79017525","O=[C]OC1C#CC1"]
["124971343","CCCC1CCc2c(sc(=O)n2CN(C)C(C)C(=O)OC(C)C)C1"]
["59795292","COCC1CCCN1[C]=O"]
["151015023","CC(C)CC[C@@H]1CCC(=O)C1"]
["112672289","CCCC1CC1Nc1nc(C)cc(C(C)C)n1"]
["147829864","O=C1CCCC2=C1Cc1cc3c(cc1CO2)CS(=O)OC3"]
["32084069","O=C1CCCc2nc3c(cc21)COc1ccccc1-3"]
["2777705","O=C1CCCN1CCC(O)=NCc1cc(F)cc2c1OCOC2"]
["191188370","C=S(O)(=Nc1cc2c3c(oc2c2ccccc12)CCCC3=O)c1ccc2c3c(cccc13)C(O)=N2"]
["104849111","O=C(O)CCC[C@@H](O)c1ccc2c(c1)CCCO2"]
["74338867","O=S1(=O)CCCc2ccc[c]c21"]
["180150744","Cc1nc(C(O)=C2C(=O)CCCC2=O)ccc1C(F)(F)F"]
["181326411","CCc1ccc2c(c1)CC(CC)C(=O)O2"]
["50437509","COc1nc2c(cc1Br)CCCC2=O"]
["MCULE-6940845237","Cc1n[nH]cc1-c1ccc2c(c1)C(=O)CCC2"]
["46212635","Cc1cc2c(n1C(C)C(C)C)CCCC2=O"]
["31260172","CCCN(CCC)C1COc2cc3c(cc2C1)C(=O)CCC3"]
["179956498","CCCCCC(C)(CC1CC(C(C)(C)C2CCC(OCC3CO3)CC2C(CC)(CCCC)CC2CC(OCC3CO3)CCC2C(C)(C)C2CCC(OCC3CO3)CC2)CCC1OCC1CO1)C1CC(C(C)(C)C2CCC(OCC3CO3)CC2)CCC1OCC1CO1"]
["171704528","C1OC1COC1CC2=C(C1)O2"]
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["56749440","N=c1ccc2cccn(O)c-2c1"]
["99515247","N=c1ccc2[n+]([O-])ncn(O)c-2c1"]
["195137027","CC(C)c1ccn(C=N)c(=N)c1.[CH3-].[Rb+]"]
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["176078472","[CH2-]C(=O)ON(CCCCCCCCCCCC)OC([CH2-])=O.[Na+].[Na+]"]
["85854999","CCCCCN(c1cc([C@@H](C)O)ccn1)C(C)C"]
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["175321031","CCCCCCCCN=C(O)S(=O)O"]
["182119955","CCCCNC[NH-]"]
["171748727","[O+]#[Ge]OOOOOOOOOOO[O-]"]
["190918787","[Li+].[Li+].[O-]OOOOOOOOOO[O-]"]
["52257635","[O-]OOOOOCCC1CCC1"]
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["159610354","[Li+].[Li+].[O-]OOOOOOOOO[O-]"]
["79073504","[Ag+].[O-]OOOO[Cl+2]([O-])[O-]"]
["172746716","[Na+].[Na+].[O-]OOOOOOOOOOOOOOOOO[O-]"]
["175262566","O=P([O-])(F)F.O=P([O-])(F)F.[Mn+2]"]
["193803003","[O-]OOO[O-].[Sr+2]"]
["175506889","O=P(O)(O)F.O=P([O-])(F)F.[Li+]"]
["175985911","[Mn+2].[O-]OOO[O-]"]
["172703718","[Na+].[Na+].[O-]OOOOOOOOOOOOOOOO[O-]"]
["187503175","S=C=NP1(N=C=S)=N[P+](N=C=S)(N=C=S)N=P(N=C=S)(N=C=S)NP(N=C=S)(N=C=S)=N1"]
["158065069","Cl[C@H]1COC[C@H]1N=c1cccn[nH]1"]
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["145764660","C[Si](C)(C)OS(=O)(=O)N=C=S"]
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["162793510","Cc1nc(=NCC2C3COCC23)s[nH]1"]
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["119494549","COc1ccccc1N1CCN(c2nccc(=NCC3CCCO3)[nH]2)CC1"]
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["156553522","C[C@H]1NCCC[C@H]1N=c1cccn[nH]1"]
["25991502","N#CCN1[C]=CN(C#N)C1C#N"]
["65656602","N#CC1CC=CCN1N"]
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["MCULE-4982059108","CCCN1C2CCC(C#N)CC1CC2"]
["88721257","N#CCN1C(=O)C(=O)c2c(F)ccc(F)c21"]
["183460007","N#CCN1CCO[C@H](COc2ncccc2Cl)C1"]
["175894307","Cl.N#CC1CCN(c2c(F)cccc2F)CC1"]
["26953835","N#CCN1CCN(c2cccc(Cl)c2Cl)CC1"]
["91255109","N#CN1C2C=CC=CC1CC=CC2"]
["89608684","N#CCn1ccc(C=O)n1"]
["74456481","N#CCN1[CH]C(=CC2(C(=N)O)CCCCC2)N=C1"]
["78472116","N#CC1NC=[C]O1"]
["195643127","C.C1CNP(=N[P+](N2CCCC2)(N2CCCC2)N2CCCC2)(N2CCCC2)NC1"]
["169889836","C1CN2CCNCC2(C2C3CNCC32)C1"]
["94052122","CC(O)=NC1CCCN(C(C)C(O)=NCc2ccccc2C)C1"]
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["107629819","c1cc([C@@H]2CCNC2)n2c1CCC2"]
["170777370","F[P-](F)(F)(F)(F)F.O[P+](N1CCCC1)(N1CCCC1)N1CCCC1"]
["175314494","CC(C)(CN1CCCC1)N=CO.[HH]"]
["177865514","CC(C)(C)[P+](N1CCCCC1)(N1CCCCC1)N1CCCCC1"]
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["193814291","C.C.C=C1CCCN1C(C)CC"]
["182287580","C1CCN2CCNN=C2C1"]
["60984211","C1CCN(C2CNCCS2)CC1"]
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["94708664","CC1(n2ccc(O)nc2=S)CCOCC1"]
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["145572288","NS(=O)(=O)c1c(F)cnc(Br)c1C(F)F"]
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["145423213","Nc1c(OC(F)(F)F)cnc([N+](=O)[O-])c1O"]
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["46557822","Cc1nc2c(OCC(=O)N3CCN(Cc4ccccc4)CC3)cccn2c(=O)c1-c1cc(C)n(-c2ccc(F)cc2)n1"]
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["48390353","CCN(CC)N1C=CN(c2ccccc2)C=C1"]
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["150687537","CSSSCC(C)(C)C"]
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["179111211","CC(C)(Br)CC(C)(C)C[N+](=O)[O-]"]
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["66882578","CC(C)(C)C(C)(C)[NH-].[Ti+2]"]
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["164494974","CC(C)(C)[As](N)C(C)(C)C"]
["101070311","[2H]C(CC(C)(C)NO)C(C)(OC)OC"]
["75086510","[O]C(=O)C[NH+]1C=C=CC=C1"]
["107578546","CC[C@H](C)n1c(C(C)C)ccc(C(=O)Cl)c1=O"]
["187168910","O=C(O)C1=C(C2CC2)C=CC=I1"]
["43217165","CCP(=O)(O)c1ccc(C(=O)OC)cc1"]
["74868388","COc1cc(CC([O])=O)cc(OC)c1OC"]
["26637614","[2H]OC(=O)c1ccc(C(=O)O[2H])cc1"]
["4130756","Cc1ccc(C)n1-c1ccc(C(=O)OCC(O)=Nc2ccccc2SCC#N)cc1"]
["190711006","CC(C)n1cc(CC(C)(C)C)cc1C(=O)C(C)(C)C"]
["4677073","CCN1CCCN(C(=O)[NH2+]c2ccc(C)cc2)CC1"]
["79271361","CC=CC(=O)P(=O)(OCC(C)C)OCC(C)C"]
["170426830","O=C(O)NCCn1ccc2c(Br)cc(Cl)c(Cl)c21"]
["106130982","C[C@@H](C(=O)O)n1c(CO)cc(=O)c(O)c1CN(C)CC(=O)O"]
["168380340","O=CC(=[O+]C(=O)O)C(OC(=O)O)C(OC(=O)O)C(C=O)OC(=O)O"]
["45873166","COC(=O)C(C=O)=CN=C(C)O"]
["192082159","CC(=O)ON[C@@H](c1ccccc1)[C@@H](OC(C)=O)C(=O)O.CC(=O)O[C@@H](C(=O)O)[C@@H](N=C(O)c1ccccc1)c1ccccc1"]
["79011214","C/C=C(\\CC(=O)O)C(=O)O[Si](C)(C)C"]
["185096356","CC(=O)N(CC(O)=N[C@H](CCC(=O)O)C(=N)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](C=O)N=C(C)O"]
["150489096","CC(O)=N[C@H](C=O)[C@@H](N=CO)[C@H](O)[C@@H](C)O"]
["42285759","Cl.O=C(O)OC(Cc1ccccc1)c1ccccc1"]
["172295273","C/C=C(\\C)C(=O)OC(CC)O[P+](O)(OC(CC)OC(=O)/C(C)=C/C)OC(CC)OC(=O)/C(C)=C/C"]
["73760687","O=CC(Oc1ccc(Cl)c(Cl)c1)C(c1ccccc1)c1ncc[nH]1"]
["161708228","[2H]CC(=O)OC[C@@H](OC(=O)C[2H])[C@H](OC(=O)C[2H])[C@H](OC(=O)C[2H])[C@@H](OC(=O)C[2H])C(=O)OC(C)C"]
["104019974","O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1"]
["64009507","CC(=O)OC(/C=C(\\C)C=O)OC(C)=O"]
["178459977","[CH2-][I]N[I](F)(F)F"]
["66411165","FNC(N(F)F)(N(F)F)N(F)F"]
["181814577","FI(F)(F)=[SiH2-]Br"]
["59129445","[B-]=I(F)(F)F"]
["174901950","FC(F)C(F)N[SiH3]"]
["182218339","[N-]=NN=I(F)(F)F"]
["94453699","N=C(NCCCC(F)(F)F)C1CC1"]
["79496641","[CH2-]S(=O)(=O)NF.[Li+]"]
["110865904","FC1(F)[C]=C(Cl)C1(F)F"]
["78539320","CC(=N)NCCCC(F)(F)F"]
["175606659","FC(F)(F)NCl"]
["180819304","[CH2-][I]N[I]CCC"]
["170520559","O[Si]1(O)O[Si]2(O1)O[Si](O)(N1C=CNC1)O2"]
["124189572","Cc1ccc(C=CC(=O)N2Cc3ccccc3C2)o1"]
["MCULE-5334341311","O=C(c1ccc(-c2c(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)ccc(F)c2F)cc1)N1CCOCC1"]
["88878566","C[C@H](Cl)C1NCCc2c(O)ccc(F)c21"]
["21261458","C[NH+]=C(O)NC[C@@H](C)N1CCc2ccccc2C1"]
["15873387","Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1"]
["24530040","Cc1noc(C(C)N=C(O)C(C)N2CCc3ccccc3C2)n1"]
["171277687","C=C(C)C[C@@H](c1c(F)ccc(F)c1F)N1CCNCC1.Cl.Cl"]
["23732175","Cc1noc(C)c1C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1"]
["159007695","CC(C)CC[C@@H](c1cc(Br)ccc1F)N1CCNCC1"]
["159022928","Cc1cc(Cl)cc([C@H](CF)N2CCOCC2)c1O"]
["181909779","O[Si]1(O)OOCOO1"]
["179059269","[NH-][C-]C(I)=ICC=[C-]C([I]I)=II"]
["179533896","C[C@@H](CC(F)F)C([NH-])=II"]
["195680382","C=C(C)C=[C-]N(C)C(C)=II"]
["180184928","CC(C=C(I)CCC[NH-])=II"]
["180554975","C=IC([NH-])C(C=[C-]I)CNCC.[U+2]"]
["195759661","CCC=[C-]C(=O)ONC.[Mn]"]
["195359544","[NH-]C[I]C([O-])O[I]I"]
["179196824","CC(=ICC=[C-]F)C(C)C"]
["80875534","CCOC(=O)C(I)=C(CC)C(=O)OCC"]
["76211575","CCC1(CC)C(C=C(I)I)C1C(=O)O"]
["177211731","CCCC(C)(C)C=C(c1cccs1)c1cccs1"]
["179995816","O=C(O)CC1CCC[C@@H]1C(=O)I"]
["SN0116866","[NH]CCCCCCCCCCCCCCCC[NH+]1C=C(CCCCCCCCCCCCC2=CN(CCCCCCCCCCCCC3=C[NH+](CCCCCCCCCCCCCCCC[NH3+])[CH-]C=C3)CC=C2)C=C[CH+]1"]
["175516969","CCCCCCCCCCCCN1C=CC(N)=CC1"]
["69550884","C=C(C(=O)OC)c1c(CCN2C=C(C(=O)OC)C=CC2)c2ccccc2n1C"]
["53124498","COc1ccc(CCCCCCCCCCN2CCCC2)cc1N(Cc1cc2ccccc2o1)C(=N)N"]
["51542072","CCCCCN1C=C(N(C)C(=N)N)C=CC1"]
["3037872","N#Cc1c(CCCCC[NH3+])[nH][nH]c1=N"]
["98789126","CCCCCCCCCCCCCCCCOC(=O)C1=C(C)N=C(C)C(C(=O)OCCCCCCCCCCCCCCCC)C1C1=CN(CC(=N)O)CC=C1"]
["159521430","CC(C)(C)OCCCCCCC1=CCC=C1.CC(C)(C)OCCCCCCC1=CCC=C1"]
["65994733","CC1=CN(CCCCCCCCN2CCCC(C)C2)CC=C1"]
["73595986","O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)c(CCCCCCCCCCCCCO)c(O)c12"]
["174023471","[B+]N[B+]NCC(O)CN1C=C(CC(O)(P(=O)(O)O)P(=O)(O)O)C=CC1"]
["73627769","CN1C=C2C=CC3=CN(CCCCCO)CC4=C3[C]2C(=C1)C=C4"]
["177974441","O=[SH](=O)N=PN[SH](=O)=O"]
["20055688","[NH3+][C@@H]1CCON=C1O"]
["166850652","BC(O)=NN[SH](=O)=O"]
["78491134","O=[SH](=O)N=CO"]
["79971354","N=C(N)N=PNP"]
["99890303","CC(N[SH](=O)=O)c1c[c]ccc1"]
["25227122","O=C=N[SiH](N=C=O)N=C=O"]
["78491169","CBC(O)=N[SH](=O)=O"]
["78483934","CC(=N)N[SH](=O)=O"]
["96481740","C.N[SH](=O)=S"]
["78740447","N=C(O)NN=[SH](=O)O"]
["27195913","CS(=O)(=O)N[SH](=O)=O"]
["180197945","CPC1CC(CN2C[N-]C3=C2NC=NC3)CC1PC1CC(n2ccc([O-])nc2=O)CC1PC1CC(N2C=CCNC2)CC1[I+]I"]
["170961269","CC1(C)N=C(O)N(Cc2cc3c(-c4cc(Cl)cc5ccn(C[C@@H]6CNCCO6)c45)ncnn3c2)C1=O.Cl"]
["74033029","COCOC[C@@H]1C[C@H](n2cc(/C=C/Br)c(O)nc2=O)C[C@H]1OCOC"]
["104874547","Cc1cn([C@H]2C[C@H]3O[C@](c4ccccc4)(P(=O)(O)O)OC[C@@H]3O2)c(=O)nc1O"]
["192606431","CC1C(n2ccc([O-])nc2=O)OC(C[Cl+]OC(=O)c2ccccc2)(NN=N)C1C"]
["144317013","COc1ccc(-c2cc3nc(CN4CC5CCC4C5)[nH]c(=O)c3s2)cc1"]
["186737806","N#Cc1cc2cnc(Nc3ccc4c(c3)CCNC4)nc2n(CC2CC2)c1=O"]
["80433336","O=C(OCC1CC(=O)N(C2CC2)C1)c1c[nH]nc1-c1ccccc1F"]
["175732546","C=c1[nH]cc/c1=c1/c(=C\\C)nc(CNS(C)(=O)=O)n1C1COCC(F)(F)C1"]
["170604240","CCCN1CCc2cc3c(cc2C1=O)nc(-c1cc2ccc(Cl)nc2n1CC1CC1)n3C"]
["77582127","COc1cccc2c1N(CC1N=C(O)C3C(c4ccccc4)=CSC3N1)CCC2"]
["171733666","Cc1nc2ccc(-c3ccn4[nH]c(=NC5CCN(C6COC6)CC5(F)F)[nH]c(=N)c34)nc2n1CC(F)(F)F"]
["192380527","CN1N(C)C(C)([NH3+])C=C[NH+]1C.O=P(=O)OP(=O)=O"]
["182084464","CC1(C(=O)OC(=O)C2(C)CCN3CCCC=C32)CCN2CCCC=C21"]
["167334397","CN1CC(C)(C)C[NH+](C)P1.Cl[P-](Cl)(Cl)(Cl)(Cl)Cl"]
["192131708","O=P(=O)OP(=O)=O.O=P(=O)OP(=O)=O.[Sn+4]"]
["99668524","CC(C)CCCCC[OH2+].O=P(=O)OP(=O)=O"]
["181271493","CC(=O)OC1(OC(C)=O)C=CC(C(=O)N2CCN(C(=N)O)C2=O)=CC1"]
["47251943","CC(C)(C)CN1C(=O)OCC1(C)C"]
["99432646","Cc1ccc(C[OH2+])cc1C.O=P(=O)OP(=O)=O"]
["99668642","CO.O=P(=O)OP(=O)=O.[Pt+2]"]
["67149218","CC1(C#CC(=O)O)C=C1"]
["MCULE-8513811050","CN(C)CCn1ncc(C=O)c1C(F)F"]
["99668452","ClCCl.O=P(=O)OP(=O)=O.[Na+]"]
["99583786","CC1(O[Si](C)(C)C)C(C)(O[Si](C)(C)C)C(C)(/C([O+]=[Si-])=C(\\O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](O[Si](C)(C)C)O[Si](C)(C)C)C(C)([O+]=[Si-])C(C)([O+]=[Si-])C1(C)[O+]=[Si-]"]
["27119839","CC(=O)O[Si](OC(C)=O)(OC(C)=O)O[Si](OC(C)=O)(OC(C)=O)O[Si](C)(C)C"]
["99542619","C[Si](C)(C)O[Si](OP(=O)=O)(O[Si](C)(C)C)O[Si](C)(C)C"]
["33154635","CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4[C@@H]5OS(=O)(=O)O[C@@H]5[C@](O[Si](C)(C)C)(C(C)=O)[C@@]4(C)[C@H](OC(C)=O)C[C@@H]32)C1"]
["79075430","C=CC(=O)O[Si](O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(C(C)C)C(C)C"]
["83064681","CCCOCCC[Si]([O+]=[Si-])[O+]=[Si+]CS([O-])([O-])O"]
["193224252","C[Si](C)(C)O[Si](CO)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["81885455","COC(=O)C1=CCC[C@]2(C)C(=O)CC[C@]12O[Si](C)(C)C"]
["79921471","CC(=O)[C@H]1CCC2C3CC(Br)C4(Br)C[C@@](O)(CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C[C@]5(O)CC[C@]6(C)C7C=C[C@@]8(C)C(CC[C@@H]8C(C)=O)C7CC(Br)C6(Br)C5)CC[C@]4(C)C3C=C[C@@]21C"]
["81489487","C[Si](C)O[Si](O)(O[Si](C)(C)C)O[Si](C)(C)C"]
["83526181","COC(=O)C=CC1(O[Si](C)(C)C)CCC(=O)CC1C(=O)OC"]
["147871830","C[C@]1(c2cc(Br)ccc2F)N=C(O)COC1(F)C(F)(F)F"]
["101069386","Cc1oc2nc1C(O)=N[C@@H](CSC(C)(C)C)c1nc(c(C)o1)C(O)=N[C@@H](C)c1nc(c(C)o1)-c1cn(nn1)-c1nc(co1)C(O)=N[C@H]2C"]
["139154148","CCn1cnnc1C1CCCN(C(=O)Cc2nc(-c3ccco3)oc2C)C1"]
["173628719","CCc1cn(CC)nn1.[B+]Cc1cc(C)c(O[C-]CCC)c(O)c1.[V]"]
["MCULE-6676563801","COc1ccc(CC(=O)N(C)CC2(C)CCN(C(=O)c3coc(C)n3)CC2)cc1"]
["179202110","CC(=O)OC(C)(C)C(=O)OCC1C=CC(N2C=C(F)C(O)=NC2O)O1"]
["MCULE-1141348497","CC(C)=CCOc1cn(Cc2ccco2)c(CSC(C)(C)C)cc1=O"]
["13710095","CCOC(=O)C1=C(Cn2cc([N+](=O)[O-])cc(C(=O)OC)c2=O)NC(O)=N[C@@H]1C"]
["31632231","CC(=O)OC1C[C@H](n2cc(C)c(O)nc2=O)O[C@@H]1COC(O)=NCc1cn(C2C[C@H](n3cc(C)c(O)nc3=O)O[C@@H]2CO)nn1"]
["MCULE-3596842212","CCn1nccc1C(=O)N1CCC(CN2CCN(C(=O)c3coc(C)n3)CC2)CC1"]
["5927765","Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2C)c1"]
["MCULE-8320687171","Cc1nc(C(=O)N2CCC(CCN(C)C(=O)c3ncoc3C)CC2)co1"]
["12482157","Cc1cccc(-n2c(SCC(=O)N3CCN(C(=O)CC(C)(C)C)[C@@H](C)C3)nnc2-c2ccco2)c1"]
["176363448","[B+]C([O-])(CO[c-]1[c-]([O-])c(=[B+])c(=[B+])[c-](C)[c-]1[O-])C1(O)[B+]C2(B=C3C(=[B+])C(OC)C(OC)C(=[B+])C3C2([B+])O)N1"]
["197229500","COCCC(N=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=N[C@H](CCO)C(=O)O"]
["124131522","COCC(N=C(O)N=c1cc[nH]cc1)C1CC1"]
["28181140","COCc1ccc(C)c(C)c1[C@H]1Nc2c(ccn3ccnc23)[C@@H](OC)[C@@H]1O"]
["197230981","CCC(CC)(N=C(O)C(CCCOC)N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O"]
["197274702","COCC(C)(N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC2CC2(C(=O)O)C1"]
["197150883","CC1(C(O)=NC(CO)C(=O)O)CCCC1N=C(O)OCC1c2ccccc2-c2ccccc21"]
["162070490","COC1N=C(S)NC1(O)C(C)C"]
["199889626","COCC1(COP(=O)(OCC2(COC)C(=O)C3CCN2CC3)[C@@](C)(N)C(=O)OC(C)C)C(=O)C2CCN1CC2"]
["197509960","CCC(COC)(N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C(=O)O)C1"]
["79970056","CC(C)(C)C(=O)OC1CCC(OC(=O)C(C)(C)C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)C(OC(=O)C(C)(C)C)CCC8OC(=O)C(C)(C)C)s6)s5)s4)s3)ccc21"]
["167083594","COCC(C)(C)c1noc(-c2cccc3nc(O)[nH]c23)n1"]
["103006792","[B+]=C1[P-]PC(=[B+])[P-]1"]
["99574144","[B+]=C1C=CC(C#N)=C[N-]1"]
["168488406","[B+]=C1C[N-]1"]
["150545103","ClCC(I)C(I)CCl"]
["168152295","[NH3+]C1=[S+]C=C(CCl)[NH2+]1"]
["99765302","[B+]=C1C=CC(Cl)=C[N-]1"]
["174578707","[B]C1CSC(=[B+])[N-]1"]
["174323475","[B+]=C1[CH-]N([CH-][NH-])C(=[B+])C1=[B+]"]
["91348781","[B+]=C1[N-]O1"]
["99705255","[B+]=C1[N-]C(C)=C(C)O1"]
["173256859","[B+]=C1[CH-]C(F)(F)C(F)(F)C1(F)F"]
["185579553","O=C(O)C(C(=O)CCl)c1ccccc1"]
["178508422","CI(C)N1C[I-]C[I-]1"]
["195663098","C[C@H]1CN(C)C[I-]1"]
["178983871","CN1C[I-]CC1F"]
["195534265","CC(C)(C)[I-]N1CC1"]
["90967956","CC1(O)C=C[Se]C1"]
["179964483","CC1CC(C)C(Cl)N(C)C1"]
["184352427","CI(C)N1C=C=C[N-]1.[Re]"]
["178183451","CI(C)N1CCN(C(=N)C(F)(F)F)C(=[NH2+])C1"]
["162952885","CC1CC2(CC(C)N1N)CC2C"]
["105499210","CC1CCN(C(=O)C[C@H](C)C(=N)O)CC1"]
["73603664","CI(C)C1CC1"]
["178879440","CN1CNC[I-]C1"]
["163883687","BCCCCN(B)CCN(B)CCCC(B)CCN(B)CCN(B)CCN"]
["79576329","CCN(CC)N(CC)CCN"]
["107522864","CN(C)CC[C@H](O)CCCN"]
["78376104","CNC(CN)CCN(C)CCN"]
["146589727","CC(c1ccc(S(N)(=O)=O)cc1)N(C)CCN.Cl"]
["111353819","CCCC(CN)C(=O)N(CC)CCCN(C)C"]
["81499800","N=C(O)C(CCCN)N(Cc1ccccc1)c1ncc[nH]1"]
["58247949","CCCCN(CCN)C(C)c1ccccc1"]
["45021516","CCN(CCN)CCCCO"]
["114547291","NCCN(CC(F)F)C(O)=NCc1ccccc1"]
["86618625","CCN(CCN)CCCF"]
["27091982","NCCN([C]=O)CCN"]
["180054189","CC12C3CC4C5CC6C7CC8C9=C%10CC3C%104C91C87C562"]
["173724937","CC1(C)C2=NC3C(CC2C1(C)C)C(C)(C)C3(C)C"]
["48161244","C=C1O[C@@H]2C(C)[C@H]1CC1C(=C)C12C"]
["173447103","C[C]1C[C@H]2[C@@H](C[C@H]1O)C2(C)C.[Po]"]
["193119017","Cc1cccc2c1CC1CC2C1(C)C"]
["179292040","CCC1C2CC3C4CC1C(C)(C)C4(C)C3(C)C2CC"]
["188331546","C1[C@@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]8[C@H]1[C@]21[C@]43[C@]65[C@@]871"]
["178125192","CC1(C)C2(C)C3CCCC4C5CC3C1(C)C5(C)C42C"]
["70618046","CC1([NH2+]CCO)CC2C(CC1=NO)C2(C)C"]
["178243102","CC12CC3CC4CC(C1)C2(C)C43C"]
["96731074","C=C(CCl)[C@@H]1CC[C@]2(C)CCC(=O)C(C)=C2C1"]
["179551849","CC12CC34C5CC(C1CC1CC6CC5C35C1CC65)C24C"]
["42878440","[3H]B([3H])B(C[N+](CB(B([3H])[3H])B([3H])[3H])(CB(B([3H])[3H])B([3H])[3H])CB(B([3H])[3H])B([3H])[3H])B([3H])[3H]"]
["79805009","CC[N+](CC)(CC)CC.O.[O-]B([O-])[O-]"]
["102970529","CC[N+](CC)(CC)CC1C[O+]1"]
["24982037","CCO[Si](C)CS"]
["44656574","OC[N+](CO)(CO)CO.[OH-]"]
["100753035","BrCC(Br)C[N+](CC(Br)CBr)(CC(Br)CBr)CC(Br)CBr"]
["171027366","CC(CCl)C(CCl)CCl"]
["79805048","CCC[N+](CCC)(CCC)CCC.OB(O)O"]
["162237332","CCO[BH-](OCC)OCC.C[N+](C)(C)C"]
["79955109","CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[O-]B([O-])Cl"]
["195591589","CCO[N+](C)(OC)OC"]
["185499159","OC(O)C(CCl)CCl"]
["162018749","CC(/C=C/C(C)=C/C1Cc2nc(cs2)CCC(N)CC(=O)OCC/C(C)=C/C=C\\C(=O)O1)=C\\CN(C)C"]
["157284832","CC[C@@]1(C)CC12C(=O)N=CN=C2O"]
["74099567","C/C1=C\\C=C\\C(C)C2(O)CC(OC(O)=N2)C(C)C2OC2(C)C(OC(=O)[C@H](C)N(C)C(=O)CCC(C)C)CC(=O)N(C)c2cc(cc(C)c2Cl)C1"]
["70166183","CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC(=N)O)CC(C)C(=O)C(C)C2N=C(O)OC12C.[Ac]"]
["32439831","Cc1ccc(S(=O)(=O)OCCC[C@]2(O)/C(=C/c3c(C)cc(C)cc3C)CC[C@@]3(CCCO3)[C@@]23CCCO3)cc1"]
["76698024","CCCCCCCC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CCCC(CC4CCOC(C=CC(C)(C)C1(O)O2)O4)O3"]
["159914435","Cc1cc(CN(C)S(=O)(=O)c2cnn(C3CCOCC3)c2)no1"]
["106664773","Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CCOc3ccccc32)n1"]
["127307332","CN(Cc1cc2ccccc2o1)C(=O)c1csc(C2CC2)n1"]
["107007353","CC(C)(C)n1c(CCO)nc2c1CC[C@H](N)C2"]
["194381270","C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OCCCCCCN=C(O)c3cc(Cc4nnc(O)c5ccccc45)ccc3F)CC[C@@H]12"]
["210511","COc1cc(O)c2c(c1C)C(=O)OC[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@H](CO)CSC2"]
["161912977","O1C2OC23OC13OC12OC3OC31O2"]
["196504496","CC(C)C1CC(C(C)C)(C(C)C)O1"]
["176066964","C1CC(OC2CCCC34OC23O4)C23OC2(C1)O3"]
["61277857","CC(C)O[C@H]1[C@H]2OC(C)[C@]1(OC(C)C)O[C@H]2C"]
["98474058","OC1(O)OC2OC(O)(O)C(O)(O)C2C1(O)O"]
["8875550","CO[C@H]1C=C[C@@](OC)([C@H](C)O)O1"]
["100953293","CC(C)C(=O)[C@H]1OC(C)(C)O[C@@H]1C(=O)C(C)C"]
["59670800","CC(C)[C@H]1OC(C)(C)O[C@]1(C)C(C)C"]
["177487841","OC1(O)OC(C23CC4CC(CC(C4)C2)C3)O1"]
["84032147","COC1(OC)OC(C(Cl)(Cl)Cl)C1C"]
["26333237","CC(C)C1OC2(C)CCC1CC2"]
["108425822","CC1(C)O[C@@H](OC(c2ccccc2)c2ccccc2)[C@H](OC(c2ccccc2)c2ccccc2)O1"]
["96767517","[N-]C1[CH+][C+](N)C([N-])[CH+][C+]1N"]
["159169210","CC1(C)[C@@H]([C@@H]2CC[C@H]3C[C@H]3C2)[C@H]1N"]
["96578010","[N-][C@H]1C2=C[CH+][CH+]C=C2C[C@H]1O"]
["101301982","N[C+]1C=CC(Br)C=C1"]
["97192755","CC(=[OH+])[N-][C@H]1[C@H](O)C[C+](P(=O)([O+]=[N-])[O+]=[N-])[CH+][C@@H]1O"]
["179405750","[N-]C1[CH+][CH+]C1.[U]"]
["96628051","[N-]C1[CH+][CH+]CN1"]
["159169212","CC1(C)[C@@H]([C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H]1N"]
["97544704","[N-]=[N+]=N[C@H]1[C@H](O)C[C+](P(=O)([O+]=[N-])[O+]=[N-])[CH+][C@@H]1O"]
["159169214","CC1(C)[C@@H]([C@@H]2CC[C@@H]3C[C@H]3C2)[C@H]1N"]
["153500938","N=C(N)[C@@H]1C=CCN1"]
["172359779","Cc1cc(C)c2cc(N)c(N)cc2c1C"]
["161420596","FP1C=[P+]=C[P+](F)=C1"]
["175214569","Fn1p(F)n[p+](F)n(F)p1F.O=P(O)(O)O.OCC(CO)(CO)CO"]
["91033759","FP1C=C1"]
["170160567","Fn1p(F)n[p+](F)n(F)p1F"]
["44840871","Fc1cc(NCc2cc(Br)c(Br)o2)ccc1Br"]
["161684189","F[P+]1=CC1"]
["180505382","C=PP1C=[P+](F)C(C)P(F)C1CC"]
["97516156","FP1C=P(F)=C1"]
["44594662","OS1(F)(F)(F)C=CC(F)=C1F"]
["150069546","c1ccc([N+]23CC[N+](c4ccccc4)(C2)C3)cc1"]
["175839084","FP1C=NSCO1"]
["195338785","C[P+]1=CP(I)CC1"]
["20020904","n1nc2c3c(c4c(c2[nH]1)NN[N-]4)[NH2+]NN3"]
["175599838","C=Nc1[nH]nnc1C(=C)C"]
["57178754","c1ccc(-c2c3ccccc3c(-c3ccccc3)c3[nH]nnc23)cc1"]
["184131759","Cc1ncc(C)c2[nH]nnc12"]
["24917329","Cc1cc2nc3[nH]nnc3c(O)c2cc1C"]
["12951605","c1cc(Oc2ccc3nn[nH]c3c2)c2[nH]nnc2c1"]
["161797260","Nc1c(N)c2[nH]nnc2c2ccccc12"]
["48866027","CC(C)(C)c1[nH]nnc1/C=C/C#N"]
["144839062","CC(C)(C)OC(O)=Nc1[nH]nnc1N"]
["161870059","c1cc2nn[nH]c2c2nnncc12"]
["75032721","O=C(c1c(O)ccc2nn[nH]c12)c1c(O)ccc2nn[nH]c12"]
["76192450","Oc1c(Cl)c(Cl)c(Cl)c2nn[nH]c12"]
["97392419","O=C1c2c3ccc(c2C(=O)N1c1ccc(C#CC2=[S+]C(=C4[S+]=CC=[S+]4)[S+]=C2)cc1)CN1C=CC(=C2C=CN(C=C2)Cc2ccc(cc2)CN2C=CC(=C4C=CN(C=C4)C3)C=C2)C=C1"]
["180509825","COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(N5CCOCC5)n4)cc3)CN=C(O)N=C1O)C2"]
["MCULE-3322973002","CCCCCCOc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccc(OCC)cc3)C2=O)cc1"]
["171797413","CN1Cc2cccc(N=C(O)/C=C/c3ccc4c(cnn4CC4CC4)c3)c2C1=O"]
["28057261","CC(C)(c1ccc(N2C(=O)C=CC2=O)cc1)c1cccc(O)c1"]
["175689579","CC.Cc1cc(C#CC2=CC=C(C3CC(C)(C)N(C)C3=O)PC2)ccn1"]
["MCULE-6079714495","COc1cc2c(cc1OC)C(C)(C)CN(C(=O)C(C)(C)NC(=O)c1ccc(N3C(=O)c4ccccc4C3=O)cc1)C2"]
["149381999","CCCCCCOc1ccc(NC2=C(Cl)C(=O)N(c3ccc(OC)cc3)C2=O)cc1"]
["149373803","COc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)c(OC)c1"]
["MCULE-5027781013","CC(O)=Nc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1"]
["MCULE-4503471562","N#Cc1ccc(N2C(=O)C(Nc3ccccc3Br)=C(c3ccc(F)cc3)C2=O)cc1"]
["68797960","CC(O)=Nc1ccc(N2C(=O)CC(N(C(C)(C)C)S(=O)(=O)c3ccc(Br)cc3)C2=O)cc1"]
["183323358","CN(C#CN)C#CC=CN=[N+]=[N-]"]
["182213544","N#CC(=CN=[N+]=[N-])C1CC1"]
["182160927","CCCN(CCC)C(CN)(N(CC)CC)N(C)N=[N+]=[N-]"]
["182247352","CC(=O)/C=C\\N=[N+]=[N-]"]
["181929313","[N-]=[N+]=NC=NOCN"]
["182634521","CC1=CC(C)(C)C(C)C=C1N=[N+]=[N-]"]
["181809490","CN(C)CCCCC#CN=[N+]=[N-]"]
["184084150","CN1C=CC=C(N)C1N=[N+]=[N-]"]
["182750912","CCCCCCCCCCOc1ccc2c(C=CN=[N+]=[N-])cc(=O)oc2c1"]
["171880030","Cc1cc(C(O)C(O)CCN=[N+]=[N-])cc(C)c1C(=O)O"]
["183718540","CN(C)c1ccc(N=[N+]=[N-])cc1Br"]
["183044962","CN(C)CC1CC(N=[N+]=[N-])C1"]
["179255199","NC1=CCC([N+]2=IC2)=CC1=[C-][O-]"]
["73635421","NC1=CC([N+](=O)[O-])CC=C1F"]
["179549947","CC(C)C1=CC(CN(C)C)=C(N)C([N+](=O)[O-])C1"]
["179593336","CCC1=CC(CC=C(C)C)=CCC1"]
["179327505","NC1=CC(Cl)=CCC=C1"]
["178425162","[CH-]=C1CC=IC=C1N.[Re]"]
["183680373","[N-]=[N+]=Nc1ccc2c(c1)C(N)=CC2"]
["172262229","NC1=CC(N)(O)CC=C1O"]
["195656716","CC1=C(C)C(N)=CC=CC1"]
["187175178","Cl.NC1=CNNN1"]
["75123731","CC1=C(C)C(N)=CC=I1"]
["25830648","NC1=CCCC=C1N"]
["101182983","CP1(C)=C=P(C)(C)CCC1"]
["84143982","CC1CCCP(=O)(Cl)C1"]
["166416823","CC=P1(C)OCCCO1"]
["43360452","CP1(C)=NCCCC1"]
["62423794","CP1(=O)CCC2C1C1CCC2P1(C)=O"]
["156575860","COC1(C(=O)[C@@H]2CCC[C@@H](C)C2)CCC1"]
["32869871","[CH2-][C@]12CC[C@](OC)(CC1)c1[c]cccc12.[Li+]"]
["175112220","CP1(=CCC#N)CCCC1"]
["179839403","CC12C#CC13CCC[C@H]23"]
["170747309","CP1(=O)OC2CCCCC2O1"]
["161682644","COC12CC3(OC)CC(OC)(CC(OC)(C1)O3)O2"]
["165832694","COC1(/C(Cl)=N/O)CCCC1"]
["173695491","[B]=c1ccc2c(c1)B=C(O)B=2"]
["54126854","C1=CN2CN1C1c3cccc(c3)C3c4cccc(c4)C2N2C=CN(C2)C(c2cccc3c2)N2C=CN1C2"]
["168464696","Oc1ccccc1N=Nc1cc2c(O)c(c1)Cc1cc(N=Nc3ccccc3O)cc(c1O)Cc1cc(N=Nc3ccccc3O)cc(c1O)Cc1cc(N=Nc3ccccc3O)cc(c1O)C2"]
["113396658","Cc1nccc(-c2noc(-c3cc(O)ccc3Cl)n2)n1"]
["162654205","C[C@@](N)(CO)c1ccc(O)cc1F"]
["96558708","Cc1cc(O)c(-c2ccc(C)c(O)c2)cc1C"]
["98325983","Oc1c2ccc(C(F)(F)F)cc2c(O)n1CC(F)(F)F"]
["29606238","c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccn5)c4)cc(-c4cccc(-c5ccccn5)c4)c3)c2)nc1"]
["171416949","Oc1ccnc(Nc2cc(O)ccn2)c1"]
["97760167","Oc1c2cc(Cc3ccccc3)cc1Cc1cc(Cc3ccccc3)cc(c1O)Cc1cc(Cc3ccccc3)cc(c1O)Cc1cc(Cc3ccccc3)cc(c1O)Cc1cc(Cc3ccccc3)cc(c1O)Cc1cc(Cc3ccccc3)cc(c1O)C2"]
["69617942","Oc1ccc(Cl)c(N(O)O)c1"]
["163152620","N#CC(CN)c1ccc(O)cc1Cl"]
["100975457","CC(C)(C)C1=C(C(C)(C)C)[C@@]2(C(C)(C)C)[Si+]=[Si-]3(C(C)(C)C)C(C(C)(C)C)=C(C(C)(C)C)[C@]123"]
["21639646","C[C@H](CNCc1cccnc1)Oc1ccc(C(C)(C)C)cc1"]
["34418204","COC1SC(c2cccc(O)c2)=C(C(C)(C)C)C1(C)C"]
["94610506","CCNC(Cc1cccnc1)C(C)(CC)OCC"]
["174940816","CC(C)(Cl)S(=O)(=O)c1cccnc1"]
["161786267","CC(C)(C)c1cc(CC2(C(C)(C)C)C=CC=CC2O)ccc1O"]
["14224424","CN(C(=O)CN(C)S(=O)(=O)c1cccnc1)c1ccc(C(C)(C)C)cc1"]
["149055616","CC(C)(C)c1cncncc[nH]c1"]
["188175182","CC1=C(C(C)(C)C)N=C(C(C)(C)C)SC1"]
["86500266","Cc1cc(Oc2nc(C(C)(C)C)nc(N)c2C)ccc1Cl"]
["24823876","CC(C)(C)C1=C(C(C)(C)C)C1(Cl)Cl"]
["93436774","CC(C)(C)C1CCCCC1(N)Cc1cccnc1"]
["172356541","C[N-]C[C-]1C=C=CC=N1.[K+].[V]"]
["184922314","C.C[C-]=C1CC=C=C[C-]1Cl.[K+]"]
["165330667","CN(C)C1=CC=C=C[N-]1.[Br-].[Mg+2]"]
["99335655","C=C1CC=C=C[C-]1C.Cl.[Zn]"]
["76107669","CN(C=O)[C]1C=C=CC=N1"]
["173078930","C.C[C-]=C1CC=C=C[C-]1CC.[Co+2]"]
["100154803","CCC1=CN=CN2C=C=N[C]12"]
["46974036","C[N-]CCC(C)(C)C.[Rh]"]
["75821401","[CH2+]CC1=C=CC=N[N-]1"]
["174335783","C1=CC=N[CH-]C=1.[CH2-]C.[Cm]"]
["179743786","CC(C)(C)[C-]1C=C=CC=N1.[CH2-]C1CC1.[U+2]"]
["184425836","C[C-]1C=C=NC=N1.[CH3-].[U+2]"]
["179358290","CC/C(=C\\C[C@H](C)CF)C1C[C@@H]([C@@H]([O-])C[O-])[C@H]1[I+]CN"]
["166137097","CCC(C)N(C)C(=O)C1CC1c1ccccc1F"]
["184379339","C=C1NC(CC)/C(=C\\C(C)CN)C1(C)C"]
["139432370","CC(NCC(O)COc1ccccc1[N+](=O)[O-])C1CC2CCC1C2"]
["148753384","CC/C(=C\\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(Cc1ccc(C(=O)O)cn1)C2"]
["112444652","CCC(C)CN(CC)C1(CN)C2CC3CC(C2)CC1C3"]
["174292750","C/C=C(/CC)S/C(=N\\N)C(C)C"]
["44627594","CCC(CC)C(O)=NCC1CCCC1N"]
["54008765","CCOC(=O)C1CC1C(C)Br"]
["149903413","CCC(C)CC=C(C)SC"]
["160999872","CC1(C)SCC1NC(O)=NC(CN)C1CCCC1"]
["170611220","CC1CC1.C[C@H](C[C@@H]1CCCN=C1O)N=C(O)CN.O=CCCl"]
["97037902","CC1=C[C@@]2(C)C(=C3C(=C4SC(C)=C(C5=C(C6=C(C)SC7=C8C(=C9C=C(c%10ccccc%10)S[C@]9(C)[C@]76C)C(F)(F)C(F)(F)C8(F)F)C(F)(F)C(F)(F)C5(F)F)[C@@]42C)C(F)(F)C(F)(F)C3(F)F)S1"]
["109101149","Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C(=O)[C@@]3(C)C(c3ccccc3)=C2c2ccccc2)cc1Cl"]
["77748714","CSCC(N=C([O-])COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2)C(=O)O"]
["50487008","Cc1c(C(F)(F)F)cc(C)[n+]([O-])c1-c1ccccc1"]
["28921651","CCCOc1cc2c(cc1C(C)=C(F)C(=O)O)C(c1ccccc1)=CC(C)(C)O2"]
["96941561","C=CCCCSC1(CC=C)SC(c2ccccc2)=NC1(C)C"]
["97561328","CC1(C)CC=C[C@@]2(C)C(c3ccccc3)=CC(=O)[C@@H]12"]
["97215199","CO[C@]12SC(=c3ccc(=C4C=CC(=[N+]([O-])O)S4)s3)C(C)=C1C1=C(C3=C(C)C(c4ccccc4)=[S+][C@@]32C)C(F)(F)C(F)(F)C1(F)F"]
["99449638","Cc1ccc2c(c1-c1ccccc1-c1ccccc1)C=C(C(C)(C)C)C2"]
["196710580","Cc1c(C)c(-c2ccccc2)c(C)c(C)c1Cc1c(C)c(C)c(-c2ccc(-c3ccccc3)cc2)c(C)c1C"]
["913522","CC1(C)CN=C(O)C=C(c2ccccc2)C1"]
["183606806","CC1=NNC(C)=C(c2ccccc2)S1"]
["99643827","[B]/C=C/C=C/I1CC1"]
["175810108","CCCN1CCI(C)CC1"]
["65020026","[B]/C=C/C"]
["180764864","CCC(Cl)/C=C/I1CCC1"]
["173864396","[B]/C=C\\C=C/S"]
["175485067","[B]/C=C/C=C/C=C(\\C)CC"]
["173875146","[B]/C=C/S(C)(C)C=CC"]
["197740400","[B]/C=C\\C=[CH-].[Ce]"]
["174356532","[B]/C=C/C=C\\C(=C/C)C1(O)CC1"]
["182077822","[N-]=N[N+]#I1CCCC1"]
["190634063","[B]/C=C/C=N/NC"]
["75697318","C=C/C=C/I1CC1"]
["91636168","C1Cc2nn[se]c2-c2[se]nnc21"]
["175816876","CC1=Cc2ncc(C)nc2CC1"]
["164212382","CC(C)(C)c1ccc2c(c1)CCc1nnccc1O2"]
["176297213","O=Cc1c(C=O)c(C=O)c2[se]nnc2c1C=O"]
["170776122","CC(C)(C)C1CCc2nnccc2[C@@H]1C(C)(C)C"]
["826761","c1cc2c(nn1)CCc1nonc1-2"]
["78124868","CC1(C)Oc2c(ccc(O)c2O)-c2nn[se]c21"]
["81276022","Clc1ccc(-c2nn[se]c2C(c2ccccc2)C2CCCc3[se]nnc32)cc1"]
["167339095","Cc1nn[se]c1C(C)(C)Cl"]
["167174763","C1=C\\c2nn[se]c2CCCCCCCCCCC/1"]
["183410837","S=CC1=NCC1"]
["78558294","Cc1cccc2[se]nnc12"]
["54239999","C[B-]1O[B]O[B-]O1.[Rb+].[Rb+]"]
["175361913","CC1(C)O[B]OC1(C)C.CC1(C)O[B]OC1(C)C.[Al]"]
["200209466","CC1(C)O[B]OC1(C)C.[Ar]"]
["175179678","CC1=C(C)O[B]O1"]
["174535993","CC1(C)O[B]OC1(C)C.[Al].[CH3]"]
["196515814","C[B-]1OCC(C(C)C)O1"]
["24883820","[B]1OCCO1"]
["47334778","C[C@H]1O[B]O[C@@H]1C"]
["161410660","CC(C)(C)C1CO[B]O1"]
["58300022","CC1O[B]OC1C"]
["175646007","CC1(C)O[B]OC1(C)C.[Pu]"]
["91344957","[B]1OCPCO1"]
["76147154","[C-]1=CC=[O+]SN1"]
["79952816","C1=CC=[C-]OC[O+]=1"]
["43384387","[Re].[c-]1cnn[nH]1"]
["174775907","[Au+].[C-]1=CC=CC=CN1"]
["172735359","FC1=CC=[C-]CN1"]
["198642609","O=C1[C-]=CN1"]
["172069841","CCC.O=[C-]C1=CC=[C-]CS1.[Y]"]
["193529657","[C-]1=CCCN1.[K+]"]
["78079468","CC1[CH]C2=CC=[C-]CC2C1.[Li+]"]
["74533642","Cl[C+]1C=[C-]NC1"]
["175383298","[B+]=C1[C-]=CC=[C-]C1.[Br-].[Mg+2]"]
["185487126","[C-]1=CC=CC=CC1.[Cr]"]
["156255924","BC1(C(C)C)CCCCCCCC1BN1CCP(BC2CCCCC(C)(S)CC2)CC1"]
["158710226","CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@]3(CN=C(O)C3)C2)C1"]
["113724311","CC1(C(CC2CCCCC2)NN)CCCCC1"]
["160350164","CC1(C)CCCCC1N=C(O)N1CCC2(CN=C(O)C2)C1"]
["150317500","CC(C)CC1CN2CCCN3CCCCCC132"]
["156553757","CC1([C@@H](N)C2CCCCCC2)CC1"]
["78351148","C/C(=C\\C1(C(C)CO)CCCCC1C(C)CO)C(=O)O"]
["160035648","CN1CCC(N(C)C(=O)C2(C)CCCCCC2)CC1"]
["46922803","CC(C)NC(CO)(CN1CCC(C)(C)CC1)C1CC1"]
["112165285","CCC1(CNC(C)C2CCCN(C)C2)CC1"]
["18283913","CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1"]
["122667508","Cc1nn(C(C)(C)C)cc1C(C)N=C(O)N(C)CC1CCCC1"]
["42188615","[Ir].[O-]C12c3[c-]c(ccc3)C3(O)C4=[C+]N(CC=C4)C(O)(c4[c-]c1ccc4)c1[c-]c(ccc1)C(O)(c1cccc3n1)c1cccc2n1"]
["27317232","CC1(C)C(=O)N(C(=O)O)c2cc(N=c3nc4cccc(C(=O)C5CCOCC5)n4[nH]3)ccc21"]
["29132932","OC1(c2ccccc2)CCN(c2cccc3cccnc23)[C@@H]2CCCC[C@@H]21"]
["93406248","COc1cccc(CC2(C)CCC(O)=N2)c1OC(F)F"]
["185967046","CSC1=NC=C2C(=O)N3C/C=C\\CCC(C)(O)c4cccc(n4)N3C2N1"]
["MCULE-5823008218","Cc1cccc(C)c1-n1cc(C=NO)c(CC2CC2)n1"]
["155300541","CN(C)S(=O)(=O)c1cccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12"]
["188073529","COc1cc(Br)cn2cc(C3(F)CC3)nc12"]
["200277163","O=CC1(F)CCC(n2cc(F)c(O)nc2=O)O1"]
["173702055","CCc1cccc(C2(O)CCC2)n1"]
["16276245","N=C(S)N1N=C(c2ccccc2)C[C@@]1(O)c1ccccc1"]
["164729720","O=C(OC1OCC(n2cc(Br)c(O)nc2=O)CO1)c1ccccc1"]
["168453862","C#C[C+]=C=C=C=[Si-]"]
["79097237","CC[C+]=C=[As-]"]
["172555638","C#C[C+]=C[O-].[Bi].[Sn]"]
["91079998","C#C[C+]=C=CC#C"]
["194303136","C#C[B-](OC)(OC)OC.[Na+]"]
["174380879","C#CC(C)(C)ON=C.Cl"]
["91648317","C#CC(C#C)=C1C(=C(C#C)C#C)C(=C(C#C)C#C)C1=C(C#C)C#C"]
["99457835","C#CN[Si]"]
["91034702","CC[Ge]([C+]=C=[Si-])(CC)CC"]
["195448967","C#CC(F)(F)C1(C[NH3+])N=N1"]
["96547927","P#C[C+]=C=C=C=C=C=C=C=[P-]"]
["83057527","[Si-]=C=[C+]C1CO1"]
["170185253","C=NN1CCN(COCC=N)CC1"]
["197156763","C=CCOCn1ncc(N)n1"]
["62550752","OOOCN1CCCC1"]
["81535600","CC=NN1CCN(Cc2ccc(-c3ccccc3)s2)CC1"]
["196807651","C.CC(C)(C)OCN1CCN(COC(C)(C)C)CC1"]
["174930848","CC/C=C(\\CN1CCN(CC)CC1)OC"]
["52998264","ClC(/C=N\\N1CCN(Cc2ccc(Cl)cc2)CC1)=C\\c1ccccc1"]
["172823513","C=C[Si](C)(CN1CCCC1)CN1CCCC1"]
["16681536","Clc1ccccc1CN1CCN(/N=C\\c2cc[nH+]cc2)CC1"]
["178820099","I[I-]/C=N\\N1CCN(I)CC1"]
["172855556","C=CCN1CCN(CC(O)=Nc2cc(Br)cc(Br)c2)CC1"]
["66578765","CCOC(O)=N/N=C\\CCN1CC1"]
["178305013","C#[P+]CC[NH2+]CCPC"]
["53184015","CCNCPC"]
["21571378","CC(C)[PH+](CC[NH2+]CC[PH+](C(C)C)C(C)C)C(C)C"]
["25855304","CPCCO"]
["48953255","CC[NH2+]CC.[B-]"]
["55069809","C#CCCOCPC"]
["78574190","COCCPC"]
["176677475","CPCCCP"]
["185522066","CPCCC=O"]
["53672260","CCC.CC[NH2+]CC"]
["25097789","CPCCCC(=O)O"]
["98448049","CC.CCCPC"]
["84195930","N1[Si+]N[Si-]N[Si-]N[Si+]1"]
["83057046","N1[Si+][O+]=[Si-]N[Si-]1"]
["56536184","CC(C)N1[Si](C(C)C)N[Si-]N[Si+]N[Si]1(C(C)C)C(C)C"]
["67618181","CN[Si]1N[Si+]N[Si-]N1"]
["51236983","N1[Si]N[Si-]N[Si+]1"]
["48009053","CN1[Si](C)N[Si-]N[Si+]N[Si]1(C)C"]
["83056773","N1[Si+][O+]=[Si-]N[Si-]=[O+][Si-]1"]
["158366668","Cc1cccc(C)c1C(c1ccc(Cl)[nH]1)c1ccc(Cl)[nH]1"]
["42695874","C[Si]1N[Si+]N[Si-]N1"]
["57086720","CN1[Si](C)(C)N[Si+]N[Si-]N[Si](C)(C)N(C)[Si](C)(C)N(C)[Si]1(C)C"]
["68287931","C[Si]1(C)N[Si+]N[Si-]N1"]
["62708283","C[Si]1(C)N[Si]N[Si-]N[Si+]N1"]
["302134","CC12C[N+](C)(C)CC34c5c6cc7c8c9c6c6c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c(c%20c%21c%22c%23c%24c%25c%26c(c%11c(c56)C%26C35C=%24CC%225C%2014)c%13c1c%25c%23c3c%21c%19c%16c3c%141)C(C%18=C8C13C[N+](C)(C)CC%171[C]%15C=%12C%10C93)C72"]
["154046518","C[N+]1(CCOCCOCCN)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c%25c%26c(c%23c%23c2c2c4c4c(c5c7%11)c%12c5c%14c(c%15%19)c7c%20c(c%22%23)c2c7c45)[C@]3(C1)C=6[C@H]%26[C@H]8c1c-9c(c-%17c(c1-%25)[C@@H]%24[C@H]%18%21)[C@H]%16[C@H]%10%13"]
["154047081","CO[C@H]1CC(=O)C[C@]23C4=C5Cc6c7c5c5c8c9c%10c%11c%12c(c2c2c%13c%14c%15c%16c%17c%18c%19c%20c(c6c6c%20c%20c%18c%18c%21c%17c%14c%14c(c%12%13)c%11c%11c9c9c%12c8c7c6c%12c%20c%18c9c%11c%14%21)=C6C[C@@]13[C@@H]([C@H]2%15)[C@@]61CC(=O)C[C@@H](OC)[C@]%16%191)[C@H]4[C@@H]5%10"]
["154043699","C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@@H]%18[C@H]2c4c6c8c%10c(c4-%17)[C@H]%16[C@@H]%13[C@@]%114C[N+](C)(C)C[C@]%104C=9[C@@H]8[C@@H]7C5=C6[C@]23C1"]
["154016661","CC[N+]1(CC)C[C@@]23C4=C5C6=C7[C@@H]2c2c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c%20c%20c%25c%26c%27c(c2[C@H]%26[C@@H]3[C@H](C4=C%23[C@H]2[C@@H]5C(=C%14[C@](C1)([C@H]%222)[C@@H]%15[C@@H]%21%18)[C@]61C[N+](C)(C)C[C@@]%131[C@@H]%11[C@@H]78)[C@@H]%24%25)c9c1c%10c(c%12%16)c%17c2c%19c%20c%27c12"]
["154101535","C[C@@H]1[C@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C/C/C=5)C7)[C@H]%10[C@@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151"]
["172049386","CC[N+]1(CC)CC23C4=C5C6C7=C8C9=C%10c%11c(c%12c%13c%14c%15c%16c%17c%18c%19c%20c%16c%13c%11C%20C9C9C%19C%11=C%13C%16=C%19c%20c%21c%22c%23c%24c(c4c4c%23c%20C%20C%16C(=C7C57C[N+](C)(C)CC4%207)C%13C89C1)C2C%12C%14=C%24C%22C=%15C%17=C%21C%19C=%18%11)C3C%106"]
["154103397","COCCOCCOCCN1C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c%13c%14c(c2c2c%15c%16c%17c%18c%19c(c5c5c%20c%21c%22c%23c(c8[C@H]%22[C@H]65)c%10c5c%11c6c%13c8c(c%15%14)c%16c%10c%18c%11c(c%20%19)c%21c%13c%23c5c5c%13c%11c%10c8c65)[C@H]%17[C@H]42)[C@H]%12[C@H]9[C@@]73C1"]
["154332227","C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@@H]%18[C@@H]2c4c6c8c%10c(c4-%17)[C@@H]%16[C@@H]%13[C@@]%114C[N+](C)(C)C[C@@]%104C=9[C@@H]8[C@H]7C5=C6[C@]23C1"]
["154041723","C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c(c%16%20)c%15c9c%13c%10c6c9c24)[C@H]%19[C@H]2c4c6c9c%10c(c4-%18)[C@@H]%17[C@H]%14C%12=C%10[C@]4(C[N+](C)(C)C[C@@]8%114)[C@@H]9[C@H]7C5=C6[C@]23C1"]
["154044082","C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c2c2c4c4c6c9c%12c4c4c2c%22c(c%15c%17%21)c%134)[C@@H]%20[C@@H]2c4c6c9c%12c(c4-%19)[C@H]%18[C@@H]4C%13=C%12C(=C8[C@@]%108C[N+](C)(C)C[C@]%138[C@H](C=%164)[C@@H]%11%14)[C@H]9[C@@H]7C5=C6[C@]23C1"]
["154041719","C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c(c%16%20)c%15c9c%13c%10c6c9c24)[C@H]%19[C@H]2c4c6c9c%10c(c4-%18)[C@@H]%17[C@H]%14C%12=C%10[C@]4(C[N+](C)(C)C[C@@]8%114)[C@@H]9[C@H]7C5=C6[C@]23C1"]
["178089485","C1=C=C(c2ccc(N3C=CC4=c5c6c(n(C7C=C8CCC9=C(NCCC9)C8=NC7)c5=CC5CC=CC3=C45)CCC=C6)cn2)N=CC=1"]
["165267110","C1=Cc2c(n(-c3ccc(-n4c5ccccc5c5ccccc54)cc3-c3cccc(C4=CC(c5ccccc5)=NC(c5ccccc5)C4)c3)c3ccccc23)CC1"]
["175675011","Oc1c(C2=Cc3c(c4c(c5ccccc35)C=CCC4)CC2)cccc1C1C=c2c(c3ccccc3c3ccccc23)=CC1"]
["179644186","C1=Cc2c3c(n(C4C=CC(c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)=CC4)c2CC1)CCC=C3"]
["179023272","CC(C)(c1ccc(N2c3cccnc3C3C=CC=CC32)cc1)c1ccc(C(C)(C)c2ccc(-n3c4c(c5ncccc53)C=CCC4)cc2)cc1"]
["176297868","Cc1n[nH]c(=N[C@H](C)c2cccc(C(F)F)c2F)c2cc(-c3ccc(F)c(CN4CCC(c5ccc(N6C=CCNC6)cc5)CC4)c3)ncc12"]
["182775184","CN(C)c1cccc(-n2nc(N=[N+]=[N-])c3c2CCC=C3)c1"]
["198913274","O=S1(=O)c2cccc(c2)C(O)=NCC(c2ccc3ccccc3c2)N=C(O)C2(C/C=C\\CN1c1ccc(Cl)cc1)CCCC2"]
["179109340","C1=Cc2c(n(C3=CC=C(c4ccc(C5C=C(c6cnc7c8ccccc8c8ccccc8c7n6)C=CC5)cc4)CC3)c3ccccc23)CC1"]
["182919493","C1=Cc2c(-c3ccsc3)nn(-c3ccccn3)c2CC1"]
["24651447","Cc1cnc2cc(C3CCN(Cc4ccc5c(c4)CC(C)O5)CC3)nc-2[nH]1"]
["73904718","COCCO[C@]1(C(=O)c2nc[nH]n2)CC[C@H](c2cc(N)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1"]
["78055903","CCO[SiH2]OC(C)(CCCS)C(CC)(CO[SiH2]OC(C)(CCCSC(C)=O)C(CC)(COC(C)=O)C(C)(OCC)O[SiH2]CCCSC(C)=O)COC(C)=O"]
["MCULE-2696689677","COc1cc(C)c(CCCCSC(C)=O)cc1C"]
["91293289","CCC(C)(C=O)COC(C)=O"]
["157328818","CC(=O)O.CCO[SiH2]CCCC(O)C(O)CO"]
["99547067","CN=C(CN(C(=O)CCCS)C(C)(C)C)OCCC(C)=O"]
["159044340","CCCCCCCCCCCCCCCCC(OC(C)=O)C(C)(C)COC(C)=O"]
["91091779","CCOC(=O)C(C)(CCCN=[N+]=[N-])C(C)=O"]
["59231219","CCCCCC[C@@](C)(S)C(=O)OCC"]
["61706434","CCOC(=O)C(C)(C)Oc1cc(C2CCCNC2)ccc1C.O=C(O)[C@H](O)[C@@H](O)C(=O)O"]
["45466227","CCC(C)(CO)COC(C)=O"]
["139771584","CSCCCOC(=O)C=Cc1cncc(C)c1"]
["98636386","C=CCCN(CCSC(C)=O)C(O)=N[C@@H](C)C(=O)OC(C)(C)C"]
["180158408","CC(=O)O/N=C(/CC(C)N(OC(C)=O)C(C)=O)c1ccc2sc3ccc(/C(=N\\OC(C)=O)C(C)C(C)N(OC(C)=O)C(C)=O)cc3c(=O)c2c1"]
["MCULE-4248356565","COc1ccc(Cl)cc1S(=O)(=O)N(C(=O)CC(C)C)c1ccc(F)c(Cl)c1"]
["MCULE-9782799039","Cc1cc(NC(=O)c2ccc3c(c2)CCO3)cc(-c2ccc(OCC(C)C)cc2)c1"]
["55696626","CCOC(=O)N1CCN(C(O)=Nc2ccc3sc4nc5ccccc5nc4c3c2)CC1"]
["49722824","CC(CN(C)C(=O)c1sc2cc(F)ccc2c1Cl)C(=O)O"]
["125995476","CC#CCOC(=O)c1ccc(OC)c(OC(F)F)c1"]
["MCULE-3411240794","CC(O)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)C1c1c(F)cccc1Cl"]
["34156299","CC1NCCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)sc21"]
["133669671","COCCCCC(O)=Nc1cc(C(=O)N(C)C(C)C)ccc1Cl"]
["113314102","CCN(C(O)=NCc1ccno1)C(C)CC(=O)O"]
["8743608","CC[C@@H](C)Oc1ccc(N=C(O)C(=O)N[C@@H](C)c2ccc(C)s2)cc1"]
["48441182","COc1ccccc1C1=CC([C@@H](CC(=O)O)C(=O)O)=C/C(=C2/Nc3ccc(C(N)=[NH2+])cc3N2)C1=O"]
["175833526","C#Cc1cnccc1C1C=CC(C(=N)O)=C(C2(N3C=C4C=CC=C4C3)C(N3C=C4C=CC=C4C3)(N3C=C4C=CC=C4C3)N(N3C=C4C=CC=C4C3)CC(F)(F)C2(N2C=C3C=CC=C3C2)N2C=C3C=CC=C3C2)C1(F)Cl"]
["145550854","CC1=CC(C#N)=CN(c2ccc(F)c(C3(C)CS4(=O)=NCCCC4(C)C(=N)N3)n2)C1C(=N)O"]
["MCULE-4224934212","N#Cc1cccc(-c2ccccc2C(=N)O)c1NC(=O)C1CC(F)(F)C1"]
["33461397","Cc1nc(C)c(-c2ccc([C@]34CC[C@](Cc5nn[nH]n5)(CC3)CC4)cc2)nc1C(=N)O"]
["23418733","O=C(c1ccccc1)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)C2C=Cc3ccccc3N21"]
["74798902","C#Cc1ccc(C(=O)Nc2ccnc([C@]3(C)C[C@@H](C)SC(=N)N3)c2)nc1"]
["165623886","CC(O)CN1CCC(CN(C)c2ccncc2C(=N)O)CC1"]
["MCULE-2255057178","O=C(O)C(F)(F)F.O=C1N(c2cccnc2)CCC12CCN(Cc1ccc(F)cc1)C2"]
["172771320","BrC1NCc2cnccc21"]
["MCULE-3852147595","OC(=NCC1CC1c1ccncc1Cl)OCC1c2ccccc2-c2ccccc21"]
["MCULE-7708775977","Nc1c(Cl)nn(-c2cnccc2C2CC2)c1C(F)(F)F"]
["164208574","CCc1nnc([C@]23CCC[C@H]2CN(c2ccncc2C#N)C3)o1"]
["179225168","c1cc2nn(-c3ccc4nn(-n5ccc6[nH+]nnc-6c5)nc4[nH+]3)cc2n[nH+]1"]
["178427969","Cn1cc2c(I)cc[nH+]c2n1"]
["171543818","c1ccc(C(c2ccccn2)(c2ccccn2)n2ccnc2)nc1"]
["22760091","Oc1c(I)cc(I)cc1C=Nn1c(S)nnc1-c1ccccn1"]
["167266050","F[B-](F)(F)F.c1ccc(-c2cc[nH+]nn2)cc1"]
["147716840","c1ccc(-c2cn(-c3ccccc3)n[nH+]2)cc1"]
["179052135","C1=C(n2cc3ncccc3n2)CC1"]
["174381043","On1ccc2n[nH+]cc-2c1"]
["50610249","c1cnc(-n2cc3ncccc3n2)nc1"]
["145663624","CCn1cnn(CC)c1=NN=C1C=CC(=[NH+]CCCC[NH+]=C2C=CC(=NN=c3n(CC)cnn3CC)C=C2)C=C1"]
["145550362","CC(C)(COc1ccc2nn(-c3cccnc3)cc2n1)S(C)(=O)=O"]
["4296705","CCOC(=O)CN=C(O)CSc1nnc(Cc2cccn2C)n1-c1ccc(OC)cc1"]
["184494296","INC1=NC2(c3ccccc3CC23CCCCCC3)c2sccc21"]
["188193240","C1=C2C(=CC3c4ccccc4C4(CCCCC4)C13)C1(CCCCC1)C1=C2CCC=C1c1nc(-c2ccccc2)nc(-c2ccccc2)n1"]
["117758567","CN=C(NCc1sccc1C)NCC1(N2CCOCC2)CCCCC1.I"]
["64565291","N=c1cc(N2C(=O)C3(CCCC3)c3ccccc32)cc[nH]1"]
["70413726","CC(=O)N1CCCC(C(=O)N2CCC3(CCc4ccccc43)CC2)C1"]
["166300030","Cn1cc(Br)cc1C(=O)NN=C(O)C1(c2ccccc2)CCC1"]
["45896839","CN(C)C1(c2ccccc2F)CCC(=O)CC1"]
["153127772","O[C@@]1(c2ccc(Cl)cc2)c2ccccc2C2=Nc3ccccc3CN21"]
["121370091","N=C(O)C1CCCN(C(=O)C2CC23CCCc2ccccc23)C1"]
["154072524","O=C(CC1=NC2(CCCC2)Cc2ccccc21)C(=O)N/N=C/c1ccccc1O"]
["176576949","C=C1CCC=CC2(c3ccccc3Cc3ccc(N)cc32)c2ccccc21"]
["120455371","Cc1cc(F)ccc1CC1(N)CCCc2ccccc21"]
["165008552","CN1CCS(C)=C2C(=O)C(C=N/C(C#[NH+])=C(\\C#[NH+])N=CC3=CC4=C5C(=S(C)C=CN5C=C[S+]4C)C3=O)=CC=C21"]
["189190942","COc1c([C@H]2[C@H](C(O)=Nc3ccnc(C(=O)N4CC5CC(C4)N5C)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F"]
["14225664","Cc1cccc(N2C[C@H](C(O)=Nc3ccc(C#N)c(Cl)c3)CC2=O)c1C"]
["106627241","Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2"]
["98263640","CC=C(N=Cc1cccc(F)c1OCC1CCC(C2CCC(CC(F)(F)F)CC2)CC1C1CC1)n1ncc(C(=O)CCC)c1C(F)(F)F"]
["58279506","C[C@H](C(O)=Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2C#[NH+])CC1"]
["87140296","CC1CC(n2cc(C#N)c(O)nc2=O)CCN1C"]
["170640144","CC1=C2C(=CC(=O)C1=O)N(C)CCCN2C"]
["5483287","CC(O)=Nc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1"]
["167065347","CCN1C(=O)C[C@H](C(O)=NCCCn2ccnc2)[C@H]1c1nccn1CC"]
["174430298","[B+]=c1cc(O)c2c(c1O)C(=O)c1c(c3c(c4c1N(CC[N+](C)(C)O)CCC4)CCCN3CC[N+](C)(C)O)C=2[O-]"]
["165008547","CS1=C2C(=O)C(C=O)=CC3=C2N(C=C1)C=C[S+]3C"]
["199346232","CC(C)[PH+](c1ccccc1B1c2ccccc2[B-](c2ccccc2[PH+](C(C)C)C(C)C)c2ccccc21)C(C)C.[Au+].c1ccccc1"]
["32499391","C/C(=C\\Cc1ccccc1)C(C)O"]
["67839809","CC(C[Si](C)O)c1ccccc1"]
["142949162","COCC(C)N(C)C(O)=NCc1ccccc1OCCN(C)C"]
["101580705","CC(C)/C=c1/[nH]/c(=C\\c2ccccc2)c(=O)n(O)c1=O"]
["MCULE-6806120072","CC(C)CN(C(=O)c1ccc(Cl)cc1F)C(C)CCc1ccccc1"]
["67720408","CC(N=C(O)[C@H]1Cc2ccccc2CN1)c1ccccc1"]
["74729775","CC(C(O)=Nc1ccccc1Cl)[N+](=O)[O-]"]
["191236743","CC(O)=N[C@H]1CC2(CCN(CCC(C)C)CC2)c2ccccc21.[HH]"]
["98449979","CC.CC(Br)c1nc(O)c2ccccc2n1"]
["133398129","COCC(C)N(C)CCCc1ccccc1OC"]
["55652040","CC1CN(C(O)=NCc2ccccc2S(=O)(=O)N(C)C)CC(C)O1"]
["173219387","C1=CC2=C3Nc4[nH]c(c5ccccc45)NC4=C5N=NN=NN5N(N4)Nn4[nH]n(n5[nH][nH][nH][nH]n45)NN(N3)N2C=C1"]
["188861722","C=C1N(C)c2ccccc2N1c1cccc2c1C=CNC2"]
["100949592","CC(O)=N[C@H](C(=O)N1NC(c2ccc(C)cc2)=NC(=O)[C@H]1c1c(C)[nH]c2ccccc12)C(C)C"]
["2836684","CC(O)=NCCN=c1[nH]c2c(S(=O)(=O)c3ccc(C(C)C)cc3)nnn2c2ccccc12"]
["101728851","[Ag+].c1ccc2c3[n-]c(c2c1)Nc1[n-]c(c2ccccc12)Nc1[nH]c(c2ccccc12)Nc1[nH]c(c2ccccc12)N3"]
["191557445","CC[C@@]12C=C(C3=NSC(=O)C3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42"]
["99322680","Fc1ccc2c(c1)/C1=N/c3[nH]c(c4ccccc34)NC3=NC(F)(/N=C4\\N=C(c5ccc(F)cc54)N(F)C2=N1)c1ccccc13"]
["171966108","c1ccc2c(c1)C1=NC2Nc2[nH]c(c3ccccc23)NC2N=C(Nc3[nH]c(c4ccccc34)N1)c1ccccc12"]
["171976157","C1=C[C-]=C2Oc3ccccc3C2C=1c1ccc2ccccc2n1.CN1C=CC=CC1=C1N=NC(C(C)(C)C)=N1.[Ir]"]
["120722726","Cc1[nH]c2ccccc2c1NCC1(CO)COC1"]
["46226599","CCOC(=O)C1=C(C)N=C2N=C(SCc3ccccc3Cl)NN2C1c1ccc(OCc2cc(C)c(C)cc2C)c(OCC)c1"]
["191733168","CC(C)n1c(-c2ccn(C)n2)nn2c(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)cnc2c1=O"]
["170217622","O=C1N2C[C-]=C(c3cnoc3)C(C2)N1OC(F)(F)C(=O)[O+]=[S+]([O-])(O)ON1C(=O)N2CC=C(c3cnoc3)C1C2.[Li+]"]
["139149180","CSCCOC(=O)C1CC(=O)N(CC(F)(F)F)C1"]
["62284476","Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCC(c2nnc3ccccn23)CC1"]
["32595938","COC(O)=Nc1ccc2c(c1)N=C(O)C/C=C/C[C@H](N1CCC(c3cc(Cl)ccc3OC(F)F)OC1=O)c1ncc-2[nH]1.O=C(O)C(F)(F)F"]
["2989876","O=C(Oc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(CC(F)(F)F)C1"]
["CSSS14948282385","Cc1ncsc1-c1ccc([C@H](C)N=C(O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N=C(O)COCC2CNC2)C(C)(C)C)cc1.O=C(O)C(F)(F)F"]
["174252088","C[C@@H](N=c1[nH]nc([C@@H]2C[C@H]2C(F)(F)F)o1)C(=O)N1CCC2(CC1)CC2"]
["100749096","CCOC(=O)C(C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(N=C(O)OC(C)(C)C(F)(F)F)ccc2O1"]
["67107594","CCn1cc(-c2cc(C(F)(F)F)nc(N3CCC[C@H](C(=O)O)C3)n2)cn1"]
["172759378","C[C@@H](CO)N1C(c2ccc(Cl)cc2)=CCC(=O)N1c1cnoc1"]
["MCULE-5693198416","COC1CN(C(=O)c2ncc(C)cc2-c2cnc(N3CCOCC3)nc2)C1"]
["83805272","Cc1cccc(OCC(=O)N2c3ccccc3N=C(O)CC2C)c1"]
["33166425","CC1=C2C3=C4[C@@](C)(C(=O)[C@@]2(O)OC1=O)[C@@H]1C[C@@H]1[C@@]4(O)CC1[C@]32OC(=O)C3=C2CC2[C@]1(C)[C@@H]1C[C@@H]1[C@@]2(O)COC(=O)/C(C)=C\\OC(=O)CCC(=O)OC3"]
["98069335","C[C@]12CC[C@]3(CO3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O"]
["48931600","CC[C@@]1(O)C(=O)OCC2=C1CC1=C(C2=O)N2Cc3c(cccc3CC[Si](C)(C)CSC3=NCCS3)C=C2N1"]
["82323369","CC1=C[N+](C2CC(O)C(CO)O2)(C2OC3(CO)COC2C3O)C(=O)N=C1O"]
["102826051","C=C1C[C@@H]2[C@@](C)([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3C(C)(C)C(=O)C[C@H](O)[C@@]23C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]12C"]
["81342803","CCC(=O)CC1C(C)(C(OC(C)=O)c2ccoc2)C(OC(C)=O)C(OC(C)=O)C23OC(=O)OC12C(O)C1(O)C(O)C2(C)CC1(O)C31COC(=O)CC21"]
["150357947","Cc1[nH]nc2c1C(C(O)=NC1CC3CCC4N(C)C34C1)=CC(=C1C=CC(=O)C(F)=C1)N2"]
["192935306","Cc1ccc([C@@H]2C=C3C[C@@H](O)CC[C@]3(C)C3[C@@H]2[C@@H]2CCC4(CCC(=O)O4)[C@@]2(C)C[C@H]3O)o1.Cc1ccc([C@@H]2CC3=CC(=O)CC[C@]3(C)C3[C@@H]2[C@@H]2CCC4(CCC(=O)O4)[C@@]2(C)C[C@H]3O)o1"]
["90783872","CC(C)C1(O)C(=O)C23OC2CC2C4=C(CCC2(C)C32OC2C1O)C(=O)OC4"]
["188640845","C=C1C2CC2C2(C)C1C(OC(C)=O)C1=C(C)C(=O)OC13C1=C4C(C)(CC(=O)/C1=C(\\C)C(=O)OC)C1CC1C4(O)CC32"]
["188629536","C/C1=C\\[C@]23O[C@]2(CC(C)(C)C3=O)C(C)CC[C@@H]1O"]
["96757624","C=C(C(=O)OCC)[C@@H]1CC[C@@](C)(O)C(=O)CC/C(C)=C/C/C=C(\\C)[C@@H](O)C1"]
["96873087","OC1=C(Br)C23CCNc4c(O)c5c6c(c42)=[N+](CCC=6C(Br)=N5)C(C1)C3O"]
["169983061","Nc1c2c(nn1C(=O)[C@H]1CCNc3c1cccc3C(F)(F)F)CC(N)CC2"]
["155943967","Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1"]
["177191808","COC1C(O)=Nc2ccc(C=C3CC(C)CC3(C)C)c(O)c2C1(O)c1ccccc1"]
["179772822","CC[C@@]1(CCC2=CCC(C)C=C2Br)N=C(O)N(N)C1=O"]
["172237008","Br.O=C1CCC[C@@]2(CO)[C@H]3CC4=C(C=CCC4)[C@@]12CCN3"]
["75721833","COC1=C2[C@H]3NCC[C@@]2(c2c(ccc(OC)c2O)[C@H]3O)[C@H](C)[C@H](O)[C@@H]1O"]
["171257935","Cl.N[C@@H](c1cc(Br)c(F)c(F)c1O)C1CCCCC1"]
["156003373","CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](C[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@]2(C)[C@@]12CO2"]
["34272466","N=C1NCCCCCCCN=C(O)N1"]
["CNP0512795.0","CC1N=C(O)C(N)CN=C(O)C(C2CCNC(=N)N2)N=C(O)C(=CNC(=N)O)N=C(O)C(C)N=C1O"]
["162185557","OC1=Nc2c(F)ccc(Br)c2C12CC2"]
["32481218","O=C1CCC2=C1CCCCCCCC1=C(SCCCCCS2)C(=O)CC1"]
["87909524","Cc1cc(N)cc2c1SCCCC2"]
["155695203","O=C1C[C@@H](C(Br)(Br)CBr)Oc2c1ccc1c2CCCC1"]
["8964200","Cc1c(Cl)cccc1/N=C1\\SCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1"]
["32854389","O=C1/C=C/CCCCCCCCCC1"]
["191490778","O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C1CC2=C(CCC2)C(O)=C1O"]
["158986635","O=C1CCCCCC1.O=C1CCCCCC1"]
["99361504","O=C1CC2=C(CCC3=C2CCC3)N1[O-]"]
["170682560","Cc1ccc(/C=C2\\OC(=O)C3=C2CCCC3)cc1"]
["4618113","N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@H]1c1c(F)c(F)c(F)c(F)c1F"]
["68352794","CC1CCCCCCCC(=O)CCCCCCC1"]
["45019993","CCC1(CC)CC2=C(CCCC2)c2nc3n(c(=O)c21)CCS3"]
["195943625","IC1CC2CC(C1)N1C=C(CN3CC4=CN(NN4)N4C=C(CN(CC5=CN2NN5)CC2=CN(NN2)N2C=C(C3)NN2)NN4)NN1"]
["539135","Clc1nnc(N2CC3CC2CN3)c2ccccc12"]
["452063","C[C@H](N)C(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)O"]
["179620941","CC1=CC(Cl)=NCC1Cl"]
["175929906","c1ccc2c(-c3cnc(N4CCCN(C5COC5)CC4)nc3)n[nH]c2c1"]
["108169669","CS(=O)(=O)N[C@@H]1CC(OC2CC2)=CC=C1I"]
["33638652","Clc1ccc(CN2[C@H]3CC[C@@H]2CC3)cn1"]
["160619561","COCc1c(C(=O)N2C3COCC2C3)oc2ccccc12"]
["178625142","CCC1=CN(C2CCN(C3COC3)CC2)NN1"]
["MCULE-9960798649","Cn1cc(C2NCCN(C(=O)c3ccc(Cl)nc3)C2=O)c2ccccc21"]
["MCULE-6383122308","O=C(O)c1cc(C2CC2)n(C2CC2)c1-c1ccc(Br)cc1"]
["103279940","Cc1cc(-c2[nH]c3ccc(Cl)cc3c2CCN)ccc1F"]
["110892569","Fc1c(F)c(F)c([B-](=C2C=C3CCCCC3=C2CCC2=C3CCCCC3C=C2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["17895837","O=C1c2ccccc2C(=O)N1CCc1ccc(NS(=O)(=O)C2CCCC2)cc1"]
["185578575","NC1(Cc2cccc3[nH]ccc23)N=CC=C(Nc2cc([C@@H]3C[C@H]3c3ccccc3)[nH]n2)N1"]
["167298726","C[C@@H]1C=CCC(C=O)=C2CCCC[C@@H]21"]
["174450564","C=C1CCCC2C=C3CCCCC3C=C12"]
["56680609","N=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)NN(O)O"]
["106095374","CCCOc1c(C[C@H]2CCCCC2=O)cccc1OC"]
["5102868","C[C@H](N=C(O)CCC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)c1ccc(S(C)(=O)=O)cc1"]
["6226462","N[C@@H]1NN=C(SCC2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)S1"]
["MCULE-4098912179","CS(=O)(=O)c1ccc(-c2ccc(CCC(=O)N3CCN(C4CCCC4)CC3)c(F)c2)cc1"]
["81417033","N#Cc1ccc(F)c(CSC2=NC(=O)C(C#N)C3=C2CCCC3)c1"]
["118760713","CN=C(NCCc1ccc(F)cc1F)NC1CCN(C2CCCC2)CC1.I"]
["101140226","Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4nc5c6c([F+])c(F)c(F)c(F)c6c6c5n([n+]34)[B-]1(Cl)N2N=6"]
["161883672","Fc1c(F)c(F)c(-c2ncno2)c(F)c1F"]
["101140227","O=[N+](O)c1ccc2c(c1)C1=Nc3c4ccc([N+](=O)O)cc4c4nc5c6ccc([N+](=O)O)cc6c6c5n([n+]34)[B-]1(Cl)N2N=6"]
["187652924","Cc1c(F)c(F)c(F)c(F)c1-n1c2c(F)c(F)c(F)c(F)c2n2c3c(F)c(F)c(F)c(F)c3nc12"]
["26947392","Fc1ccc(Nc2cc3c(c(Nc4ccc(F)cc4)c2Nc2ccc(F)cc2)-c2nc-3nc3nc(nc4nc([nH]c5c6c(Nc7ccc(F)cc7)c(Nc7ccc(F)cc7)c(Nc7ccc(F)cc7)c(Nc7ccc(F)cc7)c6c(n2)n5Nc2ccc(F)cc2)-c2c(F)c(F)c(F)c(F)c2-4)-c2c(F)c(F)c(F)c(F)c2-3)cc1"]
["MCULE-7817621026","COc1c2c(nc3c(-c4c(F)c(F)c(F)c(F)c4F)c(C)nn13)CCCC2"]
["33187281","CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(N(C(C)C)C(C)C)c12"]
["97191149","Fc1c(F)c(F)c2c(c1F)[C](C(F)(F)C(F)(F)C(F)(F)F)[N-]N2B(n1nc(C(F)(F)C(F)(F)C(F)(F)F)c2c(F)c(F)c(F)c(F)c21)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c2c(F)c(F)c(F)c(F)c21"]
["195138443","CSc1c(F)c(F)c2n[nH]cc2c1-c1ccn2[nH]c(=N)cc2c1"]
["197810336","CSc1nc(Cl)c2c(n1)c(F)c(Cl)n1ccnc21"]
["32297472","Fc1c(F)c(F)c(-c2c3cc(Br)ccc3nc3c(F)c(F)c(F)c(F)c23)c(F)c1F"]
["75653471","Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c3c2Nc2c(F)c(F)c(F)c(F)c2N3F)c(F)c1F"]
["171628780","C=CC(=N)/C=C\\N=COCC(O)C[n+]1c[nH+]ccc1C=C"]
["19379151","CCN(CC)c1ncccc1CN=C(O)[C@H](C)n1c[nH+]cn1"]
["176548983","C=CC(=N)O.Cc1cc(OCC(C)C)ncc1N1C(O)=Nc2c(C(O)=NC3CCCC3)sc3nccc1c23"]
["91305582","C=CCCC(O)CC(=O)c1ccccc1"]
["34458982","C=CC[C@@H](O)[C@H](COCOCc1ccc(OC)cc1)[C@H](CC=C)O[Si](C(C)C)(C(C)C)C(C)C"]
["58999854","COCC(O)CNc1cccc(Cl)c1C#N"]
["199822997","C=C/C(=C\\C=C\\C(=O)OCC(C)O)C(c1ccc(C(=O)OCC2CO2)cc1)C(C(/C=C\\CC(=O)OCC1CO1)=C/C)c1ccc(C(=O)OCC2CO2)cc1"]
["181622596","C=CC(=O)CC(O)COc1ccc(ON=[N+]=[N-])cc1"]
["165595857","COCC(O)CCN=c1nc(-c2ccccc2)[nH]s1"]
["174789346","C=CC(=O)C(C)(O)C(C)OC(=O)c1ccccc1C(=O)OCC(C)O"]
["64748462","C=Cc1cccc(C(=O)OC2CN(COC)C(=O)N(COC)C2)c1"]
["97756990","C=CC[C@H](O)C[C@@H](O)Cc1ccccc1"]
["177386551","[CH2-][C@H](N=C(O)[C@H](C)[NH3+])C(O)=N[C@@H](C=C1[CH-][N-]C=N1)C(O)=N[C@@H]([CH2-])C(O)=N[C@@H]([CH2-])C(O)=N[C@@H]([CH2-])C(O)=N[C@@H](C)C=O"]
["9195756","COC(O)=N[C@@H](CC(C)C)C(O)=NCc1cccnc1OC(C)C"]
["168285698","COc1ccc(C=N[C@@H](CC(C)C)C(=O)O)c(O)c1"]
["176120338","CN=CC(=NC)C(O)=N[C@H](C=O)Cc1ccccc1"]
["14750976","CCC[C@@H](C)N=C(O)[C@@H](C)N[C@@H](C)c1ccc(F)cc1"]
["89324061","COc1cnc(CC(C)C)nc1C(=O)O"]
["145875682","CC(Sc1cc(Cl)ccc1Cl)C(O)=NC(C(=O)O)C1CC1"]
["112121939","CC(N=C(O)/C=C/c1cccc(Cl)c1Cl)c1cn[nH]c1"]
["89272881","CC(C)c1nc2ncc(C(=O)O)cn2c1C=O"]
["28208824","CC(C)CCN(C(=O)O)C(O)=NC(CCc1ccccc1)C(=O)c1nc(C(O)=NCc2cccc3ccccc23)co1"]
["88420532","CC(C)c1nc(S(=O)(=O)Cl)cn1CC(O)=NC(C)C(C)C"]
["103514054","COc1cc(OC)cc([C@@H](N=C(O)Cn2ccc(C(F)(F)F)n2)c2nccn2C)c1"]
["175985832","CCOC1=C(C2=C(c3sccc3OCC)C(c3sccc3OCC)C(C)(c3sccc3OCC)S2)SCC1"]
["149047796","CCOc1cc([C@@H](CS(C)(=O)=O)N[C@@H](C)c2ccccc2)ccc1OC.Cl"]
["172679286","CCOOc1ccsc1-c1cccs1"]
["5043734","COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1ccccc1C"]
["94953694","CCCC(NC1CC(OCC)C1)c1cccs1"]
["111972441","COc1ccc(CNCCN2CCSCC2)cc1Cl"]
["18385999","CCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1CC"]
["198288223","CC1=C(c2nc3cc4sc(C5=C(C)CCS5)nc4cc3s2)SCC1"]
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["52823111","CCOC(=O)CCC(O)c1cc(OC)c(OC)cc1OC"]
["MCULE-7539808311","CCOC(=O)CCC1CCCN1C(=O)CCc1nc2ccccc2[nH]1"]
["70380530","CCC1=CC2CN(C1)Cc1c([nH]c3ccc(N)cc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2"]
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["178468280","N#CC1=CCC(N2C3C=CC=CC3C3CC4C5CC(C#N)CC6c7cc(C8C=CC=CC8)c(NC8=CCC(C#N)C=C8)c8c7C(CC=C8)B(C7=CC=CC(C74)C32)C65)C=C1"]
["187590013","C1=CCC(c2nc(C3=CC=C(c4cc5c6c(oc5c5ccccc45)CC=C6C4=CCC(n5c6ccccc6c6ccccc65)C=C4)CC3)cc(-c3ccccc3)n2)C=C1"]
["168254620","CP(C)(=O)C1C=CC(NC2=NC(C3CCCC3)Nc3c2ncn3CCc2cccc(O)c2)=CC1"]
["177535115","N#CC1=CC(c2ccccc2C2=CC(n3c4c(c5c3=CCCC=5)C=CCC4)CC=C2)=C(NC2=CC=CC(C#N)C2)CC1"]
["161486989","C1=CCC(c2cc3c(ccc4c5ccc6sc(-c7ccccc7)cc6c5c(Cc5ccccc5)c(-c5ccccc5)c34)s2)C=C1"]
["175096379","CCc1nn(C2C=CC(C#N)=CC2)c(CC)c1OC1CCC(C#N)CC1"]
["170832277","CC1CC2=C(C=C1C1C=CC=CC1)C(C1c3ccccc3Oc3cccc(C4CC=Cc5c4c4c(n5-c5ccccc5)CCC=C4)c31)C1C=CC=CC1O2"]
["195365042","Cc1cccc(C)c1N1c2cc3c(cc2B2c4c(cc(C#N)cc41)-c1cccc4c(-c5ccccc5)ccc2c14)C(C1C=CC=CC1)=C1C=CC=CC1C3c1ccccc1"]
["169793502","C1=CC2C3CCC(C4C=CC5C6=C(CCC=C6)N(C6CCC(C7CC(C8CC=CCC8)=CC(C8CC=CCC8)C7)CC6)C5C4)=CC3N(C3C=C(C4=CCCC=C4)CCC3)C2C=C1"]
["153971261","CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCCC3)[C@H](O)/C=C3/C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@@H]4CC(=O)Oc5c4cc(c(O)c5[C@@H]4C=CC=CC4)C[C@H]1OC3=O)C2"]
["179104869","Cn1c(CNC2=CCC(C#N)C=C2)nc2cc(C(O)=Nc3ccccn3)ccc21"]
["78468054","C1=CCC(C2=CCC(c3ccccc3)N2c2ccc3c(-c4ccc5sc6ccccc6c5c4)c4cc(N5C(c6ccccc6)=CCC5c5ccccc5)ccc4c(-c4ccc5sc6ccccc6c5c4)c3c2)C=C1"]
["175776104","C1#C[C@@]2(C3C[C@H]4[C@@H](CCC5CCCC[C@@H]54)[C@@H]4CC#C[C@@]34[C@@]34C#CC[C@H]3[C@@H]3CCC5CCCC[C@@H]5[C@H]3CC4)C([C@@]34C#CC[C@H]3[C@@H]3CCC5CCCC[C@@H]5[C@H]3CC4[C@@]34C#CC[C@H]3[C@@H]3CCC5CCCC[C@@H]5[C@H]3CC4)C[C@H]3[C@@H](CCC4CCCC[C@@H]43)[C@@H]2C1"]
["74653498","CN(C)C(=O)C12CCC(C3(C)CC3)C1(C)C1CCC3C4CCCCC4CCC3C1CC2(C)C"]
["172155078","O=S(=O)(C1CCC(C2CCC3CCCCC32)CC1)C1CC(C(F)(F)F)C(C(F)(F)F)CC1S(=O)(=O)C1CCC(N2CCC3CCCCC32)CC1"]
["43048917","CCC12CCC[C@H]1[C@@H]1CCC3CCCC[C@@H]3[C@H]1CC2"]
["197639235","CCN=C(O)C1NCCC2CCCCC21"]
["98607842","C=C(C)C1CCCCC2CCC(C)C(C)CC21"]
["174849110","CC[C@H]1CC[C@H]2[C@@H]3CCC4CCCC(Br)[C@H]4[C@H]3CC[C@]12C"]
["175909132","C#CCC[C@@]12CCC[C@H]1[C@@H]1CCC3CCCC[C@@H]3[C@H]1CC2"]
["185216578","O=c1ccc(C2CC(OC(O)=NCCN3CCCC3)CC3CCC4C5CCCC5CCC4C32)co1"]
["73984121","CC1(C2(C)CCC3(C(=O)O)CCC4C5CCC6CCCCC6C5CCC4C32)CC1"]
["180852860","CC(N)CCC1CCC2C3CCCC3CCC2C1CI"]
["175244557","CC1(C)C2CC(C3CCC4CCCCC4C3)CCC2C2CCC(C3CC(C4CCC5CCCCC5C4)CC(C4CCC5C6CCCCC6C6CCCCC6C5C4)C3)CC21"]
["78532827","Bc1c(OP)cc(OP)c2c1OC(c1ccc(OP)c(OP)c1)C(C)C2C1=C=CC(C)=C2C1=[O+]C(c1ccc(C)c(C)c1)C(C)C2C1=C=CC(C)=C2CC(C)C(c3ccc(C)c(C)c3)O[C-]12.[Mo].[Mo]"]
["181302185","COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]2C)cc1OC"]
["115465848","COc1ccc(C2/C(=C(\\O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2ccc(C)c(C)c2)cc1"]
["171185357","COc1ccc([C@H]2CCOC(O)=N2)cc1C"]
["151627534","COc1ccc([C@H]2Cn3cnc(C(O)=NCc4ccc(C)c(C)c4)c3CO2)cc1"]
["55951848","CCCCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1OC"]
["156405194","COc1ccc([C@H]2c3c(n[nH]c3C)C[C@@](C)(O)[C@@H]2C(C)=O)cc1OC"]
["MCULE-6818110475","COc1ccc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SCc2cccc(C)c2)cc1O"]
["168897550","COc1cc([C@@H]2c3c(cc(OC)c4c3[C@H](CO)[C@H](c3ccc(O)c(OC)c3)O4)C[C@H](CO)[C@H]2CO)ccc1O"]
["186769899","COc1cc([C@@H]2CC(=O)Oc3cc(O)cc(C)c32)ccc1O.COc1cc([C@H]2CC(=O)Oc3cc(O)cc(C)c32)ccc1O"]
["MCULE-1490548920","COc1ccc(CCc2nnc3n2N(C(=O)Cc2ccc(C)c(C)c2)C(C(C)(C)C)CS3)cc1OC"]
["149164173","CCCCCOc1ccc(C2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1OC"]
["195461187","C1=CCC(N2C3=C4B(c5ccccc5NC4CC=C3)c3cccc(C4NC(C5=CCCC6=C5N(c5ccccc5)C5=C7B6c6ccccc6NC7CCC5)=NC(C5=CCCC6=C5N(c5ccccc5)C5C=CCC7Nc8ccccc8B6C75)N4)c32)CC1"]
["184174097","CC1(C)c2ccccc2-c2cccc(-c3ccc(C4NC(c5ccc6c7c(sc6c5)C=CCC7)=NC(c5ccccc5)N4)c(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c21"]
["198665270","C1=CCC2C(=C1)Oc1cccc3c1N2c1cccc2c1B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1"]
["186975374","CC(C)(C)C1=CC(N2C3=C4B(c5ccccc5N(C5=CCCCC5)C4=CC(C(C)(c4ccccc4)C4C=CC=CC4)C3)c3ccc(C(C)(C)C)cc32)=CCC1"]
["45694872","O=C1C(c2ccccc2)N=C(O)CN1C1CC=CCC1"]
["192075472","C1=CCC2=C(C=C1)N(c1ccccc1)c1ccccc1C21c2ccccc2Sc2cc3c(cc21)c1ccccc1n3-c1ccc(C2Nc3ccccc3N2c2ccccc2)cc1"]
["55817809","ClC1=NC2=C(C=CCC2c2ccccc2)n2ccc3c2C1=CCC3"]
["195735728","c1ccc(N2C3=C(C4CCCC5B6C7CCNC8C9=C(N(c%10ccccc%10)C%10CCCNC9%10)N(C9CC(c%10ccccn%10)CC(C69)N3C54)C78)C3NCCCC32)cc1"]
["162424782","O=C1CN(Cc2ccccc2)CC(=O)N1C1CC=CCC1"]
["172190996","C1=C2C([C-]=CC=1n1ncc3c1C1(C=C3)C3=C(CCCC3)c3ccccc31)c1ccccc1N2c1[c-]c(Oc2ccccn2)ccc1.[Pt+2]"]
["174072968","C1=CCC(N(c2ccccc2)c2cc3c4c(c2)N(C2=CCCC=C2)c2ccccc2B4C2=C(CCC=C2)N3c2ccccc2)C=C1"]
["180277115","C1=CC2=C3B(C4=C(CC(n5c6ccccc6c6ccccc65)C=C4)N2c2ccccc2)c2cc(N4c5ccccc5Oc5ccccc54)cc4c5cc(N6c7ccccc7Oc7ccccc76)ccc5n(c24)C3C1"]
["195769833","CO[NH+]([O-])OCC[NH+]([O-])OCCO[NH+](C)[O-]"]
["185353500","COC(=O)CC[NH+](CCC(=O)OC)CCC(=O)OC"]
["11035472","COCCC[NH+](C)CCOc1cccc2ccccc12"]
["175431358","COCC(CN(C)C)N(C)C"]
["53672226","CCCCOCC[NH+](C)C"]
["6408056","C[NH2+]Cc1ccccc1OCC[NH+](C)C"]
["195062035","CO[NH+]([O-])CC=CC(=O)O"]
["67787992","CCNc1ccc(S(=O)(=O)NC(COC)C(C)C)cc1"]
["187044358","C=[C-]C[NH+](C)C(C)COC"]
["184984406","CO[NH+](C)C1OC1C"]
["20190385","COCC[NH+](CCOC)CCC(=O)OC(C)(C)C"]
["195366806","CO[NH+]([O-])CCC(C)(C)O"]
["25153727","Nc1ccc(-c2cc(N)cc3c2-c2c(c(-c4ccc(N)cc4)c(N)c(-c4ccc(N)cc4)c2-c2ccc(N)cc2)C3=O)cc1"]
["175547029","CC(CCN(c1ccc(N)cc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1"]
["472139","Nc1cc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(O)=NC3=O)ccc1Cl"]
["64257122","CC(C)C1CC(N)CCC1(Cc1ccc(N)cc1)C(C)C"]
["144788011","Cn1c(C(=O)O)ccc1-c1ccc(N)cc1"]
["MCULE-4028233360","COc1cc(-c2ccc3c(c2)C(=O)CCS3)ccc1C#N"]
["10522","Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)cc1Cl"]
["66065094","Nc1ccc(C2=CCC(C(=O)O)C(O)=N2)cc1"]
["62185401","COc1cc(Cc2c[nH]c(=N)[nH]c2=N)cc(OC)c1OC.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1"]
["112702781","CC(C1CCOCC1)N1C(=O)c2ccc(N)cc2C1=O"]
["183351171","O=C1CC(c2ccc(Cl)cc2)Cc2[nH]c3ccccc3c21"]
["1606719","Nc1ccc(S(=O)(=O)c2ccnc3cc(Cl)ccc23)cc1"]
["195795241","CC(C)C#CCN=C(O)COCCOC(C)SSCCNC(C)C.CC(C)C#CCN=C(O)COCCOC(SSCCNC(C)C)C(C)C.CCC(OCCOCC(O)=NCC#CC(C)C)SSCCNC(C)C"]
["67428042","C#CCN=C(O)COc1cc(OC)ccc1CNC(C)C"]
["120797998","CNN=C(O)COCc1ccccc1OC"]
["126193597","CCOCCOCc1cccc(NC(=O)C(=O)NC(C)C(C)CC)c1C"]
["170026897","C=N/C=C(/COCCOC(C)C)N1C=COC1"]
["111436745","C=C(C)CCOCC(=C)CNC(C)C"]
["125169281","CC(O)CC(CN=C(O)CC(C)C1CCCNC1)c1ccccc1"]
["114603505","CCC(C)N=C(O)CCNC(C)c1c(O)cccc1O"]
["192369811","CC(C)(C)CCCN=C(O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(O)=NC(C)(C)C)c1"]
["184898739","CC(C)C#CC[O-].CC(C)NCCCC(OCCOCCOCCN)SC#N.[W]"]
["85095317","CCNC1(C(=O)O)CCCC1CCOCCOC(C)C"]
["189115523","CCCNCC(C)(C)OCC(C)(C)N=C(O)COCC(=N)O"]
["58512838","C=[N+]=P1(NC)NP(NC)N(NC)P(NC)N1NC"]
["169927582","CNN1C[C@H]2C[C@@H]1CO2"]
["179257682","CN/C(=C\\C=C\\NN=N)N1CCNCC1"]
["75606816","CN/C(=C\\C=N)N1CCNCC1"]
["81480166","CNN1C(C)COCC1C"]
["188232028","CNN1CC(N2CCCC2)C1"]
["189133732","CNN1CC(C)NC(C)C1"]
["25872753","CNN1P(NC)N=P(NC)(NC)N(NC)P1NC"]
["180338157","C=C(/C=C\\c1[nH]nc(C#N)c1C)NC"]
["MCULE-1307247441","CNS(=O)(=O)c1ccccc1-c1ncn2ccccc12"]
["179513285","CNN1C[C@@H]2C[C@H]1CN2"]
["149688946","CNN1CC2CC1CO2"]
["195332936","CC(F)(F)COC(F)(C(=O)OCCC(F)(F)CCC1(F)CC(F)(F)C1(F)OCC(F)(F)CC(F)(F)OC1CC(F)(F)C1OC(F)(F)CC(F)(F)COC(=O)C(OC(F)(F)CC(F)(F)F)C(F)(F)F)C(F)(F)F"]
["150011031","CC(F)(F)C(=O)OCCC1CCCCC1.CC(F)(F)C(=O)OCCCC1CCCCC1"]
["147758884","CCC[C@H](I)[C@@](O)(CO)CC(C)(C)C[C@@H](O)CC(C)(C)CC[C@@]1(OC(C)=O)OC(=O)C=C1C"]
["188143510","CC(CC(C)(C)C)C(C)(C)C(=O)OCCCCCCCCCCCOc1ccc2cc(-c3ccc(C(F)(F)F)cc3)c(=O)oc2n1"]
["159394409","COC(C)(C)C(=O)OCOC(=O)c1cccc2c1OB(O)[C@@H](N=C(O)CC(C)(F)F)C2"]
["147721205","C=COC1CC2CC(C(=O)OCCC(F)(F)CC(F)(F)F)C1C2"]
["170699329","C=C(C)C(=O)OCC1CCc2c(-c3ccc(-c4cccc(OC(=O)C(C)(C)C)c4)cc3F)ccc(OC(=O)C(=C)C)c21"]
["147671795","C=CC(=O)OCC(C)(COC(=O)C=C)N=C(O)OCCCC(COC(=O)C(F)(OC(F)(F)C(C)(F)C(F)(F)F)C(F)(F)F)C(N=O)OC(C)(COC(=O)C=C)COC(=O)C=C"]
["74488948","CCC(C)C(=O)OC1CC2CC1CC2CC(C)(C)C(F)(F)F"]
["172633782","Cc1c(C2CC(F)(F)C2)nn(C2CC2)c1NC(=O)OCC(F)F"]
["51863439","CCC(C)C(=O)OCCC(F)(F)CC(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)F"]
["190238895","CC(F)(F)COc1ccc2c(n1)CCN(CCC1(F)CCC(CC(=O)c3cccnc3C(F)F)CC1)CC2"]
["65499272","CC1(C)C2=CC3C(=C=C2c2ncccc21)c1ncccc1C3(C)C.CC1(C)C2=[C-]C3C(N=C2c2[c-]cccc21)c1[c-]cccc1C3(C)C.[Ir+3]"]
["65496498","CC1(C)c2cccnc2C2=C=CC(F)=C(Br)[C-]21.[Pt]"]
["56156643","CN(Cc1ccccn1)CC1CC(C)(C)CCC1=O"]
["21013618","CN(C)c1ncccc1CNC(=O)C(O)=Nc1ccc(Cl)cc1"]
["85379215","CNC1C(CN(C)Cc2ccccn2)CCC1(C)C"]
["197550482","CC1(c2cccnc2N2CCCCC2)CO1"]
["148815911","CC1(c2cccnc2OC(=O)O)CCOCC1"]
["181198178","Cc1cccnc1-c1nc2c(Cl)cccc2cc1CN=[N+]=[N-]"]
["188196487","CC(C)(C)c1ccc(C(C)(C)CC[C@@]2(C)CC(C)(C)c3cccnc32)s1"]
["50821082","CCCCC1(CCCC)C2=CC=C(C3=C=C(c4ccccn4)C(F)=CC3F)NC2=C2C(=O)[C-]=CC=C21.[Pt]"]
["171981381","CC1(C)CC(C)(C)c2cc(C3=C=CC4C(=[C-]3)C(C)(C)C(C)(C)C4(C)C)ncc21.Cc1cccnc1-c1[c-]cccc1.[Ir]"]
["112794790","CNc1ncccc1S(=O)(=O)NCC(C)(C)CCOC"]
["161817598","O=[N+]([O-])C12CC3C(Br)C([N+](=O)[O-])(C1)C[N+]3(CCBr)C2"]
["33583020","CN1CC2([N+](=O)[O-])Cc3cccnc3C([N+](=O)[O-])(C1)C2"]
["185043276","O=CC1([N+](=O)[O-])C=CC=CC1(F)[N+](=O)[O-]"]
["32639269","C[C@@H]1C[C@]2([N+](=O)[O-])CCC[C@@H](C2=O)[C@H]1O"]
["110814774","CCCCN1C[C@]2([N+](=O)[O-])CC=C(C(=O)O)[C@@]([N+](=O)[O-])(C1)C2"]
["53849011","O=[N+]([O-])CC1OCCO1"]
["198213496","N#CC1CC2CC1(C(=O)CCCCBr)C2"]
["49205279","O=C(O)[C@]1([N+](=O)[O-])C[C@@H]1c1ccc(Br)cc1"]
["46608131","CC[N+](CC)=C1S[C@@]2(C)CS(=O)(=O)C[C@]2(Br)S1"]
["19102573","CC[C@@H]1C(C#N)(C#N)C(C#N)=C(N)[C@@]1(C)[N+](=O)[O-]"]
["109306465","O=[N+]([O-])[C@@H]1C=NC=N1"]
["91265666","C=CCSC1CC2(C[N+](=O)[O-])CCC1C2[N+](=O)[O-]"]
["192202693","CC1=C(C)c2c(ccc3c2-c2c(ccc4c2[N+](C)=C(C)C4)C3)C1"]
["46987700","C=[n+]1c(C)ccc2c1=C1C(=CC=C(C)N1C)CC2"]
["49928757","COc1ccc2c(c1OC)C[C@H]1CC=[N+](C)C1C2"]
["105397234","CC(C)C(=O)Nc1ccc(NC(O)=N[C@@H](C)c2ccc3c(c2)CC(O)=N3)cc1"]
["169227812","Cc1ccc2c(c1)CCC(CN(C)C)C2"]
["91533221","Cc1cc2c(cc1C1CCCC1)OC(=O)C2"]
["162947934","Cc1c(O)ccc2c1CC[C@H](N)C2"]
["162978680","Cc1ccc2c(c1F)CNC(C)C2"]
["176055741","CN=C(O)C1=C(C)Cc2cc(O)ccc21"]
["90989742","CC1=[N+](C)c2ccccc2C1.[I-]"]
["172416889","Cc1ccc2c(c1C)Oc1ccccc1C2"]
["112385495","CCN(CC)CC1CCc2ccc(N)cc2C1"]
["196015754","CC1=[N+](C2C=C=C=C[C@@H]2N)C=C[N+]1(C)C1=CC=CCC#C1"]
["184246621","C=C[C]=N/C(=C\\C)N1c2ccccc2C2C3C4CC=CC=C4C3C21.[Al]"]
["177051598","CC.CC.Cc1ccccc1C1=CC=CC[N+]1(C)F"]
["48155397","CCCCSC1(CC2=CC=CC2)CC=C(C)C=C1C"]
["25457354","CC1C2=CC=CC[C]C2C(C)C1C"]
["178186741","CC1=CSC(C/C(C(=N)O)=C(/N)C2CCC(C3=CC=CC[C@H]3C)CC2)N1"]
["181263561","[N-]=[N+]=NC1C=CC(N)=c2[nH]c3c(c21)CC=CC=3"]
["186489338","CC12CC=CC=C1N(c1cccc(Br)c1)C=N2"]
["174325211","CC(=O)COC/C1=C/C=C\\CC#CC1"]
["82940434","CC1=CC(C2CC=CC=C2O)CC2=C(C)C=CC12"]
["184572631","CC1=C2C#CCC=CC2=N[N+]1=O"]
["177154177","CCOC(=O)C1(O)C(O)=NC2CCC3CCCCC3C21"]
["82800997","CP(=O)(O[N+]1=c2ccc([NH-])cc2=[NH+]C(=O)C1=O)O[N+]1=c2ccc([NH-])cc2=[NH+]C(=O)C1=O"]
["59689963","Cc1cc(=NC(=O)[C@H](C)OC(=O)/C=C/c2cc(C)n(C3CC3)c2C)[nH]o1"]
["MCULE-1870301762","COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(C)c(C)cc3OC)CC2)c(OC)c1"]
["68776464","O=C(Nc1ccccc1CO)c1cccn1C1CC1"]
["120445712","COCCCn1nccc1C(=O)C1(C)CCCS1"]
["89792645","CCOC(=O)CCN(C)Cc1sc(O)nc1-c1ccc(C)cc1C"]
["185940619","CNC(CCP(=O)(OC)Oc1cccc(CC(=O)O)c1)C(=O)O"]
["117363048","CCSC1=C(c2ccccc2OC)C(=O)N(c2cc(C)cc(C)c2)C1=O"]
["132467089","COc1ccccc1OCC(=O)OCc1cc(C)sc1C"]
["113162090","N#Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Cl)s1"]
["MCULE-7838245223","CCC(C)C(NC(=O)c1ccc(C)c(C)c1)C(=O)N1CCCC1C(=O)c1ccc(OC)c(C)c1"]
["114821817","COCCN(CCC(=O)OC)c1ccc(C)cc1C(=N)S"]
["188172850","CC1C2OC3C(OS(=O)(=O)C13)C2C1C2C[C@]3(C)OS(=O)(=O)C1C3O2"]
["108982768","CC(C)[C@H]1C[C@@H](C2([C@@H]3C[C@H](C(C)C)[C@H](O)[C@H](Br)[C@@H]3C)OS(=O)(=O)[C@H]3CCCC[C@H]32)[C@H](C)[C@@H](Br)[C@H]1O"]
["178704523","COCCC1OS(=O)(=O)C2CCC(CO)(C2)C1C"]
["60061985","CC1CS(=O)(=O)C2CC(C)(C)CCC2N1"]
["76246685","CC1CC(C)(C)N(C)C(C)O1"]
["44568133","C[C@H]1C[C@@H]2OC3OC(=O)CC3[C@@H]2C1(C)C"]
["158417271","C[C@@H]1CS(=O)(=O)CCN1CCCN1C(=O)C(C)(C)N=C1O"]
["97174763","CCOP(=O)(OCC)C1C[C@@H]2OC(C)(C)O[C@@H]2[C@@H](C)O1"]
["185783257","CC1(C)O[C@@]2(C)[C@H]3C[C@H]4O[C@@]2(C[C@H]1Br)O[C@@]4(C)C[C@@H]3O"]
["183138352","CC1CC(CC2(C(=O)[O-])CC(C)C3OC3C2)C2CC1O2"]
["194911675","C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C[C@@]3(C)O[C@](C)(CC[C@@H]3O)[C@H]2O1"]
["76992364","CC1=C(C)C2(C)C(C)C1(C)C(C)S2(=O)=O"]
["171380533","[2H]C1=C([2H])C2=C([2H])C([2H])=C3C([2H])=C([2H])C(OS(=O)(=O)[O-])=C4C([2H])=C([2H])C(=C1[2H])C2C34.[K+]"]
["21988745","C[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])CC1"]
["166741831","N#CCc1cc(I)c(OC(F)(F)F)c([N+](=O)[O-])n1"]
["6802769","COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2C)cc1C"]
["13745888","CS(=O)(=O)c1cc(S(=O)(=O)Oc2ccc(Cl)cc2)ccc1F"]
["119346946","COc1ccc(S(=O)(=O)N2C[C@H](O)CO2)cc1C"]
["96747348","O=[N+]([O-])c1cc(OS(=O)(=O)O)cc([N+](=O)O)c1O"]
["170987600","[2H]C1=C([2H])C([2H])(OC)C([2H])C([2H])=C1C(C)=O"]
["177685448","CCN=C(O)c1cc[n+](CCOS(=O)(=O)[O-])nc1"]
["57376126","CCc1cnc(N2C[C@@H]3C(COc4ccc(-c5ccc(S(C)(=O)=O)cc5)nc4)[C@@H]3C2)nc1"]
["78471827","O=S(=O)([O-])c1ccc(S(=O)(=O)O)s1.[K+]"]
["97464493","Cc1cccc(C)c1OCS(=O)(=O)[O-].[Na+]"]
["161972886","O=C(c1cc2c#cc1CCC1=CC=C(CC1)CC2)C(F)(F)F"]
["127499144","CN(CC(F)(F)F)C(=O)c1nn(-c2ccccc2)c2c1CCC2"]
["32155990","CC(O)(CN=C(O)C(F)(F)F)C(O)=Nc1ccc(C(=O)C(F)(F)F)c(C(F)(F)F)c1"]
["56200302","CCc1cc(S(=O)(=O)Cl)cc(CC)c1NC(=O)C(F)(F)F"]
["140533092","C#CC(OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1"]
["64846012","O=C(O)c1ccc2c(c1)CCCN2CC(O)C(F)(F)F"]
["172073198","O=C(C1=C([O-])c2cc(F)c(F)c(F)c2C1)C(F)(F)F"]
["127018654","O=C(c1cc(F)c(F)cc1Cl)N1CCC(C(=O)C(F)(F)F)CC1"]
["174139961","CC(C)(C)C(=O)c1ccc(NSC(F)(F)F)cc1Cl"]
["MCULE-1676393885","Cc1ccc(N(C(=O)C(F)(F)F)C2CCC(C(C)(C)C)CC2)nc1"]
["MCULE-5160243260","O=C1N=C(O)CCC1N1C(=O)c2cc(F)c(NC3CC4(CCN(C(=O)c5ccncc5F)CC4)C3)cc2C1=O"]
["109419746","Cc1cc(C)c2c(c1)OC[C@@H](C(=O)C(F)(F)F)C2=O"]
["174847445","CC1=C=CC=c2c(c3cccc4[c-]3c2=CC=C=4)=C1.[Ru+]"]
["67255602","Cc1cccc(S(=O)(=O)CCOc2ccccc2C#N)c1"]
["22344279","COc1cccc(/C=C(/C(O)=NCCCn2ccnc2C)n2nnnc2C)c1"]
["50600861","CC(C)(c1cccc(C2=C=CC=C(C(F)(F)F)[N-]2)n1)c1ccn(C2=C=CC(C(F)(F)F)C=[C-]2)n1.[Pt+2]"]
["170984766","Cc1cccc(C(C)(C)C)c1OCCCCBr"]
["59476829","Cc1cccc(C)c1OCCCCC(C)(O)CN"]
["149893128","CC1=C=CC=C(C(C)N)C=C1"]
["126666930","Cc1cccc(C)c1OCC(O)=NN(C)C(=N)O"]
["98624310","CCC.COc1c(C)cccc1C.COc1c(C)cccc1C"]
["67189776","CNC(CCO)CS(=O)(=O)c1cccc(C)c1"]
["75511067","CCC(C)(C)C1=C=CC=C([S+](C)C)[CH]1"]
["200084936","C[O+]=C1C(Cl)=C=CC=C1B(O)O"]
["184521716","[H+].[O-]C1=[N+](c2ccc([S-]([O-])([O-])=ICc3[nH+]cc[sH+]3)cc2)CC[C@@H]1[I+]1=C2C=CC=C=C2CC1.[U]"]
["7647355","CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cc[nH+]n2[C@@H](C)CC)C1"]
["156547974","CN(C(=O)[C@H]1CCCc2sccc21)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21"]
["19194313","COc1cc[nH+]c(N2CCC(Nc3ncc(-c4ccsc4)c4nc(C(F)(F)F)ccc34)CC2)n1"]
["141633079","CCCC(NCc1ccc(S(=O)(=O)CC)cc1)C1CC1"]
["17966682","CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc[nH+]n2[C@@H](C)CC)C1"]
["176186065","CCC1CC2=C=CC=Cc3c(C)ccc1c32"]
["175352815","[O-]c1nc2ccc(C3=C/C[CH+]/C=C/C=C\\3)cc2c(OCC2CCNCC2)c1C1CC=CS1"]
["193522602","CC1(CCC[O+]=C2C=C[N+](c3ccc4c(n3)N3CC(CC[NH2+]C5=C=CC=C([N-]5)S(=O)(=O)[N-]C4=O)CC3(C)C)=N2)CC1"]
["198661777","CC[C@H]1CC2=C=CC=CC2=C[N-]1.[Y]"]
["195552417","CCCC1CCCC1CC/C(C)=C1/C=CC2=C1CC2"]
["170694377","[Cu+2].[O-]C1=C=CC=CC1=[N+]([O-])[O-]"]
["34249144","C1=CC2[Si+]=c3ccccc3=[Si-]C2C=C1"]
["47633138","NC1(C(=O)O)C=CC=CC1C(=O)c1ccccc1"]
["25897034","Cc1ccccc1C1CN=CN(C)C1"]
["43991247","CC(C)C1=CC=N[N+]2=CC=CC12"]
["84135444","c1ccc(C(=C2C3C4C3C3C2C43)c2ccccc2)cc1"]
["58375987","Cc1ccccc1[C@H]1COCCN1"]
["54517821","C=CC1C=CC=CN1Cc1ccccc1"]
["172138298","Cc1ccc2c(c1)-c1ccccc1C2c1cc(Cl)cc(-c2cccc(C3c4ccccc4-c4ccccc43)c2)c1"]
["49819743","Cc1ccccc1C1CC2CC1CN2C"]
["184342844","CN(C)CC[C@H](OC1=CC=CC2C=CC=CC12)c1cccs1"]
["197268886","Cc1ccccc1C12CC(C1)C(C(=O)O)C2"]
["81685327","C[Si](C)(C)C1CC([Si](C)(C)[n+]2c3ccccc3nc3ccccc32)C2C=CC=CC21"]
["175284006","[B+]C1([B+])C([B+])([B+])C([B+])([B+])C2([C-](O)[N+]23C[C-]([O-])N2CC[C-]4[CH-][CH-][CH-][CH-][C-]4C2C3)C([B+])([B+])C1([B+])[B+]"]
["174097128","[B]C1([C-]2C(F)=CC(=CC[O-])C=C2F)CC([B+])([B+])C(=O)N=C1O"]
["173980767","[B+]C([B+])(F)C([B+])([B+])C([B+])([B+])O[C-]1C[C-]2CCN3C[C@@H](CC(C)C)[C@H]([O-])CC3[C-]2[CH-][C-]1OC"]
["175203150","[B+]C([B+])([B+])O[C-]1[CH-][C-]2CCN3C([C-]2[CH-][C-]1OC)C([B+])([B+])[C-]([O-])C([B+])(CC(C)C)C3([B+])[B+]"]
["175517271","[B+]C1([B+])N2CC[c-]3c(=[B+])[c-](OC)[c-](OC)c(=[B+])[c-]3C2C(O)(O)C(O)(O)C1(O)CC(C)C"]
["173926338","[B+]C([B+])(N=C(O)C(F)(F)[c-]1[cH-]cc(Cl)[cH-][cH-]1)c1cc2c(c(=[B+])c1=[B+])C([O-])N([C-]1CCC(O)=NC1=O)C2([B+])[B+]"]
["184273152","CCOC(=O)[C-]1CCN([I+]C)CCC1[O-]"]
["80661389","CC(C)C[NH+]1CCN(C2CC(C)(C)CC(C)(C)C2)CC1CCO"]
["176073105","[B]C1(CC(C)C)[C-]([O-])C([B+])([B+])C2C3=C=C(OC)[C-](OC)C[C-]3CCN2C1([B+])[B+]"]
["173873495","[B+]C([B+])(F)C([B+])([B+])C([B+])([B+])O[C-]1C[C-]2CCN3C[C@@H](CC(C)C)[C@H]([O-])C[C@@H]3[C-]2[CH-][C-]1OC"]
["175898607","[B+]C([B+])(O[C-]1[CH-][CH-][CH-][C-]2C1=CN(C1CCC(O)=NC1=O)C2[O-])c1cc(=[B+])c(C([B+])([B+])N2CCOCC2)cc1=[B+]"]
["175810892","[B+]C1([B+])CC(n2c(=O)[c-]3[c-]([n-][c-]2C)C(=[B+])C(=[B+])C(=[B+])[C-]3N)C(O)=NC1=O"]
["195650672","CC1=CC2C=C3C4=CC5=CC4=C(C1=N)C532"]
["164542232","CC1=CC(=O)C2=CC=C3CC[C@H](C)C[C@@H]3[C@]2(C)C1=O"]
["172762408","Cc1ccc(C2(c3ccc(C)c(C)c3)C=CC=CC2)cc1C"]
["83158465","CC1=CC(=O)N=C2C=C3C(C=C12)C(C)(C)C(C)N3C"]
["157010485","Cc1ccc([C@@]2(C)CC[C@@H](Cl)C2)cc1Cl"]
["59171444","CC1CCC(NC(=O)c2ccc(Br)s2)CC1C"]
["172280830","CC1=CC(=O)C2=C(CCC23C(=O)C=C(C)C3=O)C1=O"]
["48025111","CC1=CC(=O)C=C/C1=C1\\NCC(C)S1"]
["183343981","CC1=CC(C)(C)C(N=[N+]=[N-])C(C)=C1N"]
["10226316","Cc1cccc2[nH+]c(CN3C[C@@H](C)O[C@H](c4ccccc4)C3)cn12"]
["9070431","Cc1cc(C)n2[nH]c(=N)c(C#N)c2c1C#N"]
["176801953","CC1=C(C#N)C=C2CC(C)CC21"]
["99680486","CN(C)c1ccccc1C1=C[S+](c2ccccc2N(C)C)OC(c2ccccc2N(C)C)=C1"]
["MCULE-2047696879","Cc1ncc(-c2ccccc2N(C)C)cc1N=C(O)c1c(F)ccc(F)c1F"]
["61688476","COc1ccc(OC)c(C2N(Cc3ccccc3N(C)C)CCCN2Cc2ccccc2N(C)C)c1"]
["MCULE-4013034034","CN(C)c1ccccc1-c1cnc(N(C)C(=O)c2ccn(C)n2)nc1"]
["101038870","CSc1ccccc1Nc1ccccc1C1=NC(C)(C)CO1"]
["27149153","CN(C)c1ccccc1OCC1=CC=C(CO)SS1"]
["24016264","CC[C@H](C)[C@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["93241301","CN(c1cc(O)ncn1)c1ccccc1C(=N)S"]
["112414493","COc1nc(-c2ccccc2Br)ccc1N"]
["119069606","CCC(C)C(O)CN=C(O)c1ccccc1-c1nnc(C)o1"]
["MCULE-7974693783","CN(C)c1ccccc1-c1ccc(CCC(O)=NC2CCOC2=O)c(F)c1"]
["92754591","CN(C(=O)c1cccc(Cl)c1N)c1ccccc1C#N"]
["175438191","[2H]OC1=NC2=C(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])N=C(C([2H])([2H])[2H])N([2H])C2=NC1([2H])[2H]"]
["169970522","CC1=C2N=C(O)C(C(C)C)C2=C(C)CC1"]
["118446208","CC(O)CN(C)C(=O)C1CC(O)=Nc2ccccc21"]
["77808988","CC(C#N)CN1CCC(O)=NC1=O"]
["87409002","C[C@H](N)c1ccc(N(C)CC2CCN(C)C2)nc1"]
["91738645","CN(C)C1(Cn2cncc2C(N)CO)CCC1"]
["114330549","C[C@@H](O)[C@H](N=C(O)C1CN=C(O)CN1)C(=O)O"]
["57580456","[2H]Oc1c(C(O)=NC([2H])([2H])CC([2H])([2H])N2C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c(=O)n(C([2H])(C)C([2H])([2H])[2H])c2nn([2H])cc12"]
["85843965","C[C@@H](N)c1ccnc(N2CCCN=C(O)C2)c1"]
["98446290","CC(C)CC(=O)c1ccc(CN2C=C(O)NS2(=O)=O)s1"]
["115034623","CC1=C2N=C(O)CC(C)N=C2NC(Cl)=N1"]
["186380127","CC(NC(=O)O)c1nc[nH]n1"]
["159390125","FC(F)(F)C(O[N+]12C=CN=CC1=NC(Br)=N2)C(F)(F)F"]
["88738621","CCC(N)C(Oc1ccc(F)c(Br)c1)C(F)(F)F"]
["MCULE-3121961261","COc1c(F)cc(Br)cc1N=C(O)CC(C)C(F)(F)F"]
["47232162","COc1ccc(N=C2N=C3C=NC=C[N+]3(c3cnc4ccccc4c3)N2)cn1"]
["159274151","FC(F)Oc1cc(I)c(Br)cc1C(F)(F)F"]
["163374764","Oc1cc(OC(F)(F)F)c(CBr)nc1Br"]
["163201341","FCc1c(Br)ncc(OC(F)(F)F)c1F"]
["145597098","OCc1c(Br)ncc(C(F)(F)F)c1OC(F)(F)F"]
["111083516","NCC(OC(C(F)(F)F)C(F)(F)F)c1ccccn1"]
["162586598","N[C@@H](c1cnc(O)c(Br)c1)C(F)(F)F"]
["158134357","FC(F)(F)Oc1cnc(Br)c(C(F)(F)F)c1"]
["120790674","COc1c(C)c(C)c(Br)c(C)c1C(F)(F)C(C)(C)N"]
["178133297","[B+]=[O+]CC=C1[CH-]NC2=C(O)CC([NH+]3CCOCC3)=N[C-]12"]
["172158578","CC(C)(C)C(=O)OCC[NH+]1CCOCC1"]
["11330376","C=CCN1C(O)=N[C@H](c2ccc(F)cc2)C2=C1CN(CC(=O)N1CCOCC1)C2=O"]
["16047405","Cc1cc(C)cc(CN2CCC[C@@H]2C(=O)[NH+]2CCOCC2)c1"]
["22150125","COC(=O)c1ccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2CCC[NH+]2CCOCC2)cc1"]
["18820700","COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CC[NH+]3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1OC"]
["11674868","Cc1ccc(OCCC[NH+]2CCOCC2)c(Br)c1"]
["19279125","CCn1c(C)c(C(=O)CN(CC[NH+]2CCOCC2)S(=O)(=O)/C=C/c2ccccc2)c(C)c1C(=O)OC"]
["166617203","CCc1[nH]nc2c1C(O)CC1(CCOCC1)C2"]
["19725777","CC1(C)[C@H]2CC=C(CN(CCC[NH+]3CCOCC3)C(=O)c3ccccc3Cl)[C@@H]1C2"]
["7915047","Clc1cc(Cl)c(OCCC[NH+]2CCOCC2)c(Cl)c1"]
["18632393","Oc1c(Cl)cc(Oc2cc(Cl)c(O)c(C[NH+]3CCOCC3)c2)cc1C[NH+]1CCOCC1"]
["178541987","BrC1=CC=C2C3=C(Br)C=CC=C1I23"]
["55581190","C=CC1=CC=C1"]
["178503149","C=C1CCC=N/C1=C1/C(=N)C=CC=C1Br"]
["MCULE-3413705079","OCC1=CC2C=CC(Br)=CC2S1"]
["147598546","BrC1=CC=C/C1=C/N1CCCCC1"]
["154648823","CC1=C/C=C\\C=C(C)/C(Br)=C\\1"]
["101310574","C=C=C1C=CC=C(C(=O)OC)[C]1Br"]
["193834656","CN(C)C.[N-]=C=C1C=CC=C1C#[NH+]"]
["50666762","BrC1=C2CC(=CC=C1)C=CC=N2"]
["91347027","S=C1C=CC=C(Br)C1=C1NCCCN1"]
["176400086","C=C1C=CC=C(I)[CH+]1"]
["189785485","C=C1C(=O)C=CC=C1C"]
["55731490","Cn1nnc(-c2ccc(C3=CS#C[N-]3)cc2)n1.[Li+]"]
["24600581","CCc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2)cc1"]
["42241190","CCCCCc1cc(-c2ccccc2)nn1C"]
["139248455","CCSCCSc1nnc(-c2ccc(F)cc2)n1CC"]
["14752968","CC(C)(C)SCCN=C(O)CCCn1nnc(-c2ccccc2)n1"]
["48448203","O=c1c2ccccc2nnn1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1"]
["186441716","Cn1nnc(CN=c2nn[nH]n2Cc2ccccc2)n1"]
["26542718","COC(O)=N[C@](N=C(O)OC(C)(C)C)(C(O)=N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1ccc(-c2nnn(C(C)(C)c3ccccc3)n2)cc1)C(C)(C)C"]
["94684722","CCc1ccc(C(N)Cc2cc(C)nn2C)s1"]
["158101684","Cn1nnc(CNC2=CC(=O)CC2)n1"]
["170829653","Cn1ncc(-c2ccccc2O)n1.O=C(O)C(F)(F)F"]
["MCULE-8687072524","COCc1ccc(-c2cnc(SC)nc2C(O)=Nc2cc(C(C)C)nn2C)cc1"]
["75614488","C[N+]1(C)C(=C([O-])Nc2ccc(C#[NH+])cc2-c2nc(=O)o[nH]2)C=C2C=C=C(N(C(=O)c3ccco3)c3ccc(C#N)cc3-c3nc(=O)o[n-]3)[CH+]C21"]
["MCULE-4433420688","CCCCC1CCC(c2nnc3n2N(C(=O)c2ccco2)C(c2ccc(OC)cc2)CS3)CC1"]
["18496741","COc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1"]
["33152499","Cc1ccc(CN2N=C(O[C@@H]3c4cc(C#N)ccc4OC(C)(C)[C@H]3O)[C@H]3C[C@H]3C2=O)cc1"]
["127981803","CN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F"]
["MCULE-9975339675","CC(C)(C)OC(=O)N1C(C(=O)Nc2ccc(-c3cc(C#N)ccc3F)c(F)c2C#N)COC1(C)C"]
["155804970","N#CC[C@@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1"]
["MCULE-2840890735","Cc1c(F)cccc1-c1cc(C#N)ccc1N=C(O)C1COCC(=O)N1Cc1ccccc1"]
["MCULE-9908065720","COc1cccc(C#N)c1-c1cncnc1NC(=O)c1ccco1"]
["140540865","CCc1nnc(-c2cccc(NC(=O)C(=O)N(C)CCOc3ccccc3)c2)o1"]
["MCULE-8964211331","N#Cc1ccc(F)c(-c2ccc(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)nc2)c1"]
["MCULE-3720068704","N#Cc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2O)c1"]
["187935043","CC(C)N1CC2OC(CC(C)N3CCN4CCOCC4C3)CN(C)C2C1"]
["160256592","COc1ccc2c(c1N=C(O)C1COCCN1C)CCC2"]
["157226494","CC[C@H]1CNCCN1[C@H]1CCCOC1"]
["84565686","CCNC(c1cnn(CC)c1)C(C)(C)N1CCOCC1"]
["157237707","CC(C)N1CCO[C@@H](CN2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)C1"]
["135631600","CC(O)CC1COCCN1C(O)=NCCc1cn(C)c2cc(F)ccc12"]
["106101990","Cc1cccc2c1OC[C@H](O)[C@H]2N1CCN(CCO)CC1"]
["174081897","COc1cc2c(cc1OC[C@H]1CN3CCOC[C@H]3CO1)NCNC2=N"]
["106196049","CCNCCC[C@H](C)N1CC[C@H](N2CCCC2)C1"]
["139789480","CCc1oc(C(=O)NC(C)C2CCOCC2)cc1C"]
["MCULE-4579568789","CCCOc1ccc(-c2cnn(C(C)C(=O)N3CCC(N4CCOCC4)CC3)c2)cc1"]
["157971745","C[C@@H](C(=N)N)N1CCOC[C@H](O)C1"]
["170134640","CCCC[N+]1(C)Cc2cc(C3C=CC=CC3C)c3c(c2C1C)OC1NC(C2C=CC=CC2)C=CC31"]
["95177989","CCCCN(c1nc(OC)ccc1N)C1CC1"]
["59466988","CCCCOc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\\[C@H](C)[C@H](C)OC2=O"]
["97098375","CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OP(=O)(O)O)[C@H](O[C@H]3[C@@H](CC(=O)O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@@H]3OC)O[C@@H]2C)C[C@@]1(C)OC(=O)CC"]
["33592707","CC[C@H]1C[C@@H](C)C(O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](N(C)C)[C@H]1O"]
["82484027","CCOCCN=C(O)NC1CCCCC1C(=O)N1CCC2C(C3C=CC=CC3)Nc3ccccc3C21"]
["132483972","CCCCN(C)CC1CCN(Cc2cc(C)cc(OC)c2O)CC1"]
["93605262","CC1Cc2nc(-c3ccnn3C)[nH]c2CC1C"]
["34519374","[2H]C1=C(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[C@]2([2H])[C@@H]1c1c(O)cc(CCCCC)cc1OC2(C)C"]
["169636014","CC1C=C(C2=CC(c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC(c3cc4ccccc4c4c3C=CCC4)=C2)N=CC1C1C=CC=CC1"]
["150012113","CCCCCc1cc(O)c2c(c1O)OC(C)C1=C2CC(C)CC1"]
["45974052","CCCC[N+]1(C)CCCC1C(O)(Cc1ccccc1)Cc1ccccc1.[I-]"]
["101098474","C(#Cc1csc(=C2Sc3ccccc3S2)c1=c1c(C#Cc2ccc3c(c2)=[O+]CCOCCOCCOCC[O+]=3)csc1=C1Sc2ccccc2S1)c1ccc2c(c1)OCCOCCOCCOCCO2"]
["90298418","CN(C)C(=O)C(OC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1"]
["109658356","Cc1ccc(NC(O)=Nc2ccccc2)cc1N=C(O)/C=C/c1ccc2c(c1)OCCO2"]
["97125006","OC(Cc1cc2ccccc2c2ccccc12)=Nc1ccc2c(c1)OCCOCCOCCOCCO2"]
["MCULE-2330163345","OC(CCCc1ccc(-c2ccncc2)cc1)=Nc1ccc2c(c1)OCCO2"]
["80730963","COCCCCN=C(O)NC(C)c1ccc2c(c1)OCCO2"]
["81693452","OC(c1c(Br)ccc2c1OCO2)c1ccc(F)c2cnccc12"]
["166304747","CN(CC(O)=NC1(c2ccc3c(c2)OCCO3)CCCC1)Cc1ccc(Cl)s1"]
["43373256","O=C(C1COc2ccccc2O1)N(CCN1CCCC1)Cc1ccc2c(c1)OCCO2"]
["52845646","COc1ccccc1C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O"]
["10949815","COc1cc(NC(O)=Nc2ccc3c(c2)OCCO3)cc2sc(N=C(C)O)nc12"]
["30431432","N=C(O)c1cccc2ncc(-c3ccc4c(c3)OCCO4)nc12"]
["179250567","CCNC(=N)NC1=NC2C=C(C3=CI=C(NCC)C=C3)C=[C-]C2=I1"]
["113231652","CCCc1nc2cc(N)ccc2n1CCS(=O)(=O)NC"]
["174310198","CC.CCOC1=NC2C=C(C=CC(OC)=C2Br)C(O[C@@H]2CC(C(=N)O)N(C)C2)=C1.CSN=C(O)C1CC1/C=C\\CCCCC[C@@H](C=O)N=C(O)OC1CCCC1"]
["176196537","C=C[CH+]C(=O)NC(CN=C(O)[CH+]C=C)C(O)=NCCCCC(CC[Si](C)(C)C)C(=O)OCC"]
["113863667","CCNC(C)c1nnc(N(CC(=N)O)CC(C)C)o1"]
["182684311","CCNC(=N)Nc1ccc(CCN=[N+]=[N-])c(OC)c1"]
["148767194","CCNC[C@@]1(Cc2nn[nH]n2)C[C@@H]2CC(CC)=C[C@@H]21"]
["128250151","CCN(C(=O)Nc1cc(C)nn1-c1ccccn1)C1CCS(=O)(=O)C1"]
["118570738","CCc1cccc(NC(=N)NCc2cc(C(CC)CC)no2)c1.I"]
["58723173","CCNC(=N)NCc1cnn(C)c1"]
["178949615","OCCN1C=CC(O)=NC1O"]
["88683476","COc1nc2sccn2c1CNC(C)CCO"]
["199383092","Cc1cc2c(cc1C)N=Cc1ccc([n-]1)C(C)(C)c1ccc([n-]1)C=Nc1cc(C)c(C)cc1[N-]/C=C1/C=CC(=N1)C(C)(C)c1ccc([n-]1)C=N2.[Cu+2].[Cu+2]"]
["129967783","CCc1nc(CS(=O)CC(O)=NC(C)c2ccc(C)c(C)c2)cs1"]
["MCULE-9291900152","Cc1ccc(C(O)=Nc2cc(C)c(-c3ccc(C#N)s3)cc2C)nc1"]
["45942032","Cc1nnc(O)nc1NN/C=C1\\C=Nc2ccccc21"]
["51371361","CNCCn1nnnc1SCc1ccc(OC)c(F)c1"]
["42847599","CCCCOC1=CC(=O)/C(=C2\\NC(c3ccc(OCCCC)cc3OCCCC)=N/C(=C3/C=CC(C)=CC3=O)N2)C=C1"]
["3010722","Cc1ccc(CSc2nccn2C)cc1C"]
["51297187","Cc1cc(C#N)cc2c1NC(=C1C(=O)N=CC=C1NC(CO)Cc1ccncc1)N2"]
["97845668","Cc1cc2c(cc1C)Nc1c(cnc3ccccc13)C(C(F)(F)F)=N2"]
["185791748","CC1=Nc2ccccc2C(c2cc(C)cc(C)c2C)[N+]1(C)C"]
["97100993","C=C[Si]1(C)Oc2c(cccc2OC)/C=N/c2ccc(C)cc2/N=C/c2cccc(OC)c2O1"]
["109331528","CC[C@H](N[C@H](C)c1ccc(C)c(C)c1)C(C)C"]
["178200575","CC1C[P+]2(CCC[C@@H]2C)N(c2cc(N([P+]3(CI)C[C@@H](C)C[C@@H]3C)[P+]3(C)[C@@H](C)CC[C@@H]3C)cc(N3[P+]4(C[P+]35[C@@H](C)CC[C@@H]5C)[C@@H](C)CC[C@@H]4C)c2)[P+]2([C@@H]1C)[C@@H](C)CC[C@@H]2C"]
["95922283","CCc1cc(C(NN)C2CCC(C)C(C)C2)n(C)n1"]
["20810026","CCCN(CC(=O)Nc1cc[nH+]n1C1CCCC1)CC(=O)N(C)C"]
["94842291","CC(CN)N(C)Cc1ccn(C2CCCC2)n1"]
["152316222","COc1cc(/C=C2\\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc(I)c1OC"]
["109833436","COc1ccccc1NS(=O)(=O)c1cc(C(O)=NC[C@@H](C)N2CCC(C)CC2)ccc1C"]
["CSSS03536482270","COc1ccc(CNC2C(C)CCC2C)nc1OC"]
["150834501","CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cncc(N2CCOCC2)c1"]
["50354018","C[C@@H]1CN(Cc2c(F)cccc2F)C[C@H]1c1nc2n(C3CCCC3)[nH]cc-2c(=O)n1"]
["112868847","Cc1sc(CO)cc1S(=O)(=O)NCC1CCCCC1C"]
["107356206","COc1ccc(OC)c(CN2CCN(C(O)=N[C@H]3CCC[C@@H]3C)CC2)c1"]
["53876207","Cc1cc(=O)n(CCNC2CCCCC2C)cn1"]
["150373100","[C-]#[N+]c1sc([N+]#[N+]C2=C(NCCCO)NC(NCCC[O-])=C(C#N)C2C)c(C#N)c1C"]
["50087872","CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(-c2cc(Cl)ccc2Cl)o1"]
["46869454","CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(Br)ccc1OCC(=O)O"]
["3445815","CCOC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F"]
["53580685","Cc1c(F)cccc1NCCCO"]
["20822765","COCCCn1c(C)c(C)c(C#N)c1N=C(O)CN1CCC(C#[NH+])CC1"]
["175417265","CC1=C(C#N)C(S)C(C#N)=C(c2ccc(F)cc2)N1"]
["MCULE-2361316663","CC1CCCCC1N1C(=O)C(NCCCO)=C(c2c[nH]c3ccccc23)C1=O"]
["73808349","Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(C)c(C)c1OCCCO"]
["112683359","CCS(=O)(=O)CCNc1sc(C(=N)O)c(N)c1C#N"]
["179479177","COCC1NC(C)=C(C#N)C(c2ccc(F)cc2)C1(C(=O)[O-])C(C)C"]
["113193136","Cc1cc(=NC2(CO)CCOCC2)c(C#N)c(C)[nH]1"]
["180040985","Fc1cccc2c1NC(CNC1C3C=Nc4[nH]cnc4C31)C(C1=CC=CCC1Cl)=N2"]
["85379146","CCCNC1C(CN(C)c2ccccc2F)CCC1(C)C"]
["82181508","Cc1ncc(OCC2(C3C=CC=CC3)CC2C(O)=Nc2ccnc(F)c2)c(C)n1"]
["43526962","C1=CC2C(=Nc3ccccc32)C(c2ncc3nccnc3n2)=C1"]
["92308054","CC(CC1CC1)n1nnnc1-c1cccc(N)c1Cl"]
["133462188","COc1cccc(F)c1NC(O)=NC1CCc2nnc(C(C)C)n2C1"]
["66378251","Fc1ccc(Sc2nc[nH]n2)c(CNC2CC2)c1"]
["94351450","FCCCOc1c(F)cccc1CNC1CC1"]
["178409684","Fc1ccc(C2N=C(C3=CC=C(C4=CC=C(c5ccc(-p6c7ccccc7c7ccccc76)cc5)CC4)CC3)[NH+]=C(c3ccccc3)N2)cc1.[U]"]
["109110382","CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NC(SCc3ccccc3)=NC2=N1"]
["30221690","Fc1cccc2c1COC21CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1"]
["170050972","Cc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@@]12CN(S(=O)(=O)NCC(C)C)C[C@@H]1[C@H]2C1C=CC=CC1"]
["182644944","[C]#[B-]C(C=[As]1=CCC[B+]1)(N=[N+]=[N-])C1B=C=PC1.[Sb]"]
["182707602","[N-]=[N+]=NC(C1CCCCC1)(C1CCCCC1)C1CCCC1"]
["183410428","[N-]=[N+]=NOC(C=C(Br)Br)(OCC=CBr)OCC(Br)=CBr"]
["183955886","CCCCCCC(C)C(N=[N+]=[N-])(C(C)CCC)C(CCC)CCCC"]
["181383154","[N-]=[N+]=NC(NC1CC1)(SC1CC1)C1CC1"]
["101601531","C[C@@](N=[N+]=[N-])(c1ccccc1F)[C@H]1OCC(F)(F)[C@H]1O"]
["183790274","CC1=CC(N(N=[N+]=[N-])C(C)(C)C[SiH3])C=C1C"]
["185705219","CC(O)(N=[N+]=[N-])C1COc2ccccc2O1"]
["182252279","CC(C)(C)c1cn2cccc(N=[N+]=[N-])c2n1"]
["182317430","CCC(CC)(N=[N+]=[N-])C1CCNCC1"]
["70643942","CC(=CCO[Si](C)(C)C(C)(C)C)CCC(OS(C)(=O)=O)C(C)(C)N=[N+]=[N-]"]
["183472145","[N-]=[N+]=Nc1cn([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)nn1"]
["172628730","CC(C)=[Si]=C1C(c2ccc(C)o2)=C(Cl)c2c1ccc(Cl)c2-c1cc2c(c3ccccc13)=C[CH][CH-]C=2.Cc1ccc(-c2cc3cccc(-c4cc5ccccc5c5ccccc45)[c-]3c2)o1.[Hf]"]
["178089228","O=C1/C(=C/c2ccc3cc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)ccc3c2)C(O)c2cc3ccccc3cc21"]
["169602825","c1cccc(-c2ccccc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c#1"]
["190828553","c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc5nc(-c6cc7cccnc7c7ncccc67)ccc5c4)ccc3n1)c1ccccc12.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7nc(-c8cc9cccnc9c9ncccc89)ccc7c6)ccc5n4)cc3)nc12"]
["145745065","Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3c4cccc5c4c(cc3c3ccccc23)-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc2O5)c(C)c1"]
["66460941","Cc1ccc(-c2nn(C)c(N)c2-c2ccc(Cl)c(Cl)c2)o1"]
["171415280","CC(C)c1cc(-c2ccc3cc(-c4c5cc(C(C)(C)C)ccc5c(-c5cc6ccccc6c6ccccc56)c5cc(C(C)(C)C)ccc45)ccc3c2)cc(C(C)C)c1"]
["177883320","CC1(C)c2ccccc2-c2cc3ccccc3c(-c3cccc4c3c3cccc5c6c(-c7c8c(cc9ccccc79)-c7ccccc7C8(C)C)cccc6n4c35)c21"]
["187717281","c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c1"]
["196832719","CN1CCCC1.COc1nc(N2CC3CCC(C2)N3)c2cc(Cl)c(-c3cc(O)cc4ccccc34)c(F)c2n1"]
["MCULE-8957566195","Cc1ccc(-c2cc(C)c(N=C(O)c3ccon3)cc2C)o1"]
["170215883","CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)c21"]
["191083954","C1=Cc2ccc3c4c2N2C1=C1C5=[N+]6c7c(cn(c71)C21N4C(=C2C4=[N+]7c8c(cn1c82)-c1ccc2ccc8c9c2[n+]1C71N9C(=C2C7=C9C(=C%10C=Cc%11ccc%12c%13c%11N%10C%10%11N%13C(=C%13C=[NH+]c%14cc(n%10c%14%13)CC2=[N+]9%11)C=C%12)C(=[N+]71)C4)C=C8)C=C3)-c1ccc2ccc3c4c2[n+]1C61N4C(=C2C=[NH+]c4cc(n1c42)C5)C=C3"]
["192198302","C1=Cc2ccc3c4c2N2C1=c1c5c(cc6c1=[N+]1C(=CC7=Cc8c9c%10c(cc%11n%10C%10%12N%13C(=c%14c%15c(cc%16c%14=[N+]%10C(=C%11)C=%16)[NH+]=CC=%15)C=Cc%10ccc%11ccc-9[n+]%12c%11c%10%13)c9c8=[N+]7C21N4C=9C=C3)C=6)[NH+]=CC=5"]
["191821834","C1=Cc2ccc3ccc4[n+]5c3c2N2C1=C1C=[NH+]c3ccn(c31)C25n1cc2c3c1c-4cn3C13N4C(=C5C=[NH+]c6ccn1c65)C=Cc1ccc5ccc-2[n+]3c5c14"]
["193193660","C1=c2cccc3c2=[N+]2C1=C(c1ccccc1)c1cc4cccc5c4n1C21n2c-5ccc4c5nc(-c6cc(C7=[NH+]c8c(c9ccc%10[n+]%11c9c9c8ccc8[n+]9C%119n%11c(cc%12cccc-8c%12%11)C(c8ccccc8)=C8C=c%11cccc-%10c%11=[N+]89)C7)cc(-c7nc8c9ccc%10n%11c9c9c(ccc%12[n+]9C%119n%11c(cc%13cccc-%10c%13%11)C(c%10ccccc%10)c%10cc%11cccc-%12c%11n%109)c8[nH+]7)c6)nc5c5ccc-3[n+]1c5c42"]
["193078573","C1=Cc2c3c4c(cc2=[NH+]1)C=C[N+]=4C12N4C(=c5c6ccn7c6c(c6ccn1c56)=C1C=Cc5ccc6ccc[n+]8c6c5N1C78)C=Cc1ccc5ccc-3[n+]2c5c14"]
["190365723","c1ccc2c(c1)Cc1cc3c4c5c1C2c1ccc2c6c1C51[n+]5c(ccc7c5C6c5c(cccc5C7)C2)-c2ccc5c([n+]21)C4c1c(cccc1C5)C3"]
["194144214","C1=CC2=[N+]3C1=c1ccc4c5c1N1c6c7c(c8nc9cccc%10c9[n+]9c8c6=[N+]5C95n6c(ccc6-%10)CC6=[N+]5C=4C=C6)=Nc4cccc5c4N7C13n1c(ccc1-5)C2"]
["193830672","C1=C2c3cccc4cc5n(c34)C34N2c2c(c6c(c7ccc([n+]3c27)-c2cccc3cc(n4c23)C5c2ccccc2)CC(=c2ccc(=C3N=c4c(c5ccc7[n+]8c5c5c4ccc4[n+]5C85n8c(cc9cccc-4c98)C(c4ccccc4)c4cc8cccc-7c8n45)=N3)cc2)[NH+]=6)=C1"]
["179156544","CCC1[N+]2=NC(C(F)(F)F)=NC2=C2C=Cc3ccc4ccc[n+]5c4c3N2[C@@]15CC"]
["192494565","C1=c2cccc3c2=[N+]2C1=C(c1ccccc1)c1cc4cccc5c4n1C21n2c-5ccc4c5nc(-c6cc(C7=[NH+]c8c(c9ccc%10[n+]%11c9c9c8ccc8[n+]9C%119n%11c(cc%12cccc-8c%12%11)C(c8ccccc8)=C8C=c%11cccc-%10c%11=[N+]89)C7)cc(-c7nc8c9ccc%10n%11c9c9c(ccc%12[n+]9C%119n%11c(cc%13cccc-%10c%13%11)C(c%10ccccc%10)=C%10C=c%11cccc-%12c%11=[N+]%109)c8[nH+]7)c6)nc5c5ccc-3[n+]1c5c42"]
["184801222","C=Cc1ccc2ccc(-c3ccc(C=[N+]=C4C=CC(=C5C=CC(=NC=c6ccc(=C7C=Cc8ccc(/C=C\\C)c(N(C)C)c8N7C)cc6)C=C5)C=C4)cc3)[n+](C)c2c1N(C)C"]
["192164883","C1=Cc2ccc3c4c2N2C1=C1C5=C6C(=C7C=Cc8ccc9c%10c8N7C78N%10C(=C%10C%11=C%12C(=C%13C=Cc%14ccc%15c%16c%14N%13C%13%14N%16C(=C%16C%17=C%18C(=C%19C=Cc%20ccc%21c%22c%20N%19C%19%20N%22C(=C%22C=[NH+]c%23cc(n%19c%23%22)CC%16=[N+]%18%20)C=C%21)C(=[N+]%17%13)CC%10=[N+]%12%14)C=C%15)C(=[N+]%117)CC1=[N+]68)C=C9)C1=[N+]5C25N4C(=C2C=[NH+]c4cc(n5c42)C1)C=C3"]
["98422800","COCN1C(=O)N(COC2CSC(OCCN3C(=O)N(COC)C4C3N(COC)C(=O)N4C(C)C)CS2)C2C1CC(CCCOCCC1CCC(=O)N(CCOC(C)C)C(=O)N(CCO)C1=O)C(=O)N2COC"]
["90836951","COCOC1CC(CCCOCc2ccc(OC)cc2)OC(=O)c2c(cccc2OC)CC=CCC1C"]
["193422307","O=C1N=C(O)CCC1N1C(=O)c2ccc(OCCOCCOCCOc3ccc(-n4cc(-c5ccc6c(c5)CC/C6=N/O)c(-c5ccncc5)n4)cc3)cc2C1=O"]
["182061234","CC1CCC(C(O)CC2CCC(O)=NC2=O)C(C)C1"]
["130977351","CCN1C(=O)CCc2cc(NC(C)c3cccnc3Cl)ccc21"]
["77063243","C=CCCCOC(=O)C1C2CCC3(O2)C1C(=O)N(CCO)C3C(=O)N(CC=C)c1ccc(OC)cc1"]
["175800558","COCCN1C(=O)CCC(N2Cc3ccc(OC)c(N)c3C2)C1=O"]
["54667378","CCOC(=O)[C@@H]1[C@@H]2CCC3(O2)C(C(O)=NC(C)C)N(CCCCO)C(=O)[C@H]13"]
["MCULE-2098708282","CC(C)OCCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2cc(F)cc(F)c2)C1=O"]
["180782191","COC(=C1C2CCCC1C(CCCC1CCCC3=C1C1CCCC(C3)C1(C)C(OC)C1=CC=C(Cl)C(C)(OP(=O)(O)O)C1)C1=C2CCCC1)c1cccc(OP(=O)(O)O)c1"]
["127394855","CC(C)OCCN1CCC(N=C(O)C2CSc3ccccc32)CC1"]
["183150134","CC(C)OCCOC1SSN=C1C1=CCCN(C)C1"]
["184195169","CC1CC(C(C)(C)C)C(OC(=O)c2c(C(C)C)c(C=C3[NH+]=C(NC(O)CCCCSC(CC(=O)O)C(=O)O)C(C(O)OC4C(C(C)(C)C)CC(C)CC4C(C)(C)C)=C3C(C)C)n(C)c2[N-]C(=O)C(C)SCCCOC(O)C(C)(CC(C)(C)C)C(C)(C)C)C(C(C)(C)C)C1.[Zn]"]
["98174501","COC(=O)C=C(CSc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl)OC"]
["184807478","CC(C)(C)[Si](C)(C)OC[C@@]1(C)CN([B]C=O)c2c(C#N)cc(-c3ccnc(Nc4cccnc4OCC4CC4)n3)cc21"]
["67502282","CSCCC(N=C(O)C1CCCN1)C(O)=NC(C(O)=NC(CCCCN)C(=O)O)C(C)C"]
["50830741","[C-]#[N+]c1cn2[nH]c(-c3cc(NS(=O)Oc4ccccc4Oc4ccc(S(=O)(=O)O)cc4)ccc3C)nc2c1C(=O)OC1C(C)CC(C)CC1C"]
["171061143","CC(OC(=O)OC1CCCCC1)OC(=O)C1=C(SC2CN=C(NC(=N)O)NC2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12"]
["82873331","CC(N)N=C(O)C(CC(=O)O)N=C(O)C1CCCCC1C(C)(C)C"]
["170714827","COc1ccccc1-c1cccc(C(O)=NCCCCOc2ccc3c(c2)C2(CCC(Nc4cccc(Cl)c4)(C(=O)O)CC2)[C@@H](C[C@@H](C)COc2ccnc4c2[C@H](C)CCC4)C3)c1"]
["169960243","CCC(C)COC(=O)N(C)Cc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(C)n2)nnn1C"]
["MCULE-2794095186","CC1CC(C)CN(C(=O)C=Cc2ccccc2OCCN2CCCC2)C1"]
["177975522","CC(I)OC(=O)N1CC(CN=C(O)c2cn(CCCCn3cc(C(O)=NCc4cccc(OC(F)(F)F)c4)nn3)nn2)C1"]
["MCULE-6202014354","COC(=O)c1c(C2CCCC2)nn(-c2c(C)ccnc2C(C)C)c1N"]
["29512921","CCc1c(-c2cc(N=c3cc(CC)n(C)[nH]3)c(=O)n(C)c2)cc(F)cc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O"]
["MCULE-7805654375","Cn1cc(-c2cccc(F)c2C#N)cc(N=C(O)C2CCN(C(=O)OC(C)(C)C)CC2)c1=O"]
["MCULE-6756569323","Cc1cc(C)c(CC(O)=Nc2cc(-c3ccccc3C(=N)O)cn(C)c2=O)c(C)c1"]
["187572176","CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(O)=N[C@H]4CC(C)(CC5C[C@@H](N6C(=N)NC(CC)(CC)CC6=O)c6cc(C(O)=N[C@@H]7CC(C)(C)Oc8ccc(F)cc87)ccc6O5)Oc5ccc(F)cc54)cc32)C(=N)N1"]
["198100914","Cn1c(=O)n(C2CCC(O)=NC2=O)c2cccc(CCCCCCN3CC4(CCN(c5ccc6c(c5)Cn5cc(-c7ccc(F)cc7)cc5-c5nccn5-6)C4)C3)c21"]
["MCULE-8701246584","CCOC(=O)N1CCC(C(O)=Nc2cc(-c3ccc(F)c(C#N)c3)cn(C)c2=O)CC1"]
["17298241","CCOc1ccccc1C(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12"]
["MCULE-9989162291","Cn1cc(-c2ccc(F)nc2)cc(N=C(O)C2CCC(=O)CC2)c1=O"]
["9234507","COCCOc1ccc(F)cc1N=C(O)CCN1C(=O)CCC1=O"]
["160377639","Cc1cc(N=C(O)N2C(C)CC2C)c(=O)n(C)c1"]
["MCULE-2193692424","Cc1cccc(C(O)=Nc2cc(-c3ccc(OCC(C)C)cc3)cn(C)c2=O)c1F"]
["181616204","CC(NC(=O)c1noc(C(C)(C)C)n1)c1ccc(-c2ncnc(N=c3ccn(C)[nH]3)n2)c(F)c1Cl"]
["180426753","CCC1C2C[C@H]3C(C)C4C5C6[I-]C7C5C5C8C[C@@H]9C(C%10[I-]C%11C([I-]C%10C(C)[C@H]9C)C(C)C(C)C1C2C4C%11C63)C7C(C)C5[I-]C8[I-]C"]
["25897125","CCOC(=O)C1C2CC(C1C(O)=NCC(=O)O)C1C3CC(C(C)C3C)C21"]
["180069158","CCC1C2CC[C@H]3C(C)C2C13"]
["150031002","CCC1C2C1C1C3C4C(C)C(C)C4C3C21"]
["179421738","CCC1C(C)C2CC3CC1C3(C)C2(C)C"]
["179416970","CCC1[C@@H]2CCC(C)C(C3CCC3C[C@H](C)CC)C3C[C@@H](C32)[C@H]1C"]
["174065826","CCC1CC2C(CC(C)C=O)C1[C@H]2C"]
["178865418","CCC1C(C)CC(C)C2C1C(C)[C@@H]2C"]
["178206329","CCC1C2C3C4CC5CC(C2C3C4C)C51C"]
["184249115","CC1C(CC(C2=CC2)C2C3CCC2C3)C1C1CC2C3C(C)C(C)C3C12"]
["148758195","CCC1C2CC(C(C)C2C)C1CN"]
["179849799","CCC(C)CC1CC2C3C4CCC5C(CC)C(C54)C2C13"]
["62139850","CC1[CH][SiH](C)N[SiH](C)N1"]
["97552128","C[C@@H]1NCCCN[C@@H](C)c2cccc(n2)[C@H](C)NCCCN[C@@H](C)c2cccc1n2"]
["63495543","CC1N[CH]OC1C"]
["75196902","CC1C=NCC(C)N1"]
["78997870","CC1[CH]NCCN1"]
["98194596","CC.CC1C[SiH2]N[SiH](C)N1"]
["178355611","CC1C=C[SiH2]C1"]
["103829504","Cc1ccc2c(c1C)NC[C@@H](C)C2"]
["180557275","CC1NC2=CCC13CC23"]
["66068318","CC1CC=CNO1"]
["195592121","CC(C)N1C(C)c2ccccc2C1C"]
["185818297","C[C@H]1C=CNC1"]
["91657945","C[Si](C)C#C[Si](C)=C=C=[Si](C)C"]
["34672258","C[Si](C)C#C[Si](C)(C)C"]
["83062171","C[Si](C)(C)[Si](=C=C=[Si]([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["69528335","C[B-](P)=IS"]
["100315860","C[Si](C)ONC=C=Cc1ccccc1"]
["168584589","C[Si](O)=[Si](O)[Si](O)=[Si](C)O"]
["192560090","C[Si](C)C#Cc1ccccn1"]
["56962447","C[Si](C)C#Cc1ccccc1.[Y]"]
["58465159","C=C[Si](C)(C)N(C(=O)O)[Si](C)C"]
["91135403","C[Si](C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)O"]
["190049564","C#C[Si](C)C.C[Ge](C)C"]
["199461664","C[Si](C)C#CCI"]
["195607471","C/C=C\\C(Br)=C/C=C/C12CC3C4CC5(C)CC(C(C1)C3(/C=C/C=C\\C(=C/C)C13CC6(/C=C/C=C(Br)\\C=C/C)CC7C1CC1(C)CC3C(C6)C7(C)C1)C5)C4(C)C2"]
["173732813","C=C/C=C(Br)\\C=C/C.CCCCCCCCC1(CCCCCCCC)c2cc(Nc3c(O)c(O)c4c(c3O)C(C)(C)C(C)(C)C4(C)C)ccc2-c2ccc(N(c3ccc(Br)cc3)c3c(O)c(O)c4c(c3O)C(C)(C)C(C)(C)C4(C)C)cc21"]
["186548514","C[C@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@]2(C)/C1=C(\\O)C=O"]
["175748077","C/C=C\\C=C(SN(C)C(C)(C)C)/C(Br)=C\\C.CC1CC2CC(CC(C)(N=O)C2)C1N=CO"]
["175915746","C/C=C\\C(=C/CC)I=C(O)OOOC(O)=IC1CC(C)(C)CC(C)(CC)C1"]
["194991687","CC(=CC=CC1(C)CCC(Br)C(C)(C)C1)C1CCC(C)(O)C(Br)C1"]
["159171969","C/C=C/[C@H](NC)[C@]1(C)C[C@@H]1F"]
["178939621","C/C=C\\C(Br)=C\\NNC"]
["SN0366238-04","Cc1ccc(C2(C)CCC(C)/C2=C\\Br)c(O)c1"]
["89592808","O=C(O)C(=O)/C=C/C=C/C12CC3CC(CC(C3)C1)C2"]
["171510511","C=C/C=C(Br)\\C=C\\C1(COI)CC(F)(F)C1"]
["192497158","C=C/C=C(Br)\\C=C\\C.C=C/C=C(Br)\\C=C\\CC(=C)O.CC=C(C)C"]
["97559669","CC(C)(C)[SiH2][Si]1([SiH2]C(C)(C)C)N([SiH](C(C)(C)C)C(C)(C)C)N=NN1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["60249491","CO[Si](C)(C)CC(C)(C)CF"]
["114770053","CC(C)(C)c1cc(C(=O)N2CCC[C@H]2CO)cc(Cl)n1"]
["97635409","CC(C)(C)[Si](C)(C)N1O[Si](C)(C(C)(C)C)N([Si](C)(C)C(C)(C)C)O[Si]1(C)C(C)(C)C"]
["103047280","CC/C(C[Si](C)(C)C(C)(C)C)=N/N1CCC[C@@H]1COC"]
["59246657","Cn1cc([B]OC(C)(C)C(C)(C)P)cn1"]
["88595910","Cc1nn(C)cc1C(CN)N(C)CC(C)(C)C"]
["128603961","CN(CC1=CCCOC1)Cc1cn(C)nc1C(F)(F)F"]
["97301435","CC(C)[Si](NN[Si](F)(C(C)(C)C)C(C)(C)C)(C(C)C)C(C)(C)C"]
["97279658","C[SiH2]N([SiH2]C)N1[Si](F)(F)N([Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si]1(F)F"]
["79316393","[C]#C[SiH2]C(C)(C)C"]
["111717301","CC1(O)CCN(C(=O)c2cc(Cl)nc(C(C)(C)C)c2)C1"]
["188438807","C=CCC/C=C/C(/C=C/c1ncnc(C(C=C)CC=C)n1)CC(=C)C(=C)CCC=C"]
["186652639","C=C(c1cc[nH]c(=N)n1)N(C)C(/C=C\\CO)c1ccc(O)c(F)c1"]
["170669408","C=CCCC(=C)Cc1ccccc1N=C(C)O"]
["163729372","C=C(C(C)=O)/C(=C/NCc1cnc(CCC)c(O)c1)C(/C=C\\CCC)NC"]
["81763961","CNC(C1=CC2=NC(O)=NC2=CC1Br)C(F)(F)C(F)(F)F"]
["87278342","C=CCC(NC(=O)c1n[nH]c(CCC)n1)C(=O)O"]
["130402329","C=CCCCC(C)N=C(O)CCn1cc(S(N)(=O)=O)cn1"]
["130519533","C=CCCC(=O)CN1C(=O)C(CC)(C(C)C)N=C1O"]
["142090784","C=CCC(CO)N=C(O)NC(COc1ccccc1F)c1ccccc1"]
["175926941","C=CCC/C(C)=C/C=C(\\C)c1ccccc1.CC.CC"]
["101703166","C=CCC(/C=C/C)C(=N)O"]
["26365842","C=CCOc1ccc(OC(C(=O)C(C)(C)C)n2cncn2)cc1"]
["184344553","C1=CC2NP3(=NP4(=NP5Nc6cccc7cccc(c67)N=C5N3)Nc3cccc5cccc(c35)N4)Nc3cccc(c32)C1"]
["175754152","CNc1ccc(C2Nc3cccc4cccc(c34)N2)cc1"]
["183427068","O=C1CC2=Nc3ccccc3C2C[C@H]1c1cccc(F)c1-c1cccc2c1C=CC2"]
["128991710","Cc1ncsc1CCOC(=O)CCC1Cc2ccccc2N=C1O"]
["135603835","OC(CCC1Cc2ccccc2N=C1O)=Nc1nc2c(s1)COCC2"]
["170639945","Cc1cccc(N=Nc2c(O)oc(-c3ccccc3)c2C2=Nc3cccc4cccc(c34)N2)c1"]
["21210293","O=C1C[C@@H](c2cccs2)C=C2N=C3[NH+]=CNN3[C@H](c3cccc4ccccc34)[C@@H]12"]
["124863856","Cc1coc(-c2cc(N=C(O)CCC3Cc4ccccc4N=C3O)ccc2C)n1"]
["101043137","CC(=O)/C(C1=Nc2cccc3cccc(c23)NC1=O)=C(/O)c1ccc2ccccc2c1"]
["65892069","C=C(C)c1cccc(C(C)(C)NC(O)=Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1"]
["175810921","[B]C1([B+])CC([B+])(N2C(=O)c3c(cccc3NS)[N-][C-]2C)C(=O)N=C1[O-]"]
["67895664","COc1ccc2cc(COC(=O)CCC3Cc4ccccc4N=C3O)ccc2c1"]
["97904693","C1=CN=[SiH][NH2+]C=C1"]
["180941297","C1=C[NH2+]C=IC=C1"]
["195996493","O=C(Cl)C1=N[NH2+]C=C1"]
["79215841","[C]1=CC=CN=CO1"]
["25953486","[C]1=NC=CC=CN1"]
["192278685","C1=C[NH2+]C=C1.C1=C[NH2+]C=C1"]
["185278330","FC1(F)C=CC=CN=C1"]
["158703627","C1=CN=CNC=C1.c1cc2ccc3cccc4ccc(c1)c2c34"]
["178505045","C1=C[NH2+]C=CN=CN=C1"]
["192547866","Br.C1=C[NH2+]C=C1.O=P(=O)O"]
["180069372","C1=C[NH2+]NN=C1"]
["161839260","C1=C[NH2+]C=C1.O=[N+]([O-])[O-]"]
["173958410","IC1(I)CC1(I)[B]O[B]O[B]C1(I)OC1(I)I"]
["32407391","CO[C@]12CCC[C@H](C1)C(I)C(C)(C)OO2"]
["73887936","CS(=O)(=O)OC1(c2cnco2)C=CCCC1"]
["42406093","IC12CCC(I)(CC1)C2"]
["69681006","COC1(C)CC(C)(OC)OO1"]
["153739212","CO[C@]12CCC[C@@H](C1)[C@@H](I)C(C)(C)OO2"]
["56908904","C=CC1(C=C)C[Si](OC)(OC)[Si](OC)(OC)[Si](C=C)(OC)O1"]
["83995282","C[Si](C)(C)C#CC1(I)CC1"]
["33794731","CO[C@]12C[C@](I)(C1)C2"]
["25064141","IC12CC(I)(C1)C2"]
["178274615","C[C@H]1CN(C)CC12C[C@](C)(I)O2"]
["34513605","CO[C@]1(C)C[C@@](C)(OC)OO1"]
["191512593","C=C=C=C=CN=C=C=C=C(F)C=C=C"]
["173467688","[B]C(/C(C)=C\\C)=C(\\C)C=C=C"]
["196412492","C=CC1=C(C(=C)F)CC(O)CO1.CC#CC"]
["181320504","C=C=C=C(N=[N+]=[N-])c1ccccc1"]
["172488808","C=C=C(F)[C](F)F.[Al]"]
["76738655","C=C=C=C=C=C(F)C(C(F)=C=C=C=C=C)=C(C=CC)c1nnnn1C"]
["174520433","C=C=C=CC.FC(F)=C(F)F"]
["99712289","[B][C@@H]1O[C@H](CO)[C@](C)(O)C1(F)C=C=C"]
["46854427","CC(=O)C(F)(F)CCOC=C=C=C=C(F)F"]
["75596290","C=C=CC(=O)c1ccc(N=[N+]=[N-])cc1"]
["99001863","C=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@H](C)N=C(O)C=Cc1ccccc1"]
["45249110","C=C=CN=C(O)OC"]
["168623778","[CH2]C1(C)C(C)(C)[N-][Si]#[Si]C1(C)C.[Li+]"]
["159206516","CC1(C)C[C@H]1[C@@H]1CC(=O)CO1"]
["100852799","CC12CCC(=O)C=S1CCS2"]
["178981182","CC1(C)C=CC=CC2=C1OCO2"]
["101226509","C=C(C)COC1(C)C=C(C)C(=O)C(C)=C1"]
["26375863","CC1=CC(C)(C(Cl)(Cl)Cl)C=C(C)C1=O"]
["79513701","CC1(C)C=CC(C)(C)[N-]1.[Li+]"]
["178705478","C=ICC1(C)CCCC1"]
["75641326","CC1(Br)CS(=O)C1"]
["75223884","C=CC1(C)CCOC1=O"]
["97601137","CC1(C)OC2CCCCCCCC(=O)OCCCCCCC2O1"]
["195772919","CC1(C)O[B-][OH+][I]1(C)C"]
["182094977","O=S(P(O[I+][O-])I(=O)=O)P(O[I+][O-])I(=O)=O"]
["66677337","O=S(O)OC=CC(S)S"]
["169905278","O=S([O-])OC1CCCCC1.[Cd]"]
["67260110","O=S([O-])C1(F)C2C=CC(O2)C1(F)F"]
["99769620","C[C@]1(O)CCCC[C@H]1OS(=O)[O-]"]
["180430987","CC1C=C(C(=O)O)C=CC1S(=O)O"]
["79750452","O=S([O-])OF.[K+]"]
["197147356","COC(=O)C1CC(S(=O)[O-])C1.[Na+]"]
["175013431","CCO[I+][O-]"]
["175127795","O=S(O)N=C([O-])ON1CCC(C(F)(F)F)CC1"]
["145244240","CC(OS(=O)[O-])C(COS(=O)(=O)O)OS(=O)(=O)O"]
["175741658","[2H]CC(C)(C)S(N)=O"]
["53199407","[CH2-]C1CCC2[B]C1CCC2.[Li+]"]
["45990655","COC(=O)[C@@H](NC(C)C1CCCCC1)C(C)C"]
["179435732","C1CCC(C2CCC3(CCCC3)CC2)C1"]
["133288950","c1ccc(N(CC2CCC2)CC2OCCO2)cc1"]
["113237563","CC(C)C(NC1CCCC1S(C)(=O)=O)C(=N)O"]
["184726015","CC.CCC.[B]1O[C@H]2CCC[C@H]2O1"]
["154787215","Cc1nnc(N(C)C2CCC2)s1"]
["173061092","[B]C1CC[C-](OC([CH2-])[CH2-])CC1.[U].[V+2]"]
["171608763","CC1(C(O)=NC(CC2CC2)C(C)(C)C)CCC1"]
["47854693","Cl.N[C@@H]1CCC[C@@H](O)C1"]
["184608363","C=IC1CCC(C2CCCC2)C1"]
["61773680","C[C@H]1CCC2CCCC2C1"]
["55798942","C(#Cc1cncs1)CCNc1ncnc2sccc12"]
["87237941","COc1c(NN)ncnc1NCCOCCC(C)C"]
["86334890","CCCCC(C)Nc1ncnc(NCCC)c1CC"]
["198926151","CC(C)(CF)CNc1[nH]c(=NCc2cc3cnccc3[nH]2)nc2sccc12"]
["112312968","CCCNC(Cc1cncs1)Cc1cccc(F)c1F"]
["14404796","C[C@@H](Nc1ncnc2ccsc12)c1nccs1"]
["96409417","CC#CCC(NCCC)c1sccc1CC"]
["132886301","COc1ccc(C(C)CC(=O)N2CCN(c3ncnc4sccc34)CC2)cc1"]
["93125457","CNC(Cc1cncs1)c1sccc1Cl"]
["154860678","Oc1ccc(N2CCCCC2CNc2ncnc3cnccc23)nn1"]
["141299128","Cc1c(C(O)=NNc2ncnc3ccsc23)oc2c1C(=O)CCC2"]
["94810565","Cn1nccc1C#CCCCCl"]
["170509879","C1CS2=[Te](=[O+][Te]34#[S+](CCC3)CCC4)(C1)CCC2.F[B-](F)(F)F.F[B-](F)(F)F"]
["47012601","[CH2-]C(=S1CCCSC1)[S+]1CCCSC1"]
["161790445","CCO[S+]1CCC[Si](C)(C)C1C.F[B-](F)(F)F"]
["167228683","CC[S+]1CC[S+](CC)C12CCCCC2.F[B-](F)(F)F.F[B-](F)(F)F"]
["78592738","C1CCC2(CCCC2)[NH2+]C1.F[B-](F)(F)F"]
["189832140","F[B-](F)(F)F.Fc1c(F)c(F)c(-n2c[n+]3c([nH+]2)CCC3)c(F)c1F"]
["167244730","CC1=C(C)C[S+]2CCCSC2C1.F[B-](F)(F)F"]
["79198352","F[B-](F)(F)F.[NH2+]=CN1CCCC1"]
["170509880","C1CS2=[Te](=[O+][Te]34#[S+](CCC3)CCC4)(C1)CCC2"]
["170509878","O=S(=O)([O+]=[Te]12=S(CCC1)CCC2)C(F)(F)F"]
["187379736","C=C(N1C=CN(C)C1)N1C=CN(C)C1.F[B-](F)(F)F"]
["170509877","O=S(=O)([O+]=[Te]12=S(CCC1)CCC2)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]
["99549836","Cc1[nH]c(=C\\c2nccnc2C2C=NN=C2O)/c(=C2/C=NC=CN2)c1CCC(=O)c1ncc[nH]1"]
["23648929","CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(N3CCCCC3)CC2)c1C"]
["MCULE-5007941346","Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)Cc4c(C)[nH]c5ccc(C)cc45)C[C@H]3C2)nc1"]
["126741546","CCCc1c(C(O)=Nc2nc(-c3ccc(OC)cc3)n[nH]2)[nH]c(C)c1C(C)=O"]
["158167052","CSCCC(=O)N1CCC[C@H](N(C)Cc2nccc(=N)[nH]2)CC1"]
["175504875","Cc1ncc[nH]c1=O.O=CO"]
["110247603","CC[C@@H](CCN=C(O)CCc1c(C)[nH]c(-c2ccncc2)nc1=O)N1CCCC1=O"]
["68832443","CCCCC(=O)c1ccc(CCCCc2ncc[nH]2)cc1"]
["160620312","O=C(C1CCCO1)N1CCC(Cc2ncc[nH]2)CC1"]
["144418232","CC(=O)c1ccc(OCCCC(=O)N2CCC(Cn3ccnn3)CC2)cc1"]
["152593701","CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC"]
["155953617","COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1"]
["78616318","NOB(ON)C1=c2oc3c(c2=CC2C4=C(CCCC4)OC12)CCC=C3"]
["174880567","NS(=O)(=O)c1cc2c(o1)-c1ccc3c(c1CC2)CCC=C3"]
["184257438","NC1CC2=C(C=CCC2)C=N1"]
["56433966","C1=CC(=Cc2ccccc2)CCC1"]
["MCULE-7930000590","Nc1c2c(nc3c(-c4cc(C(F)(F)F)cc(Cl)n4)cnn13)CCCCC2"]
["180344046","O=C1C[C@@H](C(=O)O)CC2=C1CCC=C2"]
["184428581","O=C(O)C1=CC2=C(CCCC2)C(CC2C3=C(CCC=C3)CC(C(=O)O)C2O)C1O"]
["65973272","C1=Cc2c([nH]c3c2CCC=C3)CC1"]
["76492958","O=C1C2C3=C(CCCC3)SC2=[N+](Cc2ccc(F)cc2)C(=O)N1Cc1ccco1"]
["32194950","OC1C[C@@H](c2ccccc2)C2=C(CCc3ccccc32)O1"]
["178119074","C1=Cc2oc3cccc(-c4ncccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2CC1"]
["173853473","COC1=CC(C2C=c3c(sc4ccccc34)=CC2)NC(=C2CCC=CC2=O)N1"]
["99567860","FC(F)(F)C1CCNC(C(F)(F)F)CCNC(C(F)(F)F)CCNC(C(F)(F)F)CC[N-]1.[Ti]"]
["82013231","O=C1CCCC2NCCC2N1Cc1ccccc1C(F)(F)F"]
["198138776","Cl.OC(=NCC1CCNCC1)C1(C(F)(F)F)CC1"]
["MCULE-9792883950","Cc1c(O)cccc1Cn1nc(C2CC2)c(Br)c1C(F)(F)F"]
["174722662","CC(=O)O.Oc1cc([C@H]2CCN[C@@H](Cc3c(F)cccc3F)C2)on1"]
["43253037","CC(C)(C)C1CN(C2C=CS(=O)(=O)C2)CCN1"]
["197078261","CC(Cn1[nH]cnc1=O)C1CCCC(N=C(O)C2CCCC(C(F)(F)F)N2)C1"]
["157933445","C#C[C@@](C)(F)C[C@@H]1CCCN1"]
["80502194","Cc1ccccc1Nc1cc2c(cc1O)C13CCCCC1C(C2)NCC3.O=C(O)C(F)(F)F"]
["91425622","CCCCCCCC1CCCC(C(F)(F)F)N1"]
["49019411","CCc1ccc(C2CCN2)cc1"]
["173563094","C[Si](C)(C)C1=C(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)C(C(P)(C2CCCCN2)C2CCCCN2)=CC1[Si](C)(C)C"]
["172647867","C1=CCC2C(C1)CCCC2NCCOC1CCCC2CC=CCC21"]
["111095601","N=C(O)OCCN[C@H]1CCC[C@@H]1O"]
["180347462","CC(CCC(C)C1CCCC1C1CCC1)C1CC1"]
["MCULE-5480256890","CCOCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(C2CCCC2)C1=O"]
["75066687","COCOC1C2CC=C(C)/C(=C/C[C@H]3CCC[C@H](OCOC)C13)C2"]
["59514143","CCCNC1CCCCC1Cc1cc(Br)cs1"]
["105652127","CO[C@H]1CCC[C@@H]1NC[C@](C)(O)c1ccccc1"]
["85651864","CCOc1ncnc(NC2CCCC2OC)c1N"]
["105205076","CC[C@H]1CCCC[C@H]1NC[C@H](O)COCC1CC1"]
["155102396","Cc1ccccc1CCN[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O"]
["141995903","CCC(CC)S(=O)(=O)NCCOC1CCCCC1C"]
["55502369","CCCNC1CCCCC1CN1CC(C)OC(C)C1"]
["182342337","NCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO[SiH3]"]
["57510991","NOCOS(=O)[O-]"]
["190520635","CCCOCOC.COCOCCN.I"]
["24919947","CC(CN)COCCCOCC(C)CN"]
["193053466","CC(C)(C)OCCCCCOC(C)(C)C.CC(C)(C)OCOCOCOC(C)(C)C"]
["181685659","C=CC(=COCOCOCOCOCOC(OCC)(OCC)OCC)O[Si](CCCN)(OC)OC"]
["161661269","COCOC.Cl"]
["183970745","N#CCOCON=[N+]=[N-]"]
["91209290","OCOCOCOCOCOC[O+]1COCOC1"]
["191803059","COCOC(=N)CN.N=COCO.OCOCO"]
["181049395","CP([O-])([O-])([O-])CN"]
["79756730","CCOC(=O)CN.CCOC(=O)CN"]
["170934560","C=C1OC(O)C(O)C(O)C1NC1C=C(C=O)C(=O)C(O)C1O"]
["157238380","CCOC(=O)C1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21"]
["22966430","COC(=O)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(C)CC3)C2=O)cc1"]
["119963645","C=C(Br)CNCC(O)=Nc1cc(C(=O)O)ccc1Cl"]
["178400865","C=C1C=[C-]C(C=C(C)C)O1.[Y]"]
["162866207","COC(=O)[C@@H]1O[C@@H](O)c2ccccc21"]
["110559516","O=C1C=CC(=CNN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@@H]3CC2)C(O)=C1"]
["32212670","O=C1C=C2CC[C@H](O)C[C@H]2O1"]
["46277344","CNCN=C(O)O[C@@]12C#C/C=C\\C#C[C@H](OC)C(=CCC1)C2=O"]
["33771735","C=C1[C@H](n2ncc(O)nc2=O)O[C@H](CO)[C@H]1O"]
["103066504","O=CC1=CC(=O)C[C@H]1O"]
["173284170","O=C(O)C(CC1CCN(P)C1=O)NP"]
["96735069","[N-]CC[N+]1=C(C[N-])[CH+][N+]#[N+]1"]
["75727544","CCC=C1CS1(C)#SCC"]
["97793207","[N-]Cc1cc[n+](CCCC[n+]2c[cH+][c+](C[N-])[cH+][cH+]2)cc1"]
["185546485","O=C1CC2(CO)CC(=O)P1(=O)C(=O)C2"]
["157960060","CC[C@@H]1NCC(=O)N1[C@@H]1C[C@@H](C)[C@H]1C"]
["157926949","CC[C@@H]1NCC(=O)N1[C@H]1CC[C@@H]1C"]
["139122620","C=CCN1CCC(N=C(O)Nc2ccc(F)c(F)c2)CC1"]
["143357306","C=CCN1CCC(N=C(O)Cc2ccn(C)n2)CC1"]
["96913771","[N-]CCC(=O)[N+]1=c2ccc(cc2)=[S+][S+]=c2ccc(cc2)=[N+](C(=O)CC[N-])CCCC[N+](C(=O)CC[N-])=c2ccc(cc2)=[S+][S+]=c2ccc(cc2)=[N+](C(=O)CC[N-])CCCC1"]
["181501064","CCC1CCC(C(=O)[O-])N1C(=O)[O-]"]
["97832656","[N-]CCC[n+]1ccc(-[c+]2[cH+]c[n+](CCC[N-])[cH+][cH+]2)cc1"]
["99737484","CC/C=C1\\CS1(C)#SCC"]
["178923316","C[I]C(I)[c-]1[n-][cH-][c-](C([I]I)[I+]I)o1"]
["178929651","CC(I)[C@H]1O[B]NC1(C)C"]
["89536946","CC(=O)CN1C(=O)COCC1C(C)C"]
["179197174","C[I+]C(I)C1=C=CC[N-][CH-]1"]
["81120371","CCC(O)C1CC=CCN1"]
["163554609","COc1ccc(C2C(C#N)=C(N)OC(N)=C2C(C)=N)c(C)c1C"]
["146842556","C=C(C)CNC(=N)NCC1CCC=CO1.I"]
["78063489","[CH2]C(C)N1C(I)[C-](C)[n+]2c(C)[n-]c(I)c2C1(C)F.[K+]"]
["180017031","C[I]C[I-]C([I]C)N1CCC[C-]1[O-]"]
["63556319","CC[C@H](O)[C@@H]1CC=CCN1"]
["159115490","CC(C)[C@@H]1COC[C@@]1(N)C(=N)O"]
["178312394","[O-][N-]CC(I)[I+]I"]
["97650185","CC(C)(C)B1[O+]B(C(C)(C)C)[N+](C(C)(C)C)=C2B(C(C)(C)C)[O+]B(C(C)(C)C)[N+](C(C)(C)C)=C12"]
["156284773","CC1BCCB(C(C)(C)C)CC1"]
["100318046","CC(C)(C)[n+]1c[n+](C(C)(C)C)nc(-c2n[n+](C(C)(C)C)c[n+](C(C)(C)C)n2)n1"]
["83975604","CC(C)(C)OC1C2C3C2C2C1C32"]
["111792056","CC(C)(O)C(=O)N=c1ccc(O)n[nH]1"]
["66656239","CN1C[N+](C(C)(C)C)=C(C(C)(C)C)C1=O"]
["199813624","CC(C)(C)C1=[N+](C(C)(C)C)CC/C=C\\CC1"]
["109373889","CC(C)(C)[C@]12O[C@@H]1C(=O)[C@@]1(C(C)(C)C)O[C@H]1C2=O"]
["170517137","CC(C)(C)N1C(c2ccccc2)=[N+](C(C)(C)C)[Si-]123O[Si-]1(O2)(O[Si-]24(O[Si-]5(O2)(O3)N(C(C)(C)C)C(c2ccccc2)=[N+]5C(C)(C)C)N(C(C)(C)C)C(c2ccccc2)=[N+]4C(C)(C)C)N(C(C)(C)C)C(c2ccccc2)=[N+]1C(C)(C)C.Cc1ccccc1.Cc1ccccc1"]
["177917989","CC(C)(C)[N+]1=C2CP2CC1=O"]
["49300035","CC(C)(C)SP(C)(=S)[S-]"]
["68760057","CCC(O)(c1ccc(C(C)(C)C)cc1)C(C)C"]
["173640156","CC(C)(C)C1=C(C(P)(C2=CC=[C-]C[N-]2)C2=C[CH-][CH-]C[N-]2)C(=CP)C=C1.CC(C)(C)c1ccc[cH-]1.[Fe]"]
["185734171","CC(C)(C)c1ccc[cH-]1.[Zr]"]
["172448101","CC(C)(C)P(Cc1ccc[c-]1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)c1ccc[cH-]1.[Fe+2]"]
["42855772","CC(C)(C)P(c1ccc[cH-]1)C(C)(C)C"]
["172466333","BrC(Br)(Br)c1ccc[cH-]1.[Co]"]
["175210740","CC=C(C)C1=C(C(C)(C)C2=CC=CC[N-]2)C=CC=[C-]C1.[Sr+2].c1ccc(-c2nc3ccccc3[n-]2)[nH+]c1"]
["172268047","CC(C)=[Si]c1cccc2c1C(C1C=CC(C(C)(C)C)=C1)=C(C)C2Cl"]
["147353366","COc1cccc(COc2cccc(Cl)c2CNCC2CNCC2O)c1.Cl"]
["146479237","CC1CC(CN)CN1C(=O)CN=C(O)c1c(Cl)cccc1[N+](=O)[O-].Cl"]
["70113334","CCCCCCOC(=O)CNc1ccc(C=C2C(=O)ON=C2C(C)(C)C)cc1"]
["172571558","CCC(C)(C)P(c1ccc[cH-]1)C(C)(C)CC.CCC(C)(C)P(c1ccc[cH-]1)C(C)(C)CC.[Fe+2]"]
["155713667","Cc1c(C=O)c2ccccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3"]
["101032316","Ic1cn2[n+](c1)[BH2-][N+]1=CC(=[I+])C=[N+]1[BH2-]2"]
["115209839","CCC(O)c1ccc(-n2cc(I)cn2)cc1"]
["61780258","OC1=NCCN1CCn1cc(I)cn1"]
["170581196","Ic1cn2[n+](c1)[B@H-]1c3ccccc3[B@@H-]2n2cc(I)c[n+]21"]
["65835850","Ic1cnn(CCNCCc2ccsc2)c1"]
["54571568","CCOCn1cc(I)cn1"]
["170562452","Ic1cn2[n+](c1)[BH2-][n+]1cc(I)cn1[BH2-]2"]
["33317589","O=C(/C=C/c1ccccc1)n1cc(I)cn1"]
["167324656","CCOC(=O)C(Br)Cn1cc(I)cn1"]
["58337307","CS(=O)(=O)CCn1cc(I)cn1"]
["91998639","C#CCCCn1cc(I)cn1"]
["67727554","O=[N+]([O-])c1ccc(Cn2cc(I)cn2)c(Cl)c1"]
["99710061","[B]C12CC34CC56CC78CC9%10CC%11%12CC%13%14CC%15(O)C%16%17CC%18%19CC%20%21CC%22(CC%23%24CC%25(CC%26%27CC%28%29CC1%30[C@@]1(C(C53CC67[C@@H]3C(C)(C%119CC%12%13C[C@]%15%14[C@]%16(C)C%18%17)C38%10)C241)[C@@]%28%30[C@H]1C2(CC%25%262)C1%27%29)C%23[C@H]%24%22)C%201CC12CC%19%212"]
["78350783","BC12CC34CC56CC78CC9%10CC%11%12CC%13%14CC%15(O)C%16%17CC%18%19CC%20%21CC%22(CC%23%24CC%25(CC%26%27CC%28%29CC1%30[C@@]1(C(C53CC67[C@@H]3C(C)(C%119CC%12%13C[C@]%15%14[C@]%16(C)C%18%17)C38%10)C241)[C@@]%28%30[C@H]1C2(CC%25%262)C1%27%29)C%23[C@H]%24%22)C%201CC12CC%19%212"]
["178360190","CCC1CC(C)C2CC3CC4C5C6C(C1)C17CC89CC%10%11CC%12(C3C2%10C)C2C4C51C2(C68C7)C%12%119"]
["75769010","C=C[C@@H](C)CC(=O)[C@]1(O)[C@@H](C)C[C@H](O)[C@H]2C(C)(C)CC[C@](O)(OC(O)=NOC(=O)N(C)C)[C@@]21C"]
["178797413","CC(CC1C2C(O)C3CC4(COCC(F)(F)S(=O)(=O)O)CC12C34)C1(O)C2CC3(COCC(F)(F)S(=O)(=O)O)CC4(CC41)C23"]
["75178913","CCOCC1OCCOC23C[C@@]45CC[C@@H]6C(=CC[C@@]7(C)[C@@H]6CC[C@@]17O)[C@@]4(CC2OCCO3)O5"]
["98870784","CO[Si-]12(C)CCC[NH+]1CCN2"]
["90216771","COc1c(C)cc(C2CCCN2)c(O)c1C"]
["145001684","COc1cc(Cl)c(C2CNCCO2)c(O)c1OC"]
["23047830","COc1cc(OC)c([C@H]2CCCN2)cc1N"]
["54718414","COc1cc(C2N=C(O)C3C4=C(CCC4)SC3N2)cc(OC)c1OC"]
["24417039","CO[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O"]
["48700436","COc1cc(S(=O)[O-])cc(OC)c1OC.[Na+]"]
["93122281","COCCN(CCO)C(C)CC1CCCCN1"]
["54415882","COCCN(CC1CCCNC1)C(C)COC"]
["94205092","COCCCN(CCOC)C(C)CC1CCCCN1"]
["21450350","CCOC(=O)[C@H]1CCCC[NH+]1CCCOC"]
["20122430","C[NH+]1CCC[C@@H]1CCN[NH3+]"]
["194069488","N#CC(=S)C(C#N)=S=C(C#N)C(C#N)=C(C#N)[C-]=[N-]"]
["57843930","C/C(O)=C(\\C#N)C(=N)O"]
["157905305","CC(C)(C)C(=O)C(C#N)=C(N)N"]
["78525001","C/C(O)=C(\\C#N)C(=O)C(C)O"]
["91525345","N#CC(C(=S)N=C(c1ccccc1)c1ccccc1)=C(C#N)C(=S)N=C(c1ccccc1)c1ccccc1"]
["48783386","CCCOC(=O)/C(C#N)=C(\\N)C(CC)CSC"]
["198372627","CNNC(=N)/C(C#N)=C(\\NC(C)(C)C)S(C)(=O)=O"]
["172585995","CC(=CN)C(C)=C(C#N)C(=N)O"]
["97364496","N#C/C(C(=N)O)=C(/N)C(F)(F)F"]
["101713393","N#CC(S)=C(S)C#N.[Ag+].[Ag+]"]
["57624772","CSC(C#N)=C1C(=O)Nc2ccccc21"]
["168628231","C/C(O)=C(/C#N)C(=S)S"]
["26793225","[CH-]=C1C(C(Cl)Cl)=[C+]C=C(C(Cl)Cl)C1C(Cl)Cl"]
["MCULE-6276958757","CN=C(O)c1c(C2CCC2)nn(-c2ccc(=N)[nH]c2)c1C(F)F"]
["92438638","CC(C)n1ncc(Cl)c1C(NN)C1C2CCCC21"]
["194785251","[Br-].[CH-]=C1C(Cl)=CC(F)=CC1Cl.[Zn+2]"]
["63429685","CNC(Cc1ccccc1)CC(Cl)c1ccccc1"]
["199904222","Cl[P+](c1ccco1)(c1ccco1)c1ccco1"]
["68522784","Cc1c(O)c(O)c(Cl)c(Cl)c1C(Cl)Cl"]
["93923111","CC(C)n1ncc(Cl)c1C(NN)C1CCCCC1"]
["95354284","CC(C)n1ncc(Cl)c1C(NN)C1CCC1"]
["26634533","O=S(=O)(OS(=O)(=O)C(Cl)Cl)C(Cl)Cl"]
["56444346","ClC(Cl)c1cc(C(Cl)Cl)cc(C(Cl)(Cl)Cl)c1"]
["60874602","ClC(Cl)C1C=CCO1"]
["193731686","BrC1(Br)C=CC(Br)(OC2(Br)C=CC(Br)(Br)C(Br)(Br)C2(Br)Br)C(Br)(Br)C1(Br)Br"]
["179943148","CC1(Br)C=CC(F)=C(F)C1"]
["185058305","CCOC1(Br)C=Cc2ccccc2C1"]
["195262805","COC1=CC=CC(C)(Br)C1"]
["181538689","COC1(Br)C=CC=CC1CN=[N+]=[N-]"]
["49405753","COC1=C(OC)C2(F)C1(F)[C@@](F)(Br)[C@]2(F)Br"]
["171636740","CCOP(O)(O)(CC)c1cccc(C)c1"]
["183577911","[C-]#[N+]C1=CCC(Br)(OC(F)(F)F)C=C1"]
["164299780","BrC1(Br)C=CC(OC2=CCC(Br)(Br)C=C2)=CC1"]
["43278285","CC1C=CC=CC1(Cl)Cl"]
["101716504","COC(=O)C1(CC=CBr)C=CCC=C1"]
["172596464","O[Si](O)(O)OC1(C(CBr)CBr)C=CC(Br)C(Br)(C(CBr)CBr)C1(Br)C(CBr)CBr"]
["62119313","C#CP(C#CC)B(I)C#CC"]
["157784586","C#C[C@H](NC)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12"]
["100176706","C#CC#CC#CC.CC.[HH]"]
["190795383","CC#CP(=O)=O"]
["199840076","C#CC#CC#CC#CC#CC#CC#CP(C#CC#CC#CC#CC#CC#CC#CC)SB=S"]
["172243910","CC#CC(CN)C(C)I"]
["192631797","C#CC(C)C.CC#CC(C)C"]
["173117219","C#C[P@](C)C(C)(C)C"]
["26751287","C#CP(=C)(C#C)C#CC"]
["193983682","C.C#CC"]
["75082729","C#CC1CCS(I)(#I)N1C"]
["26770495","C#CC(O)C#CC"]
["145702978","C[Si]1=[Si-]c2cccc(c2)C[Si](C)=C2[C+]=CCC1=C2"]
["95052631","CC1COc2ccc(-c3cccc4c3CCN4)cc2OC1"]
["112384878","Oc1cccc(-c2csc(C3CNC3)n2)c1"]
["130988830","Cc1ccc(NC(=O)C2CSCN2C(=O)c2cccc(O)c2)cc1"]
["115460154","CCS(=O)(=O)N1CCN(C(=O)c2cccc(O)c2)CC1"]
["143483570","C[C@H]1CN(C(=O)c2cccc(O)c2)CCN1C(=O)c1cccc(O)c1"]
["MCULE-4331138222","Cc1cc2cc(C(=O)N3CCC4N=C(O)COC4CC3)ccc2o1"]
["74044811","CC(O)=NC1(Nc2cccc(O)c2)NC(C)(c2cncs2)CS1"]
["MCULE-8274972692","COc1cccc(OC)c1-c1cnc(C)c(C(=O)N2CCC(N3CCCC3)CC2)c1"]
["131896380","Cc1c(C(=O)NCC2CN3CCN2CC3)sc2cccc(F)c12"]
["45206790","Cc1c(Cl)cc(NCOc2cc(Cl)ccc2Cl)c(O)c1Cl"]
["99487445","C/C(NNc1ccc(C2=NN=C(O)CC2C)cc1)=C1\\C=CC(=O)C=C1O"]
["73961564","CCSP1S[P](SS)(SCC)S1"]
["91056926","CCSP1OC(C)(C)C(C)(C)O1"]
["65827804","CCC(CCCCC(=N)O)SS"]
["96087054","CCCC(CCSCC)CNC(C)(C)C"]
["25786321","CCCCSSS"]
["78263073","CCC(N)(N)SS"]
["53678844","CCSCC.O=N[O-].[Ag+]"]
["173001012","CCS[Si-](C)(C)=[Si+]"]
["173625518","[B-]=S(I)SCC"]
["183950562","CCSN=C=NSCC"]
["65324174","CCSC(=O)C(O)=S"]
["178829399","CCS[NH2+]CCC(CC)[N+](C)=O"]
["103017569","[C+](=CC=CC1C=CC=C1)C1C=CC=C1"]
["185252192","C=CC1C=CC=CC1=S(=O)=O"]
["96842910","Ic1ccc(/C=C/C2C=CC=C2)cc1"]
["110924165","CC(C)[C@@H](CO)N=CC1C=CC=C1"]
["97278656","C1=CC(/C=N/Cc2ccccc2)C=C1"]
["161675382","C(=CC=CC1C=CC=C1)C=CC1C=CC=C1"]
["173001271","C[Si](C)(C)ON=CC1C=CC=C1"]
["97654938","O=[N+](O)c1ccc(/C=C\\C2C=CC=C2)cc1"]
["181973273","ClC(C1C=CC=C[Se]1)C1C=CC=C[Se]1"]
["97766686","C1=CC(/C=C/c2ccc(/C=C/C3C=CC=C3)cc2)C=C1"]
["161691540","O=C(C=CC1C=CC=C1)c1ccccc1"]
["101093046","Brc1ccc(-c2ccc(/C=C/C3C=CC=C3)cc2)cc1"]
["187739551","C/C=C(\\C(O)O)C(OC)OC(C(O)OC1C(O)C(O)C(OC(=N)NF)C(O)C1NC=N)C(O)(CC)CO"]
["170872077","CCC(C)(C)OC1C(COCC(O)CC(C)C)OC(OCC(CO)OC(C(O)CO)C(C)(C)CC)C(O)C1O"]
["93037284","CCC(C)(C(=N)NO)C(O)=NC1CCCCC1O"]
["74123760","COCC(OC(C)=O)C(O)[C@H](OCCOC(C)=O)O[C@H]1C(OC)C(OC)[C@H](O[C@@H]2C(CO)O[C@H](OC)[C@@H](O)C2O)O[C@H]1C(=O)O"]
["182873687","CC[C@H](C)[C@H](N=[N+]=[N-])[C@@H](CC(=O)N1CCC[C@H]1/C=C(\\C)C(O)=NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)OC"]
["95375400","CCC(CO)(CO)NC1CCCC1"]
["98987819","C=CC(=COCc1cnc2c(C(=N)O)cccc2c1NC(CNC)c1cccc(F)c1)COC"]
["176364772","CC(C)(C)OC1C(CO)OC(C(C)(C)C)C(NCC(O)COCCCSCCC(=O)O)C1O"]
["198286407","C=CC1CCCC[N+]2(Cc3cc4c(cc3Cl)OCO4)C1CC2[C@@H](O)c1ccnc2ccc(OC)cc12"]
["91976447","CCCN(CC(=N)N)S(=O)(=O)NC(C)C"]
["96855077","CCO[C@@H]1O[C@H]([C@@H](CO)OC)[C@H](O)[C@H]1O"]
["17109444","[N-]=[N+]=N[C@H]1O[C@@H](CO)[C@@H](O[C@@H]2C[C@@H](O)[C@@H](O)[C@H](CO)O2)[C@@H](O)[C@H]1O"]
["100921618","C1=CB2C=CB3C=CB4C=CB5C=CB1[C]1C2=C3C4=C51"]
["92669239","Fc1cc(NCc2ccccc2)ccn1"]
["165203100","N=C(O)Cc1nccc(B(O)O)n1"]
["161917081","[I-].[Mg+2].[c-]1ccccc1-c1ccccc1"]
["91395396","N#CC(N=O)=NNc1ccccc1"]
["79853097","[I-].c1ccc([AsH+](c2ccccc2)c2ccccc2)cc1"]
["74138485","NC(O)=C1N=NC=[N+]1"]
["161828506","CB1C=CC=CC1(C)N(C)C"]
["164301286","c1ccc(C2(c3ccccc3)c3ccccc3C2(c2ccccc2)c2ccccc2)cc1"]
["101047484","OC1CS/C=C\\SCC(O)CS/C=C/SCC(O)CS/C=C/SCC(O)CS/C=C/SC1"]
["174699141","c1ccc(C2N=NN=N2)cc1.c1ccsc1"]
["195700778","[2H]N=c1[nH]c(C)cs1"]
["43896845","O=C(O)c1cnc(N2N=c3c(c(C(=O)O)c(=CC=Cc4c(C(=O)O)c5c(=O)n(-c6cnc(C(=O)O)cn6)[nH]c5n(CCO)c4=O)c(=O)n3CCO)C2=O)cn1"]
["93561298","C=CCC(C)N=c1cnc(C(=O)O)c[nH]1"]
["76753426","CCCOc1ccc(S(=O)(=O)Cl)cc1C1=NC(=O)C2C(C)=NN(CCC)C2=N1"]
["147082432","CC1CC(c2ccc(F)cc2)CN1C(=O)c1cnc(C(=O)O)cn1"]
["161527620","CC[C@H](C)[C@H](NC(O)[C@@]1(C)CCCN1C)C(=O)N(C)[C@H](C[C@@H](O)c1nc(C(=O)O)cs1)C(C)C"]
["44098287","CCOC(=O)c1c(C)[nH]n2c(=O)c(C)c(C(=O)O)nc12"]
["73664083","CC(=O)N(CC=C=C/C=c1\\c(C)c2c(n(C)c1=O)=NN(c1ccccc1)C2=O)c1ccccc1"]
["42370429","CC=CCOC(=O)[C@H](C)OC(=O)c1ccc(N2CCN(c3ccc(C(=O)O)cn3)CC2)nc1"]
["171460814","CC(C)C(=O)N1[C@H](C)CN(c2ncnc3[nH]c4cc(S(=O)(=O)NC5(C)CC5)ccc4c23)C[C@@H]1C"]
["144692785","Cn1ncc(C2CCCC2)c(C(=O)O)c1=O"]
["28392263","Cc1ccc(C)c(S(=O)(=O)N2CC3CCN(c4cnc5ccccc5n4)CC32)c1"]
["49623982","CC1=NN(C(=N)O)C(=O)/C1=C\\C=CC=Cc1c(C)[nH]n(C(=N)O)c1=O"]
["182938666","CCCC[Se]C([Se]#[N+]N=[N-])(C(C)[Se]C)C([Se]CC)([Se]CCC)[Se]C(C)C"]
["181914243","CCOC(CCCCl)(N=[N+]=[N-])OCC"]
["183196087","CCCCC(CC)CCS#[N+]N=[N-]"]
["183962481","CCCCC(CC)C(N=[N+]=[N-])(OOC(C)C)C1CCCCC1"]
["97636250","CCCCC(C)CC(O)(CC)C/C(CC)=C(\\O)CC(=O)O"]
["183501657","CCCCCCOCC(C)CCCN=[N+]=[N-]"]
["69800225","CCCNCCN(CCC)C(C(=O)OC)C(C)=NN=C(O)OC(C)(C)C"]
["52002878","CCCCCc1cnc(-c2ccc(C(Cl)(C(=O)O)C(C)CC)cc2)cn1"]
["167348866","CCC/C=C/C(C)(O)CCC(C)C"]
["183395542","CCCCCCCCCCCCCCC(CC)(N=[N+]=[N-])C(C)C"]
["181193840","CCCCCCCCCC(CCCCO)CS#[N+]N=[N-]"]
["148290281","CCCCC(C)C(=O)Nc1ccc(CC(O)=NCC(=O)O)cc1"]
["46386605","P=S=Pc1nc(P=S=P)nc(PP=S)n1"]
["86404254","CNc1cc(Sc2nnc(O)n2C)nc(SC)n1"]
["30710384","CNc1cccc(Oc2nc(Oc3cccc(NC)c3)nc(Oc3cccc(NC)c3)n2)c1"]
["172884416","C[B]PP=S.[V]"]
["87659308","Cc1cc2nc(C)n(C(C(=O)O)C(C)C)c2cc1C"]
["161785317","O=C1N=P(=S)N1SP=S"]
["200316128","CSc1nccc(-c2cc(Cl)n3nccc3n2)n1"]
["MCULE-7498095963","Cc1cc2nc(SCc3ccccc3C)oc2cc1C"]
["185567759","CC(=O)N(N)c1cc(Cl)nc(Cl)n1"]
["87659316","Cc1cc2nc(C3CCCCC3)n(C(C(=O)O)C(C)C)c2cc1C"]
["86204225","OCc1sc(SC2COC2)nc1Cl"]
["115254505","OCC(CO)Nc1nc(F)c(F)cc1F"]
["181745480","O=S(=O)(O)N=[NH+]Sn1cccc1"]
["68393240","COCCCS(=O)(=O)N[C@@H](C(=O)O)c1ccccc1"]
["172636376","CCOP1(=O)OCCN(C)C(=O)C1N=C(O)c1ccccc1"]
["74460091","N#N.O=CCc1ccccc1.O=S(=O)(O)O"]
["127089996","CCS(=O)(=O)N1CCN(CCCCCn2cccn2)CC1"]
["99921605","Cc1ccc(S(=O)(=O)O)cc1.O=C(O)C(O)c1ccccc1"]
["56734387","C/C(Cl)=C/CSC(=S)n1cccc1"]
["174517182","O=S(=O)(O)S(=O)(=O)c1ccccc1.[H-].[Na+]"]
["82482745","C=C(C)n1ccccc1=NN"]
["MCULE-9801024536","CN(CCS(=O)(=O)O)C(=O)CCn1ccccc1=O"]
["160957695","CC1CC(C)N(S(=O)(=O)c2cccn2C)C1"]
["183536563","[N-]=[N+]=NCNS(=O)(=O)S(=O)(=O)O"]
["179670478","[CH-]=[C-]C[I+]1(C)CC=CC1"]
["26664693","CCC(c1cc(C(C)C)cc(C(C)C)c1)C1C[C@@H]1O"]
["168639592","CCP(CC)C1=CCC=C1"]
["174045853","CSC1=C(CCC=O)CCC(C)C=C1"]
["157030163","C[C@@H]1OCC[C@@H]1SC[B-](F)(F)F"]
["191716686","CCC1(C)CC=CC1.CCC1(C)CCCC1"]
["180700601","[CH-]=S(C)CC(=C)C1C=CCC1"]
["63080317","O=C([O-])CC1=CC=CC1"]
["25590254","CP1C=CCC1"]
["180581672","C=C=C(C)N1C=CCC=C1"]
["169411937","CC(C)(C)[PH+](C[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.[CH-]=[C-]C=C1C=CC=[C-]C1.[Rh+3]"]
["59828084","CC(C=N)S1=CCC=C1"]
["161859725","C=C(C=C[O+]=[Si-])[O+]=[Si-]"]
["174345143","C=N/C=C\\C(=C)CC.CC"]
["190527907","C=C.C=C(F)F.FC(F)=C(F)F"]
["99558920","C=C[O+]=[Si-].OCCO"]
["174036432","C=C(O)/C=C\\C(=C)S"]
["174420778","C=C(Cl)/C=C\\C(=C)CCl"]
["161790642","C=C(Cl)C=C[N+](C)(C)C"]
["25048721","C=CCCCC(=C)C=C"]
["50025940","C=CC(C)[O+]=[Si-]"]
["78346111","C=C/C(Cl)=C(/Cl)C(=C)Cl"]
["176639860","C=C(F)C(F)=CC(F)=C(F)F"]
["174268180","C=C(Cl)/C=C\\C(=C)C#N"]
["74153772","FC(F)C1C2C(F)(F)C(C(F)F)C(F)(F)C3CC3(F)C1C2(F)F"]
["59524714","C[C@@H]1C[C@]1(F)C(F)F"]
["158014431","Cc1nc(=N[C@H]2C[C@@H]2C(F)F)s[nH]1"]
["75303079","N[C@H]1C2CC3CC1C[C@@](OC(F)F)(C3)C2"]
["86869647","CCC1(C(C)C)CC1CBr"]
["168745247","CC(C)C1CC(C(C)C)CC(C)(F)C1"]
["197197883","CC(C1CC1(C)C)S(=O)(=O)F"]
["159123299","CC1CC(N)(CC2CC(F)(F)C2)C1"]
["157881265","CC(C)[C@@H](C)N[C@H]1CCCC(F)(F)C1"]
["162714375","CC(N)c1nnc(C2CC(F)(F)C2)s1"]
["163552058","CCC1(C)CC1C(F)F"]
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["79509966","O=[Te]1C=CN=C1"]
["46149637","Cl.O=S1(=O)C=CN=Cc2ccccc21"]
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["114957701","Cc1nc(C)c(C(O)C(CN)C(C)C)s1"]
["147079383","CCN(CCC(=O)O)C(=O)c1sc(C)nc1-c1ccccc1"]
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["107528930","CCc1nc(CC)c(-c2nnc(S)n2[C@@H](C)CC)s1"]
["191339399","Cc1nc(Cl)c(C(=O)CCCC(=N)O)s1"]
["114956543","Cc1nc(C)c(-c2nc(=N)n(C)[nH]2)s1"]
["162604708","Cc1nc(C)c(C(N)C(C)(C)CO)s1"]
["192605730","Cc1nc2cc(Cl)ccc2s1.Cc1nc2cc(F)ccc2s1"]
["114955268","CCCOCC(NCC)c1sc(C)nc1C"]
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["172603891","[B+]=c1c(=[B+])c(=[B+])c2c(=C3[N-][c-]4n5[n-][c-](Cl)[n-][c-]5n5nc(Cl)[n-]c5[n+]4[N-]3)c(=[B+])c(=[B+])c(=[B+])c2c1=[B+]"]
["173964825","[B+]=c1c(=[B+])c(=[B+])c(=C2[N-][C-](n3c4ccccc4c4ccccc43)[N-][C-](n3c4ccccc4c4cc(-c5ccccc5)c(N(C)c5ccccc5)cc43)[N-]2)c(=[B+])c1=[B+]"]
["174105075","[B+]=c1cc(-n2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c32)cc([C-]2[N-]C(=c3c(=[B+])c(=[B+])c(=[B+])c4c3sc3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c34)[N-][C-](c3ccc(C4=[C-]C([c-]5cc([C-]6[CH-][CH-]CC[CH-]6)[cH-][cH-][cH-]5)=[C-][CH-][CH-]4)cc3)[N-]2)c1=[B+]"]
["74954732","COC[C@H](C)n1cc(C)c2nc(Cl)c(OC)cc21"]
["MCULE-7658272961","COc1cccc(-c2cc(Cl)n3nc(C4CC4)c(C(=O)O)c3n2)c1OC"]
["174232932","[B+]=c1c(=[B+])c(=[B+])c2c(c1=[B+])c(=[B+])c(=[B+])c1c(=C3[N-][C-](C4=[C-]CCC=[C-]4)[N-][C-](c4cccc(-c5ccc(C6=[C-]CCC=[C-]6)c6ccccc56)c4)[N-]3)c(=[B+])c(=[B+])c(=[B+])c12"]
["172589373","CCC1CN(c2nc(SC)nc3c(F)c(Cl)nc(OC)c23)CC(CC)N1"]
["174072745","[B+]=c1c(=[B+])c(=[B+])c2c(sc3c(=[B+])c(=[B+])c(=[B+])c(=C4[N-][C-](c5ccc(C6=[C-]CCC=[C-]6)cc5)[N-][C-](c5ccc(-c6ccccc6)cc5)[N-]4)c32)c1=[B+]"]
["174096500","[B+]=C1C(=[B+])C(O)C(=[B+])c2oc3c(-[c-]4[n-]c(Cl)n[c-](Cl)[n-]4)c([O-])c(=[B+])c(=[B+])c3c21"]
["174062164","[B+]=c1c(=[B+])c(=[B+])c(=c2c3c(c(=C4[CH-][CH-]C=c5oc(=C6[CH-][CH-][C-]=C7[C-]6C6=[C-]C[CH-][C-]=C6C7(C)C)cc54)c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c24)=CCCC=3)c(=[B+])c1=[B+]"]
["174075760","[B+]=c1c(=[B+])c(=[B+])c2c(=c3cccc4c(=C5[N-][C-](C6=[C-]CCC=[C-]6)[N-][C-](c6cccc7oc8ccccc8c67)[N-]5)cccc34)c(=[B+])c(=[B+])c(=[B+])c2c1=[B+]"]
["174105162","[B+]=C1C(=[B+])[C-]2Oc3c(c(=[B+])c(=[B+])c(=[B+])c3=[B+])[C-]2C(=[B+])C1=C1[N-][C-](Cl)[N-][C-](Cl)[N-]1"]
["179441870","CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)CI=C(O)[C@@H]1[C@@H]3[C@H](CN1C(C)=O)C3(Br)Br)C2(Cl)Cl"]
["63550889","CC(C)C1SCC(C(=O)O)N1C(=O)CN1C(=O)CN=C1O"]
["89503153","CC(C)CC(=O)N1CC(NCCO)CC(C(=O)O)C1"]
["158356113","CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1C(=O)O"]
["161104719","CN=C(O)CC(=O)N1CC(C)NCC1C"]
["120480961","CC(=O)N1CCC(C(=O)CN)C1"]
["158181899","CN=C(O)CC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21"]
["158330177","CC(=O)[C@@H]1C[C@H](CC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)C1(C)C"]
["189770954","CC1(C)[C@@H]2[C@@H](C(O)=N[C@H](C=O)C[C@@H]3CCN=C3O)N(C(=O)COc3ccc(Br)cc3Cl)C[C@@H]21"]
["102825488","C[C@@H](O)CCC/C=C/[C@H]1C[C@@H](O)C[C@@H]1[C@@H](O)/C=C/C(=O)O"]
["112637748","CC1OCCC1CN=C(O)N1C(C)SCC1C(=O)O"]
["121524501","C=CCCC(=O)N1CC(C)N(CCOC)C(C)C1"]
["176472423","C#CCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O)OC=O"]
["190084409","CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC[C@H](O)[C@@H](O)/C=C/C=C/C=C\\C=C\\[C@@H](O)CCCCC"]
["169420664","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCC(=O)OC(COCCC(C(=O)O)[N+](C)(C)C)COC(=O)CCCCCCC"]
["167838623","CCCCCCCCC/C=C\\CCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\\CCCCCCCCCCC)OC(=O)CCCCCCCCCCC"]
["167648552","CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCC/C=C\\CCCCCCCCCCC"]
["169532191","CCCCCC/C=C\\CCCCCCCCCC(=O)OCC(COC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCCC"]
["196159320","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\CCC)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC"]
["196088066","CCCCCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC"]
["196906831","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)OCC(COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)OC(=O)CCCCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC"]
["167686013","CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN=C([O-])CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OC(C)=O"]
["167690222","CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\\CCCCCCCC"]
["165055854","CCCCCCCCCCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C"]
["173900904","CC(C)(C)[B]C(C)(O)[B]C(C)(C)C(C)(C)C"]
["150003366","CCC(C)(O)SC"]
["85257675","Cn1ccnc1CC(C)(C)O"]
["162260502","CC[C@H](O)[C@](C)(O)CC"]
["162674758","CC(C)C(O)C(C)(C)C(C)(C)C"]
["79724375","CC(C)(N)O.CC(C)O"]
["145482038","CC(O)=NC(C)(O)C(O)=NPP"]
["95100765","CCCC(CCC)NCC(C)(O)CCC"]
["25385470","CC(Br)CC(C)(C)O"]
["112188491","CC(C)(O)C(C)(C)N=C(O)c1cnns1"]
["169712450","CC(C)(C)P(O)(O)(OCl)C(C)(C)C"]
["190039381","C=C(O)C(C)(C)P"]
["170525393","C/C(=N\\NC(=N)[S-])C1=C=CC(Cl)C(Cl)=[C-]1.C1N2CN3CN1CP(C2)C3.[Pt+2]"]
["78311873","CC12CC1(C(=O)OCC(Cl)(Cl)Cl)N1C(=O)C(N=C(O)/C(=N/NC(=N)O)c3ccccc3)[C@@H]1S2"]
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["148315480","CC(=O)N(CC(=O)O)C1CCCN(C(=O)c2ccc(C)cc2Cl)CC1"]
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["172856120","OB(O)O[s+]1ccnc1"]
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["164032048","CC=CC(O)c1cccnc1"]
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["62568681","CCOC(=N)n1ccnc1"]
["179730454","II=NC1C=CC2[C-]=CC=CC21"]
["173157135","CCCC1=CCC=C1.C[Si](C)C1CCC2[C-]=CC=CC21.[Zr]"]
["185712819","[C-]1=CC=CC1CC1C=CC=C1.[Zr]"]
["165024505","O=C1C2C(C(=O)N1c1ccccc1Cl)C1C=CC2[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12"]
["182197879","CCCC1[C-]=CC=C1.[Mo+2]"]
["66466874","O=C1[C@@H]2C3C=CC([C@@H]2C(=O)N1C1CC1)[C@@H]1C(=O)N(C2CC2)C(=O)[C@H]31"]
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["161693663","[C-]1=CC=CC1CC1C=CC=C1.[Mo+2].[N-]=O"]
["190871498","[C-]1=CC=CC2(c3ccccc3)OC12.[Na+]"]
["19963781","[C-]1=CC=CC2CCCC12.[Na+]"]
["162330424","N#CC1C2C=CC(N=[N+]=[N-])C(O)C12"]
["100865897","[CH-]=CC1[C-]=CC=C1.[Mg+2]"]
["46212392","O[S+](O)(=NC(F)(F)F)c1ccc(-n2ccc(=[N+]3CCN(C([S-])[S-])CC3)cc2)cc1.[Au]"]
["169282905","CC(C)(C)OC(O)=NC(CC(=O)O)c1ccc(N2C[C@@H]3CNCCN3C2=O)cc1"]
["138173173","O=C(c1ccc(-n2cccc2)cc1)N1CCC(O)=Nc2ccccc21"]
["10757993","CC(O)=NN=C(O)Cc1ccc(-n2cccc2)cc1"]
["119074314","CCC(c1ccccc1)N1CCC(C(O)C(F)(F)F)CC1"]
["125438334","Cn1c(CN2CCC(O)CC2)nc2cc(C(F)(F)F)ccc21"]
["121155116","COC(=O)c1ccc(NC(=O)C(C)N2CCN(C(C)C(F)(F)F)CC2)cc1"]
["69162985","CC(C(O)=Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nc(=N)[nH]s2)CC1"]
["194647499","OCCN1CCN(CCC2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"]
["MCULE-8972705277","O=C(C=Cc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)c(Br)c1)c1ccc(F)cc1"]
["MCULE-4634801424","Cc1c(CN2CCC(F)(CN=C(O)C3(C(F)(F)F)CC3)CC2)cnn1C"]
["171245287","CCOC(=O)C(F)(F)[C@H](N)c1ccc(N2CCCC2)cc1.Cl"]
["195910235","CNC1C(C)C(=N)C(=NS)C(CCC2c3nsnc3C(C)C3N=S=NC23)C1N=S"]
["25059223","Cc1ccc(CSc2nsnc2C2CN3CCCC2C3)cc1"]
["97680928","CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)C/N=C1\\SC(S)=NC1C(=O)O[C@@H]1C[C@@H]3CC[C@@]1(C)C3(C)C)C2"]
["52361534","CC1=NC2=C(C)c3nsnc3C(C)C2N=C1C"]
["175747757","CNC1C(C)C=C2CC1CC(C)(C(=N)O)C2"]
["160057588","CCc1nsc(N2CCN(C(O)=NCCC3CCOC(C)C3)CC2)n1"]
["77938628","CC1C(=N)C(=NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C(C)C1=O"]
["179128312","CC1c2nsnc2C(C)C2N=S=NCC12"]
["26030100","CCCSc1nsnc1C1CN2CC1CCC2C"]
["82666504","Cc1ccsc1C#CCSc1nsnc1C1CN2CCCC1C2"]
["21289442","Cc1cc(CNCCc2nccs2)cc(C)c1OCc1ccccn1"]
["76941735","C[C@@H](N=C(O)CCC(O)=N[C@@H](CC#C[Si](C)(C)C(C)(C)C)C(=N)O)c1ccccc1"]
["97244122","C1=COC=[O+]C=C1"]
["52650365","[B]1OC=CC=CO1"]
["172846428","C1=COC=CO1.[Fe]"]
["25534907","C1=COC=COC=COC=COC=COC=CO1"]
["171681281","O=S=S1C=CC=CO1"]
["46610072","NC1=CC=COC=N1"]
["185400909","C1=CC=COOCC=C1"]
["192158697","O=C1COC=CC=COC=CC=N1"]
["190520895","C1=CCOC=C1.[Fe]"]
["25143115","C1=COOC=C1"]
["99624088","C1=CC=COC=C1.O=C(O)/C=C/C(=O)O"]
["193683812","C1=CCOC=C1.CO.CO"]
["178819295","CCCC12CC(Cl)=C([P+](CCP(CC[P+](c3ccccc3)(c3ccccc3)C3(CCC)c4cc(F)cc(F)c4-c4cccc[n+]4C3(/C=C/CCl)CCC)c3ccccc3)(c3ccccc3)c3ccccc3)CC1(CC)[n+]1ccccc1-c1c(F)cc(F)cc12"]
["MCULE-4067074041","CCOc1cccc(C=Nn2c(CC)nnc2SCC(O)=Nc2ccccc2F)c1"]
["177034229","CC(C)C(=N)NC(=N)/C=C\\C(N)=C(\\C=NC1CCN(C(OC(C)(C)C)=C2C=C2)C1)C(=N)c1ccc(F)cc1F"]
["149874130","CCCCC1(C)c2ccc(F)cc2-c2cccc[n+]2C1(C)CC"]
["MCULE-1589903603","CCCCN(C)Cc1cc(=O)c(OCC(O)=Nc2cccc(Cl)c2Cl)cn1CCC"]
["139575840","CCCC1(CNC(=O)C(=O)Nc2ccc(N=C(O)c3ccccc3)nc2)CCC1"]
["177040120","CC.CC.CCC1(C)c2cc(F)cc(F)c2-c2n(cc[n+]2C)[C@@]1(CC)[C@H]1OC(=O)c2cccc[n+]21"]
["55535266","CC(/C=C/C[C@H](C)[C@H](OC(O)=Nc1ccc(F)cc1F)c1ccc(OCCO)cc1)=C\\C(O)=NO"]
["150395621","O=S(=O)(c1ccc(F)cc1)N1CC(F)CC1C(O)=NCc1cc(-c2cnc(C(F)(F)F)nc2)c(F)cn1"]
["176130301","N=C(O)c1cn2cc(CO)nc2c(F)c1-c1c(Cl)c(F)cc2c1C[C@](c1ccccc1)([C@@H]1CCCN1)O2"]
["192508532","CC(C)(C)c1cccc(C2(NCC(O)CCc3cc(F)cc(F)c3)CCCN(C(=N)O)C2)c1.CC(C)(C)c1cccc(C2(NCC(O)CCc3cc(F)cc(F)c3)CCCN(C(O)=NCc3ccccc3)C2)c1"]
["145547144","CC(C)(C)OC(=O)N1CC(=O)N(c2cc(C#N)ccn2)C(C(=O)N(c2cc(F)cc(F)c2)[C@H](C(O)=NC2CC(F)(F)C2)c2ccccc2Cl)C1"]
["184187543","C=[C-]/C=C\\C=C\\C1[N-][C+](C2=CC3[I+]C(Oc4c(-c5ccccc5)cccc43)C(C(N)=NC(=N/C=C/c3ccccc3)[C@H](C)c3ccccc3)=C2)[N-][C+](c2ccccc2)[N-]1"]
["17849165","CC[C@H](C(=O)N(CCC(c1ccccc1)c1ccccc1)C/C(C)=C/c1ccccc1)c1ccccc1"]
["14013478","C[C@@H](N=C(O)/C=C/c1ccccc1)C(O)=NCCCOC1CCCCC1"]
["175470896","C=[C-]/C=C(\\[C+]=CC)C1=CC(=C2[N-]C=Cc3ccccc32)C=C[N-]1.CC1=C(C)[NH+]2C(=CC=CC2C)c2ccccc21.[Sr+2]"]
["148120595","CNC(C(O)=NC1CCOc2c(-c3ccccc3)cccc21)c1cnn(C)c1"]
["83351106","O=C(C=Cc1ccccc1)OC1CCC2C(=O)C(c3ccccc3Cl)=COC2C1"]
["MCULE-6221471598","CC(O)=Nc1ccc(-c2ccc3c(c2)CC(N=C(O)C2CCc4ccccc4O2)C3)cc1"]
["83253238","C=CC(=O)N1CCC(C(O)=NCc2cc(-c3ccccc3)c(Cl)cc2OC)CC1"]
["57936379","C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(O)=N[C@H](C(=O)O)c1ccccc1"]
["SN0304830-02","CC(C=O)CCCCCCC(/C=C/c1ccccc1)CCC(/C=C/C(=O)O)N=c1cc[cH-][nH]1"]
["77228925","COc1ccc(CCN=C(O)CN(Cc2ccccc2)S(=O)(=O)C=Cc2ccccc2)cc1OC"]
["75616167","COP(=O)(OC)[C@@H](/C=C/c1ccccc1)NC(c1ccccc1)c1ccccc1"]
["175086577","N#Cc1cnn(C2CC3N(CN2)N2[O+]=c4c(c(C#N)nn4-c4ccccc4)=NN2c2c(C#N)cnn23)c1[N+]1=NOc2c(c(C#N)nn2-c2ccccc2)N1"]
["123536240","CCCC(N=C(O)CN1CCC(c2cnn(CC)c2)CC1)c1ccccc1"]
["MCULE-1043959978","CCCc1nn(-c2ccccc2)c2c1C(c1cc(C)ccc1O)C(C(O)=NCc1ccc3c(c1)OCO3)=C(N)O2"]
["168631556","CCc1cnc(Sc2nc(O)c3cnn(-c4ccccc4)c3n2)[nH]1"]
["123008911","[H]/N=c1/c2c(ncn1Cc1ccco1)Oc1c(c(C)nn1-c1ccccc1)[C@@H]2c1ccc(OC)cc1"]
["MCULE-8497343017","CCOc1ccc(C2C(C(O)=NCCN(CC)CC)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC"]
["MCULE-6238835340","Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1Cl)C(C(O)=NC1CCCCCC1)=C(N)O2"]
["18533366","N#Cc1cccnc1N[C@@H]1CCOc2c(Cl)cccc21"]
["31927456","N#Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1"]
["MCULE-1660221619","CCOc1ccc(C2C(C(=O)N(C)C3CCN(C)CC3)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC"]
["132449117","CC(C)N=C(O)CN=C(O)c1cnn(-c2ccccc2)c1C1CC1"]
["97489293","COCCOc1ccc(/N=N/c2c(C#N)nn(-c3ccccc3)c2[O-])cc1S(=O)(=O)O.[Na+]"]
["173856520","[B]C([B+])(C[O-])C([B+])([B+])C([O-])(C(O)=NC)N1CC2=C(CC[C-]=C2NCC2=C(F)C(CN3C([B+])([B+])C([B+])([O-])OC([B+])([O-])C3([B+])[O-])=[C-]CC2)C1[O-]"]
["16056618","CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12"]
["173710190","[B]C([B+])(C[O-])C([B+])([B+])C([B+])(C(O)=NC)N(C[O-])C([O-])([O-])C1=C(C)CCC=C1NC([B+])([B+])c1ccc(C([O-])([O-])N2CC(C)OC(C)C2)cc1F"]
["67166152","CC1(C)CC(=O)C(C(N=C(O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)=C(NCc2ccco2)C1"]
["177841781","CN=C(O)Nc1ccc2c(c1)OCCC21OC(=O)N(CC(=O)N2Cc3ccc(F)cc3CC[C@H]2C2CC2)C1=O"]
["116647685","CCN=C(NCc1cccc(C(O)=NC)c1)N(C)CCC1CCOCC1"]
["81066803","CC=Cc1ccc2n(c1=O)CC1C(CO)C(C(O)=NCC)C2N1C(=O)c1ccc(F)cc1"]
["MCULE-1043964085","CC(C)(C)N1CC(C(O)=NCCC(O)c2ccc(F)cc2)CC1=O"]
["121212296","CC=CCC(CO)N=C(O)NC1CCN(C(C)=O)Cc2cc(F)ccc21"]
["128306843","CCC(CSC)N=C(O)NC1CCN(C(C)=O)Cc2cc(F)ccc21"]
["184200254","CN=C(O)c1ccc(N2C(=S)N(C3=CC(C(F)(F)F)C(C)(C#N)C=C3)C(=O)C23CCCC3)cc1F"]
["176337354","CC.CC.[B+]C1([B+])OC2=CCCC(C3CC3C)=C2C1([O-])[O-]"]
["99789231","CN1[N+]=c2c(=C3C=CN(CC[Si](O)(O)O)C=C3)cc(Cl)c(=C3C=CN(CCO[Si](=O)O)C=C3)c2=[NH+]1"]
["22092204","COC(=O)C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1Cl"]
["69059560","COc1ccc(N2C(=O)[C@H]3N=NN(CC(O)=Nc4cccc(Cl)c4C)[C@H]3C2=O)cc1OC"]
["139681513","COCC1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1"]
["MCULE-1152252225","COC(=O)COc1cccnc1NC(O)=Nc1cc(C(=O)OC)ccc1Cl"]
["171589435","CCOC(=S)c1cc2c(C(=O)N=c3c(Cl)c[nH]cc3Cl)ccc(C)n2n1"]
["45314700","COCCn1c(SCC(=O)c2ccc(Cl)cc2)nc2cc(Cl)ccc21"]
["96320238","CCNC(C)CCc1c(Cl)cnn1CCOC"]
["63161955","COCCC(NC(O)=NCc1ccc(OC)nc1)C(=O)O"]
["28234701","CCCC(C)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(OC)cc1Cl"]
["17696074","COCCN1C(=O)/C(=C(/C)Nc2ccc(OC)c(Cl)c2)C(O)=NC1=S"]
["MCULE-9656223556","COCCN(CCOC)C(=O)CN=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)n(C)n1"]
["199008203","O=C([C@H]1CCCC(O)=N1)N1CC2C3CCC(C2C1)N(C(=O)c1n[nH]c2c1CCSC2)C3"]
["117128529","Cc1cccc(C(=O)N2CCCCCC(C(=O)N3CCc4ccccc4C3)N=C(O)CC2)c1"]
["104113118","C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(O)=NNC(=O)c3n[nH]c4c3CCCC4)c2)C1"]
["104845032","N[C@@H]1CCCC[C@@H]1N=C(O)[C@@H]1CCC(O)=N1"]
["179303240","CCC(C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)C2CC1C1C3CCC(C3)C12)C12NI1N2"]
["159665076","O=C1N=C(O)CCN1CC(=O)N1CCCC1C1CCC1"]
["17607471","O=C(c1ccc(-n2cnnn2)cc1O)N1C[C@@H]2[C@H]3CC[C@H](CC3)[C@@H]2C1"]
["157757732","C[C@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)CC(O)=N1"]
["109325337","CCO[C@@H]1[C@@H]2CC[C@@H]1N(C(=O)c1cscn1)C2"]
["108139569","O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCSCC1"]
["135048226","CC(C)Cc1cc(C(=O)N2CCCN(C3CCCC3)CC2)n[nH]1"]
["31283064","Cc1cc(C)cc(C2Nc3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3C2CCN2CCC(N=C(O)N3CCCC3)C2)c1"]
["100306803","Nc1ccc2c3n4c(c2c1)N=c1c2ccc(N)cc2c2n1C1C4C4C1n1c(c5c(c1=Nc1c6c(c(n14)=N3)=CC(=[NH2+])C=C6)=CC(=[NH2+])C=C5)N=2"]
["113262878","Cc1cnc(CN=c2[nH]cnc3ccc(N)cc23)o1"]
["93331320","COc1ccc(N)cc1N1C(=O)C2CC(C)CC2C1=O"]
["84703521","CC1CN(c2ncnc3cc(N)ccc23)CC1C"]
["194760476","Cc1nn(C2CC3(C2)CN(C)C3)c2ccc(N)cc12"]
["108570926","Nc1ccc2c(Br)cnc(N[C@@H](CO)C(=O)O)c2c1"]
["91959131","Nc1cncc(Nc2c(Cl)ccc3nsnc23)c1"]
["60232669","Nc1ccc2c(-c3c(Cl)ccc(Cl)c3C=O)c3ccc(=[NH2+])cc-3oc2c1"]
["88054347","Nc1ccc2nc(CC(O)=NCc3ccccc3)ccc2c1"]
["54208081","CCN1CCC(CN=c2[nH]cnc3ccc(N)cc23)CC1"]
["67486903","Cn1c(=c2ccc(=C(O)NCCCNCCCCNC(O)=c3ccc(=c4c5c(c6ccc(N)cc6[n+]4C)C=CC(=[NH2+])C=5)cc3)cc2)c2cc(=N)ccc2c2ccc(=N)cc21"]
["54543678","CN(Cc1ccoc1)c1ncnc2ccc(N)cc12"]
["174086807","C/C=C\\C=C(/C)C1=CC=C(N(/C=C/C=C/C(/C=C\\C)=C/C)C(/C=C\\C)=C/C(C)c2ccc(C(/C=C\\C)=C/C)cc2)[B]1"]
["175403519","C=C/C(=C\\C=C(/C)OC(C)O[C@H](CO)C(O)CC)C1=CC(C(O)=NCCOCCOCCN=C(O)/C=C/C=C\\C(=C/C)c2ccc(OC3CCC(O)CO3)cc2)C=CC=C1"]
["134690086","CC=CC=CC(O)=NCC(C)Cc1ccc(OC)c(OC)c1"]
["175304748","C=C/C=C\\C(\\C=C\\c1ccc(/C=C\\C(\\C=C\\C(\\C=C/C)=C\\C)=C/C=C)cc1)=C/C"]
["174970993","C/C=C\\C(=C/C)c1ccc2ccccc2c1.CC"]
["174460095","C/C=C\\C=C(/C)c1ccccc1.CC"]
["56671549","CC=CC=CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1"]
["175623082","C=C/C(=C\\C=C/C)c1cc(-c2cccnc2)cc(-c2cc(-c3cc(C(/C=C\\CC)=C/C)cc(-c4cccnc4)c3)nc(C)n2)c1"]
["174177816","C=C/C=C\\C(=C/C)c1ccc(C(C)C)cc1"]
["175404696","C=C/C=C(\\C=C/C)c1ccc2c(c1)C(C)(C)c1cc(OC)ccc1-2"]
["171823865","C/C=C\\C=C(/C=C\\C)N1C(=O)c2ccccc2C1=O"]
["174919417","C/C=C\\C=C(/C)c1ccc(F)cc1C(C)C.CC.CF"]
["174100297","[B+]C([B+])([B+])C(c1cc2[cH-][cH-]c3[cH-][cH-]c(C4=C=C5[C-]([CH-]C4)[C-]4[CH-]CC(c6[cH-][cH-]c7[cH-][cH-]c8[cH-][c-](C(C([B+])([B+])[B+])(C([B+])([B+])[B+])C([B+])([B+])[B+])cc9[cH-][cH-]c6c7c98)=C=C4C5(C)C)c4[cH-][cH-]c(c1)c2c34)(C([B+])([B+])[B+])C([B+])([B+])[B+]"]
["176568107","[B+]C([B+])(O/N=C(\\C)[c-]1[cH-][cH-]c(C([B+])([B+])Br)c(C([B+])([B+])C)[cH-]1)C1=C=C(C(F)(F)F)[C-](C(CC)CC)[CH-]C1"]
["155992242","CC(=O)O[C@@H]1CC(=O)OC(C)(C)[C@@H]2C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@@]534)[C@@]12C"]
["90200436","Cc1cccc(C2CCNCC2N)c1"]
["178547334","O=C(O)C12CCC(C(=O)N3CCC4(Sc5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5NCC34)(CC1)CC2"]
["33040483","CC(=O)O[C@H]1CC(=O)OC(C)(C)C2C[C@H]3O[C@@]45[C@H](O)C[C@@H](c6ccoc6)[C@]4(C)[C@@H](O)[C@H](O)C([C@]21C)[C@@]35C"]
["175834809","[B+]C([B+])(N=C(O)C1=C=C(C(=O)[N-]Cc2ccc([C+](N)[N-][NH-])cc2)NCN1)c1cccc(OC)c1"]
["174060949","[B+]C([B+])([B+])c1cc([C-]2[N-][CH-][CH-]C3=C=C(C(CC)CC)C[CH-][C-]32)cc(C([B+])([B+])[B+])c1"]
["175681240","[B+]C([B+])([B+])C([B+])(OC(=O)NC1=C(c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)C[N-]N1C)C1=[C-]CCC=[C-]1"]
["12333909","COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1"]
["155914138","C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1"]
["175155503","[B+]C([B+])(C1=C=C(Br)C[CH-][C-]1Cl)c1cc(F)c(OC)c(F)c1"]
["187652916","[NH2+]=C1[N-]CNC2=C1NCN2[C@H]1CC[C@@H](CO[P+](O)=S)O1"]
["82402135","CCC1CCC(N2C(=O)SC3C(=O)N=C(C)N=C32)O1"]
["82339721","COC(=O)[B]N1CN(C2CCC(CO)O2)C2=NC(=N)N=C(O)C21"]
["5138592","N=c1ccn([C@@H]2CC[C@@H](CO)O2)c(O)n1"]
["28447315","CCc1ccc(C(=O)OC[C@@H]2CC[C@H](n3cc(F)c(=N)nc3O)O2)cc1"]
["128394696","Cc1ccc(N=C(O)N(C)CC2CCCN(C)C2)cc1OCC1CCOCC1"]
["173234262","COCC1CCC(n2cnc3c(NCCc4ccccc4)nc(C#N)nc32)O1.O=C(O)c1ccccc1.O=C(O)c1ccccc1"]
["176516775","C=C1NC(=N)Nc2c1ncn2C1CCC(CO[P+](=O)OO[P+](=O)OOPO)O1"]
["85524223","O=C(O)C1CCC(CN=C(O)Cc2cc[nH]n2)O1"]
["176524796","CC.CC.CSCC[N-]c1nc(SCCC(F)(F)F)nc2c1[nH+]cn2C1CCC(CO[P+](=O)O)O1"]
["162397877","COCC1CCC(C2CCCCCN2)O1"]
["188062475","Clc1ncnc2c1ccn2[C@H]1CC[C@@H](COc2cnc3ccccc3c2)O1"]
["16036150","c1c[nH+]cc(-c2nc(CCNC3CCC4(CC[NH2+]CC4)CC3)cs2)n1"]
["11763247","COC(=O)Cc1csc(N=C(O)[C@@H](C)Sc2cc(Cl)ccc2Cl)n1"]
["46491965","COc1cc(-c2nc(CC(=O)O)cs2)ccc1OCCc1ccccc1"]
["60345821","CC1CCCCC1N(C)Cc1nc(CCl)cs1"]
["MCULE-1906279818","Cc1ncccc1-c1cc(CC(O)=NCCc2csc(-c3cccnc3)n2)ccc1F"]
["2066613","C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCCc1ccc[nH+]c1)C2"]
["MCULE-7115883881","CN(C)c1cccc(N=C(O)C(C)(C)N=C(O)CCc2csc(-c3ccncc3)n2)c1"]
["86532207","CCNCCC(C)Cc1csc(C)n1"]
["144458110","O=[N+]([O-])c1cccc(-c2nc(CNc3cccc(N=C(O)CO)c3)cs2)c1"]
["4868839","Cc1ncc(N=C(O)C2CCCC2)n1-c1nc(-c2ccc(F)cc2)cs1"]
["111376089","Cn1cc(CCC2(CNC3CC3)CCCC2)cn1"]
["106281574","CCc1nc2n(n1)C[C@@H](NCCOCC(F)(F)F)CC2"]
["171874009","[CH+]C1CC(O)C(C23CC4(C5CC(O)[CH+]CC5O)CC(C5CC(O)CCC5O)(C2)CC(C2CC(O)C(C56CC7(C8CC([O-])[CH-]CC8O)CC(C8CC(O)CCC8O)(CC(C8CC(O)CCC8O)(C7)C5)C6)CC2O)(C4)C3)CC1O"]
["171748780","O=S(=O)([O-])C1CC(O)CCC1O.[Na+]"]
["162817550","CC1(C)[C@@H]2CC[C@@]1(C)CC[C@@H]2O"]
["91642463","OC(=Nc1ccccc1)NC1NNC2CCC(O)CC21"]
["184397286","[CH-]=C(C)NC1CC2CC3(CNCOC3)C(C1)N2.[U]"]
["189320131","CC1(C)Oc2cc(C3(CCCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21"]
["162280403","OC1CC2C(C1)C2(Cl)Cl"]
["179798186","C=PN(/N=C/C1C(O)CCC2CC3CCC(O)CC3CC21)c1ccccc1"]
["149745231","CC(C)C1C2CC(O)CCC21CSO"]
["159095283","Oc1nccn1[C@H]1CCC[C@H](O)C1"]
["90766699","OC1CCC(O)C(c2ccc(Cl)nc2)C1"]
["179874597","OC1CCC2C(/C=N/N(c3ccccc3)c3ccccc3)CCC(O)C2C1"]
["178831189","C.N=C1NC(=NC2=CC=C=CC2I)NI1CCC1=[C-]C=[C-]C=I1.[U+2]"]
["74510016","OC(=NC1=CC=C=C[CH]1)C1CCCN1"]
["184153580","O=C(C1=CC=C=CC1[O-])[C-](CCCI)c1ccc([O-])cc1.[U+2].[U]"]
["184371580","CN1[CH-]C(Cc2cnc(SCC3=CC=C=C(C#N)C3)nc2[O-])=C=CC1.FC1=CC=C=CC1I.[U+2]"]
["102960147","CCCCCCC1(CCCCCC)c2cc(-c3ccc4c(c3)CSCC3C=C=CC=C43)ccc2C2=CC=C=C[C+]21"]
["166193992","COCC1=CC2=CC=C=CC2[C-]=C1.[Br-].[Mg+2]"]
["187360357","C1=CC=C2N[CH-]C(=C=Cc3ccccc3)C2C=1.[Y]"]
["74549456","O=C(C1=CC=C=C[CH]1)C1CCCN1"]
["172400866","NC1=C(Cl)C=CC(O)(c2cc(O)c(Cl)c(N)c2Cl)C1Cl"]
["176957042","CNc1cc(=NC2=CC=C=C[C]2OC)[nH]c2[nH]cc(C(F)(F)F)c12"]
["65526143","CCC1OCC(n2cnc3c(NC4CC4)[nH]c(=N)nc32)O1"]
["199841539","CC1=Cc2cc(=CC(C)C)ccc2=C(C2=C=CC=C3C2=C2Oc4ccccc4C2C3(C)C)[N-]1.CCC(C)(CC)C(=O)/C=C(\\O)C(C)(CC)CC.[Ir]"]
["173415306","CC.CC.CCN1C2=Nc3n(c4c(C)ccc(C)c4[n+]3CC)CCN2c2c(C)ccc(C)c21"]
["70292518","CC[N+]1=c2ccc(C(=O)N3CCCc4c(C)cc(C)cc43)cc2=NC(=O)C1=O"]
["92754952","Cc1ccc(Sc2nc(Br)cc(=N)[nH]2)cc1C"]
["MCULE-8979094952","CCOC(=O)N1CCC(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)C2c2ccc(CC)cc2)CC1"]
["79086213","CCN1C2=C(C=CC3=[N+](CC)CC[Se]3)CCN2c2c(Cl)cccc21.[I-]"]
["148543138","Cc1cnn(CCF)c1NCc1ccn(C)n1"]
["48183173","Cc1cc(C)n(-c2ccc(CC[NH2+]C[C@H]3CN=C4C=CNN4C3)cc2)n1"]
["120460939","COc1cc(C)nc(Cn2ccc3cccc(N)c32)c1"]
["20668367","c1ccc(-c2[nH+]c3c(c(N4CCN(Cc5ccon5)CC4)[nH+]2)CCC3)cc1"]
["21997561","CC[C@@H]1CN(C(=O)CNC2(c3cccc(Br)c3)CCC2)CCO1"]
["28101005","CCOC(=O)c1coc(C2=CCN(C(=O)OC(C)(C)C)CC2)n1"]
["MCULE-8253247588","Cc1ccc(N)c2cc(N3CCC(=O)C3)n(C)c12"]
["78313279","SCCCCCCCCC1=C(S)S(CCCCCCCCS)(CCCCCCCCS)C(CCCCCCCCS)=C1S"]
["172748931","COC1=C(OC)C(=O)C(CCCCCCCCCCF)=C(C)C1=O"]
["MCULE-4645164242","CC(=O)N1CCc2cc(CCCCS)ccc21"]
["196405052","CC1=C(C)C(CCCCC2(C)CC2)=C(CCCCCC2(C#N)CC2)CC1"]
["161609870","OCCCCCCCCCCCS.OCCCCCCCCCCCS"]
["107111496","O=S(=O)(c1ccc(CCCCS)cc1)C1CCCC1"]
["91947076","CN(C)c1cccc(OCCCCCCCCCS)c1"]
["83264004","CC(C)(C)OC(O)=NCCCCCCS"]
["85526817","O=C1CN=C(O)N1CCCCCCS"]
["98450337","CO[Si](OC)(OC)OC(=O)CCCCS"]
["181374647","COC1=C(C)C(=O)C(CCCCCCCCN=[N+]=[N-])=C(C)C1=O"]
["175402209","NC(CCCCS)CCCCCS"]
["149596498","CN=C(O)SCCC1CCC(CCSC(O)=NC(C)(C)C)CC1CCSC(O)=NC1CCC(CC2CCC(N=C(O)SCCC3CC(CCSC(O)=NC(C)(C)C)CCC3CCSC(O)=NCCCCCCN=C(O)SCCC3CCC(CCSC(O)=NCC(C)(C)C)C(CCSC(O)=NC(C)(C)C)C3)CC2)CC1"]
["118610655","COCC(C)(CCO)NCC(O)=NC1CCC(C)CC1"]
["96774377","CCCCCCC/C=C/CCCCCCCCCCCCC1N=CC[N+]1(CC)CCN=C(C)O"]
["5601216","CCC(C)(C)N=C(O)CSc1nc(C2CC2)nc(C)c1C(C)=O"]
["50880762","CCC(C)(CO)NCC(O)=NC1CCOCC1"]
["167553964","CCCC/C=C\\C/C=C\\CCCCCCCCC(=O)OCC(N=C(O)SCCN(C)C)C(O)=NCCCCCCCC/C=C\\C/C=C\\CCCCC"]
["33167550","CC(C)(C)C(O)=NCc1ccc(Cl)c(Nc2nc3cc(C(O)=N[C@H]4CC[C@H](C(F)(F)F)CC4)c(N4CC[C@@H](F)C4)nc3[nH]2)c1Cl"]
["157838355","CC(C)(F)C(O)=N[C@@H]1C[C@H]1CO"]
["96507890","CCC(COC(=O)CCSC(O)=NCCC[Si](OC)(OC)OC)C(CC)(CC)COC(=O)CCS"]
["142759404","COCCCCCN=C(O)c1cnn(CC(O)=NC2CCCCC2)c1"]
["67271440","CCCCCCCCCCN=C(O)C(CSC(=O)OC(C)(C)C)N=C(O)OC(C)(C)C"]
["129556661","CCC(C)(O)CN=C(O)NC1CCCC2OCCC12"]
["179302794","C1=CC(=c2ccc(=c3c4ccccc4c(=C4C=CC(=[N+]5c6ccccc6NC5c5ccccc5)C=C4)c4ccccc34)cc2)C=[NH+]1"]
["181471592","Cc1nnc(C(N=C(O)[C@H]2NC(c3ccccc3)N3CC=NC=C23)C(C)(C)C)o1"]
["182698434","CC1(C)C2CCC1(N=[N+]=[N-])C(c1ccccc1)C2"]
["32326786","O=C1CCc2cc(OCCCn3ccnc3-c3ccccc3)ccc2N1"]
["182846939","Nc1[nH]c2ccccc2c1CC1=CC=CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1c1ccccc1"]
["161675502","CC1(c2ccccc2)NC(=N)C(c2ccccc2)N1"]
["25869908","NCCc1cn(N=c2cc[nH]cc2)c2ccccc12"]
["7155723","CCn1nc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c2ccccc2c1=O"]
["142823737","CC(C)(C)CCCCN=C(O)C1Nc2ccccc2S(=O)(=O)N1"]
["15041462","O=C1OC2(CCCCC2)O[C@@H]1c1ccccc1"]
["91977145","O=C(C1CCOC2(CCOC2)C1)C1CNc2ccccc21"]
["112231885","CC(C)N=C(O)CCN=C1NC(c2ccccc2)CS1"]
["191263262","C=[n+]1ccccc1=C([O-])[NH+]1C2=[n+]3ccccc3=C([O-])[NH+]2C2CCCCC21"]
["141896722","C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1nc(-c2ccccc2)no1"]
["15456077","OC(=NC1CCN(c2ccccc2C(O)=NCC2CCCCC2)CC1)c1cccc(Br)c1"]
["163764840","CN(C)S(=O)(=O)C1CCCN(C(=O)c2ocnc2-c2ccccc2)C1"]
["10495942","C=CCN=C(O)c1cn(CCc2ccccn2)cc(C(O)=NC2CCCCCCC2)c1=O"]
["77661154","Cc1cc(C(=O)C[NH+]2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1CC1CCCO1"]
["172745483","O=Cc1c(C(=O)[O-])cn(C2CCCC2)c2cc(=[F+])ccc1-2"]
["2102307","O=C([O-])c1cccc(C(=O)N2CCN(c3ncccn3)C[C@H]2C(=O)[O-])c1"]
["161897108","C=CCSC(=C(N=[NH+]c1ccccc1)c1ccccc1)N1CCCC1"]
["8969807","C[C@@H](CN(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1"]
["137660765","CC1CCCCN1Cc1cc[n+](CC(=O)N2c3ccccc3CC2C)cc1.[Cl-]"]
["131102958","Cc1nc(-c2ccccc2)ncc1C(=O)N1C(C)CCCC1C"]
["51983857","[3H]c1c([3H])c(C)c2nc3c(nc2c1[3H])c1nc2c([3H])c([3H])c(C)c(C)c2nc1c1nc2c(C)c(C)c(C)c([3H])c2nc31"]
["45034899","Cc1cc2ccccc2nc1C(C)C(C)Br"]
["62178095","Cc1cc(C)c2cc3c(C)c(C)n(C)c3cc2n1"]
["28340235","CCCCCS(=O)(=O)NC(=O)c1cc(C)c2nc(C)n(Cc3ccc(SC)cc3Cl)c2n1"]
["190436299","Cc1ccc2c(n1)Cc1c-2cc(C)c(C)c1C"]
["46685251","CCC(N)(CC)c1noc(-c2cc(C)on2)n1"]
["26215560","Cc1ccc([O])c(-n2nc3ccc(C)c(C)c3n2)c1"]
["49627212","CN(C)c1ccc2nc3cccc(N(C)C)c3nc2c1"]
["193093694","COc1nc2cc(C)c(C)c(C)c2nc1OC.Cc1cc2nc(Cl)c(Cl)nc2c(C)c1C"]
["44340003","CC(=O)Oc1cccc2nc3c(C)cccc3nc12"]
["26689739","Cc1ccc2[nH]c(-c3ccc(P(=O)(O)O)o3)nc2c1C"]
["106403884","Cc1cc(C)c(C)c(-c2cc(C(=O)O)nn2C(C)C)c1C"]
["184398970","O=P1(O)OC2=C=CC=C3CC[C@]4(CCC5=C=C[CH-]C(O1)[C+]54)C23.[Al].[Al]"]
["109762505","COc1cc(N=C(O)COC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c(OC)cc1Cl"]
["172590232","O=C(O)C1CCC(N=C2N=CC(=[F+])C(=C3C=CC=C4N3COC43CCC3)N2)CC1"]
["185625121","CC1(c2cc([N+](=O)[O-])ccc2F)NC(=N)OC2CCC(F)(F)C21"]
["82358290","C=C1[CH]N(C2CC(O)C(CON)O2)C(=O)N([B+]C(=O)O)C1=O"]
["150765","CN1C(=O)[C@]2(C(=O)c3ccccc3)CCOC1C(=O)N2C"]
["145059741","NCC1(c2cc3c(c(Br)c2O)CCC3)CCCC1"]
["24126677","O=C1CC2(CCC3C(C(O)=NCc4cccc(F)c4)C32)Oc2ccccc21"]
["7552097","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N=C(O)Nc1ccc(CS(C)(=O)=O)cc1)C2"]
["43209050","C[C@@H](OC(=O)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12)C(=O)N(C)C"]
["60934776","CCCCC1=CC2(C)CCCC(=O)C12"]
["97423503","CO[C@@]12CCC[C@@H]1[C@@H](c1ccccc1)[C@@H]1[C@@H]([N+](=O)O)[C@H](c3ccccc3)ON1O2"]
["180870612","CN=C1N=C2N=C(C)I=C3N=C(I)I=C(N1)I23"]
["165829381","CN=C1N=C(O)C(C2(SC)CCC2)N1"]
["174512589","Cc1cccc(NN=CO)n1"]
["147232550","Cl.FC1(F)CNC(c2nc(CC3CC3)no2)C1"]
["120425817","COc1nc(=N)[nH]c(=Nc2ccc(C)c(I)c2)[nH]1"]
["115301332","CN=c1[nH]c(-c2cc(C)c(C)cc2C)nc(C(C)C)c1I"]
["115319369","CN=c1cc(-c2nccnc2C)[nH][nH]1"]
["185127170","CN=c1cc(-c2cncc(-c3cccc(-c4ccc[nH]4)c3)c2)nc(-c2cccc(C)n2)[n-]1"]
["58802406","Cc1cc2c(cn1)C(C)(C)NC2(C)C"]
["46695352","CN=c1[nH]c(CSc2ccccc2)nc(C)c1I"]
["45757852","CN=c1[nH]c(-c2cccc(C)n2)nc(C2CC2)c1I"]
["162070160","CCc1nc(C)cc2nc(=NC)[nH]n12"]
["178941816","NC1=CC#CC2C(P)C=CNC12"]
["178187485","CN=C(NN=N)C1=CC#CC(C[NH3+])C=C1"]
["56438154","CCNC1C=CC=C2NCNC21"]
["170316578","CCN1C(N)=CC2NC=CC21"]
["156281014","CCOC(=O)C1=CC2=CC(N)=CC#CC2S1"]
["179174652","NC1=CC2=C(CC=C1)C1C#CC=CC=C1O2"]
["177614028","O=C(Cl)C1=CC#CC(C(=O)Cl)C=C1"]
["195699355","N[C@@H]1NC=CC=C1Cl"]
["97972611","CC(C)Cc1c(C2C=CC=CC2(CC(C)C)c2nn[nH]n2)ccc(N)c1N"]
["180842434","NC1NC=CNC1c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21"]
["75576378","CC1C=CC(N)=CN1"]
["170338902","CCCCCC(C)(C)N1C=C(N)C2NC=CC21"]
["173847864","CC.CN/C(=C\\N(C)C=N)CC1(C)[B]C1(C)CS"]
["42165316","CCC(=CN(CC)CC)[Ge](CC)(CC)CC"]
["172339468","CCC(NC(O)(CC)NC)N(C)C"]
["109714321","Cn1ccnc1[C@@](O)(CCN[C@H]1C[C@H]2CC[C@H]1C2)C(F)(F)F"]
["67848165","CCC(=O)/C(=C/N(C)C)C(C)=O"]
["172273002","CCC(NO)N(O)CC"]
["91783404","CN(CCCCC(C)(O)CN)CC1(N(C)C)CCC1"]
["78383609","CN/C=C(/CO)NC"]
["118060009","CNC(=N)N(C)Cc1ccc(Cl)c(Cl)c1"]
["85530567","CC1CC1CN(C)CC1(CS)CCOCC1"]
["78248128","CCN(C)C.N=CO"]
["81402185","CN(C=C1C(=O)OC(C)(C)OC1=O)C(CCS)C(=O)O"]
["42974300","CC1=C(C)C2=C3C1=C(C)C1=C(C)C(C)=C4C(C)=C5C6=C(C(C)=C7[C@@H](C(=C2C)C(C)(C)C7(C)C)C36C14)C(C)(C)C5(C)C"]
["194944119","CC1=CC(O)CC(C)=CCC2(C)CCC(O)(C(C)C)C2CC1"]
["88541577","Cc1c(C(C)NC2CCOC(C)(C)C2)sc2ccccc12"]
["109083335","Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C(=O)[C@@]3(C)C(c3ccccc3)=C2c2ccccc2)c1"]
["MCULE-8170919735","COc1cccc(-c2cc(Cl)n3nc(C4CCC4)c(C(C)C)c3n2)c1OC"]
["75607965","CC1=C(c2ccccc2)C(=O)C(C(=O)c2ccccc2)[C@H]1C"]
["98195341","C[C@@H](N)C(=O)N1C(=O)C(N)CCCC(N)C(=O)[C@@]1(C)C(=O)O"]
["34101614","CC(C)[C@]1(O)CC[C@@]2(C)CCC[C@](C)(O)[C@H](O)[C@H]21"]
["87468256","Cc1oc2ccccc2c1C1CNCC1C(=O)O"]
["194956326","CC1=CCC(C)C2=C(C)C(C)(OC2=O)C(C)(C)C=C(C)C1=O"]
["91414123","CC1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)c2ccccc21"]
["90839613","CN(C)C12CC3=C(CCCCC3)C1C(=O)C(c1ccccc1)=C2c1ccccc1"]
["159209981","O=C(c1ccsn1)c1ccns1"]
["163078763","CSc1ccsc1C(=O)c1ocnc1C"]
["162963444","O=C(O)c1ccnc(N2CC3CC3C2)n1"]
["94707742","O=C(c1cn(C2CNC2)nn1)c1occc1Br"]
["154323157","COc1nsc2nc([C@H]3CCCN3C(C)=O)ccc12"]
["157744554","Cc1nsc(C)c1C(=O)N1CC(C)(C#N)C1"]
["171666281","O=C(O)c1cc2sc3ncccc3c2nn1"]
["15271190","CCOC(=O)c1onc2cccnc12"]
["65456083","COc1cc(C(=O)N2CCCN2C(=O)c2ccncc2)nc2ccccc12"]
["181326740","CC(=O)c1csc(C(=O)c2cn(C(=O)OC(C)(C)C)c3ccccc23)n1"]
["45370413","CCN(C(=O)c1ccon1)C(C)CC(=O)O"]
["87869686","O=C(O)c1cnn(-c2ccc(F)cc2)c1-c1cccs1"]
["179324724","NN1CNc2nnn(P)c2C1"]
["195456920","NC1NC=NC2=C1N=CN(N)C2"]
["100581068","N=NN=C(O)c1c(I)nn2c1CN(N)CC2"]
["163543033","O=[C]N1CCC(=O)/C(=C/O)C1"]
["112392027","Cl.c1ccc(-n2nnc3c2CCNC3)cc1"]
["158405828","c1c([C@@H]2CCNC2)nnn1C1CC1"]
["198436527","O=C1N=C(O)CCC1n1c(O)nc2c1OCCN2"]
["86942199","NCCN1C=C(C2=NC3=CC(=O)C=CC3=N2)NN1"]
["159173332","C[C@@H]1C[C@@]1(C)n1[nH]nnc1=N"]
["106732104","CN1CCC[C@@H]1c1nnc2n1CCN(c1ncccn1)C2"]
["151439509","CN1CCC[C@@H]1c1nnc2n1CCNC2"]
["162450116","CC1CCC1n1nnc2c1CCNC2"]
["170687398","C#[N+]C=CC=c1[nH]c2c(c1N)C=C[N-]C=2.[W]"]
["61219311","[CH+]=C1C=C[N-]C=C1F"]
["179685553","[CH-]=CC1=C[N-]C=CC1=C=O.[U+2]"]
["179243495","C#[N+]/C=C\\C=C(/C)c1cc(C(F)(F)F)n(C2=CNC(N=C(O)c3ccc(C)cc3)C=C2)n1"]
["52551316","CN1C=C2C=C[N-]C=C2CC1"]
["176465654","C=C(/C=c1/c(-c2cc3c(C4=CCC=C4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(N)c1"]
["167577464","S/C=C\\C=C1/C=CN1"]
["64305204","Nc1c(-c2ccc(C3=NCCN3)cc2)[nH]c2cc(C3=NCCN3)ccc12"]
["175405649","CCC.[B+]=c1ccc(F)c2c1=C[N-]C=C2"]
["178118177","C#[N+]/C=C/CCC1C=N1"]
["200262859","CC.CC.[B+]=C1C=C[N-]C=C1"]
["149935403","C#[N+]C=CC=CC"]
["171370543","CSC1C=[C-]C(=[Si]=C2C=CC(=[S+]C)C=C2)C=C1"]
["MCULE-8832168371","Cc1cc(Cl)ccc1Cn1ncc(C2CCCC2)c1Br"]
["113469982","Cc1cn(C2C(C)(C)C2(C)C)c(=N)[nH]1"]
["77979833","Cc1ccc2c(n1)C=CC(C(O)=NCCCN=C(O)C1C=Cc3nc(C)ccc3C1=O)C2=O"]
["179887104","[B]C(C)C1C=[C-]C(=[B+])C=C1"]
["178853236","CC1=C(Cl)C(Cl)C=C1"]
["174634116","CC.CC.[B+]=C1[C-]=CC(CC)C=C1"]
["79100746","CC1=C=C2C=CC=CC2[CH]C=C1"]
["48069064","COC1[C-]=CC(C)=C=C1.[Y]"]
["192240380","Cc1ccc2c(c1C)CC1C=CCN21"]
["99740322","[B+]=C1[C-]=CC(COOC)C=C1"]
["180933168","CC1=CC(c2ccc(Cl)cc2C)C(C)C=C1"]
["172625324","Clc1c(Cl)c2c(Cl)c(Br)c3c(Br)c(Br)c(Br)c4c(Br)c(Br)c(c1Cl)c2c34"]
["159269971","COc1ccc(OC(F)(F)F)c(Cl)c1Br"]
["68165072","Oc1c(Cl)c(Cl)c(Cl)c2c(O)c(Cl)c(Cl)c(Cl)c12"]
["56650800","O=c1c2c3c(=O)n(-c4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)c(=O)c3c3c(=O)n(-c4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)c(=O)c3c2c(=O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["183077138","O=S(=O)([O-])c1cc(Cl)c(Cl)c(-c2c(Br)c(Br)c(Br)c(Br)c2Br)c1Cl"]
["69978902","COc1c(Cl)cnc(Br)c1Cl"]
["162387170","Cc1c(F)cc(Cl)c2nccc(Br)c12"]
["159270522","O=Cc1ccc([N+](=O)[O-])c(Br)c1Cl"]
["171001975","CC(=O)c1ccc(C)c(Br)c1Cl"]
["57928759","Clc1c(Cl)c2c(Cl)c(Cl)c3c(Cl)c(Cl)c(Cl)c4c(Cl)c(Cl)c(c1Cl)c2c34.c1ccccc1"]
["167392114","Clc1c(Cl)c(Cl)c2c(c1Cl)C1c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2c2c(Cl)c(Cl)c(Cl)c(Cl)c21"]
["25061447","CC(C)c1c(Cl)c(C(C)C)c(CCl)c(Cl)c1Br"]
["79785573","C[SiH](C)OC(P)(CCBr)CCCCCCCCCCCCCCCCCCCCCC(C)(C)C"]
["190267392","CC(C)(C)CCCCCc1c(O)ccc(CCCCC(C)(C)OC=O)c1O"]
["142880064","CCOC(=O)C1CCN(C(O)=NCCCCC(C)(C)C)CC1"]
["113062085","CCC(C)(CCBr)N=C(O)CS(C)(=O)=O"]
["79037138","CCCCCCCCC(C)(CCCCCCCC)C(C)C([O])=O"]
["97082398","C=CCCCCCCCCC(Cl)(Cl)CO[Si](C)(C)C(C)(C)C"]
["97575049","CCCCCCCCCCC(O)(CCCCC)CCCCC"]
["166825157","CC(C)CCN(CCC(C)C)CN(CCC(C)C)CCC(C)(C)C"]
["79604099","CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)(CC(=O)O)SCCC(=O)O"]
["172675217","CCC(C)(C)C(C)(C)OC(=O)CCCCCC(C)(C)C"]
["24924836","CCCCCCCC(C)(C)[SiH2]O"]
["181776443","CC(C)(CCCCCCCCON=[N+]=[N-])c1ccccc1"]
["47645265","C[Si](C)(CI)CCC[Si](C)(CCC[Si])CCC[Si](C)(C)CI"]
["193710013","CC[Si](C)(CC)CCC[Si](C)(CC)CC"]
["96551718","CC[C@@H]1CC(=O)[C@H](CCC[Si](C)(C)C)C1"]
["194707376","CC(C)(C)[Si](C)(C)C[Si](C)(C(C)(C)C)C(F)(F)F"]
["172092853","C[SiH](C)C[Si](C)(CC[Si](C)(C[SiH](C)C)C[SiH](C)C)C[SiH](C)C"]
["83977706","CCCC[Si](C)(CCCC)CCCN(CCC)CCC"]
["48975881","C[Si](C)(C)CCC(=O)[O-]"]
["161908356","C[Si](C)(C)OP(C)(=O)OCCCI"]
["172822889","CCCC[Si](C)(CCCC)CCC(C)CC"]
["185824571","Cn1ccnc1CCCI"]
["48186347","C[Si](C)(CCCO)CCC1OCCO1"]
["91365217","C[Si](C)(CI)CCC[Si](CCC[Si](C)(C)CI)(CCC[Si](C)(C)CI)CCC[Si](C)(C)CI"]
["179549363","C[N+]1=NC1(C)CCC(=[OH+])[N-]CCI"]
["90041321","Cc1ccc(-c2nc(CCC(=O)O)[nH]c2Br)c(C)c1C"]
["161762190","CCC(O)CC(=O)CCC1(C)OCCO1"]
["46316881","CC(CC(=O)O)C1(C)N=N1"]
["169919389","N=C(S)CCCCCCCCCCI"]
["148613365","CC1(CCC(=O)ON2C(=O)CC([SH](=O)=O)C2=O)N=N1"]
["97915853","CCC[C@@H](I)C(=O)[C@@H](CC)[Si](C)(C)C(C)(C)C"]
["83617219","CCc1ccc([N-]C(=[OH+])C[N+]2=CC=[N+](c3ccc(OC)cc3)C(=O)C2=O)cc1"]
["67584471","CCOC(=O)C1(CCCCI)CCC1"]
["160388640","Cc1nc(O)nc(C)c1CCC(O)=NCCC1(C)CC1"]
["418670","CCCCCCCCCC[n+]1ccc(C(=[OH+])[N-]CCCCCC[N-]C(=[OH+])c2cc[n+](CCCCCCCCCC)cc2)cc1"]
["MCULE-4300601799","COc1ccc(CCC(O)=Nc2nc(C)c(-c3cc(C)c(OC)c(C)c3)c(C)n2)cc1"]
["154097965","SB1BB[C@H]2BBBBB[C@@H](B1)B2"]
["158400609","C/C(=C/[C@@H]1C[C@H]2C=C[C@H]1CC2)CN"]
["158400610","C/C(=C/[C@H]1C[C@H]2C=C[C@H]1CC2)CN"]
["79330414","CC(C)(C)C(CCN(C(=O)O)C(=O)O)(C(C)(C)C)C12BBBBBBBC(BB1)B2"]
["101062341","B1C2BC3BC1BC(B2)B3"]
["78368154","B1BBBBC2BB(BBB1)C2"]
["167105204","B1BBBC2BBC(BBB1)B2"]
["83230352","B1BBC2BBBC(BB1)BB2"]
["24435045","B1BBBBC2BC(BBB1)B2"]
["52576520","O=NC=C1NOC(N=O)=C1N[O-]"]
["81350899","CCCCN1CCNC1=CN=O.Cl"]
["197791639","CC.Cc1noc(N=O)n1"]
["166579793","CC1=CN(C)N/C1=C\\N=O"]
["163454001","O=N/C=C1/C=CC(C(O)=NNC=C2C=CC(=O)C=C2)=CN1"]
["81068561","O=NC=C1CCCCN1.O=[N+]([O-])[O-].[Ag+]"]
["63405160","CCn1cc(C(=O)O)c(=O)c2c1N/C(=C/N=O)C(F)=C2"]
["58341410","CC(C)SC1=N/C(=C\\N=O)C=NN1"]
["163945024","CC1=C(N)/C(=C(/C)N=O)NO1"]
["64010032","CC1=C(C(O)=NN=CC2=CC(=O)C(=O)C=C2)NON1"]
["52696878","O=N/C=C1/CC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)ON1"]
["91109984","CCCC1=[N+]([O-])ONC1=CN=O"]
["149719409","CPC1N=C(SSC2SC(PC)N(C)N2C)NN1C"]
["147347322","CN1CCNCC1c1noc(CC2CCc3ccccc3C2)n1"]
["107447530","Cc1c([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCCC2)cnn1C"]
["157992873","Cc1nnc(Cl)n1[C@@H]1CCS[C@H]1C"]
["152949570","Cn1nnnc1SCCN=C(O)N1CCC[C@@H](c2ncc[nH]2)C1"]
["157525109","CN1CCNC[C@H]1c1noc(C[C@@H]2CCc3ccccc3C2)n1"]
["175659489","Cc1ccn(CCN=C(O)C2CNCCN2)n1"]
["77812006","OC1=NC(SCCBr)NCC1"]
["23696309","CC(=O)c1c(C)[nH]c(C(=O)C(C)Sc2nnc(C)n2C)c1C"]
["65004470","Cc1nnc(CNC2CC2C)n1C"]
["85708713","CC1=C2NCC(CCS(C)(=O)=O)N=C2N(C)N1"]
["90111521","CC1CSC(SC2CCNCC2)=N1"]
["26285359","C=C1C=C[C]2OC(=N)NC2=C1"]
["166752266","N=C1NC(c2ccc(Br)cc2)=CC(=C2C=CC=CC2=O)N1"]
["98051147","C=C1NC(c2ccc(C(C)(C)C)cn2)=NO1"]
["195946281","CC1=NCN=c2c(=N)[nH]oc2=C1"]
["85777781","CC(C)CC1(c2o[nH]c(=N)c2-c2ccccc2)CCCC1"]
["98160631","C=C1C=Cc2ccccc2O1.CC"]
["94173672","COC(C)C1(C)COC(=N)N1"]
["42974724","C=C1C=CC(=N)CC1"]
["74687785","C=C1C=C2C=CC(F)=C[C]2O1"]
["82432540","C=C1N=C2C=CC=C(NC(C)C)C2C(=N)N1"]
["162726747","N=c1cc(C2C3COCC32)o[nH]1"]
["75972468","C=C1C=CC(=O)C([O])=C1"]
["178159451","CNC1=NCN=C(N)C(NC)=NPN=C1N"]
["42481858","CNCc1cc(N)ccn1"]
["111726387","CCS(=O)(=O)c1c(N)nsc1NN1CCN(C)CC1"]
["115254918","CNc1ncnc(NC2CC(C)(C)CC(C)(C)C2)c1Br"]
["163871253","CNc1ccc(N)c2nonc12.Cl.Cl"]
["95725302","CCOC(C)(C)C(NC)c1cccnc1N"]
["184386268","CNc1c(F)cc(C2CC2)nc1F"]
["60166305","CCC(C)C1=NCN=N1"]
["67747355","CNc1c(C)nn(N)c1N"]
["180399177","CNc1ccccc1C(N)N(C)C"]
["173206462","CCc1cc(N)c2cc(NC)ccc2n1"]
["184916155","CCC1CN=C(/C(=C\\N)NC)OC1"]
["178651913","C=C/C=C(\\[C-]=C(C)c1[c-]c(-c2oc(-c3c4ccccc4c(-c4oc(-c5cccc6c5sc5c(-c7cccc(-c8ncnc9ccccc89)c7C)cccc56)c(C)c4C)c4ccccc34)c(C)c2C)ccc1)c1cccc(/C(=C\\C)c2ccccc2N=C)c1C.[U+2]"]
["15999336","Cc1c(C(O)=NNC(O)=Nc2nnc(-c3ccccc3)s2)oc2ccccc12"]
["24313243","CCC(C)N=C(O)CSc1ncnc2ccccc12"]
["14410383","Cc1c(Cl)cccc1N=C(O)c1cc(-c2ccccn2)nc2ccccc12"]
["164679445","c1ccc2/c(c1)=c1/cccc(-c3cccc4c3sc3ccccc34)/c1=c1\\cccc\\c1=c1\\c=2ccc2ncccc12"]
["102249913","COc1cccc(N(CCCC(O)=Nc2ccccc2C(O)=NC[C@@H]2CCCO2)S(C)(=O)=O)c1"]
["33803625","Oc1ccc2ccccc2c1-c1ncnc2ccccc12"]
["42336837","COC(=O)COc1ncnc2ccccc12"]
["91343338","CCSc1ccc(-c2ccc(-c3ncnc4ccccc34)s2)s1"]
["167489354","Cc1oc2c(c1C(O)=N[C@@H]1COC[C@H]1Cc1ccnc3ccccc13)C(=O)CCC2"]
["175240209","C=CC/C=C\\N=C(C)C(=C)[C-]=C(C=C)N(c1[c-]c(-c2ccccn2)ccc1)c1ccc(F)cc1.[Pt+2]"]
["MCULE-8553506321","Cn1cc(-c2ccccc2C(=O)N(c2ncnc3ccccc23)C2CCN(C(=O)OC(C)(C)C)C2)cn1"]
["66617989","[CH2]OP(=S)([O+]=C)SCN1NC([O+]=C)=S=C1O"]
["42619866","COP(=S)(OC)SCc1ccc(Cl)s1"]
["115007138","NCC(NC(=O)c1ccc(O)nn1)c1ccccc1"]
["78322029","C=[C-]COCc1[c]cccc1.[Li+]"]
["130154148","CSc1ccccc1N=C(O)CN(C)Cc1cccc(Br)c1O"]
["68103943","CCCCSP(O)(=S)OC"]
["174470097","N=c1nc(O)n(C2CC(COP(O)(=S)N3CCOCC3)C2)cc1F"]
["86403942","CCCn1c(O)nnc1Sc1nc(=NC)nc(OC)[nH]1"]
["25280544","CCCSP(=S)(OCC)Oc1ccc(N=C(S)c2ccc(C)cc2)c(C)c1"]
["60856761","CCOC(=O)c1ccc(N2CSC(SP(=S)(CC)CC)C2=O)cc1"]
["74136933","[CH2]Oc1nn(C)c(=S)nc1O"]
["62062407","CCCn1c(O)nnc1Sc1ccc(Cl)cc1C(=N)N"]
["170682786","ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Oc2ccnc(OP3(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N3)n2)=N1"]
["75158897","CC(C)(C)c1ccc(Oc2cccnc2Br)nc1"]
["63022612","CC(C)(C)c1nc(C(C)(C)C)c2cccnc2n1"]
["91869982","COc1nccnc1-c1ncccc1O"]
["135144246","Cc1nn(-c2ccccc2)c(C)c1N=C(O)c1cccnc1Br"]
["64399246","CN=c1ncc(-c2ccnc(N(C)C(C)OC)n2)c[nH]1"]
["67983682","CC(C)N=C(O)C(C)Oc1cccnc1Cl"]
["113061023","CCC(C)(CCCl)Nc1ncccc1C(F)(F)F"]
["181764485","FC(F)(F)c1ccc(COCC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1Cl"]
["169922592","CCc1nn(-c2ccc(C(F)(F)F)cc2)c2cccnc12"]
["92215690","CCOc1ccnc(-n2cnc(-c3cccc(N)c3)n2)n1"]
["115067712","COc1ccnc(Oc2ccccc2C(=O)O)n1"]
["149002872","CC(C)CN=C1C=C=CC=CC1N(CC(C)C)[GeH]=[O+][GeH]=[N+](CC(C)C)[C-]1C=CC=CC=C1[N-]CC(C)C"]
["187123284","C/C=C1/C=CC(C)C=C/C1=N/[N+](=C\\C)CC(C)C.CC"]
["99089997","CC1C=NCN(C2=CC=C(CC3=NCN4CC=CCC(C5=CC=CC=C=C5)C4=N3)CC=C2)C1"]
["197512622","C[C@@H](CC(=O)N1CC2(C)CC1(C(=O)O)C2)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["93905915","COc1c(C2NC(=NCC(C)C)N=C2O)c(C)nn1C"]
["197229522","CC(C)CN(CC(=O)O)C(=O)C(CC(F)(F)F)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["197246711","C[C@H](CC(=O)N(C)Cc1ccc(C(=O)O)cc1)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["27419334","COCCCCc1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(O)C(C)C)C2)nnn1-c1ccccc1F.O=C(O)C=CC(=O)O"]
["128269109","COC(C)CN(Cc1ccccc1)CC1CCOCC1"]
["25229190","CC1=CC=C2C(=[C+]C3=C=CC=CC32)[C-]1[Si](C)(C)C1C2=C=C3C=CC=CC3C2=CC=C1C"]
["22571919","COc1ccccc1[C@H]1CN(Cc2cccnc2)C[C@H]1CN(CC(C)C)C(=O)c1ccccc1"]
["78759321","CC(C)c1ccccc1-c1cccc2c1C=C(C(C)(C)C)C2C[SiH2]CC1C(C(C)(C)C)=Cc2c(-c3ccccc3C(C)C)cccc21"]
["96861299","[N-]C(CC1=C[NH2+]C2=C1[CH+]C(=[OH+])C=C2)[C+]([O-])[O-]"]
["43810967","COCCN1CCN(C(C)Cc2ccc(C)cc2)CCC1=O"]
["19553303","C=CCN(CC=C)CC1=C[NH2+]c2ccccc21"]
["95360660","C=CCCC(CC1=CCCCC1)NCC"]
["195110470","C1=CN2C=C3CCCCC3=CC2C2=C1c1ccccc1[NH2+]2"]
["20408291","CCN1CCN(C2CCN(CC3=C[NH2+]c4ccccc43)CC2)CC1"]
["20250204","C[C@@H](C(=O)N1CCN(CCC2=C[NH2+]c3ccccc32)CC1)C1CC1"]
["185829850","O=C(CS1(#I)CCCC1)C1=CCCCC1"]
["83429484","CN1C(=O)C2CN(CCC3=C[NH2+]c4ccccc43)CN=C2N(C)C1=O"]
["22278010","CC[C@@H](CC1=C[NH2+]c2ccccc21)/N=C/C1C(=O)N(C)C(=O)N(C)C1=O"]
["120988755","CCc1ccc(S(=O)(=O)C(C#N)CC)cc1"]
["183985689","COc1ccc(COc2ccc(C(=O)N3CC[C@H](OC)C3)c(ON=[N+]=[N-])c2)cc1"]
["188807860","CC(C)Nc1cc(-n2cccc2)cc2c1C(C1=NC3=NC(C#N)=NC4=NC(n5cnc6cc(-n7cccc7)cc(NC(C)C)c65)=C5C=CC1=C5C34)C=N2"]
["144043620","N#Cc1ccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)cn1"]
["150050978","CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(O)=NCC(F)C(C)O"]
["196517013","Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@@H](C(=O)[O-])C4)cc(C#N)c3o2)c1C.[K+]"]
["182806291","CC[C@@H](Nc1[nH]c(=Nc2cncc(-n3cc(C)cn3)c2)c(C#N)cc1F)[C@H](C)N=[N+]=[N-]"]
["174021289","CN=CC(=CN)c1ccc2c(c1)ncn2-c1ccc(CC(O)Nc2cc(C(C)(C)C)no2)cc1"]
["173711898","Cn1c(=O)cc(NC(C)(C)c2ncccn2)c2cc(Nc3cc(C(=O)N4CC(C(F)(F)F)C4)nc(Cl)c3C#N)ccc21"]
["MCULE-9414507284","COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(-n4cccc4)cc3)n2)cc1Cl"]
["164422482","C[C@@H]1CC(c2cnc3c(C#N)nn([C@H](C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCC[C@H]1C"]
["62211037","CCCOc1cccc(C2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)c1"]
["181549787","N#Cc1ccc2c(c1)ncn2-c1cccc(N2C=CC=CC2)c1"]
["192670550","C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CNC2CN(c3cnc4c(c3)CCC4)C2)O1"]
["26893519","C=NCc1cc(N(CCCl)CCCl)cc(N(CCCl)CCCl)c1"]
["42503507","CCN(CCCl)c1ccc(C=C(C#N)C(=N)O)c(C)c1"]
["85794443","CCN(Cc1ccccn1)c1ncc(CCl)cc1Cl"]
["CSSS20621755591","CCC1(CN(Cc2ccnc(O)c2)C(O)=Nc2ccccn2)CCC1"]
["34493781","S=P(OCCCl)(Oc1cc(Cl)c(Cl)cc1Cl)Oc1cc(Cl)c(Cl)cc1Cl"]
["183204321","Cc1c(Br)cc(Cl)cc1CN=[N+]=[N-]"]
["23958238","O=C(O)CCN(CCC(=O)O)c1ccc(O)cc1"]
["49779686","CCCN(CCC)c1ccc(-n2c3ccc(N(CCC)CCC)cc3c3cc(N(CCC)CCC)ccc32)cc1"]
["156823730","CCN(CCN=C(O)C[C@@H](C)[C@@H]1CCCNC1)c1cccc(C)c1"]
["137055109","OCCN(CCO)C(O)=Nc1ccc(Cl)cc1OC(F)F"]
["55708358","CCCN(CCN(C)C)c1ccnc(CNC(C)C)c1"]
["MCULE-5479600699","COc1cc2[nH]c(C(=O)N(CCCl)CCCl)cc(=O)c2c(OC)c1OC"]
["190854520","CO[Ge](CC(OC)(OC)OCCOC(C)COCCO[Ge](CC(O)(OC)OCOCC(C)OCCO)(OC)OC)OCOC(C)COCCO"]
["144655712","CCCCCCCCCCCCCCCCCC(=O)OC(C)COCCO"]
["112571447","CC(C)OCCOCC(O)CNCCOCC1CC1"]
["191674327","COCCOCC(C)Oc1c(C(C)c2ccccc2)cc(C(C)C)cc1C(C)c1ccccc1.COCCOCCOc1c(C(C)c2ccccc2)cc(C(C)(C)c2cc(C(C)c3ccccc3)c(OC(C)COCCOC)c(C(C)c3ccccc3)c2)cc1C(C)c1ccccc1"]
["120379938","CN=c1nc(OC)[nH]c(=NC(CO)CCOC)[nH]1"]
["MCULE-6623312124","CCC(C)c1ccc(NC(=O)COc2cn(CCOCCO)c(CSc3nnnn3C)cc2=O)cc1"]
["113343559","CCc1nnc(OCCOCC(C)C)c(C(=O)O)c1CC"]
["51664533","COCC(O)CN(C)c1nc(OC)nc(OC)n1"]
["192340181","COC(C)COC(C)CO.COCCOCCOCCO"]
["111768391","COCCOCCCOC(C)CNCC(F)(F)F"]
["98400612","COC(CCC1OCCCO1)COCCOCCO"]
["173426990","CC(C)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO"]
["179346416","[CH2-][N-]OC1CCI=C[I+]C1[OH2+]"]
["120914424","COc1cc(C)c(C2CCC(=O)CC2)cc1C"]
["180139390","CC1C=C=ICC1"]
["172644019","CC(C)(C)OC(O)=NN1CCC[C@H]1c1ncc(Br)[nH]1"]
["198431525","COc1nc(Cl)cc2c1[C@@H](N1CC(OC)C1)CC2"]
["172342337","CO[Si](OC)(N1CCC(C)c2cc(C)c(C)c(C)c21)N1CCC(C)c2cc(C)c(C)c(C)c21"]
["89661708","COc1cc(C)c(C2CCC3(CNC3)C2)cc1C"]
["179698078","[CH2-][N-]C(C)CO[C@@H]1CCCC[C@H]1[I+]C"]
["94238588","COC1(C(N)c2ccc(Cl)c(Cl)c2)CCC(C)CC1"]
["95880038","COc1cc(C(=N)S)ccc1N=C(O)C1CC1"]
["MCULE-1297349865","C=C[C@H]1C[C@@]1(N=C(O)OC(C)(C)C)C(O)=Nc1ccc2nsnc2c1"]
["92345814","COc1cc(C)c(C2CCCCC(=O)C2)cc1C"]
["178523987","C=C1CC(=NC)NN=C1CC(C)CCC1=NNC(=NC)C1=C"]
["141224169","Cc1nc(CC(C)C)c(C(O)=NC2CCNC2)s1"]
["96114243","CCCC(C)CC(=O)C1(CN)CCCC1"]
["1530357","CCC[C@H](C)CC(O)=Nc1cnn(CCO)c1"]
["46313847","CCC(C)CN1CC(CC(C)C)NCC1CC(C)C"]
["19506920","CC(C)C1=NNC(=NC(=O)[C@@H](C)N=C([O-])OC(C)(C)C)C1"]
["111793579","COC(C)Cc1ncc([C@H](C)N)c(C)n1"]
["113476665","COC(C)CNc1ncc(C)[nH]1"]
["59335304","CCC(C)CCCCC1=CC(=O)CCC1"]
["146513224","CN=C(NCc1cnc(C)s1)NC(C)Cc1ccc(C)s1"]
["156116554","C[C@H](CCC(=O)O)Cc1nc2cccc(S(N)(=O)=O)c2[nH]1"]
["42511954","CCCC(C)CCCCC(CCC(C)CCC)N=C(O)NN=c1nc(C)[nH]s1"]
["178226652","CC12CI(Br)CCC1CS[C@@H]1CC=CC[C@@H]1[C@]2(C)O"]
["82371493","CC12CCC(=NNS(C)(=O)=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O"]
["159162066","CC1(N=C(O)[C@H]2CNCCS2)CC1"]
["76281577","CC1(C)C2CCC(CN=C(O)C3CSC45CC=CC=C4N=CCC35)C1C2.Cl"]
["54508429","C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C"]
["180157540","CC(C)(N)N[C@H]1CC2C(CC[C@@]3(C)C2CC[C@@H]3O)[C@@]2(C)CCC(=O)C=C12"]
["MCULE-8907683707","CC1(c2cccc(-c3cnc(N=C(O)C4CCc5ccccc5O4)nc3)n2)OCCO1"]
["89718278","CC1(C)CNC2CN(c3ccccc3Br)CCC21"]
["65853550","CC12CCC(C1)C(C)(C)C2NC(=O)c1ccc(Br)cn1"]
["1072830","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C"]
["96904485","CC1(C)c2ccccc2C(C)(C)N1O[C@@H]1C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]2CC[C@@](O)(C(C)(C)O)C=C12"]
["17494390","C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(C)O"]
["147854453","CCCC[B-]1(CCCC)C2=[N+]=CC=[N+]2[B-](CCCC)(CCCC)[n+]2cccn21"]
["170895392","CCCCC(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(C(=O)CCCC(=O)O)cc1"]
["24834998","CCCCC(C#N)(Cn1ccnc1)c1ccc(Cl)cc1Cl"]
["17242344","CCCCN(CCCC)S(=O)(=O)NCCc1nccn1CC(F)(F)F"]
["175003527","C=C[n+]1ccn(CCCC)c1.CO.[Cl-]"]
["54381697","CCCCC.[CH-]=C1[C-]=CC=[C-]C1.[Y+3]"]
["25966801","CCCCSCC(Cn1ccnc1)Sc1ccc(Cl)cc1Cl"]
["MCULE-7513575481","CCCCC(CC)CC(O)=NCC(c1ccccc1)S(=O)(=O)c1ccccc1"]
["MCULE-2082057209","CCCCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2cccc(Cl)c2Cl)C1=O"]
["33738213","CCCC/C(C#N)=N/Nc1ccccc1"]
["54533227","CCCCn1cccc1CNC"]
["112221098","CCCOc1cccnc1NC(CC)CCC"]
["173763787","[B]C1(I)C=CC=CC2=C1c1sc(I)cc1N(S(=O)C1=CC=CC(P)C=C1)C2"]
["181043277","O=S(=O)=C1C=CC=CC1C(O)=NN1CCOCC1"]
["18537531","COc1ccc(CN2CC[C@@H]([NH+](C)Cc3cc4ccccc4s3)CCC2=O)cc1"]
["175471025","CC1CC=C(c2ccc3sc(C4(CN(C)C)CC4)nc3c2)N(C(=O)O)C1"]
["98603927","O=C1C=CC=c2cc3c(cc21)=CC12C=CC=CC1=CSC2C3=O"]
["178450395","N#Cc1ccccc1Cn1c(N2CCC[C@H](N)C2)nc2cc(I)sc2c1=O"]
["69685790","O=C1C=C2C(=NN=C3C4C=CC=CC4=NN23)C23C=CC=CC12C3"]
["126509826","Cc1cnc(C(NC(O)=Nc2ccccc2CS(C)=O)C2CC2)s1"]
["180785409","CN1CN(CCC2=CC=CC3C=CC=CC23C)C=C1c1cc(-c2nn[nH]c2I)ccn1"]
["172874595","Cc1c(Nc2ccc(I)cc2F)cc2n(c1=O)CC(NS(=O)(=O)C1CC1)S2"]
["174262173","COc1ccc(CN2CCc3cc(CCC(O)=NS(C)=O)sc3C2CN)cc1"]
["178784977","FC1C=Cc2n[nH]cc2C1c1noc(C2=CCN(CC3CNC3)CC2)n1"]
["195502016","C[B]N(C)C12C=NC(F)(C=NC(F)=C1)C2"]
["189136042","Fc1ncccc1C1CC(F)(F)C1"]
["MCULE-8030840461","CCc1nccn1CCC(=O)N1CCN(CCN(C)Cc2cnccn2)CC1"]
["CSSS02509525036","CC1(COc2cccnc2F)CC2(CC(F)(F)C2)C1"]
["14911114","CN(C(=O)C1(C#N)CCCC1)c1ccc(F)cc1"]
["170382576","CC(C)N(C)C1(C(C)C)CC(F)(F)C1"]
["171460517","CN1CCN(c2nnc(N(C)c3ccc(F)cc3)n2C)CC1"]
["117271725","Cn1ccnc1CC(O)=NC1(c2ccccc2F)CC1"]
["155931848","Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C"]
["118794370","CN=C(NCCCc1cccc(F)c1)N(C)Cc1cnn(C)c1"]
["194485404","COC1(F)C=C(F)C=C(N(C)C)C1"]
["175215586","Cc1cc(C2(C([O])=C3C=C3)CC2)c(F)cc1O.[HH]"]
["175109979","O=[N+]([O-])N(CNC(F)F)CC(N(CNC(F)F)[N+](=O)[O-])(N(CNC(F)F)[N+](=O)[O-])N(CNC(F)F)[N+](=O)[O-]"]
["109658308","C[C@H](Sc1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F"]
["159254647","O=[N+]([O-])c1cc(F)c(C(F)(F)F)cc1OC(F)F"]
["170115048","CC(C)=CCN(c1ccccc1[N+](=O)[O-])C(C)(C)C"]
["137452538","CC(NCC1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1"]
["65916587","COC(OC)C(C)NCc1ccc([N+](=O)[O-])o1"]
["112807402","O=C(O)c1cc(=NCCOCC(F)F)[nH]cc1[N+](=O)[O-]"]
["186089293","O=C(N(CC=CCBr)c1ccccc1[N+](=O)[O-])C(F)(F)F"]
["60578061","CNCCC1CCN(c2ccccc2[N+](=O)[O-])CC1"]
["173870913","O=[N+]([O-])OC(O)(O[N+](=O)[O-])C(O)CBr"]
["162894849","CC(CF)Nc1ccc([N+](=O)[O-])cc1"]
["145584072","N=c1[nH]cc([N+](=O)[O-])c(CN)c1C(F)F"]
["153972757","[NH3+][C@@H]1NC[C@@H]2C=C[C@H]3c4c(ccc1c42)[C@H](O)C#C[C@H]1[C@@H]([O+]=C2C=C(CCC(=O)C[C@H](O)[C@H]4C=C[C@H](C5CCCC5)C[C@H]4O)C(=O)C=C2OC#CC12CCCC2)n1cc2[n-]cc3c2c1"]
["170667075","O=C1N(CC2CC(C(F)F)C(N=C(O)c3cccnc3)CC2Cl)c2ccccc2[C@]1(O)C[C@@H](O)c1ccccc1"]
["180001967","CCCCOC(=O)CCCC1(c2ccccc2)C2c3cc4c5c6c7c8c9c%10c%11c%12c8c(c3C=%12C3=C8C(=CC321)C=C1C=C2CC3CC%12C=5CC7%12C=9C3C2C%10C1C8%11)c46"]
["195101064","COc1cc(C=CC(=O)CC(=O)CCCC(CCC2(O)CCCC2)CC2C3CCNCC3CC3C=CCNC32)c(CC2=CNC(N)C=C2CCc2cccc(CCc3ccccc3)c2)cc1O"]
["195110537","CCCCC[C@H](C(=O)CCc1cc2c(cc1O)OC#CC1(CCCC1)[C@@H]1C#C[C@H](O)c3ccc4c(c3CC3=CN=C5CN(C=C35)[C@H]1O2)CCN[C@H]4[NH3+])[C@H](O)[C@H]1C=C[C@@H](C)C[C@@H]1O"]
["194870573","NCOc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OCc4cccc(O)c4)c3CC[C@@H]2C2(c3ccccc3)CCCCC2)ccc1O"]
["194895556","CC1(C)OC2CC(=O)OCC23C2C4C=CC5C=CC13C(=O)C(O)C52C12OC1C(=O)OC(c1ccoc1CC(C(O)CO)C1CCC3C(C=CN5CNCC35)C1)C2(C)C4"]
["195058304","CCC[C@@H]1CC[C@@H]2[C@H]3CCCC[C@](O)([C@](C)(O)[C@@H]4CC[C@]5(O)C6=CC(=O)[C@@H]7C[C@@H](O)[C@@H](O)C[C@@]78C[C@@H](C7CCC([NH3+])NC7)C=C[C@@H](C[C@]45C)[C@@H]68)[C@@H]3O[C@@H]2CC1"]
["195689240","CC(N=C(O)[C@@H](OC(=O)C1(/C=C/c2ccc3ccc([C@@H](C)N=C(O)OC(C)(C)C)nc3c2)COCCO1)C(C)C)C(=O)N1CCCC(C(=O)OCC(Cl)Cl)N1"]
["195095615","CCCCCC(O)CC(=O)CCc1ccc2c(c1)OC1C(C#CC(O)c3ccc(C(N)NCCc4ccccc4)cc3CC3=CN=C4CN1C=C34)C1(C#CO2)CCCC1"]
["195109994","CCCC1CCC2OC3C(C(O)CCCC3(O)C(C)(O)C3CCC4(O)C5=C(NCC(C)O)C(=O)C6CC(O)C(O)CC67CC(C6=C(CCCO)NC(N)C=C6)C=CC(CC34CCO)C57)C2CC1"]
["187987327","Cn1c(=O)n(C2CCC(O)=NC2=O)c2cccc(CCCOC3CCN(C[C@H]4CC[C@H](n5cc(N=C(O)c6cnn7ccc(N8CCOC(C)(C)C8)nc67)c(C(F)F)n5)CC4)CC3)c21"]
["65116792","ONSc1snc2c3c(c4c(c12)CC4)CC3"]
["168634420","COc1cccc(O)c1-c1ccc2c(n1)[nH]c1ccccc12"]
["83522778","CCn1c(SC)nc2sc3c(c2c1=O)CCC(C)C3"]
["57422553","CC(C)CCn1c(SCC(=O)N2CCCC2)nc2sc3c(c2c1=O)CCC(C)C3"]
["16541532","C[C@@H]1CCc2c(sc3ncn4nnnc4c23)C1"]
["196752282","CSCC1Cc2nsnc2C(C)(C)[C@@H]2Cc3nsnc3C[C@H]12"]
["103401458","C[C@H](Sc1nc(O)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3)C(=O)O"]
["24654166","CSc1nnc2c3c4c(sc3nc(C(C)C)n12)CC(C)CC4"]
["111331638","COC(=O)[C@@H](N)c1nc2c([nH]1)CCCC2"]
["31517873","Cc1nc2c(s1)-c1c(SC(C)C)sc(C(N)=O)c1CC2"]
["101910682","Cc1noc(-c2c(NS(=O)(=O)c3cccs3)sc3c2CCOC3)n1"]
["89836367","Cc1nc(SC(C)(C)C(=O)O)c2c3c(sc2n1)CC(C)CC3"]
["175590091","O=[N+]([O-])N1P([N+](=O)[O-])N=P([N+](=O)[O-])([N+](=O)[O-])N([N+](=O)[O-])P1[N+](=O)[O-]"]
["162973726","C=C(Cl)Cn1cc([N+](=O)[O-])cn1"]
["65487077","O=[N+]([O-])c1cnn(Cc2ccccc2)c1CBr"]
["74976877","O=[N+]([O-])C1NN=CN1[N+](=O)[O-]"]
["158455325","C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1"]
["74003909","O=[N+]([O-])N1C=[C]CS1"]
["80560020","Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(c3ccc(F)cc3)C(=O)N=C2[O-])c1C"]
["42804126","N#Cc1nn([N+](=O)[O-])c2ccccc12"]
["24179630","CC(C)(C)n1cc([N+](=O)[O-])cn1"]
["108487094","O=C1[C@@H](n2cc([N+](=O)[O-])cn2)CCN1C1CC1"]
["74979624","O=[N+]([O-])C1=[C]NON1[N+](=O)[O-]"]
["183474280","O=[N+]([O-])n1cc(F)cn1"]
["179128472","CPc1cc(N2CC2)c2c(N3CC3)c(PC)c(N3CC3)c(N3CC3)c2c1N1CC1"]
["170424117","Cc1cc(N2CCN(c3ncnc4c3cnn4C)CC2)ncn1"]
["124909381","CCN1CCN(c2ccccc2N=C(O)c2ccnc(Br)c2)CC1"]
["24581850","CCN1CCN(c2ncnc3sc(C)cc23)CC1"]
["176090665","CC.Cc1ccc(S(=O)n2c(C)c(C)c3c(N4CCOCC4)ccnc32)cc1"]
["121099350","Cc1nn(C)c(N2CCOCC2)c1CN1CCN(c2cccc(F)c2C#N)CC1"]
["21975728","CCN1CCN(c2ccc(C(O)=[NH+]c3c(F)cccc3F)cc2F)CC1"]
["171748671","COc1ncc(Br)cc1N1CCN(C(C)(C)C)CC1"]
["114297748","C[C@H](N)c1cc(F)ccc1N1CCCC(C)(O)CC1"]
["194825080","OC(CCCCN1CCN(c2ccccc2C(F)(F)F)CC1)=Nc1cnc2ccccc2c1"]
["166550587","CCOc1c(C(C)Cl)cc(Cl)c(C)c1N1CCOCC1"]
["56877898","N=C(O)c1cnc(N2CCCN(c3ncc(C(=N)O)cc3Cl)CC2)c(Cl)c1"]
["74221756","C1=C[O+]=c2[n-][cH+][nH]c2=1"]
["73624566","C1=Cc2[nH][cH+][n-]c2[N+]=C1"]
["25518695","Oc1[nH]c(O)c2c1C1C=CC2C2C=CC12"]
["73650088","[O]N([O-])c1ccc(C2=C=C[O+]=C2)cc1"]
["73563657","C1=CC=c2[n-][cH+][nH][n+]2=1"]
["199250270","CC.CC1=C=CC(CC(=O)N(C)C)[C-]=C1.[Y]"]
["175730824","CC.CC1=C=CN(C)[N-]1.[Zr]"]
["79161727","FC1=C=C[N-]C=[C+]1"]
["177393223","CC1=C=C[N-]C=C1Br.[Br-].[Zn+2]"]
["73634868","O=C1C=C[CH+]C2=C1NC(=C=C1C=Cc3cccc(O)c3[N-]1)C=C2"]
["174934861","C1=CN2[N-]C=C=C2C=[N+]=1.[Al].[Al]"]
["79218314","CC(=O)C1=C=C[CH]N1.CC(=O)C1=C=C[CH]N1.[Cu]"]
["33024192","[B+]C1[B+]C1([B+])C=C1[CH-][CH-][C-](c2c3[nH][c-](c(C4=C[CH-][C-](CC5([B+])[B+]C5[B+])C=C4)c4ccc([n-]4)c(C4=CC[C-](CC5([B+])[B+]C5[B+])C=C4)c4ccc([nH]4)c(-c4ccc(CC5([B+])[B+]C5[B+])cc4)c4[n-][c-]2C=C4)C=C3)[CH-][CH-]1.[K+].[Zn+2]"]
["27529854","COCC1(C(O)=Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3nccs3)CC2)C1"]
["31799197","CC(C)(C)OC(O)=N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(=O)O)N=C(O)[C@@H]2C[C@@H](c3nnn(Cc4ccccc4)n3)CN2C1=O"]
["147802352","Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(Cn5c(=O)c6cc7c(=O)n(N8C(=O)c9ccc%10c%11c(ccc(c9%11)C8=O)C(=O)N(C8CC(C)(C)N([O])C(C)(C)C8)C%10=O)c(=O)c7cc6c5=O)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1"]
["34068391","O=Cc1cc2[nH]c1c(-c1c(F)c(F)c(F)c(F)c1F)c1ccc([nH]1)c(-c1c(F)c(F)c(F)c(F)c1F)c1nc(c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc2[n-]3)CC1.[Mn+3].c1ccncc1"]
["174934146","C=C(N=C(NC1CC1)C1=C=CC=C(c2ccc(C(=O)[N-]C3CC3)cc2)[N-]1)NCc1ccc(S(N)(=O)=O)cc1.[Li+]"]
["31487648","COC[C@@]1(C(O)=Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3nccs3)CC2)C1"]
["96543304","C=CCc1ccc(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5c(C)cc(C)cc5C)c5ccc2[nH]5)C=C4)C=C3)cc1"]
["97319190","O=[N+](O)c1ccc(O)cc1CN(CCN1CCC(O)=Nc2ccccc2-c2c3nc(c4c5ccc([nH]5)c(c5nc(c(c6ccc2[n-]6)-c2ccccc2N=C(O)CC1)C=C5)-c1ccccc1N=C(O)CCN(Cc1cccc[nH+]1)CCC(O)=Nc1ccccc1-4)C=C3)Cc1ccccn1"]
["MCULE-5317303767","COCc1ccc(-c2c(F)cccc2N=C(O)C2CCC(=O)CC2)cc1"]
["68556139","[B+]C1[B+]C1([B+])C=c1[cH-][cH-]c(=C2c3ccc([nH]3)C(c3c[cH-][c-](CC4([B+])[B+]C4[B+])[cH-][cH-]3)=c3ccc([nH]3)=C(C3=CC[C-](CC4([B+])[B+]C4[B+])C=C3)c3ccc([n-]3)C(c3ccc(CC4([B+])[B+]C4[B+])cc3)=C3C=C[C-]2[N-]3)[cH-][cH-]1.[K+].[Zn+2]"]
["174435584","NCCC[C@H](N)CN=C(O)CN=C(O)[C@]12CC1c1cc(ccc1O)-c1ccc(O)c(c1)C[C@H](N)C(O)=N[C@@H](CCCN)C(O)=N2"]
["184446709","CC(=O)c1ccc(C2C[NH+]=C=C3NC(c4n[nH]c5c4=CC(C4C=C([N-]C=O)C=[NH+]C4)CN=5)N=C32)s1"]
["151795295","O=C(O)[C@H](C1=c2ccc(Br)cc2=NC1)N1CCN(C[C@@H]2CC=CS2)CC1"]
["158814305","CC(=O)c1ccc(C(=O)N2CCOC3(CCOCC3)C2)s1"]
["82491134","CC(=O)N(CCCCNCCCCN1C(=O)N=C2C=CC=CC2C1=O)CCCN1C(=O)N=C2C=CC=CC2C1=O"]
["MCULE-9743626795","COc1nc(C)nc(N(C)C(=O)c2cccc(-c3ccc(C(C)=O)s3)c2C)n1"]
["MCULE-8414945205","CC(=O)c1ccc(-c2ccc(=NC(=O)c3cnccc3C(F)(F)F)[nH]n2)s1"]
["179820047","CCC1=CC=C(C(F)(F)F)CC1c1ccc(C(=O)Nc2c(F)cccc2F)s1"]
["74126369","C=C(/C=C(\\C=C/N)CO)Nc1cccc(-c2ccc(C(C)=O)s2)n1"]
["MCULE-6363828570","COc1ccccc1CC(=O)N1CCc2cc(-c3ccc(C(C)=O)s3)ccc21"]
["170157002","O=CC(=O)C1c2c(ccc(N3CC4CCC(C3)N4)c2F)CN1C1CCC(O)=NC1=O"]
["20877349","Cn1cc(CN2CCC[C@@H]2c2ccc(C(=O)[NH2+]CCc3c[nH+]c[nH]3)s2)cn1"]
["124265214","CC(O)CCNC(=O)C(O)=Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1"]
["192906511","CC1(C)C#CC(C)(C)C[S+](Cc2ccc(C#CC#N)cc2)C1.CC1(C)C#CC(C)(C)C[S+](Cc2cn(-c3ccc(C#CC#N)cc3)nn2)C1.N#CC#Cc1ccc(N=[N+]=N)cc1"]
["MCULE-8072721235","Cc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc3c(c2)OCCO3)cc1"]
["166501202","Cc1cccc(F)c1-n1cc(CN=C(O)C(F)(F)F)nn1"]
["200022942","C=C(N1CC(F)C1)C1(c2ccc(CCCN3CCC4(CC3)C(=C)Nc3ccc(C#N)cc34)cc2)CCC1"]
["76487229","OC1=NC(=NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1Cc1cccc(C(F)(F)F)c1"]
["139243228","Cl.Cl.Nc1ccc(CC(O)=Nc2ccc(-n3cccn3)c(F)c2)cc1"]
["11370988","Cc1nn(C)cc1[C@H](C)N=C(O)CN(C)c1ccc(C#N)cn1"]
["MCULE-8725224888","CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)CC1"]
["MCULE-1946155109","CSc1ncc(-c2cnc(C(O)=Nc3ccc(CC#N)cc3)nc2)cn1"]
["100715869","CC(=O)Oc1cccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1"]
["142089534","OC(=NCCN=C(O)C1CC1)c1cn(-c2ccc(F)cc2)nn1"]
["197491892","[N-]=[N+]=NCCc1cn(-c2ccccc2)nn1"]
["178276548","CC1CC(NC2NCNC3CCC(C4CCC(CNCCS(C)(=O)=O)O4)CC32)CCC1OC1CCN2NCNC2C1"]
["112960608","Cc1oc(C)c(S(=O)(=O)NC2CCC(C)C(C)C2)c1CN"]
["151757095","CCCS(=O)(=O)N1CC[C@@H]2O[C@H](C)C[C@H]2C1"]
["137661956","Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCCOC(C)C)CC1"]
["94473229","CCCNCC1CCN(S(=O)(=O)NC2CC(C)C2)CC1"]
["46219847","COC(=O)CCC(=O)O[C@H]1CCC2(C)C(CCC3C2C(=O)[C@@H](O)C2(C)C3CC3OC4(CCC(C)CO4)[C@@H](C)C32)C1"]
["157778615","C[C@H]1CN(S(C)(=O)=O)C[C@H](CBr)O1"]
["151725827","CS(=O)(=O)NC[C@]12COC[C@@H]1CN(C(=O)COC1CCCC1)C2"]
["131927668","CC1CN(S(=O)(=O)NCCOC2CCCCCC2)CC(C)O1"]
["195031347","CNC(=N)N1C=C[C@H](CNCCO)[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(CO[C@@H]2CC[C@H](CCCO)[C@H]4NCCC[C@H]42)C(C(=O)O)=C3C1"]
["85525592","CN(CCS(C)(=O)=O)C(=O)C1CCC(CN)O1"]
["112749796","CCNCC1CCN(S(=O)(=O)NC2CC(OC)C2)CC1"]
["181802757","[N-]=[N+]=NN(c1c(Cl)c(Nc2ccc(Br)c(Br)c2)c(Cl)c(Nc2ccc(I)c(I)c2)c1Cl)N(Nc1ccc(Cl)c(Cl)c1)c1c(Nc2ccc(F)c(F)c2)c(F)c(F)c(F)c1Nc1ccc(I)cc1I"]
["180418198","CON(Cc1cc(C(O)=NOCCO)c(Nc2ccc(I)cc2F)c(C)c1F)C(C)=O"]
["114505806","O=C(Nc1ccc(Br)c(Cl)c1)c1cc(Br)cn1C1CC1"]
["68064882","COc1c(F)cc(NC(O)=NCc2ccc(Cl)cc2Cl)cc1F"]
["74800657","Cc1cc(I)ccc1Nc1c(C(O)=NOCC2CC2)cc(S(=O)(=O)NC(CCO)c2ccncc2)c(F)c1F"]
["102947941","COc1ccc(NC(=O)c2cccc(N=NC(C(C)=O)C(=O)Nc3ccc(NC(=O)C(N=Nc4cccc(C(=O)Nc5ccc(OC)cc5CCCl)c4Cl)C(C)=O)c(CCl)c3)c2Cl)c(CCCl)c1"]
["MCULE-7096020724","CC(C)CN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2ccccc2Br)C1=O"]
["MCULE-1612783551","CC(O)=Nc1cccc(N2C(=O)C(Nc3ccc(F)c(Cl)c3)=C(c3cccs3)C2=O)c1"]
["149401112","COc1ccccc1N1C(=O)C(Nc2ccc(F)c(F)c2F)=C(Sc2nc(C)cc(C)n2)C1=O"]
["67470654","Nc1ccccc1Nc1ccc(Br)c(F)c1"]
["MCULE-6028155974","CC(C)Oc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(Cc3ccccc3)C2=O)cc1"]
["MCULE-3374503110","Cc1cc([N+](=O)[O-])ccc1N1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2ccccc2F)C1=O"]
["79423960","CC(C)(C)OOC(C)(C)CCC(C)(CC(CC(C)(C)OOC(C)(C)C)C(C)(C)OOC(C)(C)C)OOC(C)(C)C"]
["76464586","CCC(C)=C([O-])OC(C)(CC(C)C)CC(C)C.[Y+3]"]
["172862967","CCC(O)CC(C)(C)OOOCC(CC)CC"]
["185550110","CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(=O)OOC(C)(C)CCC(C)(C)OOC(C)(C)C"]
["186664702","CCC(C)(CC(C)C)OCCOC(C)(C)CC(C)(C)N"]
["25763336","CC(C)(CCC(C)(C)OOCc1ccccc1)OOCc1ccccc1"]
["175356927","COC(=O)CN(C(=O)OC(C)(C)C)C(=O)[C@@H](N)CC(C)C"]
["185164496","CCC(CCSC)(OOC(C)(C)C)OOC(C)(C)C"]
["78256456","CCCCC(C)(N)CC(C)C.Cl"]
["145485020","CCC(CC(C)(C)C)OC(CC)OC(C)(C)C"]
["25932845","CC(CC(C)(C)OO)C(C)OO"]
["95266755","CC(C)(C)C(CS)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1"]
["97549476","CC[Ge](CC)(CC)c1ccccc1[Ge]1(CC)c2ccccc2[Ge](CC)(CC)[Ge]1(CC)CC"]
["4359993","CCN(CC)CCOCC[NH+]=C(O)c1ccccc1OC"]
["34452027","CCCCSC[C@H](COc1ccccc1)OC(C)=O"]
["51953886","CC[n+]1ccc(-c2ccccc2)cc1.[Br-]"]
["59081755","CCOC(COCc1ccccc1Cl)C(=O)O"]
["66315423","CCCNCC(O)COC(Cc1ccccc1)Cc1ccccc1"]
["85496522","CCN(CC)C(CC(=O)O)c1ccccc1C1CC1"]
["32514740","CC/C(=C\\C(=O)c1ccc(C)cc1)c1ccccc1"]
["116459494","CCc1nsc(N2CCN(C(=NC)NCc3ccccc3)CC2)n1.I"]
["105534908","OC(CCC[C@@H](O)c1ccccc1)=NCc1ccncc1"]
["12878876","CCCCN=C(O)N[C@@H](C)COc1ccc(C)cc1"]
["56210238","CCCC(OCc1ccco1)OCc1ccco1"]
["176252839","CC1=c2[n-]c(=C3[N-]O[N-][C+]3N)nc2C(Br)=C=N1.[Y].[Y]"]
["61435429","Cc1ccc(-c2n[nH]cc2CNC(C)(C)CC(C)(C)C)o1"]
["88597589","Cc1nn(C)cc1-c1nc(C2CC2)n(N)c1N"]
["113161340","COc1ccc(CC(N)Cc2c(F)ccc(Br)c2F)cn1"]
["70239804","CC1=C=NC2=C1N[C-](C)C(C)=C2C.[Y]"]
["108644923","Cc1coc(-c2ccc3nc(Br)cn3n2)n1"]
["198914823","COc1cc(Br)c(OC)c(-c2nnc(-c3ccc(C)o3)o2)c1"]
["94224398","Cc1cc(Br)cc2[nH]c(-c3ccc(Br)o3)nc12"]
["101201448","FC(F)(F)c1oc(-c2ccc(Br)cc2)nc1-c1ccccc1"]
["197484718","CCOC(=O)c1nc(Br)n(C)c1-c1ccnn1C"]
["196448342","Cc1c(-c2ccccc2)nc2oc(-c3ccccc3)cc2c1N"]
["105035531","Cc1noc([C@]2(N)CCC[C@H](C)C2)n1"]
["173864968","[Si-]=[O+][Si+][O+]=[Si-]C(CCCC(C[Si-]=[O+][Si-][O+]=[Si-])C1=CC=CC1)C1=CC=CC1"]
["180694816","CCCC(CC)CC(CC1CCC(CC(CC)C2CCCC2)CC1)C1=CC=CC1"]
["176217074","C=C.CCC(C)CCC(C)C(C)CCC(C)C1=CC=CCC1"]
["175000714","C=C1CC=CC=C1c1c(C(=C)N)n(CCCF)c2ccc(C)cc12"]
["178203954","CCC(CC(C)C)C1=CC=CNC1"]
["79855230","CCC[SiH2]CC(C1=CC=CC1)c1ccc[cH-]1.[Na+]"]
["150188223","[B]C(CO)C1=CC=CC=CC1"]
["79571474","CC(=C\\C(C)C)/C(C)=C/C(C)C.C[Si](C)(C)P(=NC1=CC=CC1)([Si](C)(C)C)[Si](C)(C)C.[Ti]"]
["179104772","COc1ccc(NC(C(=O)O)C2=CC=CC2)cc1"]
["173391653","CC(=O)CC(C1=CC=CC=CC1)C12C=CCC=CC1C2"]
["82935180","CC(C)C(=O)C(C1=CC=CCC1)C(C)(C)C"]
["195929204","CC(N=CC=NCCN)C1=CC=CC1"]
["195480171","C1=Cc2c(c3ccccc3c3c2=CC=C=IC=3)C=CI=1"]
["100855039","C1=CC(CC2C=Cc3c2c2ccccc2c2ccccc32)[C-]2C=1c1ccccc1-c1ccccc12"]
["178809652","C1=CC=C(CC2CC2c2ccccc2)C=CI=1"]
["195536613","N#[N+]c1c(Br)c(C(Br)Br)nc2ccccc12"]
["179684793","Brc1ccc(C#Cc2ccc(I)cc2)c2ccccc12"]
["174790891","CC12CCCC=C1C=Cc1c2cc(Cl)c2ccccc12"]
["78382194","c1cccc(C2C=Cc3c(c4ccccc4c4ccccc34)C2)c#1"]
["MCULE-3066020763","OC(=Nc1cc2ccccc2c(Br)n1)[C@@H]1CC=CCC1"]
["6124801","C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)C1CC1"]
["176721428","COc1ccc(-c2c3c(c(-c4ccc(OC)cc4)c4ccccc24)C2=CC=C4CC5=C2C3=CC=CC5c2c4c(-c3ccc(OC)cc3)c3ccccc3c2-c2ccc(OC)cc2)cc1"]
["178090096","Cn1c(-c2ccccc2)c(N=NC2=CC=C=C[CH]2)c2ccccc21.[CH3].[Sn]"]
["187093956","Cn1c(-c2ccc(I)cc2)c(N=O)c2ccccc21"]
["99360317","FC1=C=C(F)C(n2cccc2)C=C1.FC1=C=C(F)C(n2cccc2)C=C1C1[C-]=CC=[C-]1.[Ti+2]"]
["74603386","COC1=NC(n2cccc2)C(=C=O)C=C1"]
["156751209","C[C@@H]1C[C@@H](n2cccc2)CCN1C"]
["99635273","FC1=C=CC(CCn2cccc2)C(F)=[C-]1.[Ti]"]
["174383173","CC(C)(CCl)CN(CC1CCCCC1)C1[C-]=CC(F)=C=C1F.[Ti]"]
["155906997","Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21"]
["122858772","COc1cccc(CN2CCCC(C3OCCO3)C2)n1"]
["147729626","C[C@H]1CCC[C@H]1n1cccc1"]
["28251316","COc1cc(N2C(=O)C3=C(CCCC3)C2n2cccc2)c(Cl)cc1F"]
["90861096","FC1=CC2=NC(S)=NC2=CC1n1cccc1"]
["182289634","C[Si]1(C)CC[Si](C)(C)N1C1[C-]=CC(F)=C=C1F.[Ti]"]
["58164125","Fc1cc2c(cc1Cl)nc(CCl)n2CCn1cccn1"]
["114239200","NC(=O)c1nn(-c2cncc3nnnn23)cc1N"]
["57630644","C=CCNC(C(=O)O)c1cnn(-c2ccccc2)c1"]
["106142066","CCC[C@H](C(=O)O)n1nnnc1-c1ccc(Br)cc1"]
["175558143","Nc1ccc(Br)nc1C(=O)ON=O"]
["169392054","CC(C)CC(C(=O)O)N(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cncc2nncn12"]
["MCULE-9899385557","COc1ccncc1-n1cc(C(=O)O)c(C2CNC2)n1"]
["172081453","NC(=O)c1nn(-c2ccccc2)cc1CCCc1cnc[nH]1"]
["190528150","C.CC1(C)CCc2c(C(=O)O)nn(-c3cc(I)ccn3)c2C1.CC1(C)CCc2c(C(N)=O)nn(-c3cc(I)ccn3)c2C1"]
["57437344","Cn1nnnc1SCC(N)C#N"]
["94092718","CCc1ccccc1-n1cc(C)c(C(=O)O)n1"]
["156659855","Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1"]
["109156474","Cc1nonc1[C@@H]1CCCN1C(=O)c1cn(C2CCC(N)CC2)nn1"]
["70605221","Brc1ccc(C[NH+]2CC[NH+](CC3CC4C=CC3C4)CC2)cc1"]
["115810736","N#CCC(O)=NCC1CCN(C(=O)CCc2ccc(Br)cc2)CC1"]
["12802027","CC(C)(O)C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1"]
["20253519","[NH3+]Cc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1"]
["64389048","O=C(COC(=O)c1ccc(CO)cc1)Nc1ccc(Br)cc1"]
["80237137","CC(=O)C1=C(C)OC2(C=C1)CC2c1ccc(Br)cc1"]
["12594548","Cc1cc(Br)c(=O)n(Cc2ccc(Br)cc2)c1"]
["94338599","CCC(CC)CC(NN)c1ccc(Br)cc1"]
["108825632","O=C1C=CC(=NNc2cccc(Br)c2)C=C1/C=N\\N=C(O)Cc1ccc(Br)cc1"]
["50381682","O=[N+]([O-])c1ccc(/C=N\\[NH+]=C(O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1"]
["1741095","O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1F"]
["121337716","OC(=NCc1cc(Br)ccc1OC(F)F)N1CC2CCC1C2"]
["50183017","COC1=NC(=[Se])N=C([O-])C1=c1sc2c(O)c3[s+]c(=C4C(OC)=N[C+]([Se-])[N-][C+]4[O-])[s+]c3c(O)c2s1"]
["94697089","C=C(Br)CNCc1sc(N(C)C)nc1OC"]
["153517965","COc1cc(OC)cc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c1"]
["187598929","COSP(F)CCN=C(O)CCCCC1SCC2N=C(O)NC21"]
["21019946","CCC(=O)N1N/C(=C2\\C(=O)N(C)C(=O)N=C2O)C[C@@H]1c1cc(OC)c(OC)c(OC)c1"]
["81569728","COc1nc2nc(SC(C)c3ccc(F)cn3)nc(NC(CO)CC(C)C)c2s1"]
["1526872","CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCCCC3)c(O)n2n1"]
["24226863","COc1ccc(C2C3=C(O)c4ccccc4C3=Nc3nc(O)nc(O)c32)cc1"]
["184537446","C=C1N(C)N=Nc2c(-c3nc(C(=N)O)cs3)ncn21"]
["153517881","COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c1"]
["83377853","COc1ccc([NH+]=C(O)C2CC(O)=NC(Nc3nc4ccccc4s3)=N2)cc1OC"]
["34293941","CCOC(=O)/C=c1/nc(O)/c(=C/C(=O)OC)s1"]
["99083632","C1NCC2(NNC34CNCC3NNN4)NN=NC12"]
["158398936","C#C[C@H](C)N[C@@H]1CNC[C@@H](C)C1"]
["172365349","Clc1cc(C23CNCC2NC3)cnc1Cl"]
["99915884","CC1CNCN2CNCCCNCC(C)(CNC1)CNCC(C)CNC2"]
["MCULE-5687928170","C[C@@]12CN=C(O)[C@@H]1CNC2"]
["198233382","Cl.OC[C@@H]1CNCC2(CC2)O1"]
["185837897","C1CCCC(C23CCCCC2N=NN3)CCC1"]
["151762487","c1ccc(OC[C@]23CCC[C@H]2CNC3)nc1"]
["50453588","c1cnc(C23CNCC2C3)nc1"]
["198233387","OC[C@@H]1CNCC2(CCC2)O1"]
["MCULE-7930965545","N=C(O)C12CNCC(CC(F)(F)C1)C2(F)F"]
["185685106","Cn1cc(C2(N)N=CC=C(NC3CNCC34CCCC4)N2)cn1"]
["74503210","[CH2+]C(OC#[O+])C1=CCC(=[N+]=[N-])C(N([O-])[O-])=C1"]
["182104834","[N-]=[N+]=NC#CNC1=CCC1"]
["185060017","CCOC(C1=CCC(=C=O)C=C1)P(=O)(OCC)OCC"]
["181594618","COC1(C(=N)O)C=CC(c2ccccc2N=[N+]=[N-])=CC1"]
["25545646","[N-]=[N+]=C1CC=C(N2CCCC2)C(Cl)=C1Cl"]
["184431292","COC1=CC(C(C)C)=CC[C@@H]1C"]
["178080927","C#CCOc1ccccc1OCC(O)CNC1CCC(N2CCN=C2O)CC1"]
["25844533","[O+]#COC(OC[O-])c1ccccc1"]
["182220322","N#Cc1ccc(C2CC2)cc1C(O)N=[N+]=[N-]"]
["172038576","[O+]#COc1ccc(N([O-])[O-])cc1.[O+]#COc1ccc(N([O-])[O-])cc1.[W+2]"]
["181376848","CN(C)C(CCN=[N+]=[N-])OC1=CCCCC(=NO)C1"]
["68406408","CC1=CCC(=[N+]=[N-])C(=NCCO)C1"]
["51479528","O=C1C(=O)C2C=CC1C1=C2[C+]2N=C1[NH+]=C1N=C([N-]C3=NC(=NC4=C5C(=C6C=CC5C([O-])C6=O)C(=[NH+]4)N2)C2=C3C3CC2C(=O)C3=O)C2=C1C1CC2C(=O)C1=O.[Mg+2]"]
["77221011","COc1ccc(C2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2C3=C2C=CC(=O)C(O)=C2)cc1OC"]
["69750430","O=C1C=C(C(F)(F)F)C2=C3C4=C(CCC4)N(CC(O)C(F)(F)F)C3C=CC2=N1"]
["81296273","O=C1C(C(=O)n2ccnc2)=CN=C2C=C(N=C(O)C3CCC4ON43)C=CC12"]
["83595860","O=C1C=CC(=CC2=C3N=C4C=CC=CC4C(C(=O)[O-])=C3CC2)C=C1"]
["83572265","CC1=CC2=C(N=C(O)C3CC3)N=NC2NC1=C1C=CC(=O)C=C1"]
["82388565","O=C1C=CC(=C2N=CC(F)C(C3CCCC3C(O)=NCC(F)(F)F)=N2)C=C1"]
["175251658","CC(C)(C)c1ccc(C=O)cc1.CN=c1nc2c(c[nH]1)CC(c1ccc(NC)cc1)c1ccccc1-2"]
["77221018","COc1ccc(C2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2C3=C2C=C([N+](=O)[O-])C=CC2=O)cc1OC"]
["80238639","Cl.O=C1N=C2C=C3C=C(OCCCN=C(O)N4CCN(CCC5CCCCC5)CC4)C=CC3N=C2N1"]
["177506327","O=C1C(=O)[C@@H]2C=CC1C1=C2c2cc3ccc(cc4[nH]c(cc5nc(cc1n2)C1=C5[C@H]2C=CC1C(=O)C2=O)c1c4C2CCC1C(=O)C2=O)[nH]3"]
["83079724","CCCN1CC2CCC1CN(C(=O)C1=CC(=O)N=C3C=C(F)C=CC13)C2"]
["193652209","CC(C)C1(C(C)C)B=NC(C(C)C)(C(C)C)C1(C(C)C)C(C)C.CCCC1(CCC)B=NC(CCC)(CCC)C1(CCC)CCC"]
["94635021","CCCCC(C)N=c1cc(Br)nc(CCC)[nH]1"]
["113595445","CCCC1(C(C)C)C(O)=Nc2ccc(C)cc21"]
["172734412","CCOC(=O)C(N)C(C)C.Cl.O"]
["120471760","CCCc1ccc(C(Cl)c2ccncc2)cc1"]
["92342691","CCCn1ccnc1C(=O)C(C)C(C)N"]
["91857340","CCCn1ncc(Br)c1C(NCC)c1ccc(C)cc1"]
["149693754","CCCC1(C)C(C)CCC1C(C)C(C)CC"]
["94363233","CCCn1ncc(Br)c1C(N)C1CCCO1"]
["61694107","CCC1(C)C(N)CC1Oc1cc(C(C)C)c(Cl)cc1C"]
["100514474","CCCCCCCO[Si](C)(C)Oc1ccccc1C(C)C"]
["156978447","CCN[C@H](C)c1cncc(C)c1"]
["103015906","CC(C)(C)C1=CC(C(C)(C)C)=C2C=c3c(C(C)(C)C)cc(C(C)(C)C)c4cc5c6c(c34)C2C1=CC=6C(C(C)(C)C)=C[C+]5C(C)(C)C"]
["101302248","CC(C)(C)C1=CC(c2ccccc2)=C[C+](C(C)(C)C)C1=N"]
["86425848","Cc1nc(NN)c(C)c(Nc2ccccc2C(C)(C)C)n1"]
["163518857","CCc1cc(C(C)(C)C)c(O)nn1"]
["96547533","CN=C1C=CC(C(C)(C)C)=C[C+]1C(C)(C)C"]
["196542276","CC(C)(C)c1ccc2c3c1OC1=CC=C=C(c4ncc5ccccc5c4C2(C)C)C13.[CH2-]C(=O)/C=C(/C)O.[Ir]"]
["175058657","CC(NS(=O)C(C)(C)C)c1cncc2ccccc12"]
["167099638","CC(C)(C)[Si](C)(C)OCc1cc2cc(Cl)nc(Cl)c2cn1"]
["172069638","CC(C)CC1c2ccc3sc4ncnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4c3c2SC1C"]
["172109800","CC(C)(C)c1cc(O)cc(F)c1C1CC1"]
["102904684","CC(C)(C)C1=[C+]C(C(C)(C)C)C=C(C(C)(C)C)C1=[Ge](C[Ge](=C1C(C(C)(C)C)=C[C-](C(C)(C)C)C=C1C(C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C"]
["180369285","CC(C)(C)C1=CC(C(C)(C)C)Cc2c1op(-c1ccsc1)oc1c(C(C)(C)C)cc(C(C)(C)C)cc21"]
["179994669","CNC1CCN(C2CC[C@H](NC3NCC4C5C=[C-]NC[C@H]5N(C5CC56CCC[I+]CC6)C4N3)N[N-]2)CC1"]
["157221118","C1CCN2CC[C@@H](NC3CCN(C4CC4)CC3)[C@H]2C1"]
["127319553","CNC1CCN(C(=O)C(C)Sc2ccccc2Cl)CC1"]
["138770110","CNC1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1.Cl"]
["187980522","CNC1CCN(C2CCC(C#N)(c3cccc(Cl)c3)CC2)C1"]
["135567258","CC1CCCC(CN=C(O)N2CCCC(c3cc[nH]n3)C2)(N(C)C)C1"]
["105331392","CNC1CCN([C@@H]2CC2(C)C)CC1"]
["168791476","COc1cc(N2CCC(c3nnc4n3-c3ccc(Cl)cc3CN(C3CC3(F)F)C4)CC2)ncc1F"]
["126351630","CN1CCCc2cc(NC(O)=NCC3CCCCC3O)ccc21"]
["87205917","CNC1CCCN(C2CCc3cc(Br)ccc32)C1"]
["54237241","CNC1CCCN(S(=O)(=O)c2cccc(F)c2C#N)C1"]
["131546985","CNC1CCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1"]
["97460266","Cc1c(C)[n+](C(C)C)c([I+][Br+][I+]C(F)(F)C(F)(F)[I+][Br+]I=c2n(C(C)C)c(C)c(C)n2C(C)C)n1C(C)C"]
["145852195","COCCN(CC(=O)O)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C"]
["131395952","Cc1noc(C(C)OC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)n1"]
["28824000","CCN(c1cc(C(F)(F)F)cc(C(=N)O)c1C)C1CCN(C(C)C)CC1"]
["124279904","Cc1cnc(COC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cn1"]
["129923222","Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)N1CCCC1c1cccs1"]
["64592536","CC1CN(C(C)c2cccc(C(F)(F)F)c2)CC(C)N1"]
["64557734","Cc1nn(C)c(C)c1C(C)Nc1ccc(C(F)(F)F)cc1"]
["1894866","CC(C)CCN=C(O)[C@H]1CN(C(O)=NC(C)(C)C)C[C@H]1c1cccc(C(F)(F)F)c1"]
["187103529","Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc(C(=O)O)cn2n1"]
["121650863","Cc1cc(C(O)=NC(CN)C2CC2)c(C)n1C(C)C.Cl"]
["130819030","Cc1nn(CC(F)(F)F)c(C)c1C(C)NCCC1CCOC1=O"]
["172514154","CC(C)[SiH]=[O+]C1=C(O[SiH-]C(C)C)C([O+]=[SiH]C(C)C)C=C=C1[Si-]"]
["150085894","COC1=CC(O)N(C(=O)CC(C)CCC(Cl)(Cl)Cl)C1CCC(Cl)(Cl)Cl"]
["87764889","CCOC(=O)N1CCN(C(C)C(=O)c2ccc3c(c2)CCN3)CC1"]
["95494468","COC(c1ncc(C(C)C)s1)C1CC1"]
["52759065","COc1cccc(OC)c1OC(=O)[C@@H](C)N1CCOCC1.[Cl-]"]
["53602150","CC(C)N(CC(O)COc1ccccc1C#N)CC1CC1"]
["175628363","CCCc1c(CC(C)CC)ncnc1Nc1ccc(F)cc1OC"]
["49073725","C[C@H](C(=O)[NH2+]c1ccc(F)cc1)N1CCCCCCC1"]
["148748419","CC(F)Oc1[c]ccc(OC(C)F)c1"]
["99443682","COc1c(CO)c(C(C)C)c(C(C)C)c([O+]=[Si-])c1C(C)C"]
["119966078","CCCC(C)COc1nc(C)cc(C)c1CO"]
["93938082","CCCNCc1cccc(OC)c1OCC(C)CO"]
["179248094","C[I+]CC(C)(S)C[C+]1[N-][N-]N(I)[N-]1"]
["181416703","CC1C(C)N(C)C(CC(C)(C)C)N1C"]
["42616631","[CH2+]C(C)=[Si-]CCC(C)(N1CCCCC1)N1CCCCC1"]
["84698888","CC1CN(CC(C)(O)CN)CC1C"]
["88733580","CCC1CCC(C)N1CCC(C)(C)C(=N)N"]
["174578407","CC1C[CH-]N(C(C)(C)C)[CH-]C1.[W+2]"]
["87476988","CC1CCN(S(=O)(=O)NC(C)(CBr)CBr)CC1"]
["169923055","CC(C)(C)NC[C@@]12C[C@@H](I)N(I)[C@@H]1C2"]
["95063518","CC1CCCCN1S(=O)(=O)NCC(C)(C)N"]
["81781130","CCC[C@@](C)(S)CO"]
["187985347","CC1CC(I)C(=O)N1[C@@H](CN)C(=O)C(C)(C)C"]
["180693644","C=C1C(C)C(CC)C(C)C1CC"]
["179453823","Nc1nc2n(c1N)c1nc(N=O)c(N=O)n1c1nc(N=O)c(N)n21"]
["175862998","Nc1nc(C(=O)O)nc2nc(C(=O)O)[nH]c12"]
["104069897","CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)n1C"]
["MCULE-3158059809","COc1ccc(C(n2nc(C3(C)CC3)c(CN)c2N)C(C)(C)C)cc1F"]
["73752848","CCn1c(N=C(O)C(F)(F)F)nc(N)c1N"]
["195452246","C=Nc1cc(N)c(CC)cn1"]
["49398314","Nc1nonc1C(O)=NCC(=O)O"]
["73871611","Nn1cnnc1.O=C(O)c1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1"]
["87865068","Cc1nc2cc(Cl)ccn2c1N=O"]
["69655338","O=C=C([N-]N=O)O[O-].[K+].[K+]"]
["81793136","Cn1cnnc1SC1CCNC(=C(N)N=O)C1"]
["175541055","Cc1nc(F)c(C)c(N)c1N=O"]
["175410251","CC1(N=C=O)CCC(C)(C)C(C)(N=C=O)C1.N=C=O.N=C=O"]
["54671487","CC1(N=C=O)CCC(N=C=O)C2CCC1(C)S2"]
["194509522","CC#C[C@]1(C)CCCN1C"]
["101673096","CC1(I)CCCCC1N=C=O"]
["85728656","CN(C1CCC(C)(C)CC1)C(CN)c1c(Cl)cccc1Cl"]
["144895730","CC(C)c1ccccc1C1(N=C=O)CCCC1"]
["75133494","CC1=CCC(N=C=O)(N=C=O)C=C1"]
["94336147","CC1(N=c2cc[nH]c(C(N)=O)c2)CC1"]
["162148212","CC(O)=NC1(C)CCC(C)(C)CC1"]
["157991441","CCN[C@]1(CN)CCC1(C)C"]
["159128564","C[C@]1(C(=O)O)CCCN1C#N"]
["33604606","Cc1ccc2c(c1)OCCC2(N=C=O)/N=N/c1ccc(Cl)cc1"]
["179305291","CC(C)(C1C=CC(OC2C=CC(N)CC2)=CC1)C1C=CC(OC2=CCC(N)C=C2)CC1"]
["173630125","COC(C)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)OC1=CCC(N)C=C1"]
["66152867","CC1(C)C=CC(N)CC1"]
["163281953","COCC(C)C1=CCC(N)CC1"]
["178560923","C=CC(NC)C1=CCC(OC(C)OCCC2CCCCC2)C=C1"]
["43260322","Cc1ccc(N)c(N2CCC(N=C(O)OC(C)(C)C)CC2)c1"]
["85261708","COC(C)(C)C(N)C1CCc2cccnc21"]
["178392874","C[C@H](N=C(O)OC(C)(C)C)[C@H](O)C1=CC2OCCOC2CC1"]
["65045829","COC1=CCC(c2ccc(C(=O)O)cc2)C=C1"]
["182442441","COS(=O)(=O)C(C)(C)c1cc2cc(C(=O)O)sc2cc1Cl"]
["179325044","COC1C=CC(C(C)(C)c2ccc(OC(C)=O)cc2)=CC1"]
["154243450","C[C@@H]1N=C[C@]23CC[C@@H]4[C@@H](CC=C5C[C@@H](N)CC[C@@]54C)[C@@H]2CC[C@H]13"]
["155224577","Clc1c[nH]c2nc(-c3nc(Br)ccc3Cl)nc-2n1"]
["155300793","Cc1nc2[nH]c(-c3cnc(Cl)nc3)nc2cc1Br"]
["45976678","CC(C)NCc1nc(Oc2ccc(F)cc2Br)ccc1Cl"]
["113090524","CC(C)=CCNc1cccc(Br)n1"]
["114512414","CC1(C)CCC(CN)(Nc2ccc(Br)c(Cl)c2)C1"]
["155265799","CC(O)=Nc1ccc(Cl)c(-c2nc3cc(C)cc(Br)c3[nH]2)c1"]
["150651916","Cc1ccc(Br)nc1N=C(O)[C@H]1NC[C@H]2C[C@H]21"]
["MCULE-6831048962","BrCCCCc1nc(Br)cs1"]
["195161277","N=c1cc(-c2ccccc2)nc(-c2ccccc2)[nH]1.Sc1ccccc1"]
["155180639","O=S(=O)(c1ccc(Cl)c(-c2nc3nc(Br)c[nH]c-3n2)c1)N1CCC1"]
["159267609","COc1cc(F)cc(Cl)c1Br"]
["62286856","O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1"]
["178608613","O=[N+]1C2CCC(F)CC2OC1C1CCC([C@@]2(C(O)O)CC23CCN(C(O)C2(O)CC2)CC3)CC1"]
["161294912","O=C(NC1(C(=O)O)COC1)c1cc(C2CC2)c(OCC23CCC4CCC(CC4C2)C3)cc1F"]
["194677612","CC1=C(C(O)N2CCc3ncc(C(F)(F)F)cc3C2)C2(CCN(C3CCC(O)CC3)CC2)OC1=O"]
["176405200","O=C(CC1CC[N+](=O)C1)N1CCC2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC21"]
["159190063","C[C@H](S)C(=O)N1CC[C@H](F)C1"]
["172543665","O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)C1(C(F)(F)F)CC2(CCC2)C1"]
["176290535","CCn1nccc1C(=O)N[C@H](C(=N)O)[C@H]1CCC[C@]2(C1)CC2(F)F"]
["174784231","CN1CCC[C@@]1(C(=O)O)C12CC3C[C@@H](CC([C@H](N)C(=O)N4C5CC5C[C@H]4C#N)(C3)C1)C2"]
["76482705","CCOC(=O)c1ccc(N2C(=O)C3=C(C(=O)C4CC(F)CCC4O3)C2c2ccc(OCC)c(OCC)c2)cc1"]
["170888752","CC(C)SOC1CCC(/C=C/c2ccc3ccc([C@@H](C)N=C(O)[C@@H]4CCCN(C(=O)[C@H](C)N=C(O)[C@@H](O)C5CC5)N4)nc3c2)(C(=O)O)C1"]
["25882275","Cc1cn([C@@H]2C[C@H](F)[C@@H](CO)O2)c(=O)nc1S"]
["60711961","C[C@@H](C1CCC(N(C)C(=O)c2cccc(F)c2)CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1"]
["74450528","CCC1(P(=O)(OC)C(C(C)C)C2NCSC2(C)C)NC(CC[PH](=O)OCC(C)C)C(C)(C)S1"]
["131181673","COCCCC(C)C(=O)N1CC(c2ccccc2Cl)OCC1(C)C"]
["111590327","CCC1CCCC(OC(CNCC(C)C)COC)C1"]
["134847335","CCC(OC1CCCC1)C(=O)OCC(C)OC"]
["9587503","CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1C"]
["64617786","CCC1(C)CN(CC(C)C)C(C(C)C)CN1"]
["75781376","CCCCC(N)CO[PH](=O)OC(C)C(=O)OC(=O)[C@@H]1CCCN1"]
["34635647","CO[C@@H]1[C@H](OC(O)=N[C@@H](C(O)=NCCC2CCCN2C)C(C)C)CC[C@]2(CO2)[C@H]1[C@]1(C)O[C@H]1CC=C(C)C"]
["16872429","COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OCC(C)C)cc1"]
["112571514","CCC1NCC(=O)N1CCCOCC(C)C"]
["74867114","C=C(NCCCCCCC(F)(F)C(=O)OCC)NC12CC3CCCC(C3)(C1)C2"]
["196586845","CCC1(CC)CC(=O)N(C(CC(C)OC)[C@H]2C[C@@H]2C(O)=N[C@H]2CC(C)(C)Oc3ccccc32)C(=N)N1"]
["195727749","CNCC1CCCC=C2S[C-](C=IC3CCCC[C@@H](CNC)C4=C(C3)SCC4)C=C21"]
["89415718","CNCC1CCCc2ccc(Br)cc21"]
["86538565","CNCC1CCCCCC1Cc1cc(F)cc(Br)c1"]
["82438093","C=C(CCCC)C1=CC=C(C(CCC(C)C2CCC(C(C)CCC)=C3C=CCCC32)CNC2CCC=C3CCCCC32)CC1"]
["42216764","CNCC1CCCCN1c1ncccc1C"]
["105975585","CNC[C@H]1C[C@H](O)c2cccc(Cl)c21"]
["89517927","CCc1nc(C2CCCC2)oc1CNC"]
["54709145","NS(=O)(=O)c1ccc(CNC2CCc3ccccc3C2)o1"]
["112964933","CNCC1CCCN(S(=O)(=O)NCC2CCCS2)C1"]
["179814378","CC(=NC1=C(C)C=CC2C(=O)C3CCCC=C3C(=O)C12)C(C)C"]
["61355357","CCN(CC)C(=O)Cn1c2c(c3ccccc31)C(CNC)CCS2.Cl"]
["89534275","CNCC1CC2(CC2)c2c(Br)cccc21"]
["101152617","CCc1c(C)c2n(c1C)[B-](C#CCOCCOCCO[Si](CC)(CC)CC)(C#CC[O+]CCOCCO[Si](CC)(CC)CC)n1c(C)c(CC)c(C)c1C2=C1C=CC(=[I+])C=C1"]
["177797556","CCc1nc(OCCO)c2cc(Br)cc(C)c2n1"]
["187119483","C=CC(O)=[NH+]CCOCCOCCN(CCC(=O)Oc1c(F)c(F)cc(F)c1F)C(=O)CCC1=NC(=Cc2c(C)cc(C)n2B(F)F)C=C1"]
["76325402","C=CCC1(O)OC(CO[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)C1O[Si](CC)(CC)CC"]
["101011646","Cc1cc(C)n2c1C(=C1C=CC(=[I+])C=C1)c1c(C)cc(C)n1[B-]2(OCCCCc1ccc2ccc3cccc4ccc1c2c34)OCCCCc1ccc2ccc3cccc4ccc1c2c34"]
["100896652","COc1ccc2c(c1)CCc1c(C)c3n(c1-2)[B-](F)(F)n1c(c(C)c2c1-c1ccc(OC)cc1CC2)C3=c1ccc(=C=C=C2c3ccccc3C(=[Br+])c3ccccc32)cc1"]
["170718804","C#CCOCCOCCOCCOCCOc1ccc2nc(N3CCCC4(C3)CN(c3nc(Cl)nc5c3cnn5[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C4)sc2c1"]
["14229901","CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1"]
["1011629","C#CCOCCOCCOCCN=c1nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCC(=O)O)nn3)CC2)[nH]c(N2CCN(C(=O)[C@H](CCCCN)n3cc(CC(C)O)nn3)CC2)n1"]
["199507276","CCC1=C(C)C2=C(c3cc(F)c(OC)c(OC)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C"]
["24747077","CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(OC)cc3OC)c(=O)n2C1c1ccc(SC)cc1"]
["122518635","C#CCOCCC(=O)Nc1cc(CC)nn1C"]
["192301472","C#CC#CCSC1N=C(O)C(SCC#CC)N=C(O)C2(CS/C=C\\N=C1O)CC(CC(=O)C(N)SC)C(O)=NC(SC#C)C(O)=NC(SC#CC)C(O)=N2"]
["190864774","C#COP(=O)(OCC)OCCCCCC(=O)C1(C(O)=Nc2nc(O)c3nc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)cnc3n2)CCC1"]
["153690491","CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1"]
["48648220","CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1Cl"]
["197435197","CC#CCC(N=C(O)C(N=C(O)OCC1c2ccccc2-c2ccccc21)C1CC1)C(=O)O"]
["169745968","CC(C)(C)CC(NC(=O)C(=O)NC12CC(F)(C1)C2)C(O)=NC(C[C@@H]1CCN=C1O)C(=O)COC(F)(F)F"]
["171611489","CC[C@@]1(C(=O)O)Cc2cccnc2N1C(=O)[C@@H](N)C1CCOCC1"]
["193781986","CCc1coc(-c2nc3oc2C24c5cc(F)ccc5N[C@H]2Oc2ccc(cc24)CC(CC(=O)[C@@H](O)C(C)C)C(O)=N[C@H]3C(C)(C)C)n1"]
["147920245","CSCCC(N=C(O)COc1ccccc1)C(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C"]
["169967740","C#CC(CC1CCN=C1O)N=C(O)C1CCc2ccc(NCC(=O)N(C)C)c(=O)n21"]
["32964471","CC(C)C[C@H](N)C(O)=N[C@H]1CC[C@H](Nc2cc(-n3c4c(c5c3CC(C)(C)CS5(=O)=O)COC4)cc(F)c2C(=N)O)CC1"]
["178085448","CC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)N=C(O)[C@@]23OC(=O)CC[C@H](O)C(=O)CC1"]
["163420386","C=C1C=C[CH-][n+]2c1[n-]cc(-c1nn[nH][nH+]1)c2=O.[HH].[K+]"]
["20429370","CCN(CC)[C@H](C(=O)[N-]c1cccc(-c2nn[nH][nH+]2)c1)c1ccccc1"]
["93683612","NCC1CCCC1Oc1ncc[nH]c1=O"]
["9466149","O=C([N-]CC1(N2CCCCC2)CCCCC1)c1cccc(-c2nn[nH][nH+]2)c1"]
["174260108","CC(C)(C)OC(=O)[N-]C(C)(C)C1=CNC(=C2C=Cc3n[nH]cc3C2=O)C=C1.[Th]"]
["181566634","Oc1ccccc1-c1nn[nH][nH+]1"]
["181176940","[N-]=[N+]=Nc1ccc(F)c(-c2nn[nH][nH+]2)c1"]
["113562600","COC(C)(C)CCOc1ncc[nH]c1=O"]
["44695531","COC1=CC(=O)C(=C2C=C(C(F)F)NCCN2)C=C1"]
["182371769","c1ccc(Cn2ccc3c(-c4nn[nH][nH+]4)cccc32)cc1"]
["182551924","CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](Cn2cccc(-c3nn[nH][nH+]3)c2=O)C1"]
["47074427","Ic1ccc(-c2nn[nH][nH+]2)cc1"]
["101017921","FC12C=CC3(F)C=CC4(F)C=CC5(F)C=CC6(F)C=CC(F)(C=C1)C1B2C3=C4C5=C16"]
["75695721","OCC1C=C(F)C(F)(CO)C(F)=C1F"]
["65143119","OC(/C=C/c1ccc(F)cc1Cl)=NN=C(O)OCC1CC=CCC1"]
["MCULE-8445166991","OCC1C(c2cc(C(F)(F)F)cnc2O)C1(F)F"]
["155068380","C[C@@]1(CO)[C@@H](c2ccccc2)C1(F)F"]
["MCULE-3252066085","COc1ccc(F)c(C2C(CO)C2(F)F)c1"]
["181131599","[N-]=[N+]=NC1C=CC=C[C@]1(F)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1"]
["96696270","O=c1nc(O)cc(F)n1CC1C(CO)C1(F)F"]
["99475292","COc1c(F)cc(F)cc1[B]C1=C(F)C(F)C(C)(F)C=C1F"]
["145432964","O=c1cc(CO)[nH]cc1OC(F)(F)F"]
["181065291","O=C(OC(=O)C1(F)C=CC=C(F)C1CCl)C1(F)C=CC=C(F)C1CCl"]
["MCULE-9671182366","Nc1c(F)cc(Cl)cc1C1C(CO)C1(F)F"]
["189872845","C1=c2cnccc2=C(c2n[n-]c3c2CCCC3)[N-]C1=C1N=NC2=C1CCCC2.CC(C)(C)c1ccncc1.[Pt+2]"]
["MCULE-6641048624","CC(C)(C)c1cncc(-n2nc(C3CNC3)c(Br)c2O)c1"]
["64193593","CC(Nc1ccc(Br)cc1)(C(=O)O)c1ccncc1"]
["134937280","CC(C)(CN=C(O)N1CCCCCC1)c1ccncc1"]
["99707550","CC1=[C-]CC(=C=NN=[N-])C=C1c1ccc(N=C(O)c2ccncc2C)cc1.[Na+]"]
["126051023","COC(=O)CC(C)(N=C(O)c1cccc2[nH]ccc12)c1ccncc1"]
["152940995","O=C(N[C@H](Cc1ccncc1)C1CC(O)C1)c1onc2c1CCCC2"]
["96320457","Cc1cnccc1CNCCCC(C)(C)C#N"]
["135633277","CC(C)(CN=C(O)Nc1ccc(Cl)c(OC(F)F)c1)c1ccncc1"]
["161299203","CC(C)c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccncc3)nc2)cn1"]
["MCULE-2947617991","CCN(CCc1ccncc1)c1cc(N2CCCC2Cc2ccc(Cl)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1"]
["121836807","Cc1ccc(CCN=C(O)NCC(C)(C)c2ccncc2)cc1"]
["65914967","N#CSc1ccc2c(c1)Sc1cc(SC#N)cc(N3c4ccc(SC#N)cc4Sc4cc(SC#N)ccc43)c1N2"]
["166434674","CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)/C(=N\\O)c4cc(C#N)ccc43)CC2)CC1"]
["169128997","C=CCN1C(=O)C(O)(C(=C)C#N)c2cc([N+](=O)[O-])ccc21"]
["59969162","Cc1cc(SC#N)ccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1"]
["159470497","CCOC(=O)N1CCN(C(=S)Nc2ccc(SC#N)cc2)CC1"]
["159799847","CCN(CC)S(=O)(=O)Nc1ccc(SC#N)cc1"]
["159859234","N#CSc1ccc(NC(=O)N2CCCc3ccccc32)cc1"]
["107205535","CC(C)[C@@]1(C)Nc2cc(Cl)ccc2N(C[C@@H](C)C#N)C1=O"]
["97584602","CCCCCCN1c2ccc(/C=C(\\C#N)c3ccc(Br)cc3)cc2Sc2cc(-c3ccc(Br)s3)ccc21"]
["17788573","N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1"]
["91134293","N#CSn1cncc2[n+](-c3ccccc3)nnc1-2"]
["153169835","CC1(C)O[C@H](C(F)(F)F)Nc2ccc(-c3csc(C#N)c3)cc21"]
["180690190","CCC(C1=CC#CCC1)c1cc2c(c(C3=CC#CC4CC34)c1)S1=CC=CC=C2C1"]
["173366296","CCC(CC)c1ncnc(C2=CC=CC3CC23)n1"]
["17003551","Cc1ccc(N2C(=O)CC[C@]2(C)C(O)=NCCC(C)C)cc1C"]
["15529471","CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(C)=O)CC2)C(O)=NCCC(C)C"]
["MCULE-5338571977","CCC(C)(N=C(O)C=C(c1ccc(C)c(C)c1)C1CC1)C(O)=Nc1cc(C(C)C)cc(C(C)C)c1"]
["85117630","CC(O)c1ccc(N2CC(O)CC2CN(C)C)cc1O"]
["100609422","CCC(N=C(O)CCc1ccc(C)c(OC)c1)C1CC(O)C1"]
["154235539","CC[C@H](C1=C(O)O[C@@H]2CCC[C@H]2C1=O)c1ccccc1"]
["52353254","CCC(C)N=C(O)c1ccc(OC)c(N=C(O)C(N=C(O)C2CCN(CC(O)=Nc3cc(C(O)=NC)ccc3C)CC2)C(C)C)c1"]
["88240601","CCC1CCCNC1CN=C(O)c1cc(C)ccc1C"]
["131743222","CCC(CN(CC)C(O)=NCC1CC1)c1ccccc1"]
["82090296","CC(C)CCC(=O)Oc1ccc(C(C(C)COC(=O)CC(C)(C)C)C(N)C(=O)O)cc1OC(=O)CCC(C)C"]
["184307870","Cc1c(C)c(C)c2c(c1C)C1=NC2=Nc2c3c(C)c(C)c(C)c(C)c3c3n2Nn2c(c4c(C)c(C)c(C)c(C)c4c2=NC2=NC(N3)c3c(C)c(C)c(C)c(C)c32)=N1"]
["100319066","C=[P+](C)C1CC(C)=Nc2c1c(O)nc(=O)n2[P+](=C)C"]
["3870743","Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1N=C(O)c2ccccc2N1"]
["81814523","Cc1ccccc1N1NC(C)C2C(N)NNC21"]
["CSSS14948295491","Cc1cccc(NC(C)c2nc(C3CC3)n[nH]2)c1C"]
["24327835","COc1ccc(N=C2Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccc(C)cc2)C3c2ccccc2F)cc1"]
["47166589","CC1=C(C)C(C)C2=C(C3=NC4=[N+]5C(=Nc6c7c(C)c(C)c(C)c(C)c7c7n6C56n5c(c8c(C)c(C)c(C)c(C)c8c5=N7)=NC2=[N+]36)c2c(C)c(C)c(C)c(C)c24)C1C"]
["175789559","CCC1=C2N=C3N=C(Nc4[nH]c(c5c(C)c(C)c(C)c(C)c45)NC4=NC(=NC1c1c(C)c(C)c(C)c(C)c12)c1c(C)c(C)c(C)c(C)c14)C1C(C)C(C)C(C)=C(C)[C@H]31"]
["174854348","c1ccc2c3c(ccc2c1)C1=Nc2c4c(ccc5ccccc54)c4n2Nn2c(c5ccc6ccccc6c5c2=NC2=NC(=N4)c4c2ccc2ccccc42)=NC3=N1"]
["178236686","c1ccc2c3n4c(c2c#1)N=C1N=C(N=c2c5ccccc5c(n2N4)=NC2N=C(N3)c3ccccc32)c2ccccc21"]
["184523388","CC1=CC(C2C=CC=CN2)=NC(C2=CCCC#C2)N1"]
["184147172","C=C/C=C\\c1c(C)c2n3c1=NC1=NC(Nc4c5ccccc5c(n4N3)N=C3N=C(N=2)c2ccccc23)c2ccccc21"]
["174560565","CC1=CC23C=C(C)CC45C=C(C)C=CC4(C5)C2(C=C1)C3"]
["170954161","CC(C)N1C=CC(C)(N)CC1=N"]
["160117092","Cc1cc2c(cc1C)C(C(O)=NC1CCOC3(CCOCC3)C1)CO2"]
["183126016","CC1=CC(C(=O)O)(C2CC2)CC(N)(C(=O)O)C1"]
["183504159","CCCC1=C(C)C=CC(N)(CCC)C1"]
["180809959","CC1=CC2(C=C1)CC=C2C"]
["185545627","NC1(c2ncccn2)C=CC(S(N)(=O)=O)=C(C2CC2)C1"]
["90711144","CC1=CC2(C)CC3(CC2(C)C1)SCCS3"]
["181967081","CC1=CC(C)(C)CCC1N"]
["26980858","CC1=C2CC(C)(C)C=C2[C](O)C=C1"]
["180910802","CC1=CC[C@@H](C)CC1Cl"]
["101125395","CC1=C[C@]2(C)COC(=O)[C@@H]2CC1"]
["142347420","COc1cc(C)nc(NN=C(O)c2cc(C)nc3onc(C)c23)n1"]
["8507836","CC[C@H](COC)N=C(O)c1cc(-c2cccc(C)c2)on1"]
["MCULE-9080031460","COc1ccc(C(O)=Nc2ncc(-c3ccc(F)c(C)n3)cn2)c(OC)c1OC"]
["MCULE-6095939316","COc1ccc(-c2cc(F)c(F)c(OC)c2)cc1C(O)=Nc1nnc(C)o1"]
["119961703","COc1cc(CNCc2cc(C(=O)O)no2)ccn1"]
["MCULE-6764774971","COc1cc(-c2cccc(C3(C#N)CC3)c2)cc(C)n1"]
["125514048","COc1cc(CN=C(O)N2CCC(CN(C)C)C2)c2ccccc2n1"]
["MCULE-7214896185","COC(=O)c1ccccc1N=C(O)Nc1ncccc1OCC(O)=Nc1cc(Cl)ccc1OC"]
["183134937","CN=C(O)c1cc(-c2ccc(N=[N+]=[N-])cc2)nc2n[nH]c(N)c12"]
["MCULE-8719149084","CCOc1ccc(C)cc1-c1ccc(N=C(O)c2cnoc2C)nc1C"]
["122926574","COc1cc(F)c(C(O)=Nc2nc(-c3ccco3)n[nH]2)cc1OC"]
["133593905","COc1ccc([N+](=O)[O-])cc1C(O)=Nc1nc2c(Cl)cccc2n1C"]
["91668559","C1=CC2=CC3=CC=CC4=CC5=CC=CC6=CC(=C1)C1C2=C3C4C5=C61"]
["76831531","COCOC1=CC=CC2=CC(C(=O)O)=NC(=O)C21"]
["30090556","Ic1nc2c(s1)CCC(C1=CC=C1)NC2"]
["103031425","NC=C1C=CC2=C/C(=C\\N)C=C2C1=O"]
["161443766","C1=CC2=Cc3cnccc3C3=CC=NC(=C1)C23"]
["74607046","C[C]1C=CC=C2C=NC=C=C12"]
["173294520","C1=CC2=CC(CC3=PC4=CC=CC4=C3)=PC2=C1"]
["153320105","CN(C)CCN1C(=O)[C@H]2C=CC=C3C=CC=C1[C@@H]32"]
["51384522","C[Si](C)(C)C1=NC2=CC=CC2=C1"]
["200306062","N/C=C1/C=CC=C(CN)N1"]
["173994717","OC(=N[C@@H]1CCNC1)C1=C/C=C\\C(C2=C/C=C\\C=C/C=C/2)=C/C=C1"]
["77995928","COC1=CC=CC2=CC(=O)N=C(C)C21"]
["187807116","CCN[C@@H](CS)C(O)=N[C@@H](CSSC[C@](N)(N=C(O)[C@](C)(CS)N=C(O)[C@](N)(CS)NC)C(O)=NC)C(O)=N[C@@H](CS)C(O)=NC"]
["131951665","Cc1c(C(C)NCC(O)=NC(C)(C#N)C(C)C)cnn1C"]
["76672","CCC(C)[C@@H](CN[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCSC)C(=O)O)NC[C@@H](N)CS"]
["MCULE-7574463400","CC(O)=Nc1cccc(N=C(O)C(CSCc2ccccc2)N=C(O)CC(c2ccccc2)c2cccc(F)c2)c1"]
["45718676","CCC(C)(C)N=C(O)[C@@H](C)N1C[C@@H](C)C[C@H](C)C1"]
["45179027","CC(N=C(O)C(CS)N=C(O)C(CCCCN)N=C(O)C(N)C(C)C)C(=O)O"]
["73896326","COC(=O)C(CSSCC(N=C(O)[C@H](OCc1ccc(OC)cc1)C(C)(C)C)C(=O)OC)N=C(O)CC(C)(C)C"]
["50980540","CC(C)CC(N)C(O)=NC(CC(=O)O)C(O)=NC(CC(=O)O)C(O)=NC(CS)C(=O)O"]
["57501826","CN=C(O)C1CCC(CN2C(=O)CC(SN[C@@H](CS)C(C)=O)C2=O)CC1"]
["78508852","CCOC(=O)C(CSSC(=O)[C@@H](N)CS)N=C(O)c1cnc(C(=O)NC(CSSC(=O)[C@@H](N)CS)C(=O)OCC)cc1-c1ccccc1"]
["48288337","CCNC(C)C1CCCN(C(C)C(O)=NC(C)(C)C)C1"]
["186247506","C=C=BSC[C@H](N=C(C)O)C(O)=NC"]
["159324990","O=C(O)C1=Cc2ccc3cc[se]c3c2OC1.O=C(O)c1cc2ccc3c(Br)c[se]c3c2oc1=O"]
["56741990","O=c1oc2ccc(Br)cc2cc1N=C(O)c1cccnc1"]
["77248802","CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cc3c(cc2Br)OCO3)C1=O"]
["MCULE-2439076633","CC(OC(=O)c1cc2ccccc2oc1=O)C(=O)OC1CCCC1"]
["198816211","Cc1cc(O[Si](C)(C)C(C)(C)C)c(Cl)cc1C(=O)O"]
["161409523","Nc1nc2oc3cnc(CCC4CCCC4)cc3c(=O)c2cc1C(=O)O"]
["69397880","COc1cccc2cc(N=C(O)C=Cc3ccc(Cl)cc3)c(=O)oc12"]
["MCULE-2515258748","Cc1nc(N=C(O)c2cc3cc(Br)ccc3oc2=O)nc(C)c1Br"]
["104805176","O=C(O)[C@@H](NCC1CC1)c1cc(Br)c2c(c1)OCCO2"]
["153969623","COc1ccc2c3c(ccc2c1)C(=O)[C@](C)(CC(C)=O)CC3"]
["114879068","CC1CCC(N=C(O)c2ccc(Cl)cc2Br)(C(=O)O)CC1"]
["197377002","COC(=O)c1cc(C2(C(C)O)CC2)oc1C"]
["178303169","C=C1C(C2=NC=CC3=CI=CN32)=NC=CN1/C=C\\C"]
["173152235","C=Cc1ncc2n1C(=C)CN=C2O"]
["74983264","C=C1C(NC(=O)OC(C)(C)C)=CC(Br)=CN1/C=C\\C"]
["184369029","C=C1C=Nc2c1nc(C)n(/C=C\\C)c2=O"]
["83160585","CC1=CC=CN2C1=NC1C(=O)C=CN=C12"]
["175245964","CC=[C-]C1C(C)=C=NN1/C=C\\C.[Y]"]
["180373526","C=C1C=C(C(C)N=CO)C(Cl)=NN1/C=C\\C"]
["174983845","C=C(Nc1sncc1Br)c1ncc(-c2cnn(C)c2)n1/C=C\\C"]
["74612427","C=C1[C](C(F)(F)F)C=CN=C1CC"]
["183158992","CC=CN1C(=O)C=C(OC2=CC(O)=NC2=O)C1=O"]
["173841883","C=C1N(/C=C\\C)C(=O)C=CN1C(C)C"]
["47888218","C=C1C(=O)C2(C(=O)N1OC)C(/C=C/C)C=CC(O)C2O"]
["194535235","C=c1c2c3c4c1c(C)c1c5c6c(c(C)c7c(=C)c8c(C)c9c(C)c%10c(c%11c9c9c8c7c6c(c54)c9c%113)CC=2C%10)C(C2Nc3c(C)c4c(=C)c5c6c4c4c3c3c2c(C)c2c(=C)c7c(C)c8c(C)c9c(c%10c8c8c7c2c3c4c8c%106)CC=5C9)N1"]
["180121657","C=BCc1cc2c3c4c(c5c(c3c1)C=CC5=C)C=C(C)CC4c1cc[nH]c1-2"]
["198285585","CC[C@H]1[C@@H](C)c2ccc(C)c(C)c2N[C@H]1c1ccc(C(=O)O)cc1"]
["149619074","C=Cc1[nH]nc(-c2ccc3nccn3c2)c1C=CC(O)=NC1CCC(C2CC2)N(Cc2c(C)cccc2OC)C1"]
["171831449","Cc1cc(-c2cccc(CC[N+]3(C)CC4CC(C3)N4)c2C2CC2)ccc1C#N"]
["164520811","C=C1C(C)=C2C(C)=C(C)C3=C(C)C(=C)c4c5c6c(c(C)c4=C)C(C)=C(C)B4C=6C(=C1C(=C)N4C)N2B35"]
["87640169","COc1cc(C)c2c(c1C)CNCC2CC(C)C"]
["3541045","COc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@H]32)cc1C"]
["190552128","C=c1ccc2c(c1)Oc1cc(O)ccc1C=2c1ccc(C(C)(C)C)cc1C(=O)O.CC(C)(C)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21"]
["131072137","Cc1oc2ncnc(N=C(O)CCC3CCC3)c2c1C"]
["166778557","C=C1CC(C)=C(/C=C\\C)/C1=c1/c(=C)c(/C=C\\C)c(C)c2c1c(C)c(/C=C\\C)n2C"]
["98678883","CC1Cc2c(ccc3c2Cc2sc(=N)[nH]c2-3)O1"]
["100191529","OC1=CC2O[C-]=CC3=C2C(=C1)O[Si]=[O+]3"]
["32812452","CCCCCCCCCCC[C@H](CC1=CC(=O)C=C(OC)C1=O)OC(C)=O"]
["179315643","C=CC(O)=C1C(=O)C=C2Oc3c(C(C)=O)c(O)c(C=N)c(O)c3[C@]2(C=N)C1=O"]
["195992744","CC1=CC(O)=C(c2cc3cc(Br)ccc3[nH]2)CC1C"]
["47309148","OC1CCC(Nc2ncc(Cl)cn2)CC1"]
["149315636","Cc1ccc(C2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(Br)c(C)c2)o1"]
["46516419","O=C1OC(c2ccc(Br)cc2)=C/C1=C\\c1ccccc1"]
["154166617","CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)OC3=CC(=O)C(O)=C(Cl)C3=C[C@@H]21"]
["107423065","O=C(c1ccc(Br)o1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccco1"]
["168291071","C=CC(CN)=C1C=C(O)C=CC1=O"]
["185831532","OC1=CC(O)C2=CC(c3ccc(O)cc3)=COC2=C1"]
["195037310","CC1=CC2=C3C(=CC(O)=CC3O1)OC(c1ccc(O)c(O)c1)=C2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]
["101133827","F[B-]1(F)[N+]2=C3C#CC#CC4=[N+]5C(=CC6=[N+](C(=C=C=C=C=C7C=CC(=[N+]71)C=C2C=C3)C=C6)[B-]5(F)F)C=C4"]
["50796660","Cc1cc(C)n2c1C=C1C=CC(CCC(O)=NCCN=C(O)c3ccc(-c4nnc(-c5ncccn5)nn4)nc3)=[N+]1[B-]2(F)F"]
["172653040","Cc1cc(C)n2c1C=C1C=CC(CCC(O)=NCCN)=[N+]1[B-]2(F)F.Cl"]
["33323018","CC1=CC(C)=C2C=C3C=CC(CCC(=O)N4C[C@H](C)N(C(=O)[C@@](C)(O)C(F)(F)F)C[C@H]4C)=[N+]3[B-](F)(F)C12"]
["97451283","Cc1cc(C)n2c1C=C1C=CC(CN=C(O)CI)=[N+]1[B-]2(F)[F+]"]
["174060874","CSc1nnc(CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)nn1"]
["81094272","Cc1cc(C)n2c1C=C1C=CC(C=Cc3ccccc3)=[N+]1[B-]2(F)F"]
["101275733","Cc1cc(C)n2c1C=C1C=CC(CCC(=O)OCC3=[O+]CCC3O)=[N+]1[B-]2(F)[F+]"]
["189812698","CC1=CC(C)=C2C=C3C=CC(CCC(=O)O)=[N+]3[B-](F)(F)[NH+]12"]
["179858461","Fc1ccc(C2=[C-]C=C=CC2)cc1.[Os+]"]
["188208012","F[B-]1(F)n2c(ccc2CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)C=C2C=CC(CCc3ccc(N(c4ccccc4)c4ccccc4)cc3)=[N+]21"]
["101003346","Cc1cc(C)n2c1C=C1C=CC(CCCC/C=C/[C@@H](O)[C@@H](N)CO)=[N+]1[B-]2(F)[F+]"]
["197730652","N=[O+]C(=O)C(CC(=[OH+])[O+]=N)C(Sc1n[n-]c(=S)s1)C(=O)[O+]=N"]
["160948576","CC1NCCCC1N=C(O)Nc1ncc(C2CCOCC2)s1"]
["1343826","C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N(C)C1CCCCC1"]
["92272831","CCCCC(Sc1sc(=N)[nH]c1C)C(=O)O"]
["80045717","NC(=O)c1ccc(CSc2ncc(-c3ccccc3)[nH]2)cc1"]
["53254324","Cc1nnc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1"]
["25481032","Cc1nnc(SC(Cl)C(=O)C(=O)OC(C)(C)C)s1"]
["18483912","O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccc(Cl)s1"]
["47607395","CCN(CC)CCN(C(=O)Cc1ccc(SC(C)C)cc1)c1nc2cc(C)cc(C)c2s1"]
["50739896","CCc1ccccc1-c1ccc(C(=O)C(C)C)s1"]
["101820856","CC(C)Sc1ccc(CC(=O)N(CCN(C)C)c2nc3ccccc3s2)cc1.Cl"]
["135634273","COC(=O)C(C)CC(=O)N(CCc1nccs1)C(C)C"]
["179651503","C1=CCC2=IC3=C[N-][CH-]N=C3I=C2C=1"]
["180196483","C1=CCC2=ICCN[C-]2C=1"]
["173285208","O=C1CC=C=CC1=[C-]O.[Ni]"]
["178993670","C1=CC=C=c2c=1ccn2C1=N[CH-][N-]C=C1.C=C1CC=CC=C1Cl.[U+2]"]
["74196012","C1=CC2=C(CCOC2)[N]N=1"]
["78131564","O=C1C=C=CC1"]
["178858169","O=C(O[CH-]c1ccccc1)C1=CC=C=CC1.O=C1[CH-]CCCC1.[U+2]"]
["195810981","N[C-]1CC2=ICCOC2=C=N1"]
["180435572","N#CC1=C(CI)C=C=CC1"]
["179957546","O=Cc1ccc(OC2=CC=CCC=C=C2)nc1"]
["172777869","C=C=C1[CH-]C=C=CC1.[Cu+]"]
["180673195","N=C1C=C=CC1"]
["150289161","CC1[NH2+]C=CN1C([N+]12C=CN3C(C)C1C32)S(=O)(=O)[O-]"]
["142601956","CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCC(c3cc[nH]n3)C2)c1"]
["160771480","CC1CN(S(=O)(=O)c2cccc3ccoc23)C1C"]
["183018860","C[C@@H]1CN(S(=O)(=O)N=[N+]=[N-])C[C@H](C)N1C"]
["68924892","COc1c(Cl)c(OC)c(/C=C/c2cc(C)cc(=O)n2OS(=O)(=O)C(C(F)(F)F)C(F)(F)F)c(OC)c1Cl"]
["20101662","C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)C1"]
["199624924","CC1CN(S(=O)(=O)c2ccc(NCC(O)CO)cc2)CC(C)O1"]
["156888588","CC(O)=Nc1cc(S(=O)(=O)N2C[C@@H](C)CCC[C@@H]2C)ccc1F"]
["135630454","CC(C#N)N1CCN(S(C)(=O)=O)[C@@H](C)C1"]
["74510955","CCC([N+]1(C)CCCC1)S(=O)(=O)[O-].[H+]"]
["156430609","C[C@@H]1CC[C@@H](C(=N)O)CN1S(=O)(=O)c1c(F)cccc1F"]
["158484769","Cc1cc(CS(=O)(=O)N2CCN(C)[C@@H](C)[C@@H]2C)no1"]
["23739400","CC1=C2N=C(C=C3N=C(C(C)=C4N[C@](C)([C@@H]5N=C1[C@](C)(CCC(O)=NCCO[PH](=O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(=N)O)[C@@](C)(CC(=N)O)[C@H]4CCC(=N)O)[C@@](C)(CC(=N)O)[C@H]3CCC(=N)[O-])C(C)(C)[C@H]2CCC(=N)[O-].[C]#N.[Co+2]"]
["64360701","CC1=C2N/C(=C\\C3=N/C(=C(/C)C4=N[C@H]([C@H](CC(=O)O)[C@@]4(C)CCC(=O)O)[C@]4(C)N=C1[C@@H](CCC(=O)O)[C@]4(C)CC(=O)O)[C@@H](CCC(=O)O)C3(C)C)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O"]
["62984210","COCCN=C(O)c1cc(-c2cccc(CN3O[C@@H](CO)[C@@H]([C@H](C)O)[C@H]3C(O)=N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c2OC)cc(N(C)C)c1"]
["171627679","Cc1ncsc1-c1ccc(CN=C(O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N=C(O)C2(F)CC2)C(C)(C)C)c(OCCN=C(O)CN2C[C@H]3CC(N(C)CCCNc4cc(N5CCC6(CC5)CN(c5cc(F)c(CN7CCC(C)(C)CC7)cc5F)CC(O)=N6)ncn4)C[C@H]3C2)c1"]
["198687035","Cc1cc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(C56CC(C)(C5)C6)CC(C)(C)CC4)CC3)cc2)ccc1N[C@H](CCN1CCN(C(O)=NCCOCCOCCN=C(O)CCC(O)=N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(O)=NCc2ccc(-c3ocnc3C)cc2)C(C)(C)C)CC1)CSc1ccccc1"]
["102953431","C/C1=C2/N=C(/C=C3\\NC(=CC4=NC([C@H](CC(=N)O)[C@@]4(C)CCCC(O)=NC[C@H](C)O)[C@@]4(C)N=C1[C@@H](CCC(=N)O)[C@]4(C)CC(=N)O)[C@@H](CCC(=N)O)C3(C)C)[C@@H](CCC(=N)O)[C@]2(C)CC(=N)O"]
["195789189","Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2c(ccc(C)[n+]2Cc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(N=C(O)CCN=C(O)CCOCCOCCOCCN3C(=O)C=CC3=O)c2)c1"]
["82577189","Cc1cc(OCCCNCCC(=N)O)ccc1CC1C(OC2OC(CO)C(O)C(O)C2O)NNC1C(F)(F)F"]
["198703154","Cc1ncsc1-c1ccc([C@H](C)N=C(O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](N=C(O)COCCN2CCN(c3ccc(C(=O)CC4C(C)(C)C(Oc5ccc(C#N)c(Cl)c5)C4(C)C)cn3)CC2)C(C)(C)C)cc1"]
["195481570","C[C@]12CS[C@@H](CCCCC(O)=NCCOCCOCCN(C3CC3)S(=O)(=O)c3ccc(CO)c(F)c3)[C@H]1N=C(O)N2"]
["163472069","CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCN(C(O)=NCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(O)=NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1"]
["34234370","CC1(C)OC23CC[C@]4(C)[C@@]5(C)c6[nH]c7ccccc7c6C[C@@H]5C[C@H](OCC(O)=NC5CC5)[C@@]4(O)C2=CC(=N)[C@@H]1O3"]
["30717959","N=C(O)CCC/C=C\\CC1[C@@H](O)C[C@@H](O)[C@H]1/C(O)=C\\CCCc1csc(Br)c1Br"]
["176141172","O=C(O)CCC/C=C\\C[C@H]1CCC(O)C1CC[C@@H](O)CCC1=CC=CC=CC1"]
["179622374","C[C@@H](O)CCC[C@H](O)/C=C/[C@@H]1[C@@H](CC=CCCCC(=O)[O-])[C@H](Cl)C[C@H]1O"]
["82877483","CCCCC(C)CC=C(O)C1C(OC(=O)c2ccccc2)CC(O)C1CC(=O)O"]
["175419986","CCCCCCCCc1ccsc1Br.N=C(O)c1cc2nsnc2cc1C(=O)O"]
["MCULE-3351616753","N=C(O)CCCc1ccc(Br)c(C(F)(F)F)c1"]
["150238741","CC1CC2CSC(=N)NC2(c2nc(N=C(O)c3coc(C(F)(F)F)n3)cs2)CO1"]
["174420120","COCC(=O)O.[B]C[C@@H]1CC(O)[C@H](CC=C)[C@H]1/C=C/[C@@H](O)CCc1cc(Br)c(C)s1"]
["187966274","C=CCON1C(=O)N2C[C@@H]1c1scc(CCN=[N+]=[N-])c1[C@H]2C(=O)N(C)C"]
["153254356","CC(C)(C)c1ccc(SCC(O)=NCC(O)=NC[C@@H]2[C@@H](C/C=C/CCCC(=O)O)[C@H]3CC[C@@H]2O3)cc1"]
["MCULE-3181851921","N=C(O)CCCc1ccnc2[nH]ccc12"]
["81492274","CN(CCCCO[N+](=O)[O-])C(=O)CCCC=CCC1C(O)CC(O)C1C=CC(O)COc1cccc(C(F)(F)F)c1"]
["174177957","C=CC(CC1OC(OC2OC(C(C=C)OC)C(C)C=C2C)C(C)=CC1C)OC"]
["32139487","C=C[C@H](CCCCCCCCCCC)OC(=O)/C=C/c1ccccc1"]
["58567572","C=C[C@@H](OC(=O)c1ccccc1)[C@H]1O[C@@H](n2cc(C#N)c3c(N)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1"]
["161829923","COC(OC)C1OC1C=O"]
["194918169","C=CCC12CC(OC)C(O)CC1(OC)OC(c1cc(OC)c(OC)c(OC)c1)C2C"]
["5296612","C=C[C@@H](N[C@@H](COC)c1ccccc1)C(F)(F)F"]
["194945262","C=CC(C)(O)CC1C=C(C)C(CC=C(C)C)O1"]
["185534751","C=CC(CO[Si](C)(C)OCC)OC"]
["179483905","Cc1cccc2c1C(C)OC2S"]
["197057730","C=CC(OC)c1ccc(C)cc1"]
["197748564","CCOC(=O)C(C[C@H]1O[C@H](Oc2ccc(N)cc2)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)OCC"]
["74361330","COC(c1ccccc1C)(C1CC1)[C@H]1CO1"]
["99647545","c1ccc([Si](O[Si-](O[Si-]([O+]=[Si]([O+]=[Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)O[Si](O[Si](O[Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]
["173809237","CO[Si-](O[Si-](O[Si](=[O+][Si](O[Si](C)(C)CCCc1ccccc1OCC1CO1)=[O+]C)c1ccccc1)c1ccccc1)c1ccccc1"]
["79701257","C[Si](C)(OCc1ccccc1[N+](=O)[O-])c1ccc([Si](C)(C)OCc2ccccc2[N+](=O)[O-])cc1.O=[N+]([O-])c1ccccc1CO[Si](O[Si](OCc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1"]
["173219914","CC(CCCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C1=CC=C2C=CC=CC21)C1C=Cc2ccccc21"]
["78429131","CO[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@H](N(C(=O)O)C(C)(C)C)CC1"]
["173560740","CC([C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](F)NC(O)=NCc1ccccc1"]
["172963650","C[Si](O[Si](C)(O[Si](C)(O[Si](C)(O[Si](C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1"]
["2206694","COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2nnc(C)o2)cc1OC"]
["96799960","COC[C@@]1(c2ccccc2)C[C@H](C[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)C1"]
["64039330","COC(=O)[C@@H](CN)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1"]
["168512375","CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)[Si](C)(O[Si](C)c1ccccc1)c1ccccc1"]
["66501432","Cc1cc(C)c([Si](O[Si](C)(C)C)(O[Si](C)(C)C)c2ccccc2)c(C)c1"]
["47027360","C1=C2C([PH+](c3ccccc3)c3ccccc3)=CC=[C-]C2C=c2cccc([PH+](c3ccccc3)c3ccccc3)c2=1.[C-]#N.[Ni+2]"]
["137327347","O=C(CC1CCS(=O)(=O)C1)OCC1(c2ccccc2)CC1"]
["175260475","C1=C2C=[C-]SC2C=c2ccsc2=1.[Rf]"]
["176119351","c1ccc([PH+](c2ccccc2)c2c3ccccc3cc3c2cc2c4c(cccc43)-c3ccccc3-2)cc1"]
["161335201","[Eu+3].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1"]
["97570064","CC(OC(=O)c1cccc(Cl)c1)[C@@H](c1ccc(S(C)(=O)=O)cc1)[Si](C)(C)c1ccccc1"]
["75312474","NC[C@]1(c2cccc(Cl)c2)CC[C@@H](N2CC(=O)N(c3ccccc3)CC2=O)CC1"]
["171871922","C1=C2C([PH+](c3ccccc3)c3ccccc3)=CC=[C-]C2C=c2cccc([PH+](c3ccccc3)c3ccccc3)c2=1.[CH-]=O.[Rh+2]"]
["116106157","CCN(C(=O)c1cc(=Nc2ccc(Br)cc2)cc[nH]1)c1ccccc1"]
["107394108","OC(=N[C@@H](Cc1ccccc1)C1CC1)c1cccc(Cl)c1"]
["98000592","CC(C(=[N+]=[N-])C(=O)O)c1ccccc1"]
["47297829","CC(Br)c1ccc(C(=O)O)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1"]
["173783152","OC(S)=N[B]C1CCCc2c(nnn2CB=BSC2CCC2)CC1"]
["82315065","CC(O)=NC(OC(Sc1nnnn1C)C1C=C(C(=O)O)N2C(=O)CC2S1)SCCO"]
["149555082","CCCn1nnc2c1CBCCC2"]
["145963465","Cc1nnnn1-c1cc(N=C(O)C2CC3CCCCC3N2)ccc1F.Cl"]
["820870","C=CCC(O)=NC1CCCc2c1cnn2-c1cc(F)cc(F)c1"]
["13341973","Cn1c[nH+]c(N=C(O)c2cccc(CN3CC[C@@H]4CCCC[C@H]4C3)c2)n1"]
["166535694","Cc1c(C(=O)C(=O)NC2(c3nnn(C)n3)CC2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2"]
["160916223","CC(C)c1ccc2c(c1)[C@@H](N=C(O)N1CCCC(CO)C1C)CCC2"]
["100018811","Cn1nnnc1SCC(=O)N1CCc2nc(N=C(O)C3CCC3)sc2C1"]
["136503820","Cn1nnc2ccc(C(O)=NC3CCCC3CN=C(O)OC(C)(C)C)cc21"]
["5622820","CC(C)N=C(O)[C@H](C)Sc1nnnn1C[C@@H]1CCCO1"]
["157150095","CCS[C@@H]1CCC[C@@H](N=C(O)N[C@H]2CCc3nc(CC)nn3C2)C1"]
["179287733","CC1CC2=C(C#CC(F)C2)C(c2c(O)ccc3cc(F)ccc23)=C1O"]
["171958604","O=S1(=O)C2CCC1CC(O)(c1cc(F)ccc1F)C2"]
["MCULE-7156871470","Cc1ccc(-c2nc(Nc3cccc4ccccc34)cc(N3CC(C)OC(c4ccc(F)cc4)C3)n2)cc1"]
["MCULE-4384627651","COc1cc(F)cc(-c2cccnc2N=C(O)C2CC(=O)N(Cc3ccccc3)C2)c1"]
["173905965","COc1cc2ncnc(Nc3ccc(F)cc3C)c2cc1O"]
["106702861","CCOc1ncc([C@@]2(O)CCC[C@@H]3CN(Cc4ccc(F)cc4F)C[C@@H]32)c(OCC)n1"]
["144371416","O=[N+]([O-])c1ccc(F)cc1C(O)=Nc1cc2c(cc1Cl)OCCO2"]
["80686790","CCn1cc(C2CCCN2C(=O)C[NH3+])c2ccc(F)cc21"]
["137108205","Cc1cc(F)ccc1N=C(O)C(=O)N1CCOC(c2ccc(F)cc2)C1"]
["MCULE-3427259052","CC1COCCN1C(=O)C1CCN(c2ccc(-c3cc(F)cc(F)c3)cn2)CC1"]
["31508183","CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)C(C)OC1(CC1)CN3S(C)(=O)=O"]
["98352688","CC1CC[C@H](c2ccc(Oc3cccc(F)c3)cc2)N1C(=N)O"]
["181671941","CC1(C)C(N=[N+]=[N-])=C2C(=C1C1=C3C=S=CC=C3C=C1)C(c1ccc3ccscc1-3)=C(c1ccc3ccscc1-3)S2(c1ccc2ccscc1-2)c1ccc2ccscc1-2"]
["183788384","CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(N=[N+]=[N-])cc1C3(C)C"]
["MCULE-7394143016","Cc1csc(N=C(O)c2ccc(C(F)(F)F)cc2-c2ccsc2)n1"]
["183837117","COCCOCOC1(CC2SC(=O)N=C2O)C=CC(c2cccc(CN=[N+]=[N-])c2)=CC1"]
["MCULE-7947185764","Cc1ccc(F)cc1N=C(O)c1ccc(F)cc1-c1ccsc1"]
["182970085","[N-]=[N+]=Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CN=C3O)ccn1"]
["182221515","CN(c1ncc(-c2ccsc2)c(N=[N+]=[N-])n1)C1CCCCC1"]
["MCULE-8400069905","COc1ccc(N=C(O)c2cc(-c3ccsc3)ccc2OC)cc1OC"]
["MCULE-4872765759","Cc1ccc(F)cc1C(O)=Nc1ccc(F)c(-c2ccsc2)c1"]
["181371640","COc1ncc(N=[N+]=[N-])cc1-c1ccc2ncsc2c1"]
["134700508","CC(C)(O)CN=C(O)c1cnc(-c2ccsc2)s1"]
["MCULE-9077057545","Cc1ccc(C#N)cc1N=C(O)c1cccc(-c2ccsc2)c1F"]
["192502664","[B+]=NCCN(CC[S-])C([O-])CCSCCN(CC=C)C(=O)CN=[B+].[B]=NCCC(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C([O-])CCSCCN(CCN=[B+])C(=O)CCSCCN(CC=C)C([O-])=CN=[B+].[B]=NCCN(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C=C"]
["182901600","CC(C)N=C(O)CCC(Cc1cn(C)c2ccccc12)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["48683222","C=CCN(Cc1ccccc1)C(=O)[C@H]1[C@@H]2SC3(CC2Br)C(C(=O)N(CC=C)c2ccc(Cl)cc2)N([C@@H](CO)Cc2ccccc2)C(=O)[C@H]13"]
["16503288","C=CCN(CCc1ccccc1)C(=O)CC[C@H]1N=C(O)N=C1O"]
["MCULE-5928347568","CCCN(CCC)C(=O)CSc1nnc(C(C)c2ccccc2)n1N=Cc1cccnc1"]
["44958935","C=CCN(C)C(=O)[C@H]1[C@H]2C(=O)N(CCO)C(C(=O)N(CC=C)Cn3nnc4ccccc43)C23CC(Br)[C@@H]1S3"]
["98762704","CCC(CC(CCCC1CCCC1)Cc1ccc(OC)c(C)c1)C(=O)CCCCC(=O)c1ccc(OC)cc1"]
["169731444","COC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N=C(O)/C=C/C=C/c1cnc(N(C)C)s1"]
["57384571","C=CCN(C(=O)CC(N=C(O)c1ccccc1Cl)c1ccccc1)c1ccccc1"]
["17605757","C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(O)=NCCc2ccco2)c1"]
["62336902","CCCC[C@H](N=C(O)/C(=C\\c1ccccc1)NC(=O)c1ccc(OC)cc1)C(=O)O"]
["60603381","C=CCN(CC(=O)N1CCc2sccc2C1c1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1"]
["147782414","N=NC1=N/C(=N/c2nnc(-n3[nH]c(N=N)nc3=NN)nn2)N=N1"]
["53926535","COc1ccn(C)c(=NN)n1"]
["125402043","COc1nc(N2CCCCCC2)nc(N2CCCC2C)n1"]
["161493502","[N-]=[N+]=Nc1nc(=NCCO)n(-c2nnc(=Nc3nc(=N)[nH]n3CCO)[nH]n2)[nH]1"]
["99723319","CC1=NC(=NN)N=N1"]
["32654039","NCC(O)=Nc1nc2ccc(Cl)cc2[nH]1"]
["47589201","CN=c1nc(C(F)(F)F)[nH]n1-c1ccc(C)cc1C"]
["MCULE-2089942174","Clc1cccc(-n2[nH]nnc2=Nc2nc(-c3ccccc3)cs2)c1Cl"]
["198287099","CN/N=C(/c1cccnn1)N1CCN=C(c2c(F)cccc2F)c2c1ccc(OC)c2Cl"]
["165786858","CSc1n/c(=N/N)c(=N)[nH]n1C"]
["48783253","CC1(C)N=Nc2c1c1nncn1[nH]c2=NN"]
["177591333","CCC(C)(CC)NNc1nc(=N)n(-c2nnc(=Nc3nc(=NN)[nH][nH]3)[nH]n2)[nH]1"]
["175778184","CC(O)=NC(=IS)C(=O)Oc1ccccc1C([O-])Oc1ccccc1C(O)=S=IC(N=C(C)O)C(O)=S=IC(N=C(C)O)C(=N)O"]
["10002697","C[C@@H](COc1ccccc1F)NC(O)=NCC(C)(C)NS(C)(=O)=O"]
["55638877","COc1ccccc1C(CN=C(O)Cc1ccccc1Cl)N1CCCCC1"]
["197680066","C=CCOC(O)=N[C@H](C(=O)O)c1ccccc1F"]
["76429506","CC(N=C(O)OCc1ccccc1)C(=O)N(C)CCOc1ccccc1F"]
["51914746","COC(=O)COc1cccn2c(Cc3ccccc3)c(CCCP(Br)(c3ccccc3)(c3ccccc3)c3ccccc3)c(C(=O)C(=N)O)c12"]
["164787246","CCC(Oc1cccc(C)c1C)C(O)=NC(C)COc1ccccc1C"]
["45001475","CC(=O)Oc1ccccc1C(=O)O.O=C(O)c1c(O)cccc1O.O=C(O)c1ccccc1"]
["77334526","Cc1c(OC(=O)CCCCCN=C(O)C(N)C(C)C)cccc1C(O)=NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(O)=NC(C)(C)C.O=C(O)C(F)(F)F"]
["163686797","C[C@H](C(=O)Oc1ccccc1C(O)=Nc1ncc([N+](=O)[O-])s1)C(C)(C)C"]
["MCULE-5375720557","O=C(c1ccccc1OC(F)(F)F)N1CCN(CC2CCN(CC3CC3)CC2)CC1"]
["157568519","Cc1ccccc1[C@H](CC(=O)O)N=C(O)C[C@@H]1C[C@H]1c1ccccc1"]
["152838299","O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2"]
["132436209","O=C(c1ccnnc1)N1CCC(Oc2cccc(Br)c2)CC1"]
["45277180","C[C@]12CCC3c4ccc(OS(N)(=O)=O)cc4CCC3C1CC(=O)N(CCCCBr)C2=O"]
["117400495","Cn1c(=O)oc2cc(NS(=O)(=O)c3cccc(C(=O)O)c3)ccc21"]
["152502460","CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\\c3ccc(C)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1"]
["3408509","O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc(F)cc1"]
["58049891","COc1ccc(Br)cc1C1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21"]
["MCULE-4572913658","COc1cccc(C2CSc3nnc(-c4ccccc4Cl)n3N2C(=O)c2ccc(C)cc2)c1"]
["88596867","COC(=O)c1cccc(S(=O)(=O)Nc2nc(OC)n[nH]2)c1"]
["MCULE-1480709364","O=C1C(Nc2ccccc2N2CCOCC2)=C(c2cccc(Br)c2)C(=O)N1C1CCCC1"]
["126984273","Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)ncc1Br"]
["155173483","O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1"]
["192201470","C1=C2C3=C(C1)C1C4=CCC5=C4c4c1c3c1c3c4C5C4=CCC(=C43)C2C1.C1=C2Cc3c(c4c(c5c3C3=CCC=C3C5)C3=CCC=C3C4)C2=CC1.c1cc2n3c1C1c4c-3c3c5c6c4-n4c1ccc4C6c1ccc(n1-5)C32"]
["180712776","Brc1ccc2c(c1)-c1c3c(c4c(c1C2)-c1cc(Br)ccc1C4)C1=CC(Br)CC=C1C3"]
["31923335","Cc1ccc2n1-c1c3c4c5c6c1C2c1ccc(n1-6)C5c1ccc(n1-4)C3"]
["57363769","CC1=C2CC(=C1C)C(C)C1C=C(C(C)=C1C)/C(C)=C1\\CC(C(C)=C1C)C(C)C1=C/C(=C\\2C)C(C)=C1C"]
["74357308","NCc1ccc(C2=CC=C(N3CCC(=CC(=O)O)CC3)CC2=C=O)cc1"]
["33114466","C1=C(C2=CCc3c4c(c5c(c32)CCC5)CCC4)Cc2c1c1c(c3c2CCC3)CCC1"]
["169990699","NC1=C=C(c2cccc(N(C3=CC=C(c4ccccc4)C3)c3ccc(-c4ccccc4)cc3)c2)C2=C1CC1=CCC=C12"]
["98523946","Cc1cc(O)c2c(c1O)C=C1C(=CCc3c1c(O)n(-c1ccc(N4CCOCC4)cc1)c3O)[C@@H]2c1ccc(O)cc1"]
["46285847","CC(C)=C1SC2=C(CC3=CCC=C32)N1C"]
["200445145","Cc1nn(C2CCCC2)c2c1C(c1cccn1-c1ncccn1)CC(O)=N2"]
["193832461","CN1CC(N)[C@H](N=C2Cc3c(/C(Cc4ccc(F)c(Cl)c4)=N\\O)cc(F)c(F)c3N2)C1"]
["27771754","CN(C)c1ccc(C#CCCN2C=CC(C3=CCC=CC3)=CC2)nc1"]
["97374728","CCC1=C(C)C2=[N+]=C1C=C1[NH2+]C(=CC3=[N+]=C([CH+]C4=[N+]=C([CH+]C5=[N+]=C2C(C)=C5CC)C(C)=C4CCC([O])=[NH+]CC[N-]CC[N-])C(CC)=C3CC)C(CCC(=O)[N-]CC[N-]CC[N-])=C1C"]
["59472921","Br.CCOC(=O)C1=C(C)N=C2SC(C([O-])=Nc3ccc(C(=O)OCC)cc3)=CC(=O)N2C1c1ccc(OC)cc1"]
["58381989","CCOC(=O)c1c(N=C(O)COC(=O)COc2ccc3c(c2)CCC(=O)N3)sc(C)c1CC"]
["53659522","CCOC(=O)c1c(N=C(O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc23)sc2c1CCC(CC)C2"]
["70007049","CCc1ccc(OC2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N(C(=O)C(C)c3ccccc3)C2)cc1"]
["68535761","Cc1cc(C)c2c(c1)N(C(=O)CCCOc1ccc3c(c1)CCC(=O)N3)CCC2"]
["MCULE-4764193781","CC1=C(CCC(=O)O)C2=Cc3[nH]c(c(CCC(=O)O)c3C)C=C3[NH+]=C(C=C4[NH2+]C(=CC1=N2)C(CCC(=O)O)=C4C)C(CCC(=O)O)=C3C"]
["1717501","CCCCOC(O)=C1C=CC(=NC(=O)C[n+]2cc(CC)ccc2C)C=C1"]
["114815200","CCOC(=O)C1=C(C(C)=O)S/C(=C2/C=CC(=O)C=C2F)N1"]
["55107977","CCOC(=O)c1c(N=C(O)c2ccc(OC)cc2OC)sc2c1CCN(CC)C2"]
["58886450","CCC1=C(C)C2=CC3=NC(=CC4=NC(=C5c6[n-]c(c(C)c6C(=O)C5(C)C(=O)OC)C=C1[NH2+]2)C(CCC(=O)OC)C4C)C(C)=C3C[P+](F)(F)F"]
["63025973","CCOC(=O)c1c(N=C(O)CCc2ccc(OCC)cc2)sc2c1CCC(C(C)(C)C)C2"]
["184587721","CCC1(c2ccc(N3C4=C(C(=O)CC(C)(I)C4)[C@@](CC)(c4ccc(C)cc4)c4scnc43)cc2)C2=C(CC(C)(I)CC2=O)Nc2ncsc21"]
["42869480","Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)[C@@](C)(c3ccc4c(c3)OCO4)N=C2O)c1"]
["104013725","COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1"]
["12046767","CC1(C)C(O)=Nc2ccccc2N1C(=O)CN1C(=O)[C@@](C)(c2ccc(OC(F)F)cc2)N=C1O"]
["134139523","Cc1ccc(C2(C)N=C(O)N(Cc3nc(Cc4noc(C)n4)no3)C2=O)cc1"]
["MCULE-3246709055","CCOC(=O)N1CCN(C(=O)C(N=C(O)Cc2csc(COc3ccc(C)cc3)n2)c2ccccc2)CC1"]
["179334574","CC1(C)CCC2=C(C1=O)[C@@H](c1ccccc1)c1scnc1N2"]
["51574129","CCC1(C)N=C(O)C(C)N(C2CCCc3sccc32)C1=O"]
["126311014","Cc1ccc(S(=O)(=O)NN=C(O)c2scnc2C)cc1"]
["3166595","CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc(F)c3)C2)[C@H]1c1ccccc1"]
["MCULE-5921377076","CCOC(=O)c1cnn(-c2ccc(S(=O)(=O)C(C)C)cc2)c1I"]
["143253307","Cc1ccc(-c2noc(-c3ccc(N4N=C(O)CCC4=O)cc3)n2)cc1"]
["186152639","CCC(C)NC1C(=O)C(C)(C)C(=O)C(C)(CCC2(C)C(=O)C(/C(=N/O)C(C)CC)C(=O)C(C)(CCC3(C)C(=O)C(C(O)C(C)CC)C(=O)C(C)(C)C3=O)C2=O)C1=O"]
["30781909","CCCCCCN1C(=O)[C@H]([C@@H](O)C(C)C)[C@](C)(O)[C@@H]1C(=O)OC"]
["56661418","CCN(CC)C(C)NC1C(=O)C2(C)CCC1C2(C)C.Cl"]
["63370027","CCC(C)C(C)Nc1ccc(N)cc1C(=O)O"]
["149600517","CC(C)=CCC12C[C@@H]3C(C)(C)[C@H](C(C)(C)O)C[C@]3(C(=O)C(C(=O)CC(C)C)C1=O)C2=O"]
["178586495","CC(N)C(NC(O)c1ccc(C#Cc2ccc(CNC3CCC3)cc2)cc1)C(O)=NO"]
["133893289","COCC(O)=NC1CN(C(=O)C2(CC(C)C)CCCC2)C1"]
["79241729","CC(/C=C/[C@]1(C)[C@H](C)C(=O)CC[C@@H]1C)=C\\Cc1c(O)c(C=O)c(C)c(Cl)c1OCC(=O)O"]
["146508254","CC[C@H](C)[C@H](N=C(O)COc1ccc(OC)c(C)c1)C(=O)O"]
["60997225","CCC(C)C1N=C(O)CCN(C(C)C(C)CC)C1=O"]
["67051661","CCC(C)COC1=CC(=O)/C(=C(/C)NC)C=C1.[Ni]"]
["88495452","CCC(C)C(C)Nc1cc(C(O)=NC)ccc1[N+](=O)[O-]"]
["174327300","C#CCOCC/C=C\\SC/C=C1\\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.CC"]
["123899599","C#CCOCCC(O)=NCc1cccc(S(N)(=O)=O)c1"]
["MCULE-5405124122","CC(C)OC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O"]
["MCULE-9161410949","C#CCOCCOCCN=C(O)[C@@H]1C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21"]
["170636989","C#CCOCCOCCCN=C(O)N1CC(Oc2cccc(Oc3ccc(C(O)=N[C@@H](CCC(C)(C)C)C(=O)OC)cn3)c2)C1"]
["171647288","C#CCOCCOCCOCCOC[C@H]1CN(C(=O)CSc2nc(O)ncc2Cl)[C@H](C)c2ccc(OC)cc21"]
["29926020","Cc1cc(N=c2nc3cccc(CC4CCOCC4)n3[nH]2)cc2c1C(C)(C)C(O)=N2"]
["178675015","COc1cc(F)ccc1-c1ccc2c(c1COC(O)c1cccnc1)C(C)=CC(C)(C)N2"]
["MCULE-9614892415","O=C1C(=Cc2c(Cl)cccc2Cl)Oc2cc(OC(=O)C(Cl)(Cl)Cl)ccc21"]
["29915044","Cc1cc(Br)ccc1-c1cnc(S(=O)CCCOc2ccc3c(c2)CCC(=O)N3)[nH]1"]
["67594612","COc1ccc(-c2nc(SCC(O)=Nc3ccccc3Cl)n[nH]2)c(OC)c1"]
["109198967","COc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)N(C)C)C2=O"]
["178400433","Cc1nc2c([nH]1)=NC(=C1N=c3nc(CCc4ccc(-c5ccc(-c6ccc(C)c7nsnc67)cc5)c5c4N=S=N5)sc3=N1)N=2"]
["161245642","CCc1sc(-c2ccc(F)cc2)nc1CSc1nc(C)cc(=N)[nH]1"]
["155254747","Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(C)(C)C)nc5[nH]4)c23)cc1"]
["MCULE-8604618350","Cc1ccc(C)c(-c2cncc(CN=C(O)c3scnc3C)c2)c1"]
["78576489","CCCCCCCCCCCCCCCCCCCCc1nc2c(C)ccc(-c3cc4c(s3)c3sc(C)cc3n4CCCCCCCC)c2nc1C"]
["52543770","Cc1nc(-c2ccc3c(c2)CCO3)sc1CNC1CCC(N=c2nc(N(C)C)c3ccccc3[nH]2)CC1"]
["191517591","CC(C)(C)c1cc2c(O)c(c1)-c1cccc(n1)-c1cccc(n1)-c1cc(C(C)(C)C)cc(c1O)-c1ccc([nH]1)C(c1ccccc1)=C1C=CC2=N1.CC(C)(C)c1cc2c3nc(c(-c4ccccc4)c4ccc([nH]4)c4cc(C(C)(C)C)cc(c4O)c4ccc5ccc6ccc(nc6c5n4)c(c1)c2O)C=C3"]
["145109696","COc1ccc(-c2sc(CCO)nc2C)cc1F"]
["79974081","Cc1ccc(C2=NNC(c3cc4cccc(C)c4nc3Cl)C2)s1"]
["120921042","COCc1nc(-c2ccc3nc(C)[nH]c3c2)cs1"]
["10535031","Cc1ccc(CC(O)=Nc2nc3c(C)ccc(C)c3s2)cc1"]
["150054541","C=C1OCCc2ccnc(CCc3ccc(=N)[nH]c3C)c21"]
["82050525","O=C1N=C2C(=CC(F)=CC2F)C=C1C(=O)C1C=c2cc(F)cc(F)c2=NC1=O"]
["94351838","O=C(O)C1CN(c2cc(F)cc(F)c2[N+](=O)[O-])C1"]
["MCULE-5441781058","CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)C1c1ccc(Cl)cc1"]
["15413277","O=C(c1ccccc1Cl)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1"]
["111951983","Cc1cc(N2CC(O)=NC(=O)C2C)c(N)cc1F"]
["114376824","O=[N+]([O-])c1c(F)cc(F)cc1N(CCO)CC(F)F"]
["133580365","CC(C)[C@H](N=C(O)c1c(O)cc(F)cc1F)c1nc(C2CC2)no1"]
["85645767","CC(C)C(C#N)C(=O)c1c(F)cc(Br)cc1F"]
["MCULE-9765637610","Cc1cc(C(=O)NCC2CCN(C(=O)Cc3c(F)cccc3F)CC2)no1"]
["17529353","Cc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CC1)C(=O)N2Cc1ccc(F)cc1F"]
["120465712","CC(CO)NC1C(O)=Nc2cc(F)cc(F)c21"]
["MCULE-3341355538","O=C1CCC(C(O)=Nc2cnc(-c3c(F)cc(F)cc3F)cn2)O1"]
["57710265","CC1C[Si](C)(CC[Si-]=[O+][Si-][O+]=[Si-]CC[Si]2=[O+]C(C)C[Si](C)(C)O[SiH](C)O2)O[SiH](C)O[Si](CC[Si-]=[O+][Si-][O+]=[Si-]CC[Si]2=[O+]C(C)C[SiH](C)O[SiH](C)O2)O1"]
["68195577","CC1C[SiH](C)O[SiH](C)O[Si-](CC[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si]([O+]=[Si-][O+]=[Si-][O+]=[Si-]CC[Si]2=[O+][SiH](C)O[SiH](C)O[SiH](C)O2)([O+]=[Si-][O+]=[Si-][O+]=[Si-]CC[Si]2=[O+][SiH](C)O[SiH](C)O[SiH](C)O2)[O+]=[Si-][O+]=[Si-][O+]=[Si-]CC[Si-]2O[SiH](C)O[SiH](C)O[SiH](C)O2)O1"]
["47045584","CC1C[Si](C)(CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si]2=[O+]C(C)C[SiH](C)O[SiH](C)O2)O[SiH](C)O[Si](CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si-]2OC(C)C[SiH](C)O[SiH](C)O2)O1"]
["55577867","C[SiH]1O[Si]([O+]=[Si-][O+]=[Si-][O+]=[Si-][O+]=[Si]2O[SiH](C)O[Si](C)(CC[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]3O[SiH](C)O[SiH](C)O[SiH](C)O3)O[SiH](C)O2)O[SiH](C)O[SiH](C)O1"]
["68585111","C[Si-]=[O+][Si](C)(C)O[Si](C)(C)CC[Si]1O[SiH](C)O[SiH](C)O[SiH](C)O1"]
["66242808","CC1C[SiH](C)O[SiH](C)O[Si-](CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si]2=[O+]C(C)C[SiH](C)O[SiH](C)O2)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si-]2CC(C)O[SiH](C)O[SiH](C)O2)[O+]=[Si-][O+]=[Si-]O[Si](C)(C)CC[Si]2=[O+][SiH](C)C[SiH](C)O[SiH](C)O2)O1"]
["179723182","C[I+]C1/C=C(/F)C([O-])C(O)C(O)C/C=C/c2cc(N)cc([O-])c2C(=O)OC1C"]
["63392537","CC1C[Si-]([O+]=[Si-][O+]=[Si-][O+]=[Si-]O[Si]2(C)CC(C)O[Si](O[Si-]=[O+][Si-]=[O+][Si](C)(C)O[Si]3=[O+]C(C)C[SiH](C)O[SiH](C)O3)O[SiH](C)O2)O[SiH](C)O[SiH](C)C1"]
["54481417","C=C(CCCCC)C[Si]1OC(C)C[SiH](C)O[SiH](C)O1"]
["49424514","C[Si-]=[O+][Si](O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si]1=[O+]C(C)C[SiH](C)O[SiH](C)O1)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si-]1C[SiH](C)O[SiH](C)CC(C)O1)[O+]=[Si-][O+]=[Si-]O[Si](C)(C)CC[Si]1O[SiH](C)CC(C)O[SiH](C)O1"]
["44221736","CC1C[SiH](C)O[SiH](C)O[Si-](CC[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si]([O+]=[Si-][O+]=[Si-]CC[Si-]2O[SiH](C)O[SiH](C)O[SiH](C)O2)([O+]=[Si-][O+]=[Si-]O[Si](C)(C)CC[Si]2=[O+][SiH](C)O[SiH](C)O[SiH](C)O2)[O+]=[Si-][O+]=[Si-][O+]=[Si-]CC[Si]2=[O+][SiH](C)O[SiH](C)O[SiH](C)O2)O1"]
["66510870","CC1C[SiH](C)O[SiH](C)O[Si-](CCCCCC[Si-]=[O+][Si](O[Si](C)(C)CCCCCC[Si]2=[O+][SiH](C)O[SiH](C)O[SiH](C)O2)([O+]=[Si-]CCCCCC[Si]2=[O+][Si-]=[O+][SiH](C)O[SiH](C)O2)[O+]=[Si-]CCCCCC[Si-]2O[SiH](C)O[SiH](C)O[SiH](C)O2)O1"]
["184780642","[C-]#[N+]C1=CN(c2ccccc2)CN1CC1CC2c3cc(CCN4CN(c5ccccc5)C=C4C#N)cc(c3)CCN3C(C#N)=CN(c4ccccc41)C23"]
["109723690","C[C@@H]1CN(c2ccc(CN=C(O)N[C@@H]3CCc4ccccc43)cc2F)C[C@@H](C)O1"]
["17859276","Cc1cc(=O)c(C(O)=N[C@H]2C[C@H]2c2ccccc2)nn1-c1ccccc1[N+](=O)[O-]"]
["51287117","[C-]#[N+]CN1C[C@H](c2cccc(OCC#N)c2)N(c2ccc(Cl)cc2)S1(=O)=O"]
["122748778","CC1CCN(CCCS(C)(=O)=O)c2ccccc21"]
["100663930","N#Cc1ccccc1-c1cc(C(=O)CCC(=O)O)cn(-c2ccccc2)c1=O"]
["164299078","CSC1=Nc2ccccc2C2N(CCc3ccccc3)C(=O)c3ccccc3N12"]
["131438724","COc1ccc(CNC(CN2CCCC2=O)c2ccccc2)cc1C#N"]
["59170205","CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O"]
["150847017","Cc1cc(/C=C(\\C#N)C(O)=NCc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1"]
["113417945","N#CCCc1nc(C2CCCc3ccccc32)no1"]
["MCULE-7460968619","Clc1ccccc1-c1nc(Nc2cccc3cccnc23)cc(N2CCc3ccccc3C2CCc2ccccc2)n1"]
["192062528","CCCC(=O)COCOCC(F)(F)OC(F)(F)C(O)=NCC.CCO[Si](COCOCC(F)(F)OC(F)(F)[Si](C)(OCC)OCC)(OCC)OCC.CP(=O)(O)OCCCCOCOCC(F)(F)OC(F)(F)CCCOP(=O)(O)O"]
["161268660","CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COP(=O)(O)OC(CC)CCN=C(O)COC2C#CCCCCC2)O1"]
["161377032","Cc1cn([C@H]2C[C@@H](O/C=C/C=C/C=C/C=C/OP(=O)(O)OCCOCCN=C(O)OCC3[C@H]4CCc5nnn(C)c5CC[C@@H]34)[C@@H](CO)O2)c(=O)nc1O"]
["53454051","CCCCCCCOc1ccc(CCC(C)(COP(=O)(OC(C)(C)C)OC(C)(C)C)N=C(O)OC(C)(C)C)cc1C(F)(F)F"]
["78146722","CCCCCCOC[C@H]1[C@@H](C/C=C\\CCC(C)(C)C(O)=NO[Si](C)(C)C(C)(C)C)[C@H]2CC[C@@H]1O2"]
["60733431","CCCC(=O)COC(C)C(F)(F)F"]
["66307093","CCCCCCCCCCCCCCCCOCC(CC(Br)COP(=O)(O)O)Oc1cc(-c2ccccc2)on1"]
["140948572","CCOCCCCN=C(O)CSc1nnc(-c2ccc(F)cc2)o1"]
["123207763","CCN=C(O)CN1CCCN(c2nc(CCOC)ns2)CC1"]
["199754780","CSCCC([O-])=NCCCCCOC(O)=NCCCCCCOP(C)(=O)O"]
["78668490","CCCCCCCCOCC(COCCCCCC(=O)O)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1"]
["45810802","CCCCCCCCCCCCCCCCCCOCCOP(=O)(N[C@@H](C)C(=O)OC)OC[C@@H]1OC[C@H](n2cc(C)c(O)nc2=O)O1"]
["178783611","[C-]1=C2I=c3ccc4c5c3c3c6c7c(cc8cccc9c%10cccc%11cc%12c%13c(c5c6c%12c(c%11%10)c7c89)-c5c(ccc6c5C%13CCO6)I=4)C3C2=[C-]CC1"]
["142087737","OC(=NC1CCOc2ccc(F)cc21)c1coc(-c2ccccc2)n1"]
["116901648","OC1CCC(NC2CCCOc3cc(Cl)ccc32)CC1"]
["144268324","CN(Cc1ccccc1)C(O)=NCCC(O)=NC1CCOc2ccc(F)cc21"]
["130045207","OC(=NC1CCOc2ccc(F)cc21)C1(c2cccc(F)c2)CC1"]
["121513284","OC(=NN=C(O)C1CCOc2ccccc21)c1cc2ccccc2o1"]
["59577257","c1ccc2c(c1)OCCC2Nc1cnc2ccccc2n1"]
["91502474","c1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10ccc%11cc%12c(c1)c2c1c3c4c2c5c6c3c7c8c4c9c%10c%11c5c%12c1c2c3c45"]
["42277707","C[C@@H]1CCCCO[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(N=C(O)Nc3cccc4ccccc34)ccc2O1"]
["101056666","Cc1ccc(-[n+]2c3ccc4cccc5c6cccc7c8cccc9ccc2c(c98)c(c67)c3c45)cc1"]
["115487512","CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN(C)C)C3c3cccc4ccccc34)ccc2O1"]
["175481742","O=C(O)c1c(C2CCOc3cc(F)ccc32)ccc(C(F)(F)F)c1F"]
["174450141","C=C([B+]c1cccc2c1=S=CC=C=2)C1CCB(CCC2=CC3=[B-]=C(O)COC3=CC2)CC1.[Cm]"]
["173691583","O=C(OC1CN2CCC1CC2)C1(N=C(O)c2cccc(OCCCCC[As]CC(O)c3ccc(O)c4nc(O)ccc34)c2)Cc2ccccc2C1"]
["92532044","Nc1cccc(OCCC(O)=NC2CCSCC2)c1"]
["181761247","[N-]=[N+]=NCC1CCc2c(O)ccc3c2C1=CC3"]
["172718650","COCCCOc1cc(C)c(-c2cccc(OC=C3C=C4OCC(CC(=O)O)C4=CC3)n2)c(C)c1"]
["88864762","Oc1ccc2c(c1)C(Cc1ccccc1Cl)NCC2"]
["162110615","CCOc1c(O)ccc2c1C(=O)CC2"]
["MCULE-4431822944","CCOc1cccc(C2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2C2CCCC2)c1"]
["160941320","OC(=NC1CCC2CNCC2C1)Nc1cccc2ccsc12"]
["134257545","CC(NCC(O)=NC(C1CC1)C1CC1)c1cccc(Cl)c1Cl"]
["19760844","CCN1CCN(CCC[NH+]=c2[nH]nc(-c3nc(C4CC4)no3)c3ccccc23)CC1"]
["165212194","COc1cc2c(cc1CCC(=O)N1CCOCCOc3ccc(-c4c(C)noc4C)cc3Cc3cccc(c3)C1)CCC2"]
["174063255","[B+]C1(c2cc3cc(C4([B+])CCCCC4)c4[b-](-c5c(F)c(F)c(F)c(F)c5F)c5[cH-]cc(CCC(F)(F)F)cc-5n5c(=O)n6c(c2B(C2=C(F)C(F)=C(F)C2F)C2=[C-]CC(CCC(F)(F)F)=[C+]C26)c3c4-5)CCCCC1"]
["515502","O=C(O)[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1cccc(F)c1"]
["51726364","Cc1cc(F)cc(C[C@H]2CCCCC/C=C\\[C@H]3C[C@@]3(C(O)=NS(=O)(=O)C3(C)CC3)CC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5n4CC(F)(F)F)CN3C2=O)c1"]
["194177150","CC1N=C(O)[C@H](CC2=CCc3ccc(F)cc32)N=C(O)[C@H](Cc2c[nH]c3ccc(F)cc23)N=C(O)[C@@H](C)N=C(O)[C@H](CCCCN)N=C(O)CCSCc2cccc(c2)CSC[C@@H](C(=N)O)CC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N=C(O)c2cnc1s2"]
["194660151","CC(C)(C)[C@@H]1N=C(O)O[C@@H]2C[C@@H]3C#C[C@@H]3[C@H]2CCCCCn2c(nc3cc(Cl)ccc3c2=O)O[C@@H]2C[C@@H](C(O)=N[C@]3(C(O)=NS(=O)(=O)C4CC4)C[C@H]3C(F)F)N(C2)C1=O"]
["111007865","Cc1sc(C=O)cc1C1OCCc2ccc(C(F)(F)F)cc21"]
["179740770","[NH2+]=CC=NNCC1=CCC(N=c2[nH]n(C3CC34CCCCC4)c3ccnc(O)c23)C=C1"]
["186374182","Cc1nc2c(s1)CN(C(=O)[C@H]1CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C1)C2"]
["153111762","COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21"]
["192385094","C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC1=CCc3ccc(F)cc31)N=C(O)[C@H](Cc1c[nH]c3ccc(F)cc13)N=C(O)CN=C(O)[C@H](CN)N=C(O)CCSCc1cccc(c1)CSC[C@@H](C(=N)O)CC2=O"]
["30664968","O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12C=C1CCOC13C=CCCC3O2"]
["194179799","O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(Cl)c(CC3CCc4cc(CCC(F)(F)F)cnc43)nc2[nH]1"]
["178603679","CC1CC[C@H]2C(COCCSCC3=C(C(F)(F)F)O[C@@H]4O[C@@H](C)CCC5[N-]CCC3C54)=C(C(F)(F)F)OC3OC4(C)CCC1C32OO4"]
["90563982","CCOC1OC2OC3(C)CCC4(O)C(C)CCC(C1C)C24OO3"]
["81995337","C[C@H]1[C@@H](C[C@H](OC(=O)Nc2ccc(F)cc2)C2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)C35OO4)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1C24OO3"]
["1107097","C[C@@H]1CCC2[C@@H](C)[C@@H](OCCN3CCOCC3)O[C@@H]3O[C@@]4(C)CCC1[C@@]23OO4.O=C(O)/C=C\\C(=O)O"]
["57550758","CC1CCC2C(C)C(=O)N(c3ccccc3F)C3OC4(C)CCC1[C@@]23OO4"]
["189760267","C[C@@H]1CC[C@H]2[C@@H](C)C(OC/C=C\\COC3O[C@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4"]
["184154543","CC1=C(c2cc3ccccc3o2)O[C@@]2(C)OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3"]
["196556807","C[C@H]1[C@@H](OCCCCCN2C=CN(C)C2)O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]
["83149753","CC1CCC2C(C)C(CCC=O)OC3OC4(C)CCC1C32OO4"]
["151539346","C=C1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3"]
["153967355","C[C@H]1[C@@H](OC[C@]2(C)O[C@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@]35OO4)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3"]
["33912491","C[C@H]1[C@@H](CCOC(=O)c2ccc(C(=O)OCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]
["171023406","C=C=C1C=CC=C(OB(Oc2cccc(C=C)c2[NH+](c2ccccc2)c2ccc(C)cc2)Oc2c(F)c(F)c(F)c(F)c2F)[CH-]1.FC1=C=C(F)C(F)C(F)=C1F"]
["100303449","C=Cc1cccc2c1C1(C(O)=N2)C(c2cc(OC)c(OC)c(OC)c2)NC(C(=O)OCC)C1c1ccccc1"]
["168180672","CCOc1cccc(/C=N/NC(=O)C(O)=Nc2ccc(C)cc2)c1O"]
["12631840","COc1cccc(/C=C(\\C#N)C(=O)Nc2ccc(F)cc2)c1OCc1ccc(Br)cc1"]
["MCULE-3000239898","C=Cc1ccccc1-c1c(C(F)(F)F)ccnc1OC"]
["64253849","COc1cccc(C=c2sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c1OC"]
["7028503","C[C@H]1CC[C@H](C(=N)O)CN1C(=O)/C=C/c1ccccc1OC(F)(F)F"]
["3664727","Cc1ccc(CN=C(O)NN=C(O)COc2ccccc2F)cc1"]
["20595215","COc1ccc(C)cc1N=C(O)CN=C(O)CN(C)Cc1c(F)cccc1Cl"]
["57275654","C=Cc1ccccc1OC(CC)CCC"]
["91341421","C=Cc1ccccc1OC(=O)C(=C)F"]
["MCULE-9133877283","COc1ccccc1C1=C(NC2CCCCCCCCCCC2)C(=O)N(Cc2ccc(C)cc2)C1=O"]
["180202255","N#CC1=CC2=C3C=CC4=CN3C3C=C(c5ccccc54)C45C6=CC(=[F+])C(C#N)=CC6=C6C=CC7=CN6C46C=C(c4ccccc47)C(C4=CC(=[I+])C(C#N)=CC4=C4C=Cc7cn4n4cc(c8ccccc78)C(C4)C2=CC1=[F+])C356"]
["174019011","CC(C)(O)C(C)(C)O[B]c1ccc2c(c1)OC1C=CC=CC1C21c2ccccc2-c2c1cc(C#N)c1ccccc21"]
["180867325","C=CC1(C)[Cl+]/C=C/C2C(C[Cl+]C1(C)CCc1cc3c(cc1C1=CC=C4[N-]C=CN=C4N1C)sc1ccccc13)c1cc3c4c(sc3cc1C1=CC=C3[N-]C=CN=C3N12)CC(C)C=C4"]
["163917102","CCc1ccc(-c2cn([C@H]3C[C@H]4C(O)=N[C@@H](Cc5csc6ccccc56)C(O)=N[C@H](C(=N)O)CCCCN=C(O)C[C@H](N)C(O)=N[C@@H](CCN)C(O)=N[C@@H](C5CCCCC5)C(=O)N4C3)nn2)cc1"]
["187287258","N#Cc1cncc(COc2cc(O[C@H]3CCc4c(-c5cccc(OCCCN6CC7(CC(O)C7)C6)c5Cl)cccc43)c(Cl)cc2CC2CCCC3(C2)N=C(O)N=C3O)c1"]
["MCULE-7765445585","N#Cc1ccc(N=C(O)C2CC(=O)N(Cc3ccccc3)C2)c(-c2cccs2)c1"]
["MCULE-7418047154","N#Cc1c(F)cccc1-c1ccncc1N=C(O)C1CC(=O)N(Cc2ccccc2)C1"]
["27626129","COc1cccc2c(-c3nc(C(C)N4CCCC4)cs3)cn(CC3CCCCC3)c12"]
["189020888","C=C(F)C(=O)N1CCN(C2=C(C#N)C(OCC34CCCN3CCC4)=NC3C=C(c4cccc5c4CCCC5)C(Cl)=CC23)C[C@@H]1CC#N"]
["MCULE-3565295598","COc1ccc(-c2ccccc2C(F)(F)F)cc1N=C(O)C1COCC(=O)N1Cc1ccccc1"]
["27702047","N#Cc1ccccc1-c1oc(Br)c2cc(CN3C(=O)c4ccccc4C3=O)ccc12"]
["1506540","Cc1ccc(N=C(O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c(Br)c1"]
["167429436","C1=C2Cc3c4c5c6c7c3c1cc1cc3c8c9c%10c%11c%12c%13c%14cc%15c(c%13c6c%11c8c17)C5C(CC=4)C(C=%15)CC1C=c4c5c6c7c8c4=CC=C4C(C=C%11C=C%13C=C%15C=C%16CC(C=3)C=9CC=C%10CC%12C(=C%14)C3=C9C=C%10C=C(C=C5C1)C6C1C5=C7C(C%11C48)C%13C4C5=C5C6=C(CCC%16C6C%154)C(=C9C5C%101)CC3)C2"]
["CNP0444603.1","C/C(CO)=C1\\C[C@H]2c3ccc4c5c3[C@H]3C[C@@H]6[C@H]7C8=Cc9ccccc9[C@@H]7C[C@@H]6[C@]6(CC#CC5)Oc5ccc7c(CO)c([C@H](CCO)COCO)c(=O)oc7c5[C@@H](OC(=O)C[C@@H]5C[C@@H](C=C[C@@H]45)c4cccc5c4CC[C@@H]4CCC[C@@H]7C=Cc9ccc(cc9[C@@]547)Cc4ccc(cc4)C4(CCC[C@H]4C#C8)[C@@H]2C3)[C@@H]6OC1=O"]
["176406003","CC(C)(C1CCN(c2c(F)cc(NC3CCC(O)=NC3=O)cc2F)CC1)N1CCN(C(=O)COC(=O)N2CCN(c3cnc(-c4c(-c5nn(C(C)(C)C)c6ncnc(N)c56)noc4C4CC4)nc3)CC2)CC1"]
["195058543","CC(CO)=C1CC2c3ccc4c5c3C3CC6C7C8=Cc9ccccc9C7CC6C6(CC#CC5)Oc5ccc7c(CO)c(C(CCO)COCO)c(=O)oc7c5C(OC(=O)CC5CC(C=CC45)c4cccc5c4CCC4CCCC7C=Cc9ccc(cc9C574)Cc4ccc(cc4)C4(CCCC4C#C8)C2C3)C6OC1=O"]
["176405681","CC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ncc(N3CCN(C(=O)OCC(=O)N4CCC(CN5CCN(c6c(F)cc(N[C@@H]7CCC(O)=NC7=O)cc6F)CC5)CC4)CC3)cn2)c2c(N)ncnc21"]
["176405524","CC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ncc(C3CCN(C(=O)CCCCCCCN4CCN(c5c(F)cc(N[C@@H]6CCC(O)=NC6=O)cc5F)CC4)CC3)cn2)c2c(N)ncnc21"]
["195058503","CC(CO)=C1C[C@@H]2c3ccc4cc3[C@H]3C[C@H]2[C@@]25CCC[C@H]2C#CC2=Cc6ccccc6[C@H]6C[C@H]7[C@@](C=CC[C@]78Oc7ccc9c(CO)c([C@H](CCO)COCO)c(=O)oc9c7[C@@H](OC(=O)C[C@@H]7C[C@H](C=C[C@H]47)c4cccc7c4CC[C@@H]4CCC[C@@H]9C=Cc%10ccc(cc%10[C@]749)Cc4ccc5cc4)[C@@H]8OC1=O)(C3)[C@@H]26"]
["168509091","C1=CC2=NC1=CC1=NC(=c3cc4c5c6c7c8c(cc9cc%10c%11c%12c%13c%14c(cc%15cc(c%16c5c8c9c%11c%16c%15%13)C4)=C4CCC(=N4)C=C4C=CC(=CC5=NC(=C(C=%10)C%12N=%14)CC5)[NH2+]4)C=C(C4=NC(=C2)CC4)C7N=c36)CC1"]
["150009580","CC(C)(C)C1C=c2ccc3ccc(-c4ccc5c(c4)CCC(C4=CC=C6C=CCCC6C4)=C5)c4c3c2C(CC=4)C1"]
["195061918","C/C(CO)=C1\\C[C@@H]2c3ccc4cc3[C@@H]3C[C@H]2Cc2ccc(cc2)Cc2ccc5c(c2)[C@]26c7cccc(c7CC[C@H]2CCC[C@@H]6C=C5)[C@H]2C=C[C@H]4[C@@H](CC(=O)O[C@@H]4c5c(ccc6c(CO)c([C@H](CCO)COCO)c(=O)oc56)O[C@@](C)([C@H]5C[C@@H]6c7ccccc7C=C[C@@H]6[C@@H]5C3)[C@H]4OC1=O)C2"]
["176406128","CC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ncc(C3CCN(C(=O)OCC(=O)N4CCN(CC5(F)CCN(c6c(F)cc(NC7CCC(O)=NC7=O)cc6F)CC5)CC4)CC3)cn2)c2c(N)ncnc21"]
["176405369","CC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ncc(C3CCN(C(=O)CCCCCCCN4CCN(c5c(F)cc(N[C@H]6CCC(O)=NC6=O)cc5F)CC4)CC3)cn2)c2c(N)ncnc21"]
["50752799","FC(F)(F)Oc1ccc(/N=C/C=C[NH2+]c2ccc(OC(F)(F)F)cc2)cc1"]
["33409155","COc1ccc(/C=C/c2ccccc2N=C(O)Nc2ccc(OC(F)(F)F)cc2)cc1"]
["159319341","COc1c(CCl)ccc(OC(F)(F)F)c1C"]
["67673553","COc1ccccc1COc1ccc(N=CNO)cc1"]
["177189050","COc1cc2[nH]c(=N)nc(-c3ccc(OC(F)(F)F)cc3)c2cc1OC"]
["175421678","C=CCC1(C(=O)OCC)CCC(NS(=O)(=O)c2ccc(N=C/C=C\\N)cc2)CC1"]
["68503236","Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc(OC(F)(F)F)cc4)c(=O)c32)c(C)c1"]
["91193668","CCOc1ccc(N=CC=Cc2ccco2)cc1"]
["183114448","[N-]=[N+]=Nc1cn(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(-c2ccccc2C(F)(F)F)n1"]
["175042036","CC(C)(C#N)C1CCc2cc(-n3ccnc(Sc4ccc(OC(F)(F)F)cc4)c3=O)ccc2C1"]
["65950850","Cc1ccc(N=Cc2ccc(OCc3cc(=O)oc4cc(C)ccc34)cc2)cc1"]
["162081110","NC1COc2c1ccc(OC(F)(F)F)c2Cl"]
["192400931","CN(C(=O)C(C)(N(C)C(=O)C1(C)OC1(C)C(=O)OC(C)(C)C(C)(C)C)C(C)(C)C(C)(C(C)(C)C)C(C)(C)C)C(C)(C)C(C)(C)C(C)(C(C)(C)C)C(C)(C)C.COC(=O)C1(C)OC1(C)C(=O)N(C)C(C)(C(=O)N(C)C(C)(C)C(C)(C)C(C)(C(C)(C)C)C(C)(C)C)C(C)(C)C(C)(C(C)(C)C)C(C)(C)C"]
["101722448","CC1(C)OC2COC3(CNC(CC(=N)O)C(=O)O)OC(C)(C)OC3C2O1"]
["197250995","CN(C(=O)C1(N=C(O)OCC2c3ccccc3-c3ccccc32)CCCC1)C(C)(C)C(=O)O"]
["113719437","CC1(C(=O)N(CC(=O)O)CC(=O)O)CCCCC1"]
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["73590021","[CH2-][n+]1ccc(C(C)C)cc1"]
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["150243399","O=[n+]1cc[nH]c2c1CCCC2"]
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["199847612","[CH2-][n+]1cc[n-]c1.[Co].[Co]"]
["75386088","CC[n+]1ccc(C2=CC(=C3C=CN(CCC=O)C=C3)[S+]=N2)cc1"]
["161839808","[Br-].[CH2-]C=O.[Zn+2]"]
["173147086","O=C[C-]1C=C=C(O)C=N1.[Y]"]
["73637845","[CH2-][n+]1ccc(CS([O])(=O)=[OH+])cc1"]
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["80081356","O=C(O)C=CC(=O)N=C[O-]"]
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["178724891","N=CC=CNC(=N)N"]
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["149871463","B#SC=CC=N"]
["180790282","C[C-]=CI.C[ClH+].[Re]"]
["161496763","CC(C)/C(C=N)=N/C=C\\I"]
["99752823","N=C/C=C(\\N)I"]
["170560090","CC1=CC(=NC#N)C=CC1=N[N-]c1ccc([N-]C#N)cc1C.c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]
["149112447","Cc1ccccc1N=Nc1ccc(NC2=NC(=S)SC2)c(C)c1"]
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["51736634","CN1C(=O)N(C)C2C1N(C)C(=[O+]C1=[N+](C)C3C(N(C)C(=O)N3C)N1C)N2C"]
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["4088032","Cc1cccc2c(C[C@H](C)N=C(O)CN3C(O)=N[C@@H]4[C@H]3N(C)C(=O)N4C)c[nH]c12"]
["55723906","CN1OS(=O)N(c2cc(F)ccc2F)C1=O"]
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["60752897","Cn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O"]
["46087542","CN1C(=O)CN=C(O)C1C1CC1"]
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["156586608","CC[C@H]1N[C@](C)(CC)C(=O)N1C"]
["110974645","CCOC1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C"]
["98251323","C[N+](C)(C/C=C/CCl)C/C=C/C[N+](C)(C)C/C=C/CCl.C[N+](C)(C/C=C/CN(CCO)C(CO)CCO)C/C=C/C[N+](C)(C)C/C=C/C[N+](CCO)(CCO)CCO.OCCN(CCO)CCO"]
["105146766","CCN(CCO)[C@H](C)CN=C(O)CCl"]
["172774784","CCCCCCC(CCCCCC)CCOC(=O)OCCCCCCN(CCO)CCCCCCCC(=O)O"]
["175551772","CCCCCCCCCCC(CCCCCCCC)COC(=O)C(C)SC(CCCCCCC)C(OC(=O)CCCN(CCO)CC(O)CCCCCCCC)C(=O)OCCC"]
["184565264","CCN(C/C=C\\C(=C/C(C)C(O)=NC1=C/C=C(\\C)CC(O)N=C/C=C\\1)C(C)=O)CCO"]
["79540204","CCC(OC)N(CCO)CCO"]
["161504187","CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(O)OC(CC)CC"]
["169372709","COCC(=O)N(CCCO)C(C)CCBr"]
["43033208","CCC(CC)N(CCO)c1cc(Cl)ccc1C(=N)S"]
["161802636","O=C([SeH])Cc1ccccc1.OCCN(CCO)CCO"]
["172145959","CCC[N+](C)(C)CC(O)CN(CCN(CC(O)C[N+](C)(C)CCC)CC(O)C[N+](C)(C)CCC)CCN(CC(O)C[N+](C)(C)CCC)CC(O)C[N+](C)(C)CCC"]
["114377798","CC(c1ccccc1)N(CCO)CC(F)F"]
["78527971","O1OPPPO1"]
["161708507","[O-][C-]1O[Br+]O1"]
["170538189","C[N+]1(C)O[Si-]1(F)(F)F"]
["100288070","C1OOP1"]
["175898254","O1OOPOO1"]
["161681841","C1CPOOO1"]
["173111047","C1COPOPO1"]
["79288442","C1=CPOO1"]
["149909117","CC1(C)O[B]O[N+]1(C)C"]
["48177181","O=[N+]1OOOO1"]
["70356415","C1=CC2(C=CCO2)C(C2OCC=CC23C=CCO3)OC1"]
["96864923","C1=C[C@]2(C=CCO2)[C@@H]([C@H]2OCC=C[C@]23C=CCO3)OC1"]
["170528746","[2H]/C(=C1/C(=C(\\[2H])c2c([2H])c(C#N)c([2H])c([N+]#[C-])c2C#N)/C(=C(\\[2H])c2c([2H])c([N+]#[C-])c([2H])c([N+]#[C-])c2[2H])/C1=C(\\[2H])c1c([2H])c(C#N)c([2H])c([N+]#[C-])c1[2H])c1c([2H])c(C#N)c([2H])c(C#N)c1[2H]"]
["51033327","[2H]c1c([2H])c(OC[C@](C)(O)C(O)=Nc2ccc([N+]#[C-])c(Cl)c2)c([2H])c([2H])c1C#N"]
["MCULE-5388756006","CCc1cn2nc(SC)c(C#N)c2[nH]1"]
["62471165","[C-]#[N+]C1=CC(=C2Sc3c(OC)c4c(c(OC)c3S2)SC(=C2C=C(C#N)C(O)=NC2=O)S4)C(O)=NC1=O"]
["175883646","C=Cc1cc(C2CC(C=[N+](c3ccccc3)c3ccc(C#N)cc3)=C(/C=C\\C)C=C2SC)ccc1/C=C\\c1ccccc1"]
["191790428","[C-]#[N+]c1ccc2c(c[n+]3n2-c2ccc(C)cc2C3)c1C#N"]
["172120636","[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cc(-c2ccncc2)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1C#N"]
["184835229","[C-]#[N+]c1ccc2c(c1)nc1n2c2cccc3c2n1c1nc2cc(C#N)ccc2n31"]
["184534247","N#Cc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2C#N)c(Br)c1"]
["177086438","[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7cc(C#N)cc([N+]#[C-])c7)ccc6c6ccc(-c7cc(C#N)cc([N+]#[C-])c7)cc65)c4-c4c([N+]#[C-])cccc4C(F)(F)F)c3c2)c1"]
["193995116","[2H]C.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21"]
["196702177","CCc1ccc2cc(C=O)sc2c1.[C-]#[N+]/C(=C\\c1cc2ccc(CC)cc2s1)c1ccc(C#N)cc1.[C-]#[N+]c1ccc(CC#N)cc1"]
["192158179","C/C(=C/C(C)(C)C)N=CC(C)(C)C.C/C(=C/N=CC(C)(C)C)C(C)(C)C.C/C(N=CC(C)(C)C)=C(\\C)C(C)(C)C"]
["179015806","CC(=N)S/C=C(\\C)C(C)(C)C"]
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["84522091","CC(=CC(C)(C)C)CBr"]
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["179656410","CN=C([O-])C(C)(C)C.[CH3-].[U+2]"]
["62328047","CN(C)/N=C\\C(C)(C)C"]
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["101745600","CC(C)O/N=C/C(C)(C)C"]
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["571157","C[C@]12CC/C(=N\\OCCN)C[C@@H]1[C@@H](N=CO)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=C(O)/C=C/C(=O)O"]
["148679443","C#CC(F)(F)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(c5ccc(C(=C)C)cc5)C(=O)CCC4=C3CC[C@@]21C"]
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["76297226","C=C1CC2(C)C(=C(N)C1=O)CCC1C3CCC(=O)C3(C)CCC12"]
["158187800","OC1(C(F)(F)F)CCC(N[C@H]2CC3CCC2CC3)CC1"]
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["175795771","C1=C2CC/C(=C/C3CCC(/C=C4/CCC(/C=C5/CCC1[N-]5)[N-]4)[N-]3)[N-]2.[Fe+4]"]
["189890319","[2H]C([2H])(C)/C=C\\C([2H])([2H])/C=C\\C([2H])([2H])/C=C\\C([2H])([2H])/C=C\\C=C\\C(O)C([2H])([2H])/C=C\\CC(C)(C)C(=O)O"]
["167267017","CCCCC/C=C/C/C=C\\C/C=C/C=C/CCC(C)(C)C(=O)O"]
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["51091788","CCNC(C)(CCCSC(C)CC)C(=O)O"]
["78266359","CCC/C=C/C(O)CC(C)(C)C"]
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["78983715","C/C=C\\CC/C=C\\C=C\\C(O)=NC(C)CC"]
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["175339803","CCC(C)(C(=O)Cl)C(F)F.CCC(C)(C(=O)O)C(F)F"]
["90971761","N[P-]C([Si])=[Si+]"]
["78989610","CCCO.NCCCCCO"]
["78864460","NNCCCCCCO"]
["183509924","[N-]=[N+]=CNN"]
["99818051","C/C(N=CI)=N/N"]
["175591031","N[SiH3].OCCCCO"]
["99534634","N/C=C/C(O)=[Si+]"]
["99491775","CCOCC.OC([Si])=[Si+]"]
["79191646","NP(O)O.OCCCO"]
["42601247","CCSCCCCCO"]
["168519498","F[As+](F)(F)C([Si])=[Si-]"]
["79260555","NCCCCCCCCCCCCCCCCCCCCCCCCCCCCO"]
["179284068","S=c1nc2c(Br)c3[nH]snc3c(Br)c2s1"]
["156010448","CSc1nc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)n1"]
["113373922","CCc1ccc(-c2nc(=S)c(Br)c(COC)[nH]2)cc1"]
["115293383","CC1(C)CC(=O)c2sc(-c3ccc(Br)c(Br)c3)nc2C1"]
["62727927","Cc1nc(C2(N)CCC(C)C2)sc1C"]
["170743392","CCc1c(Br)cnc2nc(SC)sc12"]
["191980","Sc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1"]
["185897867","OCC(Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Br)NC(F)(F)F"]
["155226188","CN(C)S(=O)(=O)c1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12"]
["43200898","COc1nc(=S)s[nH]1"]
["169928274","CCOCc1nc2cnc3ccc(C)c(Br)c3c2s1"]
["191898416","Cc1nc(=S)s[nH]1.c1ncsn1"]
["180926573","NI1=IC[C-](I)I=1"]
["32186301","Br[C@@H]1[C@H](Br)[C@@H]2C[C@H]1c1nccnc12"]
["176389041","CN(N)C[C-]1CCCC1.[Na+]"]
["195582309","NN=C(O)C=C(Cl)C(O)=NN"]
["79251164","II1CP1"]
["28936497","NC1N=C(O)N(CC2OCCO2)C=C1I"]
["179130778","NI1CCNC1"]
["179997963","N[C-]1[I]CC[I][C-]1I"]
["178401862","N=C(Cl)CCC(O)=I1=IC1"]
["90724216","BrC1C2CC(c3nccnc32)C1Br"]
["MCULE-3530176249","NC[C@H]1C[C@H](SC(F)F)C1"]
["179810471","NC1CC(N)C(I)CC1I"]
["100975615","[XeH]C#CCCC(C#C[XeH])CC(C#C[XeH])CCC#C[XeH]"]
["156500879","CC#CCCC[C@H](C)Cl"]
["100959721","CC#CCS(=O)(=O)CC#CCCC(C)Br"]
["111810863","CC#CCCC(O)C(O)(CC)CC"]
["183882869","N#CC(CCC#CN=[N+]=[N-])Sc1ccccc1"]
["61058378","NCC#CCNc1ccccc1"]
["63704782","CC#CC(O)C(CC(OC)OC)c1ccccc1"]
["78508933","CC#CCCC(C)N=[N+]=[N-]"]
["111673826","CC#CCCC(N)C(C(F)(F)F)C(F)(F)F"]
["95600218","CC#CCCC(NCC)c1sccc1OC"]
["100908809","CCCCCCC#CC(C)CC(C)C"]
["92419551","CC#CCCC(O)Cc1ccsc1"]
["65014654","O=Pc1ccc2cc(-c3ccc(OP)cc3)c[o+]c2c1"]
["MCULE-3599770015","COc1ccc(C(=O)N2CCN(C(=O)c3cccc(-c4ccc(C(=O)N(C)OC)cc4)c3)CC2)cc1"]
["75767013","COc1ccc2nc(-c3ccc(/C=C/c4cccc(N=O)c4)cc3)sc2c1"]
["53614991","C=C(F)C(=O)Oc1ccc(OCOc2ccc(-c3ccc(OCOc4cc(-c5c(OCOc6ccc(-c7ccc(OCOc8ccc(OC(=O)C(=C)F)cc8)cc7)cc6)ccc6cc(C)ccc56)c5ccc(C)cc5c4)cc3)cc2)cc1"]
["14372667","CC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1"]
["17138833","COc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)cc1OC"]
["MCULE-9211780121","N#Cc1cc(=NCCOc2ccc(-c3ccccc3)cc2)cc[nH]1"]
["MCULE-1600331249","COc1ccc2cc(-c3ccc4nc(N=C(O)C5CCN(S(C)(=O)=O)CC5)nn4c3)ccc2c1"]
["MCULE-1021710200","COc1ccc(C(=O)Nc2ccc(-c3ccc4cc(OC)ccc4c3)c(C#N)c2)c(F)c1"]
["101399051","c1ccc(OOc2ccc(-c3ccc(OOc4ccccc4)cc3)cc2)cc1"]
["171206225","CCCCCCCOc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1"]
["173594141","Oc1cc(Br)cc(-c2ccc3ccc(O)cc3c2)c1"]
["99378639","C[Si-]=[O+][Si]([O+]=[Si-]C)C(C=[Si]([O+]=[Si-]C)[O+]=[Si-]C)=[Si]([O+]=[Si-]C)[O+]=[Si-]C"]
["99620563","C[Si](O)[O+]=[Si-]O"]
["158360347","C/C(=C/[C@H](C)C1CCCCC1)[C@H](C)Br"]
["130496686","CC(O)CN=C(O)C(C)c1ccc(Br)s1"]
["99782497","C[Si-]=[O+]SC"]
["172342859","C[Si-]=[O+][Si](O[Si](C)(C)C)[O+]=[Si-]"]
["100250439","C[CH+]C=[Si-][O+]=[Si-]C"]
["172139643","CCC(C)N(C(C)CC)[Si](C)[O+]=[Si-]C"]
["172595410","CC(CBr)O[Si-]=[O+]C(C)CBr"]
["43461302","CC(O)=Nc1nc(C(O)=NC2CCN3CCCCC23)cs1"]
["162842954","O=Cc1c(Br)ccc2c(CBr)csc12"]
["62292446","C[Si-]=[O+]C([O+]=[Si-]C)=C([O+]=[Si-]C)[Si](C([O+]=[Si-]C)=C([O+]=[Si-]C)[O+]=[Si-]C)C([O+]=[Si-]C)=C([O+]=[Si-]C)[O+]=[Si-]C"]
["78432250","C=C[CH-]CP(I)BC[CH-][CH-][CH2-].[Ca+2].[Ca+2]"]
["180810471","C=CC(C)CC(C)(CCC)N(C)CI"]
["79423655","C=CC[CH-][CH2-].[Na+].[Na+]"]
["78975949","C=CCC[CH-][CH2-].[Li+].[Li+]"]
["81421091","C=CC[Si-]=C[CH+]I"]
["26663103","C=CC[SiH](C=C)CC=C"]
["178504719","[CH2-][CH-]CCCC(C)(CC)[Br+]C"]
["79365932","C=CN(C=CBCl)[SiH](Cl)C=C"]
["74825122","C=C/C=C(/I)c1c(Cl)[nH][nH]c1=N"]
["78734029","C=CCBP(I)CC=C"]
["159779118","C=CC(=C)[Si](C)(C)C=CCC"]
["79013633","O=[PH](O)C[CH-]C=[PH-](=O)O.[Ca+2]"]
["179164244","COC1N(C)C(C)C2C(N1C)N(CC1C(C)CC(OCCCN(C)C)CC1F)[C@H](C1CC(F)CN(C)C1)N2C"]
["53610850","O=C(O)CCCOC1C[C@H]2C[C@@H](O)[C@H](C=CCO)[C@@H]2C1"]
["187700491","COC1CC(CN2CC(C)N(CC3CCN(C)CC3)C(C)C2)C1"]
["184549673","CC(O)SCC(=O)C1=CC=C(NS(=O)(=O)c2ccc(OCCCN(C)C)nc2)CC=C1"]
["80589253","COC(=O)C1(C)CC(C(=O)N(C)Cc2[nH]c(C)c[nH+]2)C(c2ccccc2C)N1C"]
["2127730","CN(C)CCN(Cc1cccc(F)c1)C(O)=[NH+]CCCOC1CCCC1"]
["188813165","C=C[C@H]1CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)C[C@](C)(OC)C1"]
["110954557","CCOC(=O)N(CCCOC1CCS(=O)(=O)C1)C1CCS(=O)(=O)C1"]
["138726365","COc1cc(C)c(C(=O)N2CCC(OCCC(C)C)CC2)cc1OC"]
["134759016","CN(C)CCCOC1CCN(C(=O)C(C)(C)C2CCCC2)CC1"]
["MCULE-4787398432","CC1CC(C)CN(Cc2cc(=O)c(OCc3c(Cl)cccc3Cl)cn2CCCN(C)C)C1"]
["52017395","CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(OCCCN(C)C)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)/C(=N\\OCC2CCCO2)[C@H](C)[C@@H](O)[C@]1(C)O"]
["99751262","CO[B+]NCC[N+](C)(CC[B]OC[NH3+])CCC[C@H](N[B+]OC)[C-]([O-])[O-]"]
["194003134","CCCC[N+](C)(CCCC)CCCC.FC(F)F.FC(F)F"]
["174726200","CCCNCCC(C)[SiH](OCCC)OCCC"]
["111853398","CCCNCC(Cl)C(=O)OC"]
["52295289","CCCNCCCCS(=O)(=O)N(CCOC)C(CC)CC"]
["94920830","CCCNCCC(C)CCOC"]
["154888433","CCCC[N+](C)(CCCC)CC(O)C[N+](C)(CCCC)CCCC.I.I"]
["161811781","C[C-]([O-])OC(C)CCC[Cl+]Cl"]
["137276260","CCC1CN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CCS1"]
["171020867","CC(C)CCCCCCCCCCCCCCCOCC(O)C[N+](C)(C)NCCO.[I-]"]
["166669610","CCCNCCC[N+](C)(C)CC"]
["78988586","CCCC[N+](C)(CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]"]
["57999931","C1=NC=NCN=CNCNCNC=NCN1"]
["26569483","O=C(O)C1=CN=CNC1"]
["64850164","C1NCNC2(N1)OCCS2"]
["173343264","C1=NCPCN1"]
["51826583","ClC(Cl)(Cl)[N+]1(C(Cl)(Cl)Cl)C=NC=NC1"]
["161673887","C1=NC=C2NCNCC2N1.Cl"]
["180311028","C1=NCN=IN1"]
["157789897","C1=NCCN1.O=C(O)N[C@@H](CS)C(=O)O"]
["173036001","O=[N+]([O-])C1=c2ccc3nc2=C2N=C(C=CC2C1)CNCCNCCNC3"]
["74050917","C1=NCCN1.N=C(S)S"]
["172565327","Br.Br.C1=NCCN1"]
["185733334","BrC1(Br)C=NC=NC1"]
["83680853","CC12CN3CC(C[NH+](C3)C1)C2=N[NH+]=C1C2C[NH+]3C[NH+](C2)CC1(C)C3"]
["92595308","Cc1cc(F)cc(C2(C)CCC(N)C2)c1"]
["170834210","C[C@@H](N=C1C2CCN(C2)C1(C)C)c1ccccc1"]
["151335846","CC(C)CC[C@H](C)N=C(O)[C@@H]1CS[C@]2(C)CCC(=O)N12"]
["21172461","C[C@@]12CN3CC[NH+](C[C@@H](C3)/C1=N/N=C/c1cccc([N+](=O)[O-])c1)C2"]
["19520449","CCCC[C@@]12CN3CC[NH+](C[C@@](C)(C3)C1=O)C2"]
["83326164","COc1ccccc1N=C(S)N(Cc1ccco1)CC1CC2CCC(OC)CC2N=C1O"]
["103921722","SC(=Nc1ccccc1)N/N=C1/C2CN3CCN(C2)CC1(Cc1ccccc1)C3"]
["47839010","CCCCC12CN3CCN(CC(C3)C1=NN=C1C3CN4CCN(C3)CC1(CCCC)C4)C2"]
["4470792","C[C@]12CN3CCN(C[C@H](C3)/C1=N\\N=C(S)Nc1ccc(Br)cc1)C2"]
["83614943","[NH3+]N=C1C2CN3CC[NH+](C2)CC1(Cc1ccccc1)C3"]
["11544303","CCCC[C@]12CN3CCN(C[C@H](C3)/C1=N\\NC(S)=NC(C)C)C2"]
["185154582","C1C2c3c4c5c6c(c32)C12CC1(C4)C(=C62)C51"]
["57172765","COc1cccc2c1CCCC21CC2C=CC1C2"]
["159216726","Brc1nnc([C@]23COC[C@H]2C3)o1"]
["162056940","COC1CCCc2c(F)ccc(F)c21"]
["97020717","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)C[C@@H]3OC"]
["106073600","CN[C@@H]1CC(C)(C)CCc2c(OC)ccc(OC)c21"]
["154034157","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/N=C(O)c1ccc(Cl)c(Cl)c1)C[C@@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"]
["54772719","COc1cccc2c1CC1(CC2=O)CC2C=CC1C2"]
["156371607","CC12C[C@H](O)C3C(CCC4N=C(O)CCC43C)C1CCC2N"]
["18007883","CC1(C)CC(=O)C2=C(C1)N=C(O)C[C@H]2c1cccc(O)c1"]
["103008758","ClC12CC3=C(CC1(Cl)C2)C1CCC3C2=C1CC1(Cl)CC1(Cl)C2"]
["77876966","COc1ccc(CN2C(=O)C3c4cccc(C)c4C2CC3(C)O)cc1"]
["167219638","CC1=C[P-]C(=c2[p-]c(=C3P=C(c4cc(C)c(C)cp4)C(C)=C3C)c(C)c2C)C=C1C.[Na+].[Na+]"]
["84186510","CCOP(OCC)c1cc(C)c(C)cp1"]
["14716104","CCOC(=O)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)C1"]
["34404757","Cc1cpc(Br)cc1C"]
["1557831","Cc1ccc(F)c(N=C(S)Nc2ccc3c(c2)CCC3)c1"]
["173309679","COc1cc2c(cc1C)CC(=O)C=C2C"]
["9299740","Cc1ccc(F)c(N=C(O)[C@@H]2COc3ccccc3C2)c1"]
["174458862","CC1=CC(F)=C(C(F)(F)Oc2cc(F)c(C)c(F)c2)CC(F)=C1"]
["101194575","Cc1cc2c(cc1C)Cc1cc3cc4cc(O)ccc4cc3cc1C2"]
["16112158","COc1cccc(CCC(O)=Nc2cc(C)ccc2F)c1OC"]
["79874376","Cc1cc(C)c(B(c2ccc(B3c4c(C)cc(C)cc4Cc4cc(C)cc(C)c43)cc2)c2c(C)cc(C)cc2C)c(C)c1"]
["195743539","CC1=CC2=Cc3cc(C)c(C)cc3CC2(C)C=C1C"]
["174070349","O=c1n2c3c(c4c2n2c5c(c6c(n15)C1CC5CC7CC6CC75C1)B1OC5=C(c6cc7c(c-2c61)B4OC1=C7C2CC4CC6CC1CC64C2)C1CC2CC4CC5CC42C1)C1CC2CC4CC3CC24C1"]
["62176842","CCCC(C)N1CC=C[C@]23O[C@]4(CC)C=CCN(C)C(=O)[C@@H]4[C@H]2C(=O)N([C@@H](CO)C(C)C)C3C1=O"]
["87072294","CC1(C)CCCC(NC2CC(C)(C)Oc3ccccc32)C1"]
["60178378","C=C1CCCC2(C)CC3OC(=O)C(CNCCc4ccccc4)C3CC12"]
["199821359","Cc1cccc(C)c1B1c2cc(C3(C)CCCCC3)cc3c2-n2c4c1c1c5c(c6c7ccccc7oc6c1n4c(=O)n1c4c(c6c(c7oc8ccccc8c74)C4CC7CC(C4)CC6C7)c(c21)B3c1c(C)cccc1C)C1CC2CC(CC5C2)C1"]
["199433307","CCC[C@H]1CCc2c(C)c(F)cc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@]2(O)CC"]
["70348913","CC[Si](CC)(CC)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O[Si](CC)(CC)CC)C3(C)C(=O)C(O[Si](CC)(CC)CC)C(=C1C)C2(C)C"]
["188972392","c1ccc2/c(c1)=c1/cccc/c1=c1/cccc(-c3cc4c5c6c(ncc5n5c7cnc8c(c7c(c3)c45)C3CC4CC5CC8CC54C3)C3CC4CC(C3)CC6C4)/c1=c1\\cccc\\c1=2"]
["33663032","CO[C@@]1([C@]2(OC)C[C@@H]3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](C2)n2c(=O)n(-c4ccccc4)c(=O)n23)C[C@@H]2C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](C1)n1c(=O)n(-c3ccccc3)c(=O)n12"]
["188972468","c1ccc2c(c1)oc1cc3c(cc12)oc1c3cc2c3c4c(ncc3n3c5cnc6c(c5c1c23)C1CC2CC3CC6CC32C1)C1CC2CC(C1)CC4C2"]
["184785051","C1=CC2C(=[C-]C=1c1ccc(-c3ccccc3)cn1)C1CC3CC4CC2CC34C1.[Ir]"]
["69788269","CC(CCc1ccco1)[NH2+]CC1C(=O)OC2CC3(C)CCCC4(CO4)C3CC21"]
["53597886","O=IC#CC#CC#CI"]
["91353401","IC#CC#CC1=CCCCC1"]
["25077350","O=C(Cl)OCC#CI"]
["190232996","C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CI.[Tm]"]
["161844547","O=C(O)CNC#CI"]
["150653222","CC#CC#CC#CC#CC#CC#CC#CI"]
["192223382","CC(C)(C)c1cc(I)c(O)c(I)c1.O=IC#CC#CC#CI"]
["25186641","CCOC(=O)OCC#CI"]
["79452030","O=CCC#CI"]
["78598350","CC(=O)C#CI"]
["78580517","BCC#CI"]
["96871152","CC(=O)c1ccc(C#CI)cc1"]
["26273620","N=C(NC1C2CC3CC(C2)CC1C3)NN(C(=NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3"]
["104766139","CN(C(=O)[C@H]1CSCN1)C1C2CC3CC(C2)CC1C3"]
["190553733","OC(=NC1C2CC3CC(C2)CC1C3)c1cnn(C/C=N\\OC2CCNCC2)c1OCC1CCCCC1"]
["15221467","O=C(OCC(O)=N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)c1c2c(nc3ccccc13)CCC2"]
["23332358","O=C(c1ccccc1F)N1CCN(c2ccc(C(O)=NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1"]
["42717686","O=[N+]([O-])c1ccc(NNC2C3CC4CC(C3)CC2C4)cc1"]
["100439023","CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1C2C[C@H]3C[C@H](C2)C[C@H]1C3"]
["30795723","CC1(C(O)=NC2C3CC4CC(C3)CC2C4)CCCc2ccccc21"]
["89594577","CC(C)=C(OC1C2CC3CC(C2)CC1C3)C(=O)O"]
["164966672","COc1cccc(-c2nnc(SCC(O)=NC3C4CC5CC(C4)CC3C5)n2-c2ccccc2)c1"]
["162290180","C[C@H](N=C(O)NC1CCCC1)C(=N)O"]
["13898087","N=C(O)N1N[C@]2(C[C@@]1(O)C(F)(F)F)[C@@H]1C[C@H]3C[C@@H](C1)C[C@@H]2C3"]
["64431787","[O-]C=[Si]1O[Si]=[O+][Si-]=[O+][Si-]=[O+]1"]
["185610298","C[Si](C)(C)c1cccc([Si]2O[Si-]=[O+][Si-]=[O+]2)c1"]
["172366777","CCCCC=C[Si]1O[Si-]=[O+][Si-]=[O+][Si-]=[O+]1"]
["46016747","C=CCC(C=C)(CC=C)[Si]1O[Si-]=[O+]1"]
["49306831","CC=C[Si]1O[Si-]=[O+][Si-]=[O+][Si-]=[O+]1"]
["76673209","Cc1cc(C=C[Si]2O[Si-]=[O+][Si-]=[O+][Si-]=[O+]2)c(C)c(C)c1C"]
["172650946","C=C[Si]1O[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+]1"]
["42860776","C=C[Si]1O[Si-]=[O+]1"]
["60028262","Cc1cc(/C=C/[Si]2O[Si-]=[O+][Si-]=[O+][Si-]=[O+]2)c(C)c(C)c1C"]
["99781646","CC(C)(C)[Si]1O[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+]1"]
["25511850","[CH2+]C[C]=C[O-]"]
["99781674","CC(C)(C)[Si]1O[Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+][Si-]=[O+]1"]
["168453904","CC1=C(C)C(=[N+]2C=CC(=[N+]([O-])[O-])C=C2)C(C)=C(C)C1=C1C=CC(=[OH+])C=C1"]
["47748558","C[As](C)(C)=C1C=CC(=[OH+])C([N+](=O)[O-])=C1"]
["55851441","N=c1[nH]c2c(Cl)cc([N+](=O)[O-])c(N3CCCC3)c2s1"]
["196823818","C=C1C=CC(=[N+]([O-])[O-])S1.[V]"]
["195046821","O=CC1=C(Cl)N(c2ccccc2)NC1=C1C=CC(=[N+]([O-])[O-])C=C1"]
["59829400","Cc1ccc([N+](=O)[O-])c2nccnc12"]
["158379714","Cc1cc(C(=O)CCl)c([N+](=O)[O-])cc1F"]
["96546871","O=[N+](O)c1cc([N-]N=C2C=CC(=[OH+])C=C2)ccc1Cc1ccc([N-]N=C2C=CC(=[OH+])C=C2)cc1[N+](=O)O"]
["96806593","O=[N+]1C=CC(=[N+]([O-])O)C(Br)=C1"]
["171023576","Cc1cc([N+](=O)[O-])c(C(=O)CCl)cc1N"]
["183494282","Cc1ccc([N+](=O)[O-])cc1SCC(C)C"]
["99755035","[B+]=c1cn[nH]c1=C1C=CC(=[N+]([O-])[O-])C=C1"]
["199207484","Cc1cc(C)c(N2[CH-][N+](c3c(C)cc(C)cc3C)=C3[N-]C=CC=C32)c(C)c1.Cc1cc(C)c2[n-]c3c(C)cc(C)cc3c2c1.[Au]"]
["MCULE-8170485780","Cc1cc(C)c(-c2cc(C#N)ccc2N=C(O)c2nccnc2C)c(C)c1"]
["369876","CCC(CO)Nc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C"]
["175420797","Cc1cc(C)c(N2C=CN(C3CCCC3)C2)c(C)c1.Cl"]
["81173598","CCN(CC1=NC(=O)C2C=CC=CC2=N1)Cc1nnc2n(C)c(=O)c3cc(C)ccc3n12"]
["106829439","Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@H]3N"]
["178012962","Cc1cc(C)c(-n2c[n+](-c3c(C)cc(C)cc3C)cc2OCCCCCCBr)c(C)c1.[Br-]"]
["29577545","CCCNC1=C2CCCN(c3c(C)cc(C)cc3C)C2N(CC)C(C)=N1"]
["89098570","Cc1cc(C)c2oc(CNCC(C)C)c(C(F)(F)F)c2c1"]
["170514508","CN1[CH-][N+](c2[c-]c([C@]3(c4ccccn4)c4[c-]cccc4-c4ccccc43)ccc2)=C2[N-]C=CC=C21.FC(F)(F)C1=N[C-](C(F)(F)F)C(c2ccccn2)=C=C1.[Ir]"]
["70450193","Br.Cc1cc(C)c(N=C([O-])C[n+]2ccn(-c3c(C(C)C)cccc3C(C)C)c2)c(C)c1"]
["151275926","Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(F)cc3)C2=O)c(C)c1"]
["175879977","O=C(O)[As]1C[AsH][AsH][AsH][AsH][AsH][AsH][AsH]1"]
["175223678","CC.CC1CC=CC(C(=O)O)=C1O"]
["65686267","O=C(O)[C@H]1CC=CC[C@H]1C(O)=NNc1c(Cl)cc(Cl)cc1Cl"]
["69748100","NC1(C(=O)O)CCC1=CI"]
["145023456","Cc1cc(C2(C(=O)O)CC2)c(O)c(Br)c1C"]
["107477227","O=C(O)C[C@]1(C(=O)O)CCCc2ccc(O)cc21"]
["185252671","Cc1nc(C2CC2)nc(C(=O)O)c1Cl"]
["167429164","O=C(O)N1CCN=C1S"]
["100271792","O=C(O)C=C1CCCC2=C(CCC=C2)C1O"]
["501154","N[C@@H](Cc1ccc(O)cc1)C(O)=NC1CCCCC[C@@H](C(=O)O)N=C(O)C2(CCCC2)CCN=C1O"]
["MCULE-5393884155","CCCc1cc(C(=O)N2CCC3(CC2)OCCO3)nn1C"]
["107143086","N[C@@H](C(=O)O)C1COC2(CCCCC2)OC1"]
["76156140","C1=Cc2ccc3c(c2=CN=C1)=CN=CN3"]
["54607690","CC1(C)CC(O)=Nc2cc3c(cc21)NC(=C1C=CC=N1)N3"]
["173285506","C1=CNC(C2CCCCN2)=CN=C1"]
["26358880","C1=Nc2ccc3c(c2=C1)=CCN3"]
["177187417","C1=C\\c2c(ccc3[nH]ccc23)/C=C\\N=C/1"]
["195145258","CN=C1/C=C/C=Nc2cc(F)ccc2NN(C)N1"]
["74114807","C1=c2nnnnc2=N[N]1"]
["175237582","C1=Cc2ccc3[nH]ccc3c2NN=C1.c1ccc2ccccc2c1"]
["112301914","C1=C/C(=C2\\N=C([C@@H]3Cc4ccccc4N3)ON2)N=C1"]
["62094372","C1=Cc2cncnc2NN=C1"]
["63252395","C1=Cc2ccccc2C(Cc2ccccc2)N=C1"]
["173890831","CCC1CC=CC=N/C=C(/C(C)C)C1"]
["170552017","C1=CC(=C[N-]CCSCc2cc(CSCC[N-]C=C3C=CC=C3)c(CSCC[N-]C=C3C=CC=C3)cc2CSCC[N-]C=C2C=CC=C2)C=C1.[Fe+2].[Fe+2]"]
["110837769","c1ccc(CSCCN(CCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1"]
["52098971","CCCCCCC=C1C=CC=C1"]
["145349790","CCCCCCCCSCc1cc(C)c(C=O)c(CSCCCCCCCC)c1"]
["121468192","O=c1ccn(CCCSCc2ccccc2)c(Cl)c1"]
["51779989","N#Cc1ccc(F)cc1CSCCCN"]
["68906882","O=C1C(Cl)=CC(Cl)=C/C1=C\\NCCSCc1ccccc1Cl"]
["49565156","OCCSCc1ccc(Cl)s1"]
["9179432","O=S(=O)(CCSCc1ccccc1)c1ccccc1"]
["154967647","Cn1c(=O)[c-](C=C2C=CC=C2)c(=O)n(C)c1=O"]
["113323317","C=CCSCCNc1nccn2nc(C(F)(F)F)cc12"]
["181535613","O=[N+]([O-])c1cc(CSCCc2ccc(O)cc2)cc([N+](=O)[O-])c1"]
["161393948","CN=C1NC(N(C)CCc2ccoc2)=NC(CN(CCc2ccoc2)C2=NC(CCN(CCc3ccoc3)C3=NC(C)N=C(N(C)C)N3)N=C(N(C)C)N2)N1"]
["83304574","O=C(O)C1=NC(c2cscc2NC(O)=NCc2ccoc2)=NC(=O)C1=O"]
["130462262","CC1CN(C(=O)Cc2ccoc2)CCS1"]
["108296043","CN(C)C(O)=NC[C@]12COC[C@H]1CN(Cc1ccoc1)C2"]
["135822957","N#CCCC(N=C(O)CCc1ccoc1)c1ccccc1"]
["100069219","COCCN(Cc1ccoc1)C(O)=NCCCc1ccccc1"]
["60820514","CN(Cc1ccoc1)C(=O)N(CC(=O)O)C1CC1"]
["SN0435266-01","C/C(=C\\C(O)C/C(C)=C/CCc1ccco1)CCCc1ccoc1"]
["13276562","CCc1nc(N(CCC(O)=N[C@H](C)CC)CCc2ccccc2)c2ccccc2n1"]
["70124572","O=C(O)CCOCCCN1C(=O)CCCC1CCC(O)Cc1ccoc1"]
["34413843","CN(CCc1ccccc1)c1cccc(/C=C2\\SC(=O)N=C2O)n1"]
["108244856","C[C@H]1C[C@H]2CN(Cc3ccoc3)CC[C@@H]2O1"]
["32972809","C#CCSC(=S)C(CCC)C(CCC)C(SCl)=[S+]CC#C.[Cl-]"]
["187110195","CCCC(C(=[OH+])[N-]c1c(C)cc(Cl)cc1C)[N+](C)(CC)CCC"]
["14259305","CCC[C@@H](CI)CC(=O)Cl"]
["88547910","CCCC(C(=O)OCC)N(CCC)CCC"]
["100628169","CCCC(N=C(O)CN=C(C)O)c1nccn1C"]
["182900275","C#CCCCC(CCCC)OC(=N)O"]
["170251691","CCCCCCC(C(=O)O)N(CC(=O)OCCC)c1cc(Cl)cc(Cl)c1"]
["91579860","CCCC(CC(=O)OCC)C(C)=O"]
["197470546","C#CC(CCC)NCC(F)(F)C(=O)O"]
["182589194","CCCC(C(=O)N=[N+]=[N-])C(O)C(=N)O"]
["162348659","C#CCSCCSC(=N)N"]
["112164813","C#CCSCCNC(C)c1ccc(-n2ccnc2)cc1"]
["168548890","C1=NN=C2NN3C=NNC3=NC=C12"]
["163059312","CC1=NN=CC1=C1SNC=C1N"]
["59126125","C1=NNC2=c3cccc4c3=C(C=N4)CN12"]
["44623845","C1=CC2=NN=CC2=N1.c1cc[nH]c1"]
["107629472","C1=NNC2=NC=C3CCCN=C3N12"]
["53563791","C1=CN2C(=CN=C3C=NCN=C32)N1"]
["68247160","O=S(=O)(F)c1n[n-]c(SOOF)n1.[Li+]"]
["161866628","C1=CN2NN=CC2=CO1.I"]
["76825521","S=C1C=NNC2=NC=NC12"]
["108172129","FC1=C[C@@H](F)C=C2C=NN=C12"]
["115007493","CC(C)CN1C=NN/C1=C1\\C=CC(=O)N=C1"]
["32716407","OC1=N/N=C/c2ccc(cc2)/C=N/N=C(O)[C@@H](O)[C@H](O)C(O)=N/N=C/c2ccc(cc2)/C=N/N=C(O)[C@@H](O)[C@@H]1O"]
["145702639","C[Si](C)=C=C=C1[CH-]C(=C=C=[Si](C)C)c2ccc3c(=C=C=[Si](C)C)cc(C#C[Si+](C)C)c4ccc1c2c43"]
["59468789","CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc6c5C(C)(C)c5ccccc5-6)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21"]
["185952316","CC(C)(C)c1ccc(C#Cc2cc(C#N)c3ccc4c(C#N)cc(C#Cc5ccc(C(C)(C)C)cc5)c5ccc2c3c45)cc1"]
["176721304","CC(C)(C)c1cc2cc(c1)C(C)(C)CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c1c3c(c(-c4ccccc4)c4ccccc14)-c1ccc4c5c(ccc-3c15)-c1c-4c(-c3ccccc3)c3ccccc3c1-2"]
["80016737","Cc1ccccc1-c1cc2c(-c3ccc(C(C)(C)C)nn3)ccc3c(-c4ccccc4C)cc4c(-c5ccc(C(C)(C)C)nn5)ccc1c4c23"]
["170556059","COc1cccc2c1ccc1c(OC)c(C)c(C#N)cc12"]
["186016207","CC(C)(C)SSC#Cc1ccc2ccc3cccc4ccc1c2c34"]
["180360587","C1=c2c3cccc4cccc(c5ccc6c(c25)C(C1)c1ccc2c5c(ccc2c1-6)-c1ccc2c6cccc7cccc(c8ccc-5c1c28)c76)c43"]
["48286368","c1cc2ccc3ccc4c5c(cc(c1)c2c35)C1=C4O1"]
["MCULE-6709192734","N#Cc1cc(F)ccc1-c1ccc2c(O)nnc(O)c2c1"]
["25695264","C=Cc1ccc2c(ccc3op(Oc4cc(C)c(C)c(C)c4-c4c(P)cc(C)c(C)c4C)oc4ccc5cc(C=C)ccc5c4c32)c1"]
["185952195","CC(C)(C)c1ccc(C#Cc2cc(N(c3ccccc3)c3ccccc3)c3ccc4c(C#Cc5ccc(C(C)(C)C)cc5)cc(N(c5ccccc5)c5ccccc5)c5ccc2c3c45)cc1"]
["159590626","C=[SiH-](C)N[SiH3].[K+]"]
["22885891","[CH2]C(C)(C)NC[B-](F)(F)F.[K+]"]
["172801838","C=[SiH2-]N[SiH3].[Na+]"]
["193290757","C=[SiH2-]C.[K+]"]
["25511297","CNN[NH]"]
["56088761","[CH2-][N+](=[SiH-](C)C)[Si](C)(C)C.[K+]"]
["182819987","C=CC(C=C)[SiH2]N[SiH3]"]
["192232300","CNC.C[SiH3]"]
["183597591","C=C[Si](C=C)(CC)N[SiH3]"]
["78088433","CC(C)[N+](O)(O)O.[BH4-]"]
["79334152","[SiH3]N[TeH]"]
["192522208","C=[SiH-](C)C[Si](C)(C)C[SiH](C)C[Si](C)(C)C[SiH](C)C[Si](C)(C)C[SiH](C)C[Si](C)(C)C.[Y]"]
["177247986","N1C2C3C4C5=C6C3C3C6C1C53C24"]
["109081227","CC1(C)OC(=O)C2(C(=O)O1)[C@@H]1[C@H]3[C@@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@H]2[C@H]6[C@H]51"]
["177056604","CC1CCCC2NC(C)C(C)NC12"]
["199724411","N=C(O)C1CC(=O)N(CCCCCO)C1"]
["144590054","CC12CCCC1(C)C1C(N)NCNC12"]
["109081226","CC1(C)OC(=O)C2(C(=O)O1)[C@H]1[C@H]3[C@@H]4[C@H]5C[C@H]6[C@H]4[C@@H]3[C@H]2[C@@H]6[C@@H]51"]
["108949503","CC1(C)OC(=O)C2(C(=O)O1)[C@H]1[C@H]3[C@@H]4[C@H]5C[C@H]6[C@@H]4[C@H]3[C@H]2[C@@H]6[C@@H]51"]
["102867525","COc1ccc(OC)c2c1[C@H]1[C@H]3[C@@H]1[C@]14C=C[C@]1(CC=CC4)[C@H]23"]
["109398105","COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@H]1[C@]14C=C[C@@]1(CC=CC4)[C@H]23"]
["76978699","CC1CC2NC3C(C2CC1C)C1NC2CC(C)C(C)CC2C1C1NC2CC(C)C(C)CC2C31"]
["97207481","CC1(C)C(=O)C2C3[C@H]2[C@H]1[C@H]1C(=O)CC[C@@H]31"]
["185300846","C=C1C(=O)C2C(C(=O)[O-])C2C1C(=O)[O-]"]
["82455738","OC(=NC1CCCCC1[N-]C(O)=c1ccc(=C2C=CC=CN2O)cc1)C1=CC2=CC(=[Cl+])C=CC2=[NH+]1"]
["103534223","CC(C)(C)[C@H]1CCCC[C@@H]1N=C(O)c1cc(S(N)(=O)=O)ccc1Br"]
["135693815","CC1CCCCC1N=C(O)N=c1ccn(CCC#N)[nH]1"]
["127845215","Cc1noc(C2CC2)c1NC(O)=NC1CCCCC1C(=N)O"]
["112758830","CSC1CCCC1N=C(O)c1cc(=N)[nH]cc1[N+](=O)[O-]"]
["65681459","Cc1cc(NC(=O)CN=C(O)C2CCN(C(C)C(O)=Nc3cccc(C(O)=NC4CCCCC4C)c3C)CC2)ccc1NC(=O)c1ccccc1F"]
["10231306","Cc1ccc(OCc2nc(C(O)=N[C@@H]3CCCC[C@@H]3N=C(O)C(C)(C)C)cs2)cc1"]
["137689915","N=C(O)C1CCCCC1N=C(O)C1Cc2cc(F)ccc2O1"]
["18378476","CC(O)=Nc1ccc(F)c(C(O)=N[C@H]2CCCC[C@@H]2C(C)(C)C)c1"]
["103462721","C[C@@H]1[C@H](C)CCC[C@@H]1N=C(O)c1cc(N)ccc1Cl"]
["MCULE-5505188629","CC1CCCCC1N=C(O)Oc1cccc2c(NC(=O)c3ccc(Cl)s3)cccc12"]
["156513218","C[C@@H]1[C@H](C)CCC[C@H]1N=C(O)c1ccc2nn[nH]c2c1"]
["97708836","[C]1=CC=CC=CC=C[CH+]C1"]
["79091485","CCC1=CC[C]=C1[SiH](C)C.[C]1=CC=CC1.[Ni]"]
["79431534","ClCCl.[C]1=CC=CC1.[Ti]"]
["187636051","CN(I)C1=C=CC=CC=C1"]
["79522030","CC(C)(C)C1=[C]CC=C1.[C]1=CC=CC1.[Hf]"]
["79722272","[C]1=C/C=C/C=C/C=C\\C=C\\C=C\\C=C/CC1"]
["78205862","[C]1=C/C=C/C=C\\C=C/CC1"]
["100858100","C1=C[CH+]CCC=C1"]
["187101032","C1=CC=CC=CC=1.CC.Cc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc3c(c2)C(C)(C)C2=CCCC=C23)n1"]
["68298864","[C]1=CC=CC1.[Sn+3]"]
["60108756","[C]1=CC=CC1.[C]1=CC=CC1.[Hg]"]
["78691779","[C]1=C/C=C/C=C\\C/C=C\\C=C\\C1"]
["161919943","CC[S+]=c1ssc2c(=O)ssc12"]
["103116046","Cc1ccc(/C=C2/CCCC/C(=C\\c3ccc(C)s3)C2=O)s1"]
["183229509","CCC1=NSC(Br)(Br)C1=O"]
["75443733","CCO.COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1"]
["173379853","CCN1CC(=O)SCC1=O"]
["64904942","CCC(C)n1[nH]c(CSC(C)(C)C)cc1=O"]
["58071452","CCCc1cssc1=O"]
["180346939","CC[N+]1=NC=C1C"]
["86271074","CCCCN1C(=O)C(=O)c2cc(F)c(F)cc21"]
["25898326","CCC1COCN1"]
["103311006","CCc1ccc(CN[C@@H]2CCOC2=O)cc1"]
["45276026","CC(C)(C)N1CC(CCl)OC1=O"]
["185813728","O=C1C(C2=C(Cl)CCC=C2Cl)=C2CCC(Br)=CN2C[N+]12CC2"]
["179987040","ClC1=c2ncccc2=CCC1"]
["11697275","O=C1CCC(=O)N1CCC(O)=NCc1ccc(Br)cc1Cl"]
["34318498","Cc1cn(CC2CC/C2=C/CO)c(=O)nc1O"]
["181679150","Cc1nn(C2=C(C(=O)c3ccc4c(c3Cl)CCS4)C(=O)CCC2)cc1Br"]
["161696802","O=C1C[C@H]2SC(Br)=CN12"]
["174149129","O=C[B]NC1=C(Cl)CC=C1C(F)(F)F"]
["133706532","COC1CCCC(OC(=O)c2cc(Br)cn2C)C1"]
["114203939","CC1SCc2c(ccc(Cl)c2Cl)C1=O"]
["11017937","O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccccc1"]
["175456264","CC1=C(N)C(Cl)=CCC1"]
["61079134","OC(=Nc1cccc(Cl)c1Cl)C1=C(Br)C2=NC(c3cccs3)CC(C(F)(F)F)N2N1"]
["169902349","CC(C)(C)c1sc2c(c1Cl)N=NSc1c-2sc(C(C)(C)C)c1Cl"]
["MCULE-2452378782","CCc1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CCSC3"]
["177259464","Cc1nc2sc(C(C)(C)C)nn2c1I"]
["87290265","Cc1cccc(C(O)c2ccc(C(C)(C)C)s2)c1Cl"]
["105334039","Cc1nc([C@H](C)NCCO)sc1C(C)(C)C"]
["127008170","Cc1cccc(N=C(O)c2scnc2C(C)(C)C)c1Cl"]
["177852660","CCC(NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)OC)o3)nc2CO)c(Cl)c1Cl)C(F)(F)F"]
["66968796","CC(C)(C)C1=NS(=O)(=O)c2sccc21"]
["175443060","CC(C)(C)c1cnc(Cl)c(Cl)c1S"]
["162084559","CC(N)(CO)c1cncc([N+](=O)[O-])c1Cl"]
["92881671","CCCNCc1sc(-c2ccc(Cl)cn2)nc1C(C)(C)C"]
["162134964","Cc1c(N)ccc(C(C)(N)CO)c1Cl"]
["185644458","O=C1C=NC(=O)C=c2ccccc2=NC=NC=NC=NC=CC=CC=CCC=N1"]
["MCULE-6446708090","CC(=O)Oc1ccc(CC(N=C(O)Cc2nc(-c3ccccc3C)oc2C)C(=O)N2CCC3(CC2)OCCO3)cc1"]
["76190749","C1=C/COc2ccc3ncnc(c3c2)/N=c2\\cccc\\c2=C/CO/C=C/1"]
["99514255","OC1=Nc2ccc(N/C=C3/C=c4ccccc4=N3)cc2C1=Cc1cc2ccccc2[nH]1"]
["83775957","O=C1N=c2ccccc2=CC1=CNNC1=CN=NC(=O)C1Cl"]
["168627815","O=C(CN=C(O)c1ccccc1Cl)N=N/C=C1/C=c2ccccc2=NC1=O"]
["76162072","C1=CC=CC2=Cc3ccccc3C2=NC=C1"]
["164029077","O=[N+]([O-])c1cccc(C2=NN/C(=C3/C=c4ccccc4=N3)O2)c1"]
["47701292","C/C(NN=C(O)c1ccccc1)=C1\\C=c2ccccc2=N1"]
["67027216","O=C1CC=Nc2ccccc2C=N1"]
["76965847","O=S(=O)(Nc1ccc2c(c1)C(=C1C=c3ccccc3=N1)N=N2)c1ccccc1OC(F)(F)F"]
["151712435","O=C(C1=NC=NC1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1"]
["170997533","C1=C2CCC3OC2=C(O3)C2=C3N=C(N[c-]4nc5c6c(cccc64)OC4CCc6c7c8c9c(c6O4)C(=N5)N=C9N=C4N=C([N-]3)c3c5c6c(c(c34)CCC(O7)O8)OC(CC5)O6)C=12.[O].[V+2]"]
["100148300","CN1C[C@@H]([C@H](c2ccccc2)c2cccc(OC3CC3)c2)n2ncc(=O)c(O)c2C1=O"]
["82542179","OC(C=C1CCC(C(F)(F)F)Oc2ccccc21)=Nc1ccc2c(c1)N=C(O)C(N1CCSCC1)C2"]
["MCULE-6545511227","COc1cc(-c2cnc(N=C(O)C3COc4ccccc4O3)c(C#N)n2)cc(OC)c1OC"]
["170997542","c1cc2c3c4nc5nc6nc7nc(nc8nc([nH]c([nH]4)c3c1)-c1cc3c4c(c1-8)OC(C3)O4)-c1c3c4c(c(c1-7)CC1Oc7c8c(c-5c-6c7O1)OC(C8)O2)OC(C3)O4"]
["195139674","CC(=C1CC1)c1ccc2c(c1)CC(C)C2.CCC1CC(O)=NC(=N)N1.CCCC1CC(C)(C)Oc2ccccc21"]
["MCULE-6658026473","COc1cc(-c2c(C#N)cccc2OC)cnc1N=C(O)C1COc2ccccc2O1"]
["198806858","O=C1N=C(O)CCC1N1Cc2c(CN=c3ccn(C4CCNC4)[nH]3)cccc2C1=O"]
["188076926","O=C1N=C(O)CCC1N1CC(c2ccc(CN3CCN(c4cccc(-c5cnc6ccc(N7CCCC7c7cccc(F)c7)nn56)n4)CC3)cc2)OC1=O"]
["191975768","CCn1nc(C2CC2)cc1N=c1nc(C(=O)NCCc2cnc(CCCCc3cccc4c3CN(C3CCC(O)=NC3=O)C4=O)[nH]2)[nH]c2[nH]c3cc(-c4c(C)noc4C)c(C)cc3c12"]
["CSSS05721081591","C=CCN=c1[nH]nc(CC2Oc3ccccc3N=C2O)o1"]
["198108620","O=C1N=C(O)CCC1N1Cc2cc(OCCN3CC(c4cccc5[nH]ncc45)C3)ccc2C1=O"]
["54856557","C[N+](C)(C)CCCC1CCC(=CC=C2C=C[N+]3(CCC3[N+](C)(C)C)c3ccccc32)c2sc3ccccc3[n+]2C1"]
["98431310","C[C@@H](O)CCC[C@H](O)C=C[C@@H]1[C@@H](CCCc2ccc(CP(=O)(O)O)s2)[C@H](Cl)C[C@H]1O"]
["75305135","CN1C(N(C=O)CCCC[N+](C)(C)C)=C(O)c2ccccc2S1(=O)=O"]
["174080427","C=CC1=NC2C(=C)[n+]3ccc(CC4CCCC4)cc3C3=C(CCC2c2ccccc21)N(C)[C@H](C)C(C)NCOC3=C"]
["MCULE-3722050874","C#CCN(CC#C)C(=O)[C@H](C1CCCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["187307312","N=C(O)c1sc2ccccc2c1OCCC1CCC1"]
["60302452","CCOC(=O)c1c(N=C(O)CCCN2C(=O)c3ccccc3C2=O)sc2c1CCC(C(C)(C)C)C2"]
["163691208","CC12CCC(=O)C=C1C=CC1C2CCC2(C)C(CCN3C(=O)c4ccccc4C3=O)CCC12"]
["171786662","CNCC1=C(c2cccc3c(C)csc23)C2CCC1C2.Cl"]
["10882584","CCN(CC)CCN(C(=O)[C@@H]1Oc2ccccc2O[C@H]1C)c1[nH+]c2ccc(Br)cc2s1"]
["42611674","CN1C(=CC2=CC(=Cc3sc4ccccc4[n+]3C)c3ccccc32)Sc2ccccc21"]
["127614718","CCCN1CCC(CN=C(O)NCc2cccc(N(C)C)n2)CC1"]
["179110054","OCCN(CCO)C1=CC=C(/C=C/C2=CC[N+](CCS)=C2)CC1"]
["119153806","O=S(=O)(/C=C/c1ccccc1Cl)N(CCCCO)C1CC1"]
["169828037","Cc1ccc(C(C)C)c(O)c1N(CCO)CCCCCl"]
["114372307","COc1ccc(C#N)c(N(CCO)CC(F)F)c1"]
["127083615","CN(CCCO)C1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1"]
["86302266","CCN(CCO)c1nc(=N)[nH]cc1Br"]
["124527683","CCN(CCO)CCNc1cc(C)nc2nc(C(F)(F)F)nn12"]
["178481833","COC1=C(C2=CC=C(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(C)(F)F)cc3)CC2)CCCC1"]
["52014647","CCCCN(CCO)C1=NC(OC)CC=C1N"]
["74014795","CCN(CCO)c1ccccc1[N+]#N.[Cl-]"]
["59250581","CCN(CCO)c1ncnc(NN2CCN(C)CC2)c1N"]
["120398232","CN(CCCO)C(=O)/C=C/c1ccccc1Cl"]
["26221061","CC(C)(C)C1=C=C(SSSC2=CC(C(C)(C)C)=[C+]C(C(C)(C)C)=[C-]2)C=C(C(C)(C)C)C1"]
["191856548","CC(C)(C)C1=Cc2cncnc2C1.CC(C)(C)C1=Cc2cncnc2C1"]
["174411850","CC1=C(C#Cc2ccccc2)CC(C(C)(C)C)=C1"]
["115003462","CC(CCl)(CCl)NC(=O)c1cccc(O)n1"]
["97597910","CC[N+](CC)(CC)CC1=CC(=C[N-][C@@H]2CCCC[C@H]2[N-]C=C2C=C(C[N+](CC)(CC)CC)C=C(C(C)(C)C)C2=[OH+])C(=[OH+])C(C(C)(C)C)=C1"]
["187048370","CC1=C=C(c2ccc3sc(-c4ccc(C(C)C)cc4)cc3n2)CC(C(C)(C)C)=C1.[CH2-]C(=O)/C=C(/C)O.[Ir]"]
["79971418","CC1=C(C2(C)[C]=C3C(C(C)(C)C)=C2[Si]3(C)C)CC(C(C)(C)C)=C1"]
["179774359","C=N[C-](C1=C=C[C-]=C(NC)C1)C(C)C.[U+2]"]
["25098528","COC1=C=C(C(C)(C)C)[C-]=C(SC2=C=C(C(C)(C)C)C=C(OC)C2)[CH+]1"]
["73918807","CC(C)(C)C1=CC=CC(=C=[N])C1"]
["78624610","CCCCCCCC1=[C+]C(C2=C=C(C(C)(C)C)C=C(CCCCCCC)C2)=[C-]C(C(C)(C)C)=C1"]
["185993978","CC(C)(C)C1=CC2=[C]C(=[C+]1)N(c1ccc(C(C)(C)C)cc1)C1=C=C(C=C(C(C)(C)C)C1)SC1=C=C([CH-]C(C(C)(C)C)=C1)N2c1ccc(C(C)(C)C)cc1.[Bi+2].[O-]c1c([O-])c(Cl)c(Cl)c(Cl)c1Cl"]
["78584280","C=C(CCC(=S)O[SiH3])C(=S)O[SiH3]"]
["179060890","C=C(I)SCCC(=S)N(C)C(C)C"]
["187310795","C=C(CCC)CC/C(N)=C\\C(C(=C)CCC)=C(C)/C=C/NC"]
["66298777","C=C(CCOP)C(=O)O"]
["78186515","C=C(CCC(=C)C(=O)O)OC(=O)CCl"]
["78133548","C=C(CCO[SiH3])C(C)C"]
["79863006","C[C](C)CCCO[SiH3]"]
["25247992","C=C(CCO[Si](C)(C)C)C(=O)O"]
["49224554","C=C(CCC(OCC)OCC)C(=N)O"]
["195525974","CCCCC(=S)OC=C=O"]
["99227526","C=C(CCCl)[Si](Cl)Cl"]
["61883534","C=C(CC#N)OC"]
["96937625","C[As]1O[As](C)O[As](C)[O+]2[As-][O+]([As](C)O[As](C)O1)[As]2(C)([O-])[O-]"]
["84185704","C[As]1O[As](C)O[As](C)O[As](C)O1"]
["97452253","C[As]1O[As](C)O[As](C)O[As](C)O[As](C)O[As](C)O1"]
["65747021","CC1O[As](C)OC1C"]
["97894268","CC(O)=N[As]1O[As](C)O[As](N=C(C)O)O[As](C)O1"]
["67469772","CC1CC(C)C2=C1OCCO2"]
["97781195","C[As]1O[As](C)O[As](C)O[As](C)O[As](C)O1"]
["46157687","C[As]1OC(C)(C)C(C)(C)O1"]
["172310694","C=C[C+]=CC([O-])C(O)=C(C)C.[In].[In]"]
["62176920","C[As]1O[As](C)O1"]
["97820817","C[As]1O[As](C)O[As](C)O[As](C)O[As](C)O[As](C)O[As](C)O[As](C)O1"]
["46622457","C[As]1OCCCO1"]
["52504182","C=[Si](O[Si-]([CH2-])OC)[O+]([CH2-])[Si](=C)O[Si-]([CH2-])OC"]
["99671810","CO[Si](OC)OC.O"]
["79497962","CO[Si](CCCCC(C)C)(CCCCC(C)C)OC"]
["26444030","[CH2]CN1CCN(c2ccccc2OC)CC1"]
["99252267","CO[Si](C)N(C(C)C)C(C)C"]
["183692506","COCPCOC"]
["99476767","CO[Si](OC)OC.C[N+](C)(C)C"]
["70051783","[CH2-][Si](OC(C)C)OC(C)C.[Cl-].[Mg+2]"]
["58842605","C/C=C/C(C)[Si](OC)OC"]
["177704287","C=C(/C(F)=C\\C(F)=C/C)[C@@H]1CNC[C@H]1N=C(O)OC(C)(C)C"]
["26219772","CO[Si](CCC(C)C)(CCC(C)C)OC"]
["25921881","CO[Si-]=[O+]C"]
["51066166","C=[N+](C)CC=C1C=CC(=[O+]P([S-])OCCCO[P-][S-])C=C1.[W].[W]"]
["138891557","Cc1ccc([N+](=O)[O-])c(OCCCS(=O)(=O)c2ccccc2)c1"]
["62637279","CCC=C1C=C[C-](OCCC)C=C1.[W]"]
["42824558","CCCCOc1ccc(C(=O)c2no[n+]([O-])c2C(=O)c2ccc(OCCCC)cc2)cc1"]
["174774872","CN1C=CC(=CC=C2C=CC(=[N+](C)CCCOC(=O)CSSCC(=O)OCCCN(C)c3ccc(/C=C/c4cc[nH]c4)cc3)C=C2)C=C1"]
["42800306","CCN(CC)CCOc1ccc2c(c1)c1cc(OCCN(CC)CC)ccc1n2CC.Cl.Cl"]
["67895129","CCC(C)(OC)P(S)[N+](C)=NC=C1C=CC(=O)C=C1"]
["137473108","CN(C)CCOc1ccccc1CN=C(O)C=Cc1ccccc1[N+](=O)[O-]"]
["118245191","COCCNC(=NCCc1ccco1)NC(C)(C)C.I"]
["177165145","C=[N+](C)CCOC(C)C"]
["174394652","CCCCOP(c1ccccc1)c1cc(C)c(C=O)c(C)c1.[H-].[Li+]"]
["75713719","CCCCCCCO[C]1C=CC(=CN=CC(C)CC)C=C1"]
["110871040","N#[N+]NC1=NC(=C2N=NC(N(O)O)=N2)N=N1"]
["163064881","CC1=C(C#N)N2N=C(O)CN=C2N1"]
["82713414","CC(O)=NCC(=O)O.CC1=NC(=CCN(C)C)C(=O)O1"]
["100321225","N#[N+]Nc1cnnc(O)c1"]
["48859224","CC1=NC(=C2SNN=C2C)N=N1"]
["99252414","Cc1ccc(N[N+]#N)c([N+](=O)[O-])c1"]
["64548262","CC1=N/C(=C2/SNN=C2C)N=N1"]
["150125149","N#[N+]Nc1ccnc(S)c1CC(=O)c1ccccc1"]
["149941113","N#[N+]Nc1ccc(Cl)c(C(=O)O)n1"]
["62550567","Cc1ccc(N[N+]#N)cc1O"]
["68205210","S=C1N=NC(C2=CSNN2)=N1"]
["100258668","N#[N+]Nc1ccc(C(=O)[O-])c(N)n1"]
["191953511","CC1(C)c2ccccc2B2c3ccccc3-n3c4cccc(P56([N]P7B8[BH2-]B87)[B+]B5[BH2-]6)c4c4ccc1c2c43.Cc1ccc2c(c1)c1ccc3c4c1n2-c1ccccc1B4c1ccccc1C3(C)C.Cc1ccc2c3ccc4c5c3n(c2c1)-c1ccccc1B5c1ccccc1C4(C)C"]
["184835509","[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)Sc1cccc(-n3c4ccccc4c4ccccc43)c1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21"]
["191555126","N#Cc1ccc2c(c1)B1c3ccccc3N(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)cc(c31)N2c1ccccc1"]
["191011043","CCc1nc2cc(B3c4ccccc4Oc4cc(N5c6ccccc6-n6c7ccccc7c7cccc5c76)ccc43)ccc2o1"]
["177883277","CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5cc5c4c4cccc6c7c(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)c8ccccc8cc7n5c46)cc3)cc21"]
["166824497","CC1(C)c2ccc3c4ccccc4n(-c4ccccc4)c3c2-c2cccc3cccc1c23"]
["172095297","c1ccc(N2c3ccccc3B3c4ccccc4Oc4cc(-n5c6c(c7ccccc75)CCCC6)cc2c43)cc1"]
["164440301","c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5S6)c5ccccc5-n5c6ccccc6c6cccc4c65)cc32)cc1"]
["200307945","[2H]c1c([2H])n(C)c(-c2c(C)ccc3c2oc2c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C#N)cc23)c([2H])c1=[F+]"]
["171579975","CC(C)c1ccnc(N2c3ccccc3C(C)(C)c3ccc(-c4ccc5c(-c6ccc(C(C)(C)C)cc6)ccc(O)c5n4)cc32)c1"]
["166645578","CC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3cc4c(c5ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21"]
["199213525","Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1"]
["91066180","[B]1c2c1c1c(c3c2=B3)B=1"]
["100182465","c1c2n[nH]c1-2"]
["176232785","COS(=[OH+])c1ccc(C)cc1"]
["57719765","CC1=CC=C(C)[B]1"]
["63081114","Cc1c(C)c(C)c2c(c1C)[B]c1c(C)c3c(c(C)c1-2)CNC3"]
["91249596","C=C1[B]C1=C"]
["170221661","[B]1C2=C1C2"]
["75263758","N=Nc1nnc(N=N)c(N=N)c1N=N"]
["91347368","B1=C2P=C12"]
["195866402","COc1c[se]cn1"]
["99823015","FC1=C(F)C(F)=C(F)[B]1"]
["176654180","Cc1cccc2c1[B]c1c(C)cccc1-2"]
["100209320","c1c[p+]2p3[pH]pc3c1=2"]
["161694050","c1ccc2p[pH]pc2c1"]
["74850851","c1cc2ccc1PP2"]
["79715623","Cc1cc[pH]c1.[Sc]"]
["175804213","c1cc(C2CC2)cc(N2CCCCC2)c1"]
["67244904","O=c1c(Cl)cn2cc(Cl)c(=O)n12"]
["84176627","Cc1cp(-c2cccs2)cc1C"]
["149614169","Nc1c[pH]ccc1=O"]
["12502697","Ic1ccc(I)nn1"]
["50673607","Nc1cccc(CCCl)c1N"]
["161878739","S=c1cco[n+]([S-])p1"]
["174724607","Cc1ccccc1[C-](C)C.[Y]"]
["179225829","c1c2cc3c4c1Cc1cc(cc-3[n+]1C4)C2"]
["62292667","Cc1ccc(N2c3cc(C)ccc3-c3c(cc(C)c4c3ncn4C)P2(=O)c2ccc(C)cc2)cc1"]
["82189466","O=C(O)C1(N(c2ccc3c(c2)Cc2cc(Br)ccc2-3)S(=O)O)CC1c1ccccc1"]
["174618462","Ic1cc2cc(c1)C2"]
["64929651","CN(C)c1cc[n+]2c(c1)-c1cc(C=O)ccc1C2"]
["61438994","Cc1cc2cc(c1)Cc1cc(O)cc(c1)Cc1cc(O)cc(c1)Cc1cc(O)cc(c1)Cc1cc(O)cc(c1)Cc1cc(O)cc(c1)Cc1cc(O)cc(c1)Cc1cc(O)cc(c1)C2"]
["76578788","OCC=Cc1ccc2c(c1)Cc1cc(C=CCO)ccc1-2"]
["195414735","CC1=C(N=O)c2ccc(C)c(N=O)c2CC1"]
["180650532","Cc1ccc2c3c1-c1cc(cc[n+]1C)-c1ccc(cc1)CCCc1nccc-2c1C3"]
["57658649","Cc1cc(C)[n+]2c(c1)-c1ccccc1CC2.[O-][Cl+3]([O-])([O-])[O-]"]
["96954160","O=C1Cc2cc3cc(c2)CC(=O)Cc2c(F)c(c(F)c(c2F)CC(=O)C3)C1"]
["62327970","Nc1cc2c3c(c1)c1c(n3C2)C1"]
["110901147","B1=c2ccc3c4c(ccc(c24)=BC1)=[B-]=CB=3"]
["95465546","COc1cccc(OC)c1C(N)C1(C)CCCC1"]
["186254526","[c]1ccc2cccc3c2c1CCC3"]
["18853685","CC1=N[C@H](CN2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(C)n2)N=C1"]
["99840408","CCc1cnc2c(c1)=BCB=2"]
["154907482","N=c1ccc2c([nH]1)CC[C@H]2N"]
["89539719","NCc1cccc2[nH]c(C3CCCCC3)cc12"]
["181786893","COCC1CNC(C(=O)O)c2[nH]c3ccccc3c21"]
["20544569","C[C@@H]1c2[nH]c3ccccc3c2CCN1CCn1cccn1"]
["168472363","B1=C2C=CB=C2C2=BC(=C3B=C4C5=BC=CC5=BC4=C3)C=C12"]
["190146919","CC(C)c1cccc2[nH]c(C3CCCC3)cc12"]
["75622269","BrC=CCC1CCCc2c1[nH]c1ccccc21"]
["194245533","[B]=[B-]1C[B+]CCCC1"]
["174085222","[B]=[B-]1[B+]CC1"]
["173604167","[B]=[B-]1[B+]C1"]
["62958179","[B]=[B-]1CCC=C2CCC[B+]C12"]
["190572981","[B]=[B-]1[B+]CCC1"]
["100311639","[B]=[B-]1CCC=C2CCC[B+][C@@H]12"]
["167213326","CN(C)B1CCCC[B-]1N(C)C"]
["198267308","CC(C)CC12CCCCC3(C)CCC(C)(CCC1)N32"]
["190658864","[B]=[B-]1CCCCN2C(=C)N1[C@@]1(C)N3[B+]CCCCN(C3=C)[C@@]21C"]
["150222544","CC(C)CCC1CCCCC1CCC(C)C"]
["165174865","CC(C)CC12CCC3(C)CCCC(C)(CC1)N32"]
["198267417","CC(C)CC12CCCCC3(C)CC(C)(CCCC1)N32"]
["161681956","CP1(C)=NP[N+]P[N]P[N]1"]
["74944192","CC1=C=CC=C(N2CC(O)C2)[N]1"]
["180226473","CP1(C)=NCN=P(C)(C)N1"]
["185813454","CC1=CC=C(C)C(O)O1"]
["44821031","CP1(C)=NP(F)(F)=NP(C)(F)=NP(F)(F)=N1"]
["97001141","CN1[B-](Cl)(Cl)N(C)[P+](Cl)(Cl)[N+]=P1(Cl)Cl"]
["167429547","n1nn[pH]n1"]
["66670038","CP1(C)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1"]
["50434876","CP1(C)=NP(F)(F)=NP(C)(C)=NP(F)(F)=N1"]
["188113552","CCC(CC)COP1(=O)CCPCO1"]
["113850095","CC(Cl)c1nnc(N(C)c2ccc(F)cc2)o1"]
["108176572","C1=CC2=NN=N[C@@H]2C=C1CC1=C[C@@H]2N=NN=C2CC1"]
["76652209","O=C(O)CCCCOC1=CC2N=CC(=O)N=C2C=C1"]
["174168029","N=NC(=N)c1ccc2c(ccn2CC2=CC(F)CC(F)C=C2)c1"]
["175543181","CN=C(C1=C(N)CCc2cnc(C)nc21)C1CCC1"]
["149788970","C=S(C)C1=CC(CN)CC1"]
["20780375","C/C(=N\\NC1=[NH+][C@H]2[NH+]=c3c(C)cccc3=C2N=N1)C(C)(C)C"]
["195506823","COC1CC=C(CC2=CCC(O)C=C2)CC1"]
["109306946","COC1=C[C@@H]2C(O)=NN=C2C=C1"]
["83700710","CCN1CCc2[nH+]c(N=C(O)C3C=CC(=O)N=N3)sc2C1"]
["90499378","C#CCC1=CC2C(=O)N=CC=C2C=C1"]
["179768190","CC1CC(CC2=CC=C(N)CC2C)=CC=C1N"]
["145183557","C1=CC2=NN=NC2C=C1c1ccc2c(c1)nc1n2CCN(C2CCC2)CC1"]
["195507208","C[NH2+]C1=C=C([NH3+])C(N=S)=C=C1NS.[Al].[Al]"]
["176193890","Cc1ccc(O)c(NS)c1"]
["184221358","[Al].[NH3+]C1=C=CC(=N[O])C=C1"]
["166579185","CNc1c(I)nnc(I)c1N=S"]
["164610248","C=CC1=CCC#CC=C1OC(C)=S"]
["184570996","Cc1c(N)c(N=S)c(C(C)C)c(NS)c1N"]
["67475704","Cc1cc2c(N=C=S)cccc2nn1"]
["178788916","CC(C)(C)C1=[C-][N-]S#C1.[Re].[Re]"]
["175847324","Cc1c([NH3+])c(N=S)c(C)c2c1N=S=[N+]2[O-]"]
["178318691","[NH3+]c1ccccc1N=S"]
["173339718","Cc1ccc(C)c(NC(S)C[NH3+])c1"]
["178166950","Cc1ccc([NH3+])c(N=S)c1"]
["195812731","CC1CN([O-])c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)N1C)c64)N([O-])[C@@H](C)N5N"]
["158611175","C[C@H]1C[C@@H](CN2CCc3cc(S(N)(=O)=O)ccc32)CCO1"]
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["164965141","Cc1c(N=Cc2cc([N+](=O)[O-])ccc2N2CCC(C)CC2C)c(=O)n(-c2ccccc2)n1C"]
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["115170758","CCC1CN(c2ccc(CBr)cc2Br)CCS1"]
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["111249563","CC1CS(=O)(=O)CCN1c1ccnc(NN)c1"]
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["28665873","c1sc2c(c1-c1sc3c(c1-c1sc4c(c1-c1c(-c5csc6c5OCO6)sc5c1OCO5)OCO4)OCO3)OCO2"]
["90109960","CCc1c(CO)cc(Cl)c2c1OCO2"]
["168538898","N=c1cc(-c2cc3c(c(F)c2O)OCO3)[nH][nH]1"]
["14699346","O=C1N/C(=C2\\N=NC=[NH+]2)Nc2scc(-c3ccc(Cl)cc3)c21"]
["147728753","OC(c1ccccc1)c1scc2c1OCO2"]
["145042629","CC(C)c1c2c(cc(Cl)c1C1(C(=O)O)CCC1)OCO2"]
["113183052","FC(F)C(F)(F)CNCc1cc(Cl)c2c(c1)OCO2"]
["32755541","COc1cc(CO)c(Br)c2c1OCO2"]
["172492958","CNc1scc2c1C(=O)N(C1(C)CCONO1)C2=O"]
["175813699","C1=CC2=CC(C3NNC(C4=CC5C=CC=CC5C=C4)N3)CCC2C=C1"]
["145015950","CS(=O)(=O)c1c(-c2cc(=N)[nH][nH]2)ccc2c1OCO2"]
["90080434","Fc1ccc(F)c2c1OCO2"]
["46216256","FC(F)(F)CCCN1C=CN(CCCC(F)(F)F)C1=C1N=CC=[N+]1CCCC(F)(F)F"]
["MCULE-3536687926","CCc1nccn1CCC(O)=NC1CC2(CCN(C(=O)CCC(F)(F)F)CC2)C1"]
["141888029","N=C(O)Cn1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)nn1"]
["88294661","Cc1ccc(C(=O)COCCCC(F)(F)F)cc1"]
["56130112","C=C(C(=O)OC)C(O)(c1nccn1CCCC)C(F)(F)F"]
["133487276","Nn1c(SCc2ncc(-c3ccccc3F)o2)nnc1C(F)(F)F"]
["59510215","CC(C)(N)CCCCn1ncc(N)c1N"]
["47928799","FC(F)(F)CCn1nnc2c1CCNC2"]
["189113851","CCOC(=O)c1nc2cc(C(F)(F)F)cnc2n1CCN"]
["81795092","CC(C)C[N+]1=CC=NC(=S)C1=O"]
["46716703","Cl.c1ccc2c(c1)NON2CCCC1CCNCC1"]
["88566074","Cn1ncc(C(=N)S)c1NS(=O)(=O)CCCC(F)(F)F"]
["172402940","[2H]C([2H])([2H])c1[nH]cc(C([2H])([2H])[2H])c(=N)c1C([2H])([2H])[2H]"]
["170798018","Cc1c(C=CCC(=N)O)c[nH]c(=N)c1N"]
["89204422","Cc1ccc(-c2cc(=N)[nH][nH]2)c(C)c1C"]
["172634250","Cc1ccccc1C1CC(=N)NN1"]
["83035987","Cc1cc(-c2c[nH]c(=N)nc2N(C)C2NNC3CCC(F)CC32)cc(S(C)(=O)=O)c1C"]
["89362527","Cc1ccc2cc(CCCN)[nH]c2c1C"]
["114176252","Cc1ccc(Br)cc1OCc1[nH]cc(C)c(=N)c1C"]
["200558846","Cc1cc(=N)[nH]cc1C#CCCN=[N+]=[N-]"]
["86342988","CCC1(CC)CCN(c2nc(=N)[nH]cc2C)CC1"]
["198241861","Cc1cc2[nH]ccc2c(S)c1C"]
["185987661","[2H]c1c(C([2H])([2H])[2H])cnc(C(=C)C=Cc2coc3nccc(C)c23)c1[2H]"]
["45012217","Cc1cc(=N)[nH]cc1C1CCN(C(=O)O)CC1"]
["101088981","C1C2CC34CCN5C6CC7CC(C6)N6CCC(C2)(CC1C3)B4C56C7"]
["17073695","Cc1ccc(S(=O)(=O)N2CC[NH+]([C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)CC2)c(C)c1"]
["57823475","C[C@@H](C(O)=[NH+]C(O)=NC12CC3CC(CC(C3)C1)C2)N1CCCCCC1"]
["89587946","N#C/C(=C\\O)C12CC3CC(CC(C3)C1)C2"]
["472933","CCN1CCC23CC4CC(CC(C4)C12)C3"]
["94918763","CC1CC(N)Cn2cc(C34CC5CC(CC(C5)C3)C4)nc21"]
["89603032","CC(C)C12CC3CC(C1)CC(C(C)C(=O)O)(C3)C2"]
["175230075","CC12CC3CC(C1)CC(C)(C3)C2(C)N.Cl"]
["156784935","O[C@]1(C2CCC2)CCN(C2CC2)C1"]
["191146695","CC12CC3CC(C1)CC(C)(C3)C2.CC1CCC(C)CC1"]
["54084151","C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2"]
["102998404","C1CCC(C([C@@H](C2CCCCC2)C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)CC1"]
["192514911","C[SiH2]O[Si](C)(C)C1(CCCCC(C(C)CO[Si](C)(C)C)[Si](C)(C)C)CC1C(C(C)CO[Si](C)(C)C)[Si](C)(C)C"]
["95759377","COCCC(C)C(NN)C1(OC)CCCC(C)C1"]
["199201304","COc1ccc([P+](CCCC(O)=NC2CC(C)(C)N([O])C(C)(C)C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1"]
["178518255","CC(C)C(C)CCC[C@H](C)[C@@H]1CC1C1(C)C[C@@H]1N"]
["107782783","CC(C)[C@@H]1CN[C@H](C)CN1c1nc[nH]n1"]
["53824667","CCO[C@H]1CCN(c2nc(C(=O)O)co2)C1"]
["191486761","C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CCCCN=C(O)C(F)(F)C1(O)C[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NN)C(=O)O.Cl"]
["189973166","COc1ccc(CO[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)CCO)cc1"]
["135639116","CCN1CCC2CCC(C1)N2Cc1ccc(OCc2noc(C)n2)cc1"]
["111646446","CCCNC1(C(=N)O)CCCC(OCC(C)CCC)C1"]
["60807842","CC(C)c1c(Cl)ncnc1N1CC2CCC(C1)O2"]
["114577051","CCCC(C)N=C(O)COc1ccc2c(c1)CC/C2=N\\O"]
["66257250","[CH-]1CCC[N-]C[N-]CCC[N-]C1.[Fe+5].[N-]=O"]
["60561215","[C-]#[N+]c1ccc([CH-]C(=O)C2CCCC2)cc1.[CH-]1CCCC1.[Fe+2]"]
["79805906","[K+].[SiH3]N[SiH]1CC[CH-]CCC1"]
["99228222","[Br-].[CH-]1CCCCCCCCC1.[Mg+2]"]
["58211256","C1C[N-]CCOCCCOCC[N-]C1.[Cu+2]"]
["99532885","[CH-]1CCCC1.[CH-]=O.[Mg+2]"]
["173326518","[CH-]1CCCCCC1.[W]"]
["44025952","C1CC[N-]CC[N-]CCC[N-]CC[N-]C1.[Ni+2]"]
["183634803","[CH-]1CCCCCCC1.[Ti]"]
["45421530","C[C-]=O.[CH-]1CCCCC1.[W+2]"]
["47390988","C1CC[N-]CC1.[Al+].[CH2+][C@@H](CCC(C)C)[C@@H]([CH2-])CCC(C)C"]
["177149348","[CH-]1CCCCC1.[CH2-]C(C)(C)C.[Mg+2]"]
["174988329","IC1=C(I)C(I)=C(I)C(I)O1"]
["26852568","IC1=C(I)C(I)C(I)=C1I"]
["65319677","COC1OC(=O)C(Cl)=C1I"]
["179751682","COC1C(I)=C(I)C(I)=C(I)C1I"]
["184538814","O=C1OC(I)C2CCCCC12"]
["179958926","CC1=C[C@H](C)[C@H](C)O1"]
["179881912","IC1=NCON1"]
["78252642","Br/C=C1\\OC1CBr"]
["42557704","COC1N=C(O)OC1C"]
["179887264","CC(C)(C)[C@@H]1OC(=O)[C@H](I)S1"]
["157308102","[B+]=C1[CH-]C(F)=C(F)C(I)=C1F.[K+]"]
["171243522","Sc1c(I)oc(I)c1I"]
["42989216","[14c-]1[14cH][14cH][14cH][14cH][14cH]1.[Br-].[Mg+2]"]
["185770409","[Br-].[C-]#CCN.[Mg+2]"]
["51132688","CCN(CC)c1ccc(N)cc1I"]
["99084985","[CH2+]Cc1ccc(N)cc1"]
["56030972","C=CCc1ccc(N)cc1CC=C"]
["178772367","CC(C)(C)OCOCc1ccc(N)cc1"]
["65950888","[Br-].[CH2-]CC.[Mg+2]"]
["180623901","C=[N+](CCO)c1ccccc1"]
["99531600","[Br-].[CH2-]COC.[Mg+2]"]
["91226169","Nc1ccc(Cc2nc(Cc3ccc(N)cc3)nc(Cc3ccc(N)cc3)n2)cc1"]
["48377189","CCC1(c2ccc(N)cc2)CC1"]
["61509358","CCCCC(CC)(c1ccc(N)cc1)c1ccc(N)cc1"]
["184959008","C/C=N/[N-]C=NC"]
["43432992","CC=NNC"]
["78296663","C/N=C/C(=O)O.Cl"]
["149834811","CC=C1CC1C1CCC1"]
["174943247","CC=NC1=C(C)C(C)C1C"]
["99802785","CC=N/C(C)=C\\N=N"]
["78569818","C/N=C\\C(C)F"]
["78378393","C/C=C\\N(C)/C=N/C"]
["83505259","C=C/N=C(C)\\N=C/C"]
["167535136","C/N=C\\CCCC/C=N\\C"]
["82236873","C/N=C\\N(C)N1CC1C"]
["62476770","C/C=N/O[Si](C)(O/N=C/C)O/N=C/C"]
["178694038","NN1C(=O)C2[I+]C=C=C2[N-][C-]1P"]
["105505652","COCCN1C(=O)[C@@H](CN)Oc2ccccc21"]
["5814413","O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1"]
["80945383","NC1=NN=NC(N)C1=C1C=C(Cl)C(=O)C=C1Cl"]
["174729846","N[C]1N=CN=C2C1=C=NN2C1CCC(=O)CC1.[Al]"]
["146410807","Cl.N[C@H]1CCN(C2CCN(C3CC3)C2=O)C1"]
["106154086","CN1C(=O)[C@@H](CN)Oc2c(Cl)cc(Br)cc21"]
["179154260","Nc1ccc(N2C(=O)C3C(C2=O)C2C(=O)N(c4ccc(I)cc4)C(=O)C32)cc1"]
["58943651","Nn1cc(Br)c(=O)n(N)c1=O"]
["109005175","Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)n1"]
["108946553","CCOC(=O)[C@H]1SC(=N)N(N)C1=O"]
["29619166","O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1C1=CS(=O)c2ccccc21"]
["78493884","CS(C)(C)#S(C)(C)[SH](C)(C)(C)C"]
["166897500","CS(=O)(=O)CCC(=O)CCl"]
["154648480","CS(C)(C)C1CCC(O)CC1"]
["170106571","CCCS(C)(C)Cl"]
["169895544","CN(C)S(=O)(=O)CCC(=O)CCl"]
["68109005","C#CS(C)(C)C"]
["185719998","CS(=O)(=O)C1(Cl)C=C(Br)C=CC1"]
["161620786","C[SH](C)(C)(C)S"]
["194225812","CS(=O)(=O)O.[He]"]
["198299101","CS(C)(C)C(=O)Cl"]
["191849286","CBr.CS(=O)(=O)O.OB(O)O"]
["176822237","CC(C)(C)S(O)(O)Cl"]
["45539341","O=S(=O)([O-])CCCC[NH+]1C(=CC2=[S+]c3ccc(Cl)cc3[N+]23CCCC3S(=O)(=O)[O-])[SH+]c2ccc(Cl)cc21"]
["147870528","C=CCOC(=O)c1c(F)c(F)c(SCCS(=O)(=O)[O-])c(F)c1-c1c2cc3c4c(c2[o+]c2c5c6c(cc12)C=CC(C)(C)[NH+]6CCC5)CCCN4C(C)(C)C=C3"]
["23208710","CCOC(=O)C1CCC(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)c(C)c2)CC1"]
["83631543","COc1ccc(Cl)cc1C=C1C(O)C2CC[NH+]1CC2"]
["66361640","O=S(=O)([O-])CCCCn1c(C=CC=C2C=Cc3cc[n-]c3N2CCCCS(=O)(=O)O)ccc2ccnc1-2"]
["18251083","CCOC(=O)Cn1/c(=N/C(=O)C2CCCCC2)sc2cc(Cl)ccc21"]
["109070818","CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O"]
["77567507","O=C1CC(CN2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)[NH2+]C2CCC(Cl)CN12"]
["11240397","O=C(N1CCC(n2cccc2)CC1)C1(c2cccc(Cl)c2)CCC1"]
["7610791","COCCN(C1CC[NH+](CCc2ccc(Cl)cc2)CC1)S(=O)(=O)c1cccc(OC)c1"]
["1375306","C[C@@H](OC(=O)c1cc(Cl)ccc1Cl)C(O)=N[C@H]1CCCC[C@@H]1C"]
["174532432","CC(C)C[C@H](N=C(O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(CBr)cc1)C(O)=N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1"]
["145559449","CCSC(C)C(C)SC(CC)C(C)SC(C)CS[C@@H](C(C)SC(C)C(C)SC(C)C)C(CC)SC(C)C(C)SCC"]
["51276453","CCCCSC(C)SC(C)C"]
["97917218","CCSC[C@H](SCC)[C@@H](SCC)c1cc(OC)c(O)c(OC)c1"]
["95400579","CCC(NC)c1csc(CSC(C)C)n1"]
["43585371","CCC(CC)NCC(C)SCC(C)C"]
["172762446","CCC(CSSSSCC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC"]
["173042829","CCCCC(C)SCC(S)CC"]
["48543502","COC(OC)C(C)SC(C)C"]
["85219081","CCNC(CSC(C)CC)c1cc(C)cc(F)c1"]
["172547827","CC(C)SCC(CCN)C(C)C"]
["66261549","CCC(C)CSC(C)CCO"]
["70219230","CCS[C@@H](C)[C@@H](CC)[C@H](N)CC(=O)O"]
["51940993","CC1(C)CC(OP2(OC3CC(C)(C)[N+](=O)C(C)(C)C3)=NP(OC3CCNCC3)N=P(OC3CC[N+](=O)CC3)(OC3CC(C)(C)[N+](=O)C(C)(C)C3)[N-]2)CC(C)(C)N1[O-]"]
["146061135","Cc1cccc(C(=O)N(C)C2CCNCC2)n1.Cl.Cl"]
["187666131","CC1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCNCC3)cc2O1"]
["90113412","c1cc2cc(C3CCNCC3)sc2cn1"]
["106376072","Cc1cc(C)c([C@@H](C)OC2CCNCC2)cc1C"]
["82707999","COC1CC2NC(C(OC3CCNCC3)c3ccccc3S(=O)(=O)N(C)C)N=C(O)C2C(OC)C1OC"]
["28459300","COc1ccc(C(=O)O)c2cc(C(C)OC3CCNCC3)oc12"]
["146436650","COc1cc(C)c(S(=O)(=O)N(C)C2CCNCC2)cc1C"]
["26964270","CC(=O)N1C(C)(C)CC(OC(=O)C(CCC#N)(CCC#N)C(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C"]
["169655199","O=C(CCN=c1n[n+]([O-])c2cc(F)c(Cl)cc2n1[O-])OC1CCNC1"]
["28945542","Cl.Fc1ccc(F)c(-n2nc(OC3CCNCC3)c3cc(F)ccc32)c1"]
["157948454","Cn1ncc(CC(=O)C2CCNCC2)n1"]
["110903773","FC(F)(F)C1=C[O+]=C(C(F)(F)F)C1=C=C1C(C(F)(F)F)=COC1C(F)(F)F"]
["91209053","FC(F)(F)C1=C(C(F)(F)F)[As]2C=CC1C=C2"]
["120109623","CC1CCCC(c2ccc(C(F)(F)F)c(F)c2)N1"]
["182584839","NC1OC=CC=C1C(F)(F)F"]
["114183471","NCC1CCCC1c1ccc(C(F)(F)F)c(F)c1"]
["CSSS02464369471","Cc1occ(C(F)(F)F)c1CCNC1C[C@@H]2C[C@@H]2C1"]
["169129811","Cc1ccc2c(c1)C=C(C#N)C(C(F)(F)F)O2"]
["MCULE-1057646123","OC(=Nc1nnc(C(F)(F)F)o1)c1cnoc1"]
["120754485","C#CCNCC1=N/C(=C2/C=CC(=O)C(C(F)(F)F)=C2)NO1"]
["78087975","O=C1OB(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1=O"]
["172393340","C[C@H]1CN[C@H]2c3cc(F)c(C(F)(F)F)cc3O[C@H]2C1.Cl"]
["169079237","CCOC1=C(C#N)C(c2ccc(C(F)(F)F)c(F)c2)C(C#N)=C(N)O1"]
["166399670","Bc1c(F)c(F)c(OC2(B)C(B)(B)NC2(B)B)c(F)c1F"]
["79360712","Bc1c(F)cc(OC)c(-c2c(F)c(F)c(C)c(F)c2F)c1F"]
["167305513","C/C([N+]#N)=C(\\[O-])Oc1c(F)c(F)c(F)c(F)c1F"]
["78341909","Bc1c(F)c(F)c2nc(F)c(F)c(F)c2c1F"]
["100690888","CC#CC#CC#CC#CC#CC#CC#COc1c(F)c(F)c(C(=O)OC)c(F)c1F"]
["44113099","O=C(O)C(Oc1c(F)c(F)c(F)c(F)c1F)C1CC1"]
["186690117","COc1ccc(SC)c(F)c1SC"]
["166399661","BC1(B)NC(B)(B)C1(B)Oc1cc(F)cc(F)c1"]
["145040247","COc1c(Br)cc(F)c(F)c1C(C)C(=O)O"]
["79362142","Bc1c(F)c(OC)c(F)c(-c2cc(F)cc(F)c2C)c1F"]
["121002169","NCC1(COc2c(F)c(F)c(F)c(F)c2F)CC1"]
["166399566","Bc1c(F)c(B)c(OC2C(B)(B)NC2(B)B)c(B)c1F"]
["145289328","CCC(CO)(CN(CCN(CCN(CC(CC)(CO)[N+](=O)O)CC1(CC)COO[N+]1=O)C1(CC)COO[N+]1=O)CC(CC)(CO)[N+](=O)[O-])[N+](=O)[O-]"]
["CNP0346225.1","C=C1[C@@H]2CC(=O)[C@H]3C45C=CC[C@@](C)(CO)[C@H]4[C@H](O)C(O)(OC5)[C@]3(C2)[C@@H]1O"]
["43885800","[2H]C([2H])(O)C(CO)([N+](=O)[O-])C([2H])([2H])O"]
["95486853","CC1(C)CN(Cc2ccc([N+](=O)[O-])o2)CC(CO)O1"]
["69497252","CC[Si](CC)(CC)OC(CC(O[Si](CC)(CC)CC)C1(CO)COC(C)(C)OC1)C1=CC(=O)OC1"]
["160288294","CCC(O)(Br)[N+](=O)[O-].O=[N+]([O-])C(Br)(CO)CO"]
["124822753","CCN(CC)CCCC1CCN(C(O)=NCc2ccc([N+](=O)[O-])cc2)CC1"]
["6202964","CCN(CC)CCN(C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1[nH+]c2c(C)c(Cl)ccc2s1"]
["104502860","C=C1C(=O)O[C@@H]2[C@@H]3C(C)=CC[C@H]3[C@]3(CO3)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12"]
["52248955","CCOC(C)OC1CC(=O)C2(CO)OCOC2(C)C1C"]
["185326946","CC1=CC=C(C2CC(CO)([N+](=O)[O-])CO2)C(C)C1"]
["74226937","CCN(CC)CCN(CCN)c1c(NO)cc(C(F)(F)F)cc1[N+](=O)[O-]"]
["175918250","[B+]=C1[N-]C(OC(C)C)=C(OC)C(OC(C)C)=C1OC(C)C"]
["66411554","CNC(c1ccc(OC)c(Cl)c1)C(C)C(C)C"]
["47471558","COCc1cc(Cl)c2c(OC)c(Cl)cc(OC)c2n1"]
["96546900","COCO[C@H](C#Cc1cc(OC)c(OC)c(OC)c1)c1cc(Br)ccc1Cl"]
["3201552","COc1ccccc1C[NH+]=C(O)[C@H](C(C)C)N1CCCC1"]
["105087158","CC(C)Oc1ccc(C[C@@H](CN)c2ccccc2)cc1"]
["96041181","COCC(C)CC(=O)Cc1ccncc1"]
["143048295","CC(Oc1cccc(F)c1)C(=O)N(C)Cc1ccc(F)c(F)c1"]
["97468127","COC[C@@H](N[C@H](c1ccccc1)C(C)C)C(C)C"]
["6328638","COc1cc(OC)c(N2C[C@H](C(=O)OC(C)C)CC2=O)cc1Cl"]
["128052110","COCCN=C(O)[C@H](CC(C)C)N=C(O)C=Cc1ccccc1Cl"]
["MCULE-7664959854","COc1ccc(CNC2=C(c3ccc(OC(C)C)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1"]
["91312708","C12=C3C45C6=C(C14)C2C365"]
["97217132","C12=C3C4C5=C1C1=C6C5C57C8C9=C%10C%11=C%12C9C45C45C3C3=C2C1=C1C3C42C3C(=C%11C4=C3C(C8=C%104)C72C61)C%125"]
["59996293","CC12C3C(=O)C1C32C"]
["73575868","FC1C(F)C1(F)F.N"]
["175710194","C12=C3C4C1C1C2C3C41.[Be].[Cu]"]
["91205464","C1C2C3=C4C2CC4C13"]
["70502348","CCCCC1N=C(S)NC(S)=N1"]
["51086285","CC1=CC1(C)C.N"]
["176076451","N#CC12C3C4C5=C([C@H]41)[C@H]2C53"]
["81780632","C[C@@H]1SS[C@@H](C)C1=O.C[C@H]1SS[C@H](C)C1=O"]
["180742025","CC1C2=C1C(C=O)OC2=O"]
["179836323","CC1=C2C3=C(C)CC(C)(C1)C23"]
["173894841","[B+]=c1cccc2c1=[O+]c1c-2c(N([O-])[O-])c(I)c2ccccc12"]
["117055295","CC(O)=N[C@H]1CCN(Cc2cccc3ccccc23)CC[C@@H]1O"]
["169620471","FC(F)(F)C(F)(N(c1ccc(Cl)cc1)c1c2ccccc2nc2ccccc12)C(F)(F)F"]
["120813915","N#Cc1cc(=N)[nH]c(-c2cccc3ccccc23)n1"]
["2650049","CC(=O)c1cnc2ccccc2c1C(=O)[O-]"]
["8760790","C#CCN1CCN(c2ccccc2N=C(O)CSc2nnc(-c3cccc4ccccc34)o2)CC1"]
["MCULE-1577486463","C=CCNC1=C(c2cccc3ccccc23)C(=O)N(CCCN(C)C)C1=O"]
["32028534","CN(C)CCOC(=O)c1c2c(c3ccccc3c1OCCN(C)C)-c1ccccc1C2=O"]
["183948317","N=C(O)c1c(I)nc2ccccc2c1O"]
["190165793","Brc1c2ccccc2c2c3c(cccc13)-c1cc3ccccc3cc1-2.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c3c4c(cccc24)-c2cc4ccccc4cc2-3)cc1"]
["MCULE-4685465292","Cc1cccc(-c2cc(=O)n3nc(C)c(I)c3[nH]2)c1C"]
["174009019","C[B+]NS([O])([O-])c1cccc2ccccc12"]
["97149526","C1=c2c3c(c4c(c2=C[SiH2]1)=C[SiH2]C=4)=C[SiH2]C=3"]
["90998534","NNS(=O)(=O)Nc1ccc(NS(=O)(=O)NN)cc1"]
["97103295","CC1=C/C(=C2/C=C(C)C3=C2OCCO3)C2=C1OCCO2"]
["12350306","[2H]C#Cc1ccc(C#C[2H])cc1"]
["197337069","OC1(c2n[nH]cc2Br)CNC1"]
["52806949","CC1CC(C)C(c2ccccc2)SC1c1ccccc1"]
["173046565","CC1=C[B]C=C1C"]
["183802797","N=C=C1C=NC(=O)C1=O"]
["44708769","Cn1cc(O)c(O)c1"]
["74283920","C=C1C=C(C)[C](C)S1"]
["180005343","CC1=CCC(S)C=C1F"]
["26805503","NN=c1c(Br)c[nH]cc1Br"]
["175593552","CC.CC(C)=C/C=C(\\C)C(C)/C=C\\C(C)C#CC(C)CCC(C)C(C)CCC(C)C"]
["88552826","CCCC(N)C(C)CCC(C)C"]
["187867415","COC(C)C(/C=C(/C)[C@@H](C)N)CCC(C)C"]
["132522453","CC(=O)N1CCN(C(=O)C(C)SCCC(C)C)CC1"]
["99844017","CN=CN(CC(C)O)C(C)=O"]
["99036881","CCC(C)=CC(C)C(C)CCC(=N)C(C)CC"]
["85325986","CCC(N)(CC)C(O)=NCCCC(C)C"]
["34170683","CCCCCCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/CCC(C)C"]
["181064578","CCNC(C)=CC(C)=NCC(C)C"]
["42192184","CCN(CC(C)C#N)C(C)C(O)=NCCC(C)C"]
["166809805","CCC(C)OC(C=C(C)CCCC(C)C)OC(C)CC"]
["588673","CCC[C@@H](O)C1=C(Br)/C(=C/I)OC1=O"]
["172733566","CS(=O)(=O)S(=C1C=CC(=C2C=CC(=Ic3ccc(-c4ccc([S+](S(C)(=O)=O)S(C)(=O)=O)cc4)cc3)C=C2)C=C1)S(C)(=O)=O"]
["30373392","CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(S(C)(=O)=O)nn23)c1"]
["33599702","CCC(N=C(O)NNS(=O)(=O)c1ccc(-c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F"]
["52064322","CN1/C(=C2/C=CC(=O)N=C2)Nc2ccccc21"]
["145250845","CC1(C)OB(c2ccc(-c3ccc(N=S(C)(C)=O)cc3)cc2)OC1(C)C"]
["117589830","C#CCn1c(C(C)C)nc2scc(-c3ccc(-c4ccccc4)cc3)c2c1=O"]
["23478891","C=NC=O.OB(O)c1cc(-c2ccccc2)ccc1F"]
["18622972","Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1"]
["MCULE-9818052375","Cn1cc(-c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)c(C(F)(F)F)c2)c(C(F)(F)F)n1"]
["129545578","O=S(=O)(Cc1nc(-c2ccc(-c3ccccc3)cc2)no1)C1CCCC1"]
["128101167","CCN(C(=O)[C@H](C)c1ccccc1)C(C)CS(C)(=O)=O"]
["140819604","CC(C)CS(=O)(=O)CCC(O)=NCC(O)c1ccc(-c2ccccc2)cc1"]
["200289297","[CH+]=C[N-]C1=CCN(S)C1.[W]"]
["183780208","NC1(c2ccn(S)n2)CC1"]
["105609103","C[C@@H](CN1Cc2ccccc2C1)C(=N)S"]
["180084236","C[B]C1=CCN(P)C1"]
["175732318","C=CC(=C(C)C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC"]
["99055851","C=C1CN2CC(=C)c3cccc1c32.C=CC"]
["58040722","CC1=CCSC2/C(=C\\c3ccccn3)C(=O)N12"]
["65220941","CC1=CC2CN(C)N=C2C=C1"]
["100803462","BC1=CCN(BC=O)CC1"]
["98356260","S=C1CC=CC(S)S1"]
["175452144","C=CC1=CCN(CCOCC)C=C1"]
["183003399","CN1C=CC(OC=O)=CC1"]
["97443878","CN1COB(C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)OB1C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C"]
["172697258","CC1(C)OB(n2ccc(C(F)(F)F)n2)OC1(C)C"]
["172584184","C[B]c1ccc(-c2nc(C(F)(F)F)cn2C2CC2)nc1OC"]
["MCULE-6722372722","CN1CCCCC1n1nc(C(=O)O)c(N)c1C(F)(F)F"]
["184983008","[CH2+]C1CCN(C)C(C)=N1"]
["150183549","CC(O)(C1OCCC(O)C1O)C(F)(F)F"]
["75004577","CN1CCC(C(F)(F)[F+])CC1"]
["52741533","Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCOC(C(F)(F)F)C1"]
["162376609","Cn1cnc(C(C)(O)C2CC2)c1"]
["66237137","Cn1nnnc1SC1COCCC1N"]
["MCULE-1290901267","CC1CCc2c1c(I)nn2C"]
["120273215","CCC1OCCC1CNCc1nnc(C)n1C"]
["172102478","C1=C2C=CCC=1C1=CN(CCCCCCCCCCCCn3cc(nn3)C3=[C-]C(=CC=[C+]3)O2)[N-][N-]1.[Pt+2]"]
["177971238","C=CC(=O)N1C/C=C/C(C)S(=O)(=O)C(C)C(=O)OCCCCCCn2cc(nn2)COC(=O)c2ccc(cc2)S1(=O)=O"]
["172948672","O=C(c1cc(F)ccc1I)N1CCCC[C@H]1Cn1cc(-c2ccc(F)cn2)cn1"]
["51305651","[CH-]=C1C=CC=C(CC2=C=CCC=[C+]2)[N-]1.[Fe]"]
["149859494","CC(C)(C)c1cc(OC(=O)C2CCCCCN2c2ccc(Cl)cc2)no1"]
["172102479","CCCCCCn1cc(C2=C=C(OC3=CC=[C+]C(C4=CN(C)[N-][N-]4)=[C-]3)C=CC2)nn1.[Pt+2]"]
["194572470","Cc1cccc(C)c1C1=CC(OC2=CC=[C+]C(C3(c4ccccn4)c4ccccc4Oc4ccccc43)=[C-]2)=C=C(N2C=C(c3c(C(C)C)cccc3C(C)C)[N-][N-]2)C1.[Pt+2]"]
["196522605","CC1=c2c(sc3cc(CC(C)(C)C)ccc23)=C(C2=C=C(OC3=CC=[C+]C(c4cc(C(C)(C)C)ccn4)=[C-]3)C=CC2)[N-][N-]1.[Pt+2]"]
["187036467","CC1=C=C(C[N-]c2ccc(Oc3ccc([N-]CC4=CC=[C+]C(C)=[C-]4)c(-c4ncc[n-]4)c3)cc2-c2ncc[n-]2)C=CC1.[Al+2].[Al+2]"]
["66847566","CC1(C)C2=C=C(C=CC2)N=C2N=CC(=N2)C(C)(C)C2=[C-]C(=CC=[C+]2)N=C2[N-]C=C1[N-]2.[Pt+2]"]
["57488306","CC1CC2C(C3CCCCC3)=CC=CC2C1[Si](C)(C)N1CNCNC1"]
["34195292","CC(C)(C)c1cc2c3[nH]c4c(ccc5c6cc(C(C)(C)C)cc(c6[nH]c54)-c4cn(nn4)CCOCCOc4cccc(c4)OCCOCCn4cc(nn4)-c4cc(C(C)(C)C)cc5c4[nH]c4c5ccc5c6cc(C(C)(C)C)cc(c6[nH]c54)-c4cn(nn4)CCOCCOc4cccc(c4)OCCOCCn4cc-2nn4)c3c1"]
["176408057","N=C(O)C1CI=[N+]2[N-][CH+][N-][C-]12"]
["24548407","N=C(O)C1CCCO1"]
["161042412","N=C(O)C1CCC(CN=C(O)N2CCC(C3CC3)C2)CC1"]
["199912023","CC(C)C1CC(C(C)C)CN(C(=N)O)C1"]
["89576586","N=C(O)[C@H]1CNC[C@@H]1C(=O)O"]
["176148816","N=C(O)N1CC2CC(C1)N2"]
["73651912","N=C(O)C1[CH]CNCC1"]
["173753300","C[C@@H](C(F)(F)F)C1(C(=N)O)NC=C2C=NCC(C(=N)O)N21"]
["173101060","N=C(O)C1CC2C(=O)C2c2ccccc21"]
["95277735","CC(C)(C(=N)S)C(O)=NCCN=C(O)C1CC1"]
["162038391","N=C(O)C1CC2CCCC2C1"]
["98017611","N=C(O)[C@H]1CCN1"]
["191304253","C1=C2c3ccncc3C3=[N+]2C24n5c1c1ccncc1c5C=C1c5ccncc5C(=[N+]12)C=c1c2cnccc2c(n14)=C3.C1=C2c3ncccc3C3=[N+]2C24n5c(c6cccnc6c5C=c5c6cccnc6c(n52)=C3)C=C2c3ncccc3C1=[N+]24"]
["32567955","O=Cc1nccc2c1oc1ccncc12"]
["92475162","O=C(O)C1CNCCN1Cc1ccc(Cl)c2cccnc12"]
["94354537","CCNC(CO)c1ccc(Cl)c2cccnc12"]
["MCULE-5144789665","CS(=O)(=O)CC(O)=Nc1ccc(-c2cccc3cnccc23)cn1"]
["85944895","Nc1ccc(C(O)=Nc2cccc3ccncc23)c(Cl)c1"]
["141158965","C=CCN(CC=C)S(=O)(=O)c1c[nH]c2ncccc12"]
["98276503","CCNS(=O)(=O)N(C)c1c2cccnc2c(O)c2c(O)n(Cc3ccc(F)cc3)cc12"]
["176433825","O=P1(c2ccccc2)c2ccccc2C=C(c2ccccc2)N1c1cccc2cccnc12"]
["MCULE-2754735616","CC(=O)c1cccc(C(O)=Nc2cnccc2-c2cccc3cccnc23)c1"]
["46199157","O=C(O)c1cn(Cc2ccc(F)c3cccnc23)nn1"]
["MCULE-9652026516","O=C1COCC(C(O)=NCc2cncc(-c3cccc4cccnc34)c2)N1Cc1ccccc1"]
["194298313","CCSCSCN(C)CC.CCS[B]SCN(C)CC"]
["166514376","CCN(C)C(=O)C1(C)CCN=C(O)C1"]
["42899948","CCN(C)CC(F)(F)F"]
["144291911","CCSCCC(C)N(C)Cc1scnc1C"]
["79039977","CCN(C)CCN[SiH](NC)NC"]
["190536532","CCC(C)c1ccccc1.CC[N+](C)(C)CN(C)C"]
["93471129","CCCNCCN(C)CCSC(F)(F)F"]
["162070595","CCCNC(=N)NC(=N)N(C)C"]
["161997355","CCN(C)CCC(C)SC"]
["132910954","CCSC1CCC(N(C)CCC(=O)N(C)CC)C1"]
["142838943","CCSCCC(C)N(C)CC(=O)OC"]
["26146149","CCSCC(C)O"]
["171940614","CC1=[C-]C(C)([Si-]=C2C=C[C+](c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)C=C2c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)C(C)=C1C.[Ti]"]
["78390837","CC1=[C]C(C)([Si](c2ccccc2)(c2cc(C)cc([Si](C)(C)C)c2)c2ccc(C)cc2C)C(C)=C1C"]
["46979492","CC1=Cc2c(Br)cc([Si](C)(C)C)cc2C1C(C)(C)C1C(C)=Cc2c(Br)cc([Si](C)(C)C)cc21"]
["173473629","CCC(C)[Si](c1ccccc1)(c1cc(C)cc([Si](C)(C)C)c1)C1(C)C=C(C)C(C)=C1C"]
["172852739","Cc1ccc2cc(C(C)C)c[c-]2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.[Zr]"]
["172117032","Cc1cc2oc3cc(-c4ccc([Si](C)(C)C)cc4)ccc3c2cc1-c1cc([Si](C)(C)C)c(-c2ccc([Si](C)(C)C)cc2)c[n+]1C"]
["108374948","CCn1c(SCC(O)=NCc2ccco2)nnc1[C@@]1(C)COc2ccccc2O1"]
["MCULE-8114971139","Cc1ncc(N=C(O)c2cocn2)cc1-c1cccc(S(C)(=O)=O)c1"]
["33076197","C[Si](C)(C)c1ccc2c(c1)CC(CO)(CO)C2"]
["82531840","CC1=C(c2ccc(Cl)c(Cl)c2)CC2CCC1(C)N2"]
["108393838","Cn1c(SCC(O)=NCc2ccco2)nnc1[C@@]1(C)COc2ccccc2O1"]
["43710515","COCC(C)(c1ccc(-c2cnc(=N)[nH]c2)cc1)c1cn(C)c2ncccc12"]
["179920374","C1C2C3I2CC32CI1C2"]
["162270589","CNC1CCC2(CC1)CC2NC"]
["73479984","CCC1C2I1CCCC21CCCC1"]
["149872155","CCC1CC(C)C(C)C1(C)C"]
["170484261","Br[C@@H]1[C@H](Br)[C@@H]2C[C@H]1[C@@H](Br)C2(Br)Br"]
["90080988","CNC1CC12CS(=O)(=O)C2"]
["176328152","CCC1CC2(CC2)C1NC"]
["195295004","C1CI2CC3CC1C32"]
["184356756","C[I-]1(C)CCCI2C3CCC1C32"]
["169242862","O=[C]NC1CC12CC2"]
["171658854","CCC1[C@H]2CI12"]
["144847974","CN1CC(c2ccc(CON)cc2)C1"]
["193889612","[2H]C([2H])([2H])c1cc(C)c(-c2ccc(C([2H])(C)C([2H])([2H])[2H])c[n+]2C)cc1C.[2H]C([2H])([2H])c1ccc(-c2cc(C)c(C([2H])(C)C([2H])([2H])[2H])cc2C)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C)c(C([2H])([2H])C([2H])([2H])[2H])cc2C)[n+](C)c1"]
["MCULE-7171283717","Cc1ccc(C(n2nc(C3(C)CC3)c(C#N)c2Br)C(C)(C)C)c(C)c1"]
["158883160","Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1"]
["112753747","CCSC1CCCC1NC(C)c1cc(C)ccc1C"]
["53841515","Cc1ccc(C)c(C(C)N=C(O)COCC(=O)O)c1"]
["60100426","COc1cc(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc(OC)c1C"]
["87820867","Cc1ccc(C(O)C(NCCC(=O)O)C(C)C)cc1C"]
["128665834","Cc1cc(C)c(CNCc2nc(N(C)C)no2)cc1C"]
["194252908","[2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2oc2ncccc23)c1.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2ncccc23)cc1C.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2oc2ncccc23)[n+](C)c1"]
["55363584","CCC(C)CN(C)C(CN)c1ccc(C)cc1C"]
["198133580","[2H]C([2H])([2H])c1cc(C)c(-c2ccc(C([2H])([2H])C(C)(C)C)c[n+]2C)cc1-c1cccc2oc3ccccc3c12"]
["105191221","COC[C@H](C)N(C)[C@@H](CN)c1ccc(C)cc1C"]
["97397733","Cn1c(=O)c2c3c(oc2n(C)c1=O)=C=c1c(oc2c1c(=[O+])n(C)c(=O)n2C)=CC=3"]
["196022524","Cn1c(N2CCOCC2)c(O)c(=O)n(C)c1=O"]
["97209996","CC(O)=N/N=C/c1c(N)n(C)c(=O)n(C)c1=O"]
["102813154","C[C@H]1[C@@H](OC(=O)/C=C\\c2cn(C)c(=O)n(C)c2=O)C[C@@H]2C[C@@H]1C2(C)C"]
["138874274","CN1CCC(N=C(O)c2ccc3c(c2)nnn3C)C1=O"]
["186599617","Cn1c2c(c(=O)n(C)c1=O)CCC(CC1CO1)C=N2"]
["136106888","CC(NCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)c1ncc(-c2ccccc2)o1"]
["179075741","Cn1c(=O)c2c(-c3cc(F)ccc3Br)c(C3=NC3)c(N3CCOCC3)nc2n(C)c1=O"]
["158792055","CCN1CCC[C@H](N=C(O)c2cnc(O)n(C)c2=O)C1"]
["134816146","Cc1cc2cc(C(=O)N3CCN(C4CC4)CC3)oc2cc1C"]
["MCULE-7996345061","CC(O)=NC1CC(c2cc3c(cc2C)n(C)c(=O)n3C)OC2CCCCC12"]
["129979976","CCCN(C)C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C"]
["178504226","C=CPCCN([NH3+])CCPCC"]
["150227057","CCC(/C=C\\C(C)=N)N(C)CCOC"]
["178941175","C=CN(CC)/N=C/N(C)C"]
["185482794","C=COCCN(CCOCC)CCOCC"]
["48043976","C=CC(NCC)C(C)CC"]
["87328011","C=CCN(CCC)CC(C)CNC(C)C"]
["113361361","C=CCN(CCC)S(=O)(=O)c1c(Br)nnn1C"]
["144271806","CCn1c(C)nnc1CN(CC(F)F)C(C)C"]
["178664387","C=CC/C=C(/C(=O)N(C)CC)C(C)=C(C)C"]
["174474366","C/C=C\\C(N)=C(/CC)OCCN(C)C"]
["48564813","C=CC(CC)CC.C=CCC(C)(C)C"]
["105218822","C=CC(=O)N(C)C[C@@H](C)C(=O)O"]
["195486133","FC1=CC(c2ccc(C3OCC(I)CO3)cc2)CC(F)=C1F"]
["120060153","O=S(=O)(CCCCl)Nc1ccc(C2OCCO2)cc1"]
["97048530","O[C@H]1[C@@H]2OC(c3cccc(Cl)c3)OC[C@H]1OC(c1cccc(Cl)c1)OC[C@@H]2O"]
["161424818","C(=Nc1ccc(-c2ccc(C3OCCCO3)cc2)cc1)c1ccccc1"]
["169132939","COc1cc(C2OC[C@H]3C(c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O"]
["64574557","CC1CCC(c2cc3c(c(F)c2F)CC(C)OC3)CC1"]
["87628732","CC(=O)c1ccc(F)c(N=C(O)C2CCCO2)c1"]
["27625279","CCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)cc3F)cc2)c(F)c1F"]
["155697431","O=C1C[C@H](c2cc(F)cc(I)c2)Oc2c1ccc1c2CCCC1"]
["16019402","CC(O)=N[C@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Sc1ccccc1"]
["172398046","CN1CCN(c2ccc([C@H]3CNCCO3)cc2)CC1"]
["23468638","O=C(c1ccc(C2OCCO2)cc1)C1CCCC1"]
["180077548","C[C-]=C(F)[CH-]C=C=C1COCC1=[C-][CH-]C=C=C(O)OC.[CH3-].[Rh]"]
["179987273","C=C/C(=C\\c1cc([N+](=CC#N)c2cc(OC)cc(OC)c2)ccc1C)c1cnn(C)c1"]
["173888381","CN=CC(=CN)c1nc(NC2CCOC[C@@H]2N)c(F)c2c1C(O)=NC2"]
["136097928","COc1cccc(CN=C(O)NCC(c2ccc(F)cc2)N2CCOCC2)n1"]
["49661266","COc1ccccc1/C=C/C(O)=NC1(C(=O)O)CCOC1"]
["115740050","COc1ccc(OC)c(N=C(O)/C(C#N)=C\\NCc2cccc(F)c2)c1"]
["141838074","COc1ccc(N=C(O)C(F)=C(C)C)cc1OCC(O)=NC1CC1"]
["123667734","CCCN(CC1=Cc2ccccc2OC1)CC(O)=Nc1ccccc1OC"]
["192170693","C[C-]=C1CN(C(C)C)COC1=C=CC.[W]"]
["150616567","CONc1cnc(NC(O)=NCc2ccccc2Br)s1"]
["12811692","COc1ccc(NCCc2ccc(NC[C@@H]3CC(=O)OC34CCCCC4)cc2)cc1"]
["49974269","COc1ccc(/C=C(/C#[NH+])C(O)=NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1"]
["91186095","CC(C)(C)[Si+](NN[Si-](C(C)(C)C)C(C)(C)C)C(C)(C)C"]
["178189964","CC(C)(C)NC1=NC(=O)C(C)(C)CC1(C)C"]
["91540454","CC(C)(C)[Si](C(C)(C)C)=[Si-]([Si+](C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["97423966","CC(C)(C)NP(Cl)P(Cl)NC(C)(C)C"]
["171919469","CCC[NH+](C)C(C)(C)C"]
["189891641","C[CH-]C(C)(C)C.[K+]"]
["43772747","[3H]ONC(=N)C(C)(C)C"]
["179039293","C=[N+](C)CCC(C)(C)I"]
["185994553","[CH2-]CC[CH-]CNC(C)(C)C.[Y]"]
["44540852","CNCC(C)(O)C(=O)O"]
["173550117","CN/C=C(/CC(C)(C)[Si+](CC(C)C)C(C)(C)C)C(=N)N"]
["175552244","CC(C)(CO)N=C(O)C1CCC(C2CC2)CC1"]
["102897839","c1nc(Nc2ncnc(=Nc3nc[nH+]c[nH+]3)[nH]2)[nH]c(=Nc2nc[nH+]cn2)n1"]
["184188763","Cc1cccc(N=c2ncnc(N3c4ccccc4N(C)C3N)[nH]2)c1"]
["184595538","C=COc1cc(O)cc(Nc2ncnc(=Nc3cccc(Cl)c3)[nH]2)c1"]
["2907784","OC(=NNc1ncnc2[nH]cnc12)[C@@H]1CCC[NH2+]C1"]
["106902556","Nc1c2ncnc-2[nH]c2[n+]1CCC2"]
["29419407","COc1cc(N=c2ncnc(-n3c(=N)[nH]c4ccccc43)[nH]2)cc(OC)c1"]
["192066202","C.CC(C)(C)c1cc(N=c2ccnc(Cl)[nH]2)n[nH]1.COc1cc(Nc2nccc(=Nc3cc(C(C)(C)C)[nH]n3)[nH]2)cc(OC)c1OC"]
["82514557","CC(O)CC(O)=Nc1cccc(N=c2ncnc(N3CCC(c4ccc(C#N)cc4)CC3)[nH]2)c1"]
["57496881","COCCOc1ccc(Nc2ncnc(=Nc3ccc(C)c(O)c3)[nH]2)cc1OC"]
["96454161","Cc1ncc(=Nc2ccc(N)cc2)[nH]c1C"]
["29574251","CC(O)=Nc1cccc(Nc2ncnc(=NCCOc3cccc(F)c3)[nH]2)c1C"]
["187043991","COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(=Nc2ccc(F)c(F)c2C(C)(C)O)[nH]1"]
["179475566","[CH2+]CN(C=c1cc([C-]2C=CC3=C([NH-])CCC3=C2)c(=C2C=C[N-]C=C2)o1)CC.[U+2]"]
["MCULE-6246603189","CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O"]
["81459949","[C+]#[N+]c1ccc([CH-]C(N)C(O)=NC2=CCC(=C3C=C[N-]C=C3)C=C2)cc1"]
["180029619","COCCN1CCC(NCc2cc(=C3C=C[N-]C=C3)c(=c3ccc4c(c3)CCC=4[N-][I+]O)o2)CC1"]
["107085475","CCN(CC)CCCN1CC[C@@H](CNc2ccc(C(C)C)c(C)c2)C1"]
["175598015","BrC1=CC2C(=C3C=C[N-]C=C3)N=NC2CC=C1.[Tl+]"]
["82185565","CCN(CC)C(=O)COC1CNCC(OCc2ccc3c(c2)N(CCCOC)CCO3)C1c1ccc(C(OC)C2CC2)cc1"]
["167186706","C=C[C@@H]1C[C@H](Cc2ccc(OC)c(OCOC)c2)[C@@H]2[C@H]1C(=C)CC[C@@H]2OC(C)=O"]
["107581858","CC[C@@H]1CNc2cc(C(=O)CCC(=O)OC)ccc2O1"]
["68625663","CCN(CCC#N)C(=O)c1nonc1N"]
["181318481","CCN1C2=NC(=N[N+]#N)N=CC2=CC(=C2C=C[N-]C=C2)C1N"]
["195596326","CCCCN(C=C1CC=CCC1)CCCC"]
["170552374","CO[Si](OC)(OC)C1=S2(S3(#SSSS#S4(S56(=C([Si](OC)(OC)OC)CC5)C=Nc5ccccc56)C=Nc5ccccc54)C=Nc4ccccc43)(C=Nc3ccccc32)CC1.[Si]"]
["17936447","C[C@H]1CCc2cc(F)ccc2N1C(=O)CCCC1=Nc2ccccc2S(=O)(=O)N1"]
["9662466","COc1ccc(S(=O)(=O)N2CCC(C(O)=NCc3ccccc3OC)CC2)cc1"]
["74055418","CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCCP(=O)(OCC)OCC)c(OC)cc2[C@@H](c2ccccc2)N1"]
["45437039","COc1ccccc1N(C(C)=O)c1nc(CSc2nnnn2-c2cccc(C)c2C)cs1"]
["MCULE-3961290179","COc1ccc(C=Cc2ccccc2)c(F)c1F"]
["14944040","Cc1cccc(C)c1OC(=O)[C@H]1CC(O)=Nc2ccccc21"]
["MCULE-6797020289","CSc1ncc(-c2cnn(C(C)C)c2)c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1"]
["MCULE-9527966262","CCOC(=O)N1CCN(C(=O)c2c3c(nc4ccccc24)CCN(CC)C3)CC1"]
["974157","COc1cc(C2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC"]
["151434523","CN1C(C(O)=Nc2ccccn2)=C(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c2ccccc2S1(=O)=O"]
["5825367","COc1ccc(N2C(=O)CC[C@@H](C(=O)OCc3csc(C)n3)[C@H]2c2ccccc2)cc1"]
["174040362","CC(C)(CCNOB1COCCO1)COB1OCCCO1"]
["166673062","CC(C)OCCC(C)(C)OC1CCCCO1"]
["109357573","CC(C)N[C@](C)(CCCO[C@H]1CCOC1)C(=O)O"]
["87146647","CCCNC(c1ccc(C(C)(C)C)s1)C1CCCOC1"]
["125998979","CC(C)C[C@H](NCC1CCOCC1)C(=O)OC(C)(C)C"]
["86533547","CCCNCCC(C)(C)CC1CCOCC1"]
["91746255","CCCNC(C1=COCCC1)C(C)(CC)OCC"]
["69116312","Cc1ccc(CNC2CCOCC2)c(OC(C)(C)C)c1"]
["113094475","CC(C)(CBr)COCCC1CCC1"]
["169833724","CC(C)NCCOCCC(C)(C)I"]
["113035956","CC(C)(CCCl)CN=C(O)C1COCCO1"]
["MCULE-2490580606","OCCCCCNCc1cccc(B2OCCCO2)c1"]
["176001053","Cc1cc(C=O)cc(C(/C=N\\F)=C/C=C/C(F)F)c1"]
["55524792","Cc1cc(C)n(N=Cc2ccc(C=Nn3c(C)cc(C)cc3=O)cc2)c(=O)c1"]
["MCULE-8762441925","CC(C)(C)c1cc(-c2ccc(C=O)s2)cc(C=O)c1O"]
["24782470","Cc1cc(C)c(N=C(O)c2ccccc2)c(C(=O)O)c1"]
["17284600","Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2N=C(O)c2cccc(F)c2)c(C)c1"]
["152852814","C=CCn1c(SCC(O)=Nc2cc(C)cc(C)c2)nnc1[C@H](CC(C)C)N=C(O)c1ccccc1Cl"]
["176214000","CCCCCCCOc1cc(C=O)cc(C=O)c1"]
["26989551","Cc1ccc(C(=O)c2c(C)cc3n2CCC3C(=O)OC(C)C)cc1"]
["MCULE-3532956982","Cc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)c(N=C(O)c2cncc(F)c2)c1"]
["MCULE-2848903608","CC(O)=NC(Cc1ccc(O)cc1)C(O)=Nc1c(C)cc(C)cc1C"]
["4032890","Cc1ccc(S[C@H](C)C(O)=Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1"]
["MCULE-9409830086","COc1cc(-c2cc(C)cc(O)c2)ccc1C(F)F"]
["150583139","BC1(B)c2nnnn2C(B)(B)C(B)(B)C(B)(B)C1(B)B"]
["112656923","CCNCc1nnnn1CC1(CC)CCC1"]
["111179943","Cn1nnnc1Sc1cc(Br)cc(C#N)c1"]
["85787849","CC(CC(=O)O)n1nnnc1C1(C)CCCC1"]
["112694192","Cc1ccc(N)c(-c2nnnn2C2(C)CCCOC2)c1"]
["159193752","C[C@@H]1C[C@@](N)(c2nnnn2C)CS1"]
["23623804","CN(C)CCCSc1nnnn1C.Cl"]
["45575584","Nn1nnnc1-c1nnnnc1-c1nnnn1N"]
["86679032","CCOCCc1nnnn1C1(C(=O)O)CCC1"]
["165194157","CCc1cc(F)c2c(c1)-n1nnnc1C(C)(C)O2"]
["192483909","CC1(C)Oc2ccc(N)cc2-n2nnnc21.CC1(C)Oc2ccc([N+](=O)[O-])cc2-n2nnnc21"]
["159117783","Cn1nnnc1[C@@H](O)C(C)(C)N"]
["51544379","O=C[C-]=CC=[C-]Br.[W+2]"]
["66179718","[CH-]=C(C)C(C)=[C-]C=O.[Y]"]
["MCULE-9144702670","O=Cc1cccc(-c2ccoc2C=O)c1F"]
["178933060","O=C[C-]=CC1C=CC(C=O)=CC1.[U]"]
["174790233","CC[C@@H]([CH-]C=O)CC[C-]=C(C)C.[Cr+2]"]
["61891456","[CH2-]C=O.[CH2-]O.[W+2]"]
["78222434","C[C@@H](Br)P(=O)(Cl)Cl"]
["184025985","O=Cc1occc1-c1ccc(CBr)cc1"]
["175380340","CC1[CH-]C[CH-]N1C=O.[Pa].[Rb+]"]
["78072266","C/C=C(Br)\\C=C/CC=O"]
["175290312","CN(C)C(=O)[C-]=CC=O.[Y]"]
["67626978","O=CC[14CH2]CC=O"]
["181827886","C1=[C-]C#CC=1.C[C-](C)C.[Pt+2]"]
["172044225","CC(C)(C)c1[c-]cccc1.C[C-](C)C.[Y]"]
["182804050","C[C-](C)C.[Cu+2].[c-]1ccccc1"]
["174749288","C[C-](C)c1ccccc1.[Fe]"]
["177393092","CC(C)(C)OC1=C=CC(F)C=[C-]1.[Br-].[Zn+2]"]
["60220523","C[C-](C)C.[Br-].[Mg+2]"]
["181451623","C[C-](C)C.C[CH-]C.[Cd+2]"]
["54249825","C1CC2CCC2[N-]1.C[C-](C)C.[U+2]"]
["177119500","C[C-](C)C.[Ca+2].[c-]1ccccc1"]
["179781189","CC1=C=C2C#CC=C12"]
["170659316","C[C-](C)C.[Ag+].[CH3-]"]
["172687166","C[C-](C)C.[CH3-].[Cu+2]"]
["193792308","[2H]c1c([2H])c(-c2noc(-c3c([2H])c([2H])c(OC([2H])(C)C)c([N+]#[C-])c3[2H])n2)c2c(c1[2H])[C@@H](NC([2H])([2H])C([2H])([2H])C)C([2H])([2H])C2([2H])[2H].[2H]c1c([2H])c(-c2noc(-c3c([2H])c([2H])c(OC([2H])(C)C)c([N+]#[C-])c3[2H])n2)c2c(c1[2H])[C@@]([2H])(NC([2H])([2H])CC)C([2H])([2H])C2([2H])[2H].[2H]c1c([2H])c(-c2noc(-c3c([2H])c([2H])c(OC([2H])(C)C)c([N+]#[C-])c3[2H])n2)c2c(c1[2H])[C@@]([2H])(NCCC)C([2H])([2H])C2([2H])[2H]"]
["49171629","[C-]#[N+]c1cc(-c2nc(-c3cccc4c3CC[C@@H]4N=C(O)OC(C)(C)C)no2)ccc1OC(C)C"]
["85483355","CCCNCc1cnc(C2CSCCO2)nc1"]
["42256228","[2H]c1c(F)c([2H])c2onc(C3CCN(CC(C)c4c(C)nc5n(c4=O)CC(C)(C)C(C)C5)C(C)(C)C3C)c2c1[2H]"]
["43191987","COc1ccc(-c2nc(C3CC(=O)N(c4cccc(C)c4)C3)no2)cc1"]
["105967806","CC(C)Oc1ccc(/C=C\\C(O)=NC[C@@H]2CCCO2)cc1N"]
["190534274","[C-]#[N+]c1cc(-c2nc(-c3cccc4c3CCC4NCCO)no2)ccc1O.[C-]#[N+]c1cc(-c2nc(-c3cccc4c3CCC4NCCO)no2)ccc1OC(C)C"]
["66693899","CCOc1ccccc1-c1noc(COc2c(Br)cccc2Br)n1"]
["106758033","Cc1nc([C@H]2CCCN(Cc3nc(C(C)C)no3)C2)cc(N2CCCC2)n1"]
["147482353","CCCC(CCC)C(=O)N1CC(c2nc(Cc3ccccc3OC)no2)C1"]
["MCULE-5691128574","CCOc1ccccc1-c1ccc2oc(N=C(O)c3ccc(C)c(-c4ccc(OC)cc4)c3)nc2c1"]
["127750828","CCCC(CCO)CN=C(O)Nc1c(C)noc1C1CC1"]
["178306132","O=[S+]([O-])([O-])CC[NH+]=C[OH2+]"]
["185402147","CC=CCC(C)([N+](=O)[O-])[N+](=O)[O-]"]
["96950258","CO[C@H](OCC(=O)[O-])C(=O)[O-].[Sr+2]"]
["78510539","C=CCC([C]=O)C=C"]
["159246965","N#COCOC=O"]
["79272022","CC[S+](=O)(CC)CC.[F-]"]
["79575880","O=C=[NH+]CCCN1[CH]C=CC1=O"]
["60001511","CCC[S+](=O)(CCC)ON=O"]
["190328653","C=C=[C-]C(C)(C)C.C=N[S+](=O)([O-])CCCS(O)(O)C(C)(C)C.[Y]"]
["172371013","[O-][P+](O)=CC[Si](O)(O)O"]
["184963134","C=CC/C=C\\C=C(/CC)[S+](N)(=O)[O-].[H+]"]
["199926427","C/C=C(/O)COC=O.[Pt]"]
["91653821","Br[Ge-]1CO[Ge](=[Br+])CO1"]
["103017645","C1C[Ge-]2CCO[Ge](=[O+]CC2)O1"]
["51655181","O=C1Cc2cc3c(cc2O1)CC(=O)O3"]
["182760967","CC(Cl)C(Br)C(C)C1CC(=O)OC1=O"]
["97917365","C[B-]1(Br)OCCO1"]
["97723432","CN(C)P1OP(N(C)C)OP(N(C)C)O1"]
["185056184","FC1(CCBr)COC1"]
["195507163","O=C1OC(=O)[C@H]2C1C13CCC2(C1)C3"]
["179643864","O=C1Cc2cc3c(cc2N1)CC(=O)O3"]
["84066161","CCc1coc(=O)c(C#N)c1CC"]
["50862648","N=C(O)CCN1C(=O)COCC1=O"]
["161402976","O=C1CN2CC(=O)ON2O1"]
["179403123","NC1=C2CC#[N+]NC2=[N+]=C=N1"]
["146711736","CCCC(C)(N)C(=O)N1CCN(c2ncc(CC)s2)CC1.Cl"]
["173207546","NC1=N[C-](N)C=C=N1.[U]"]
["53651325","O=C1N[N+]#CN[C]1O.[Na+]"]
["180753760","C1#CN[N+]#CCN=CC1"]
["165202319","NC1=C2NCN=C2NC(O)N1"]
["48031364","CCCC(C)(NCC)c1nc(CC)c(C)s1"]
["86702319","CCc1ccc(CS(=O)(=O)c2cc(N)ccc2C)s1"]
["MCULE-4252094362","CC(C)(C)c1ccc(-n2nc(C3CC3)c(C3CC3)c2N)cn1"]
["43168161","CC(C)[C@H](N)C(=O)N1CCN(C=O)CC1"]
["173672070","CSc1sc(C(N)=O)c2c1C(=S)C(=CN)CC2"]
["81105206","CCc1ccc(C2N=C(O)CC(C(C)(C)C)N2)s1"]
["200249697","[K+].[K+].[O-]B([O-])CN1CCN2C[C@@H](F)OC(F)(F)C2C1"]
["116970530","CN(C)C(=O)CNC(=NCC1CCOC1)N1CCC(CN2CCCC2)C1.I"]
["158444143","C[C@H]1CN(C(O)=NCC2CCC(F)(F)CC2)CCN1CC(C)(C)O"]
["113386319","CC1CC(N)CCN1CC1CC(F)(F)C(=O)O1"]
["156741253","O[C@H](CBr)CN1CCN2CCC[C@@H]2C1"]
["160700783","OC(=NCC1CC(F)(F)C1)N1CCC(O)C12CCCC2"]
["30250987","CC(C)=CC(O)C(CCN1CCN(C2COc3ccccc3O2)CC1)c1ccccc1"]
["166500069","CCN1CCN(C2CN(S(=O)(=O)c3ccccc3C=O)C2)CC1"]
["162971558","FC(F)CN1CC2CC1CO2"]
["56053045","CCNC(C)(CN1CCN(CC)C(C)C1)C(=O)OCC"]
["156945783","CCCN1CCNC[C@H](O)C1"]
["157930581","C[C@@H]1C[C@@H](C)N(CC2(F)CC2)C1"]
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["183718056","CCCCCCOc1ccc2c(c1)[n+](=O)[nH]c(=O)n2[O-]"]
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["174024873","[B+]=c1c(=[B+])c(=[B+])[c-]2[c-]([nH][c-]3[c-](O)c(=[B+])[c-](-[c-]4c(=[B+])c(=[B+])[c-]5[nH][c-]6c(=[B+])c(=[B+])c(=[B+])c(=[B+])[c-]6[c-]5[c-]4O)c(=[B+])[c-]32)c1=[B+]"]
["176361967","[B+]=c1c2c(c(=[B+])c3sc(I)nc13)[N-][C-](F)S2"]
["174096530","[B+]=c1c(O)c2[c-]3c(=[B-](O)O)c(=[B+])[c-](O)c(=[B+])[c-]-3o[c-]2c(=[B+])c1=[B+]"]
["176179799","[B+]=C1C(=[B+])[C-](N2[C-]=C(C(F)(F)F)CC(=[B+])[C-]2[O-])C(=[B+])C(=[B+])[C-]1F"]
["174102999","[B+]=C1C(=[B+])[C-]([C-]=[C-]SI)C(=[B+])C(=[B+])[C-]1F"]
["174000847","[B]=c1[cH-][c-]2c(=[B])c(=[B+])c(=[B+])[c-](F)[c-]-2c(=[B+])c1=[B+]"]
["175614453","[B+]=c1c(=[B+])c(=[B+])[c-]2s[c-](Cl)[n-][c-]2c1=[B+]"]
["79064035","NC1SSN(/C(=N\\O)C(O)=NC2C(=O)N3C(C(=O)O)=C(C=O)CSC23)S1"]
["73980953","CON=C(C(O)=NC1C(=O)N2CC(C=CCI)(C(=O)Oc3ccccc3)C(c3ccccc3)S[C@H]12)c1nsc(=N)[nH]1"]
["99620419","COc1ccc(N2C(=O)[C@@H](N=C(C)O)[C@H]2/C=C/C(=O)C2Cc3ccccc3O2)cc1"]
["172930615","CO/N=C(\\C(O)=NC1C(=O)N2C(C(=O)O)=C(C=CC[n+]3ccc(C(N)=O)cc3)CS[C@H]12)c1cs[c+]([NH-])[n-]1"]
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["90733651","CC(O)C1C(=O)N2C(C(=O)O)=C(SC3CNC(CC(=NC(=N)O)NO)C3)C(C)C12"]
["173253591","CC(C(=N)O)[C@@H](C)CCCC(O)=N[C@@H]1C(=O)CO[C@H]1C"]
["99610221","CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3/CCCN(CC(F)(F)F)C3=O)CS[C@H]12)c1csc(=N)[nH]1.O=C(O)C(F)(F)F"]
["187130438","N=C/C(N=C(O)c1c(Cl)cccc1Cl)=C(\\N)C(O)=NC1CCN(P(O)Oc2ccccc2)CC1"]
["30279036","CC(C)C[C@H](N)C(=O)c1ccccc1C[C@H](N)C(=O)c1ccccc1C(O)C(O)=NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]12.O=CO"]
["78955308","CC(C)(O/N=C(\\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].CC(C)(O/N=C(\\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-]"]
["26625091","Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(N=C(O)C(N=C(O)c3ccc(O)c(O)c3)c3ccc(O)cc3)[C@@H]2SC1"]
["184385470","FC1=C[C-](I)C(=CCCC2=CCC=C3C=C(N4CC[Cl+]CC4)C=C[C-]32)C=C1I"]
["180939169","C=c1/c(=C\\N=C(CC)NC2=CC=C=CC2)nnn1C1=CC2=CCC[C-]2C=C1.[CH2-]CCCC.[U+2]"]
["179353098","CCC1=CC(=CCN2C(=O)C[Cl+][C@@H]2C2=CN(c3ccc(Br)cc3)[N-]C2c2ccoc2)C=C[C-]1N=C(C)O"]
["173610441","C=C(C#N)C1=CNc2c(cc(F)c(N3CCC(CC)C3)c2C#CCc2ccc(-c3ccc(F)cc3)cc2)C1=C.CC"]
["44748823","CC#CCOc1ncnc(N2CCCC(C)C2)c1F"]
["184315917","Cc1cc(CC2=C=CC[N-][CH-]2)ccc1N1CC[Cl+]CC1"]
["179307644","CCO[C-]1CCN(C(=O)C(C)=C=C2C=C(N3CC(C)CC(C)C3)C=C[C-]2C)CC1.[U+2]"]
["175731704","C[C-]1C=CC(Br)=CC1=CCCC=O.[W]"]
["184342025","C=C1C=C(CCc2ccc(CC=C3C=CC(C)=C(Cl)[C-]3F)c(F)c2Cl)C=C(I)C1C"]
["179345906","O=C(CC([O-])C=C1C=C(F)C(F)=C[C-]1I)N1CC[Cl+]CC1"]
["180189722","C=C/C=C\\CCC1=CCC=CC(N2C(C(=C)CI)=CNc3ccccc32)=C1"]
["179285406","CCNC1=[C-]CC(CCN2CC[Cl+]CC2)C=[C-]1"]
["161689673","C1CN[Si]2(N1)N[Si]1(NCCN1)N2"]
["76133803","O=N[C]1NCCCCN1"]
["25702867","C1CSC(C2NCCS2)N1"]
["178808709","C1CSC2SC2N1"]
["195337838","C[C@H]1CC12CCN2"]
["57147215","ClC(Cl)(Cl)C1NCCN1"]
["180120392","[CH3].[CH]1CCNC1.[Po]"]
["25416408","B1OCCNCCO1"]
["177254222","C[Si]1(C)CCCCNC1"]
["174425262","[CH]1CCNC1.[H].[Sn]"]
["78431451","CO[Si]1(C)CCCN1"]
["185858803","C1CO[Ge]2(OCCN1)OCCO2"]
["583426","FC(F)(F)C(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1"]
["179591143","FC(F)(F)c1nc2cc(Cc3nccc(-c4ccccn4)n3)cc(C(F)(F)F)c2[nH]1"]
["162810119","Cc1nc(SCC(F)(F)F)[nH]c1C"]
["174621701","C=NNc1c(CI)nc(C(F)(F)F)nc1CI"]
["155370952","Fc1cccc([C@@H]2C[C@@H]2c2nc3cccc(OC(F)(F)F)c3[nH]2)c1"]
["86785575","Cc1cc(F)ccc1-c1nc(=O)c(I)c(C)[nH]1"]
["34484727","FC(F)(F)C(F)(F)C1=Nc2ccccc2N=C(c2ccccc2)C1"]
["155281746","CNc1cc(Cl)ccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1"]
["MCULE-2930668363","CC(C)(C)c1nn2c(=O)cc(-c3c(F)cccc3C(F)(F)F)[nH]c2c1I"]
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["94585289","CCC(N)(CC)c1noc(C(F)(F)C(F)(F)F)n1"]
["155302525","CC(C)(F)[C@H](Br)c1nc2ccc(I)cc2[nH]1"]
["147850206","n1np[p-]n1"]
["25118502","Nc1cnc([O])nc1"]
["191037490","[Cd+2].[Cd+2].[O-][Si]([O-])([O-])[S-]"]
["161695175","c1cpnnp1"]
["26403859","c1cpnnn1"]
["174664115","c1ccpcc1.c1cpnnn1"]
["161657734","c1onnp1"]
["161683917","c1nnnnp1"]
["148626666","O=P([O-])([O-])[O-].[Nb+5].[O-][Si]([O-])(O)O"]
["175289755","Nc1cn[c-]nc1.[V]"]
["173047713","c1pnnnp1"]
["164472916","n1npsp1"]
["68490474","N=C(O)N(c1cccc(CN=C=O)c1)c1cccc(N=C=O)c1CN(Nc1ccccc1N=C=O)C(=O)c1cccc(C(=O)N=C=O)c1"]
["61388873","COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1"]
["159815914","CCc1c(CO)cccc1N=c1c(C(=O)O)c[nH]c2[nH]c(-c3ccc(F)cc3)cc12.CCc1ccccc1N=c1c(C(=N)O)c[nH]c2[nH]c(-c3ccc(F)cc3)cc12"]
["63698057","CCN(Cc1ccncc1)CC(C)C(=O)c1ccccc1"]
["61805627","CCN(CC(O)=NCc1ccccc1)[C@H](C)c1ccc(F)cc1"]
["3028540","COCC(=O)N(Cc1ccccc1)c1cccc(CC(O)=NCC2CC2)c1"]
["63292593","COC(=O)Cn1c(=NC(=O)c2ccccc2)sc2cc(Cl)ccc21"]
["123913931","CC(O)=Nc1cccc(CS(=O)C(C)C(=O)N(C)Cc2ccccc2)c1"]
["164803551","CCC(C(O)=NC(C)CCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O"]
["22936707","CCN(C(O)=NCc1cccc(OCC2CCCO2)c1)C(C)c1ccc(F)cc1"]
["108717014","O=C([C@@H](N=C(O)c1ccccc1)c1ccccc1)N(CCO)Cc1ccccc1"]
["18181074","COc1ccc(CN(C(=O)c2cccc(S(C)(=O)=O)c2)C2CC2)cc1"]
["170218437","CC(=O)[N-]c1c(C2=C(O)C(=C3C=C4C5=C(C3=[NH+]C(C)=O)C(C)(C)CCN5CCC4(C)C)C2=O)cc2c3c1C(C)(C)CC[NH+]3CCC2(C)C"]
["52475381","Cc1oc(C(=O)O)cc1S(=O)(=O)NC1CCN(C2CC2)C1"]
["156239183","CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1C3=C1C=CC(C(=S)N3CCCCC3)=[S+]1)C(C)(C)CCN2C.[Cl-]"]
["191456826","CC(C)N[C@@]1(C)CCN(C)CC=CCCC[C@@](C)(C(=O)C(C)C)NCC1=O"]
["76301178","CC(=O)C1(O)CCC2C3C=CC4=CC(=O)C=CC4(C)C3(Cl)C(Cl)CC21C"]
["63719014","Cc1ccc(C([O-])=N[C@@H]2CCC(C)(C)c3ccccc32)cc1NS(C)(=O)=O"]
["187095946","CC(C)c1ccccc1-n1c2c(c(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc1=O)CCNC2"]
["180874555","CN1CC[C@](C)(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](OC(=O)CCO)C1"]
["87117846","CC1CC(Nc2cc(NS(C)(=O)=O)ccc2Cl)CCN1C"]
["30621300","CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(N3CCC3)n2n1"]
["186980480","Cc1ccc(OCS)c(-c2cnc3sc(N4CCC(O)(CN)CC4)nn23)c1"]
["197802103","CC.COC1(c2cc3c(N(C)Cc4cccc(C(F)F)c4F)nc(C)nc3n(C)c2=O)CCN(C(C)=O)C1"]
["179126737","[NH2+]=CN=C1C=CI=CN1"]
["174971324","CC1=CN[C](N=[Se])C=C1C"]
["195432590","C[C-]=C1CC(C)[C@@H]2CC=IC=C2N1.[Zn]"]
["70116122","C1=CC2=CNCNN2C=C1"]
["184998336","O=C1C=IC=CC1=CO"]
["187147726","C/C=C\\N=C1C=CC=C(C)CC1"]
["174318089","CN=C1CC=C(C)C=CN1"]
["179244539","Cc1ccc2c(=[NH2+])[nH][nH]c2c1"]
["183186070","[N-]=[N+]=NN=Cc1ccccc1C(F)F"]
["171622730","C=CN=C1C=CNC1=C.CC"]
["161803933","C1=CI=IC=C1.O"]
["179547935","Cc1ccccc1NN=CC=[NH2+]"]
["45916863","C1#CCSCC#CCOC1"]
["176824227","C1CSCO1.CC.COC"]
["24736150","C1CC(NC2CCOCC2)CCO1"]
["108422874","Cl[C@@H]1COCC(Cl)(Cl)S1"]
["26789491","C1#SCCCO1"]
["184565298","C1#CCSN=C1"]
["174712750","C=C[SiH2]C1CCOCC1"]
["100768652","C1SCC2CC1O2"]
["65365465","CC1=CCCC#CCOCC(C)=CCC1"]
["100769053","C1OCC2CC1S2"]
["91581031","I[As]1SCCOCCS1"]
["174820256","O=COC1COCN1"]
["74466878","C1=CN=C2C=C[C]3N=CC=CC3=C2C=1"]
["79492416","C1=NN=C(c2ccccc2)C=C[C](c2ccccc2)N=1"]
["183126966","O=C(O)C1=CSN=CC=C1"]
["89211543","CC(C)(C(=O)O)C1=NN/C(=C2/C=CC=N2)O1"]
["145719055","C1=C/C(=N/Nc2nccs2)N=C1"]
["75837599","[O]C1=NC=C=CC1=O"]
["58186451","Brc1ccc(N/C=C2/C=CC=N2)cc1.Brc1ccc(N/C=C2/C=CC=N2)cc1.[Cu]"]
["99761279","CCC1=NN/C(=C2/C=CC=N2)O1"]
["7676862","C[N+](C)(C)CC(O)=C1C=CC=N1"]
["25651141","CO[C]1C=CC=NC1=C=O"]
["25484300","[N-]=[N+]=C1C=CC=NC1=O"]
["60079639","[Li+].[O-][N+]([O-])=C1C=C=CC=C1"]
["178928376","CCO[C@H](C[Cl+]CC)[Cl+]CC[c-]1c(I)c(F)[c-](I)[c-](F)[c-]1F"]
["48698136","CCOC(C)OC(CC)(OC(C)OCC)OC(C)OCC"]
["85948287","CCOC(C)c1nc(O)c(I)c(CC(C)C)n1"]
["119913205","CCCC(OCC)C(O)Cc1cccc(Cl)c1F"]
["86859235","CCOC(CCN[C@H](C)c1ccc(F)cc1)OCC"]
["MCULE-1674782425","CCOC(=O)c1c(C)nn(C(c2ccc(C)cc2F)C(C)C)c1I"]
["MCULE-9786559907","CCOC(OCC)c1ccc(C2C(CN)C2(F)F)cc1"]
["123082984","CCOC(CCN=C(O)Nc1ccnn1C)C(C)C"]
["95307977","CCOC(CC)C(=O)Cc1cc(F)cc(Br)c1"]
["106858412","CCOC(=O)C[C@@H](Cl)Cc1ccc(F)c(C)c1"]
["59031777","CCOC(Cc1ccc(OCCN(CCOCC(C)(F)F)C(O)=NCc2ccc(F)cc2F)cc1)C(=O)O"]
["94943782","CCNC(c1nccnc1OC)C(CC)OCC"]
["81561692","[Si+]#[P-](Cl)(Cl)[I+]#[Si-]"]
["171003608","C[Si](=[Si+])[Si](C)=c1ccccc1=[Si-]"]
["174481906","O=CC1OCC(Cl)O1"]
["74797732","ClC[C@H]1COC[C@H](CCl)O1"]
["91500216","[Si+]=[Si](Cl)[Si]#[Si-]"]
["101694607","ClC1COCC[N+]12CCOCC2"]
["181110190","Cl[SiH](Cl)C1CO1"]
["76097738","CCOCC.ClCC1CO1"]
["162599360","Cl[C@@H]1COC[C@@H](Cl)O1"]
["68657800","Cl[C@@H]1COC[C@H]1Cl"]
["185565672","CC1COCC(C)C1(Cl)Cl"]
["175333731","O=[P+]1CCC1Cl"]
["78996778","[C+]1=NC2=NC=C[N-]C2=CN1"]
["79199059","[C+]1=NC2=C[N-]C=CC2=CN1"]
["177158576","CC(C)N1[CH-][N+](c2ccccc2)=C2[N-]C=CN=C21.[Ag+].[I-]"]
["199962923","C=N[C-]=C([C-]=C(C)Br)NC=c1ccc2c(c1)[N-]C=CN=2.CCNCC.[Li+]"]
["162188045","Cc1ccc(C)c2[nH]c(Br)nc12"]
["180250691","CC(C)N1C(=O)N=C=C2[N-]C=CN=C21.[Re]"]
["197094043","FC(F)OC1=C2[N-]C=CC=C2C=C=C1.[Y]"]
["66176723","C=C1[N-]C=CN=C1Cl.[Y]"]
["96680307","CC(=O)C(c1cc(C)sc1C)c1cc(C)sc1C"]
["198608541","[B+]=C1C=C[N-]C(c2nc(C)c[nH]2)=C1"]
["173647764","O=C=C1[N-]C=CN=C1C(F)(F)F.[Y]"]
["182310260","N=C(O)C1=C=NC=C[N-]1"]
["97345361","c1c[s+]c[s+]c1"]
["172633281","[Co].c1cncnc1"]
["178478929","[Rh].c1cncnc1"]
["50530744","CCO.CO.c1ccccc1"]
["68473952","[O-][Cl+3]([O-])([O-])[O-].c1cc[n+](CC[n+]2ccccc2)cc1"]
["193728483","O.P.c1cncnc1"]
["91342769","c1sc(-c2c[s+]cs2)c[s+]1"]
["59380620","CC(=O)n1ccc[s+]1"]
["57314912","Br.c1ccncc1.c1ccncc1"]
["192594207","C.c1ccncc1.c1ccncc1"]
["59526998","[OH-].c1cc[s+]cc1"]
["190587355","C#C.c1cncnc1"]
["194437171","CCC(C)(C)N1CC(C)(C)[N+]2(CCCC2)C12N(C(C)(C)CC)C(C)(C)C[N+]21CCCC1"]
["160381470","COC1(C)CCCN(C(O)=NCc2nnc(C(C)(C)C)s2)C1"]
["20311891","CC[C@@]12CN3CC[C@@](CC)(CN(C1)C3(C)C)C2=O"]
["114288150","CCc1cc(CN)cc(N2CCCC(C)(OC)C2)n1"]
["90779339","CC1(C)C(O)C(C2(O)CCCCC2)C=CC1C1(O)CCCCC1"]
["45137155","CCC(C)(C)C(=O)OC1(C)CCCCCCCCCCC1"]
["181487756","CC1(C)C(O)=NC(=O)N1[Si](C)(C)C(C)(C)C"]
["189279976","CCC(C)(CC)N1CC(C)C1"]
["167257499","CC1(C)CN(C(C)(C)C)C2(CCCCC2)C(O)=N1"]
["52710872","CC1(C)CCCN(CC(C)(C)C(C)(C)N)C1"]
["94271202","CC(C)c1cc(CCl)cc(N2CCN(C)C(C)(C)C2)n1"]
["114287577","CCNC(C)(CN1CCCC(C)(OC)C1)C(=O)OC"]
["101150512","F[PH2]1[BH-]([F+])[PH2](F)[BH-]1[F+]"]
["101150509","[F+][BH-]1[PH3][BH-]([F+])[PH3]1"]
["110608000","[BH3-]C(F)=C(F)F"]
["79594129","[BH3-]C(F)=C(F)F.[K+]"]
["91110113","O=CC=[Si]=[Si]=CC=O"]
["101820118","CN(F)SI"]
["96566157","FC(F)(F)C1(F)C(F)(F)C(Cl)(Cl)C1(Cl)Cl"]
["91203906","FC(=[F+])C(F)(F)F"]
["25938415","C[CH-]CC(F)(F)C(F)=[F+]"]
["76154562","O=[C-]C1C2C=CC(O2)C1C#[O+]"]
["156849496","CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1"]
["196441515","CN1C(=O)[C@@H]2C3C=CC(O3)[C@@H]2C1=O"]
["158965104","COC(C)(C)CS(=O)(=O)N1C[C@H]2[C@H](C1)[C@H]1C=C[C@H]2O1"]
["158965103","COC(C)(C)CS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1"]
["174012364","[B]C(C)(C)N1C(=O)C2C3C=CC(O3)C2C1=O"]
["162752515","O=C(O)C[C@@H]1C=C[C@@H]2OC(O)C[C@@H]21"]
["104218498","O=C1[C@@H]2[C@H](C(=O)N1N=C1CCCCC1)[C@H]1C=C[C@@H]2O1"]
["64714552","O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3O2)c1"]
["167230348","C1=C[C@H]2O[C@@H]1[C@H]1OC(c3ccccc3)O[C@H]12"]
["97455382","Cc1ccc(S(=O)[C@@H]2[C@H](C#N)[C@@H]3C=C[C@H]2O3)cc1"]
["153213417","C[C@H](O)[C@H]1C=C[C@H]([C@@H]2CCC(=O)O2)O1"]
["20233013","N=C(N=NC([O-])=C([O-])NNC(=N)N[N+](=O)[O-])N[N+](=O)[O-]"]
["64317847","N=C(N)Nc1cc(CO)cc(CO)c1.O=[N+]([O-])O"]
["135444444","N=C(O)C(N=C(O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1"]
["79706901","N=C(N[AsH2])N([AsH2])[AsH2].O=[N+]([O-])O"]
["185736836","CN=C(O)[C@H](CCCN)N(C(=N)N[N+](=O)[O-])C(=O)C(c1ccccc1)c1ccccc1"]
["91544869","CC(NC(=N)N)=C(C#N)[N+](=O)[O-]"]
["65155011","O=[N+]([O-])C/C=N\\O"]
["184125868","O=C([O-])c1cc(Br)c([N+](=O)[O-])s1"]
["181356061","CC(C#N)(C(=N)S)[N+](=O)[O-]"]
["185251849","O=[N+]([O-])N=NP([O-])(O)=S"]
["76001089","N=C(N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1.O=[N+]([O-])O"]
["129915360","O=[N+]([O-])c1cc(C(O)=NNC(O)=NCC(F)(F)F)ccc1Br"]
["178168750","CCCCC(C)C1CCCC[C-]1C(CCCC)[C@]1(C)CC(C)I(CC2[C-]=C2[C@@H]2C[C@@]3(C)CC(CCCC)N(C4CCCC([C-]=[N-])[I+]4)C3C[I+]2)N1"]
["48224212","CCCn1c(SCC(O)=NC(O)=NC2CCCCC2C)nnc1-c1ccncc1"]
["80153518","CC(Cc1nn[nH]n1)OC12OC3CCC(CO)C4(O1)C3C1OC1(CO)C(O)C1(O)C(O)C(C)C(C(C)CCCCCCC2O)C14"]
["80704704","CCCCC1N=C(O)CC(CSc2nnc(C3CCC3)n2C(C)C)N1"]
["MCULE-9293655806","CCCCC(NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)N1CCCCC1CCO"]
["180612350","CCCCC(C)C1C2CC34C5=C(CCC5C2C)C3C2C3CCC5C(C)C(C6CCCC6)C6C(C53)C2C4C16"]
["180263180","CCCCC(C)[C@@H]1CCCSC1"]
["10357176","CCCC[C@@H]1CCC[C@H]1N=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21"]
["164239523","C=C1CC(C)CC(CC)(CCN2C(=N)NC[C@@H]2CCCCN2C[C@@H](Cc3cccc4ccccc34)N(CCCCC3CCCCC3)C2=N)C1"]
["153573265","CCCC[C@H](N=c1[nH]c(-c2ccc(N=C(C)O)cc2)cs1)C(O)=NC[C@@H]1CCCO1"]
["158339699","C[C@@H]1C[C@H](C)C[C@@]2(C1)N=C(O)N(CC(O)=N[C@H]1CCCC[C@@H]1CO)C2=O"]
["149108899","CCCCCC1CN(CC(=O)N2CCCCC2C)C(=O)c2cc(-c3ccc(Cl)cc3)nn21"]
["79109578","[Se]=CC1=C([SeH])C=CC([SeH])(C=[Se])O1"]
["173944230","C1=Cc2cnoc2C=CO1"]
["76924715","CC1=C(O)C=CC2(C)C(=O)C=CC=C12"]
["172463944","O=C(C=CC12C=CC(=CC1)O2)c1ccccc1"]
["195480179","CC1(c2ccon2)CS1"]
["194875545","ON=Cc1cc(-c2cc(C=NO)on2)no1"]
["33808966","C=CCC1(CC=C)OC(=O)C=CC1=O"]
["23388731","O=C1C=CC(O)(C2(O)C=CC(=O)O2)O1"]
["180210929","CC1(N)C=Cc2nc(S)sc2C=C1"]
["26726519","Cc1c(C)c2c(c(C)c1O)C=CC(C)(O)O2"]
["56711156","C1=Cc2ccccc2C=CO1"]
["195723213","CC12C=Cc3nc(C4CC4)c(O)c(C(=O)O)c3C1OCO2"]
["79305271","S=[PH](S)SS[PH](=S)S"]
["74809984","C=CC(c1ccccc1)[PH](=S)S"]
["173096742","O[PH](=S)S.[Mo]"]
["79305269","S=[PH](S)P(=S)(S)SS"]
["101374515","C=CC[PH](=S)S"]
["101304529","S=[PH](S)S[PH](=S)S"]
["26745866","CC(C[PH](=S)S)CC(C)(C)C"]
["97978579","S=[PH](S)c1ccccc1"]
["78544788","CC[PH](=S)I"]
["73789283","S=[PH](S)Sc1ccccc1"]
["47552959","[S-]S[B]S.[U]"]
["75275870","CCc1ccccc1CCO[PH](=S)S"]
["97660431","BrC(Br)C1=NN(C(Br)Br)S2=C1C(C(Br)Br)=NN2C(Br)Br"]
["156467331","CC[C@@H](Br)C(O)=Nc1cnn(C(C)C)c1"]
["184659594","Clc1cnc(C(Br)Br)s1"]
["177895626","CCN1N=C(C)C(C)C1C"]
["97144729","C=C1C=C([Si](C)(C)C)C(=O)N(Cc2ccccc2)C1C"]
["159130328","C/C(=C/c1cc(Br)nn1C)[C@@H](C)Cl"]
["96286579","N=C(O)C(Br)Cc1c(Cl)cc(Br)cc1Cl"]
["192935000","Cc1nccnc1Cl.Clc1nccnc1Cl"]
["49541447","Fc1cc(Cl)ccc1C(Br)c1ccccc1"]
["87840984","C#CCn1c(C(C)Br)nc2cc(Cl)ccc21"]
["156588560","Cn1nnnc1SC[C@@H](Cl)C#N"]
["182563210","Fc1cc(Cl)ccc1N1CN(C(F)F)C=N1"]
["170375625","N#Cc1cc2sc(C3=S=C(c4nc5cc6cc7oc(-c8cnc(-c9cc%10sc(C#N)cc%10s9)s8)nc7cc6cc5o4)C=N3)cc2s1"]
["87930694","N#Cc1cnc(COc2cccc(Cl)c2)s1"]
["180772784","C[S+](C)CCOCn1ccnc1-c1nc2ccc(Br)cc2o1"]
["199575428","COC(=O)c1c(N)c(C#N)cn1-c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1"]
["180733386","OC(=Nc1ccccc1-c1nc2cc(C=[N+]3CCNCC3)cnc2s1)c1nc2ccc(F)cc2o1"]
["133238408","CC(C)C1C(O)=NCCN1C(O)=NCc1ccc(-c2nc3ccccc3s2)o1"]
["138948931","CC(C)c1nnc(CCC(O)=Nc2nc(-c3cccc(C#N)c3)cs2)o1"]
["187900246","CCCc1cc(F)c(C#Cc2cc3sc(-c4cc(F)cc(F)c4CC)cc3s2)c(F)c1"]
["173946523","Oc1ccc(-c2nc3ccc(Oc4ccc(F)cc4)cc3o2)cc1"]
["91821789","CCc1cnc(C(C)Nc2ccc(N)c(CC#N)c2)s1"]
["MCULE-7050246981","N#CCC(O)=Nc1nc2ccc(-c3ccc(C#N)s3)cc2s1"]
["155239504","Cn1cc(-c2ncc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)s2)cn1"]
["161693691","C[Si-]=C[C+]=CO[Si](C)(C)C"]
["97312537","CC/C(=C\\c1ccccc1)C/C=C/O[Si](C)(C)C"]
["25112248","C[Si](C)(O[SiH3])C1CO1"]
["68566260","C[Si](C)O[Si](C)(C)C.[Y]"]
["44496117","CC1=C(C)OP(O[Si](C)(C)C)O1"]
["166866110","C[Si](C)(C)OC(O)C(O)CO"]
["23409731","C[Si](C)(C)O[Si](CCl)(O[Si](C)(C)C)O[Si](C)(C)C"]
["77007061","CC[Si](C=CO[Si](C)(C)C)(CC)CC"]
["185455905","CO[Si](C)(OC)OC=S(=O)=O"]
["70623056","C[Si](C)(C)OC12C3C=CC1C2C(CO)C3"]
["69691042","CC1CC(=C[Si](C)(C)C)C(=C[Si](C)(C)C)CC1C"]
["167282571","C[Si](C)(C)ON(/C=C\\C#N)/C=C\\C#N"]
["172434324","N=C1NNc2ncnc3c2=C1CN=3"]
["158084161","N=c1ccnc(N2C[C@H]3C[C@H]3C2)[nH]1"]
["99402293","CC1=C/C(=C2\\N=c3[nH]c(=N)[nH]c(=N)c3=N2)N(C)N1"]
["67790599","CC(C(=O)N(C)C)n1cnc(=N)[nH]1"]
["64529798","N=c1[nH]c(=N)c2nccn2[nH]1"]
["29007149","CN(CCO)c1cnc(-c2nc(C3(c4ccc(-c5cnc(=N)[nH]c5)cc4)CCC3)no2)cn1"]
["91692583","Cc1cc(N[C@H]2CCNC2)ncn1"]
["74727901","CN(C)[C@H]1CC[C@H](Oc2ncnc3sc4cnccc4c23)CC1"]
["64194625","N=c1[nH]c(=N)c2ncc(Cl)cc2[nH]1"]
["180230713","CC1CC=CNC(=N)c2[nH]cnc21"]
["175586996","N=c1nc[nH][nH]1.NN"]
["158062936","C[C@@H]1C[C@@H]1Nc1ncnc(=N)[nH]1"]
["184050404","COP1(OC)=NP(OC)(OC)=NP(OC)(P2(OC)=NP=NP=N2)=N1"]
["176082088","COc1ccc(OP2(c3c(F)c(F)c(F)c(F)c3F)=NP=NP=N2)cc1"]
["197384437","COCc1nc(CC(C)(C)CBr)cs1"]
["171212068","COP1(Oc2cccc(C)c2)=NP(Oc2cccc(C)c2)(Oc2cccc(C)c2)=NP(Oc2cccc(C)c2)(Oc2cccc(C)c2)=NP(Oc2cccc(C)c2)(Oc2cccc(C)c2)=N1"]
["171211962","COP1(Oc2ccccc2C)=NP(Oc2ccccc2C)(Oc2ccccc2C)=NP(Oc2ccccc2C)(Oc2ccccc2C)=N1"]
["54986435","COP1(C)=NP(C)(C)=NP(C)(OC)=N1"]
["182782446","CC(O)=NP1(Oc2ccccc2Oc2ccccc2)=NP=NP=N1"]
["51618788","COP1(OC)=NP(NC(C)(C)C)(NC(C)(C)C)=NP(OC)(OC)=N1"]
["67327759","COc1ccc2c(c1)CCC([N+](C)(C1CC1)C1CC1)C2C"]
["170559969","CC(C)P1(C(C)C)=NP(C(C)C)(C(C)C)=P[P@]1[P@]1P=P(C(C)C)(C(C)C)N=P1(C(C)C)C(C)C"]
["49226555","COP1(=O)N=P(OO)(OO)N=P(NC(C)(C)C)(NC(C)(C)C)N1"]
["53724995","COP1(=O)N=P(OC)(OC)N=P(OC)(OC)N1"]
["174048760","FC(F)C(F)CC1(CC(F)C(F)F)CC[Si](CC(F)C(F)F)(CC(F)C(F)F)[Si](CC(F)C(F)F)(CC(F)C(F)F)O1"]
["24882629","CCC1(CC(c2ccc(F)cc2)c2ccc(F)cc2)CO1"]
["111918449","COC1(CC(N)Cc2ccc(F)c(F)c2)CCC1"]
["196451705","O=C1CCC(CC(F)F)(c2ccc(F)cc2)O1"]
["112345618","NC1(CCC(C(F)F)C(F)F)CC1"]
["162947906","OC1(CC(F)F)C2CCCC21"]
["190330519","CC(C)(C)C1(S(=O)(=O)C(C)(C)COC(F)F)CC1"]
["153012568","CCC1(CC)CC[Si](O)(CC)[Si](CC)(CC)O1"]
["197526554","CC1(C(CC(=O)O)C(F)F)CCOCC1"]
["66816965","CC1(C)CCC(c2noc(CC(O)C(F)F)n2)CC1"]
["159423697","CC(C(F)F)C1(N)CCC(N)CC1"]
["197675122","NCC1(C(F)F)CCOC1"]
["68058972","C[SiH]O[SiH]=[O+][SiH-]C"]
["24286134","CO[BH-](OC)OC.[Na+]"]
["52019915","CC[O+]=[Si-]C(N)CCOC"]
["98492366","CO[SiH]=N"]
["172755507","CC[O+]=C(CO)O[O-]"]
["67236164","CO[Si](CC[Si]=[O+][SiH-]C)(OC)OC"]
["175211629","CCOc1c(C(=N)O)ccc(C(=N)O)c1OCC"]
["183245737","Cn1cnc2c(S(=O)(=O)Cc3ccccc3)nccc21"]
["55442754","CC(N)COCCCOCC(C)N"]
["79653850","C[SiH]OC(C)(C)C"]
["170642543","COc1ncc(C#Cc2cnc(OC)nc2)cn1"]
["156249550","CCO[SiH]C"]
["180896627","[CH-]1[CH-]C2CC[I+]CCC2C1"]
["175511683","[C-]1=CCC[C-]=C1C(OC1CC[I+]CC1)c1ccccc1"]
["179153594","N=C(O)CCCCOCC1[CH-][CH-]C[I+]C1"]
["79597835","C1=[O+]C1C1C[CH-]C1"]
["195393211","C[C-]([NH-])CC(O)=[NH+]C1CC[I+]CC1"]
["176262527","CC.CC1C[CH-]N(C)CC1.[Re]"]
["173019962","Cc1ccc([C-]([O-])C2CC[I+]CC2)c(C)c1"]
["178219377","C[I+]C1[CH-][CH-]CC1C"]
["178692815","CC(C)(C)[Cl+]C(Cl)N1CCC(C2[CH-][CH-]CNC2)CC1"]
["180153146","[O-][CH-]OC1CC[I+]CC1"]
["179385193","CC(C)(C)S(=O)NC1([C-]2[C-]=C(Br)CC2)CCC2(CC1)C[I+]CCC1CC12"]
["195846334","[CH-]1[CH-]C2C[I+]CC1C2"]
["193100969","C.CC=NC#CC#CC(O)NC#CC#CS"]
["178297560","C/C=C(\\CNCC)[C@@H](O)N=CS"]
["172955986","N#C/C(=N/O)C(O)O"]
["178702591","CC(N)NC#CC(=N)N=O"]
["174526636","CC=NC(O)=NCC(C)O"]
["84651034","CCC(C#N)C(O)c1ccc(C)o1"]
["180557254","C#C/C=C\\[C@H](C)C(C)CN=CC"]
["171021950","CCC#CC(=O)C(=O)C#CC(C)C(=O)C#CCC"]
["183562646","CC(C)(O)C(O)C#CN=[N+]=[N-]"]
["171863806","COC(=O)C(O)C(O)c1ccccc1C#N"]
["32507631","C#CC(CC(O)C#CC(OCC)OCC)OC"]
["MCULE-9881861204","CC(O)CNC=C(C#N)C(O)=NCCCCl"]
["185371760","FP=NP(F)N(F)P(F)F"]
["191419097","[B+]=P(=O)F"]
["78429791","CCO[PH](F)=NP(F)N(F)P(F)F"]
["66771356","CN(P(F)F)P(F)(F)(F)F"]
["193029804","FN(F)F.FS(F)(F)(F)(F)F"]
["48741136","CN(P(F)F)P(=O)(F)F"]
["99906445","CCN(CC)P=NP(F)F"]
["175130784","FN(P(F)F)[P+](F)=NP(F)OCC(F)(F)F"]
["84010592","CC(C)(C)N(P(F)F)[Si](C)(C)C"]
["42519906","FP(F)N(P(F)F)P(F)F"]
["78429755","COCCO[PH](F)=NP(F)N(F)P(F)F"]
["174133831","FP=NBr"]
["200181718","CC(C)c1cc(C(C)C)c(-c2cc3c4cc5c(cc4n4c6cc(C#N)c7c(c6c(c2)c34)C2(C)CCC7(C(C)C)C2)c2c3cc(c4c6cc7c(cc6n5c42)C(=O)C2(C)CCC7(C)CC2)CCc2cccc(c2)CC3)c(C(C)C)c1"]
["23738307","CN(C)N1C(N)=C(C#N)C2(C(=O)N(Cc3cccc(F)c3)c3ccccc32)C2=C1CC(C)(C)CC2=O"]
["MCULE-1887993006","CC(C)CN1Cc2c(N=C(O)C(C#N)=Cc3ccccc3)cccc2C1=O"]
["143804709","C[C@H](NC(=O)C(O)=Nc1ccc(F)cc1C#N)c1ccccc1"]
["187799840","Cc1ccc(S(=O)(=O)n2c(-c3cccc(C4CC4C(=O)O)c3)c(-c3ccsc3C#N)c3ncccc32)cc1"]
["190106880","CC(C)c1csc(C2(c3nc(O)c4c(n3)CCCN(C(=O)[C@H](O)c3cccc(-c5ccnc(C(F)(F)F)c5)c3)C4)CC2)c1"]
["195862078","CC(C)c1cc(C(C)C)c(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)c5)cc43)c2)c(C(C)C)c1"]
["142714446","CC(NC(C)c1ccc(N2C(O)=NCC2C)cc1)C(O)=Nc1ccccc1C#N"]
["70049078","CN1C(=N)NC(C)(c2cncc(-c3cccc(C#N)c3)n2)CC1=O"]
["199751417","Cc1cccc(-c2cc(C(C)C)ccc2N(c2ccc(C(C)(C)C)cc2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)C)cc3-c3cccc(C)c3)c3c4ccccc4n5c23)c1"]
["MCULE-3992046023","Cc1cc(NC2=C(c3cccc4ccccc34)C(=O)N(CCCCN3CCCC3)C2=O)ccc1C(C)C"]
["42094557","CC(C)NC(=O)C1=NNC(=C2C=C(C(C)C)C(O)=CC2=O)N1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1"]
["164498662","C[Si](C)(C)C#Cc1ccc(C2=CC3=Nc4c5ccn6c(=O)c7c8c9c[n+]%10c(c9cc[n+]8c(=O)c-7c6c5cn4[B-](F)(F)[N+]3=C2)N=C2C=C(c3ccc(C#C[Si](C)(C)C)s3)C=[N+]2[B-]%10(F)F)s1"]
["69726219","Cc1cc(N2C(=O)C(=O)C(=C(O)c3c(C)[nH]c(C)c3C)C2c2ccc(F)cc2)no1"]
["29765234","Cc1c(-c2ccc(CN)s2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12"]
["154210268","C[C@@H]1CCc2c(sc(N=C(O)c3nn4c(c3Cl)N[C@H](c3cccs3)C[C@H]4C(F)(F)F)c2C(N)=O)C1"]
["27647988","Cc1ccc2nc(-c3ccc(C#Cc4ccccc4)s3)c(N(C)C3CCCCC3)n2c1"]
["194221724","CC(=O)c1ccc(-c2cc(N=C3NC(=N[C@@H]4CCCC[C@@H]4[NH3+])N=NC3=C([NH-])O)c[n+](O)c2)s1"]
["179753151","CC(C)[C@]12C#[N+][C@@]13[C@@H](C)C(c1cn4cnc(C(=O)c5ccc[n+](CC(=N)O)c5)c4s1)=C(C(=O)[O-])N3C2=O"]
["MCULE-3073328603","Cc1c(O)nc2ccccc2c1C(=O)N1CCC2(CCCN(C(=O)c3ccccn3)CCn3cc(cn3)C(=O)N(C)C2)CC1"]
["183469853","C[Si](C)(C)C#Cc1cnc(N2C(O)=CC(=O)NC2O)s1"]
["176046105","Cn1cc(C#Cc2ccc(Cn3c(O)nnc3CC(CN)=C(F)F)s2)cn1.O=C(O)C(F)(F)F"]
["22070341","CC(C)(O)C#Cc1ccc(-c2c(-c3ccccc3)ncn2CC(=[NH2+])O)s1"]
["187660957","CP(C)(=O)c1cc(-c2ccc(C#CSI)s2)ccc1N=c1[nH]c(Cl)ncc1Br"]
["193937596","[2H]C([2H])([2H])c1cccc(C)c1[N+]1=CC=[N+](C)C1=C1C=CC=C(c2c(C)n3c(C)c(C([2H])([2H])[2H])nc3n2C)N1C.[2H]C([2H])([2H])c1nc2n(C)c(-c3cccc(-c4n(C)c5ccccc5[n+]4C)[n+]3C)c(C)n2c1C.[2H]C([2H])([2H])c1nc2n(C)c(C3=CC=CC(=C4[N+](C)=CC=[N+]4C)N3C)c(C)n2c1C"]
["191969834","Cc1cc2oc(-c3ccccc3)nc2cc1-c1n(C(C)(C)C)c2ccccc2[n+]1C"]
["830647","Cc1n(CC(O)COC2CCCCC2)c2ccccc2[n+]1C"]
["179736076","CC1CC(c2cccc3c(C4=C(c5ccccc5)C(C)C5C=CC=CC5=C4)c4cccc(C5=CC6(C)C(C=C5)N=C(c5ccccc5)N6C)c4cc23)=Cc2c1nc(-c1ccccc1)n2C"]
["191821071","[2H]C([2H])([2H])C1(C)c2c(-c3ccccc3)c(-c3cc(C)cc(C)c3)n(C)[n+]2-c2c(C)cccc2C1(C([2H])([2H])[2H])C([2H])([2H])[2H]"]
["77815442","CC1=CC=CC(=[NH2+])C1=NC(=O)Cn1nc(O)ccc1=O"]
["191748671","Cc1cc2c3ccccc3n(C)c2cc1-c1cccc[n+]1C"]
["194114540","Cc1ccc2c3ccccc3n(-c3nn(C)c(C)[n+]3C)c2c1C"]
["168520368","Cc1ccccc1-c1nn(C)c2cccc(O)c12"]
["175006566","CN=C(/C=C/c1cn(CCSSCCn2cc(C=Cc3n(C)c4ccccc4[n+]3C)c3ccccc32)c2ccccc12)[NH+](C)c1ccccc1"]
["178558344","Cc1c(-c2cccc[n+]2C)c(F)c(C(F)(F)F)c(F)c1-c1cccc[n+]1C1C2=CC(F)=C(C(F)(F)F)C(=[F+])C2=C2C=CC=C(c3c1cc(F)c(C(F)(F)F)c3F)N2C"]
["53060582","CCCCCCCCCCCc1n(C)c2ccccc2[n+]1C"]
["170587057","CC(C)N1C=C[N+](C(C)C)=C2[B-]3(OCCO3)OCCO[B@-]21c1n(C(C)C)cc[n+]1C(C)C"]
["79354718","CCCCCCCCCCCCCCCCCCCc1n(C(C)C)cc[n+]1CCCCCCCCCCCCCCCCCC"]
["61389319","CC(C)n1cnnc1SC[C@@H]1CN=C(c2ccccc2)NO1"]
["96084113","CC(NC(C)c1cncs1)C(=O)N1CCOCC1"]
["82231916","CC(C)n1cc[n+]2c1CNCC2"]
["73492550","CC(C)n1cc[n+](C[n+]2ccn(C(C)C)c2)c1.[Br-].[Br-]"]
["125763538","CCN(CC)C(C)CN=C(O)NC(Cc1ccccc1)C(=O)N1CCOCC1"]
["176398525","CC(C)c1c2n(c3ccccc13)CCC2=O"]
["123978724","CC(CN=C(O)c1coc(Br)c1)N(C)C1CC1"]
["113473572","CCC1(Nc2nccn2C(C)C)CCC1"]
["170529321","CC(C)n1cc[n+](C(C)C)c1B1Oc2ccccc2O1"]
["70693707","Cc1nccc(N2CCC(c3nccn3C(C)C)CC2)n1"]
["169659922","N#CC1CCc2c(sc3c2CCC(N(C2C=CC(C4CCC5C(C4)OC4CC(C#N)CCC45)=CC2)C2CCC(C4CCC(C5CCC(C#N)CC5S)CC4)CC2)C3)C1"]
["13182491","CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccc(Cn6nc(C)cc6C)o5)nc4c23)C1"]
["149708609","C1=CCC2CC(C3C4CC=CC=C4C(C4C=Cc5ccccc5C4)C4CC5CCCCC5CC43)C=CC2=C1"]
["173540561","N#CCC1(N2CCC(C#N)CC2)CN(c2cccn3[nH]c(=NC4=CNNC4)nc23)C1"]
["158299146","CN1CC[C@@H]2CCN(C(=O)c3ccc(C#N)s3)[C@H]2C1"]
["17748957","Cc1nc2sc3c(c2c(-c2ccco2)c1C(=O)N(C)C)CC[C@H](C)C3"]
["82400394","N#Cc1cc(O)cc2c1CC(C1C=CC(O)=CC1)C1CCCCC21"]
["99625443","CCCCCCC1CCC(C2CCC(C3=CCC(OC(F)(F)C(F)(F)CF)C=C3)CC2)CC1"]
["184145004","N#CC1=CC=C(O)C(/C=C/CNC(O)C2C=CC(C3CCC(O)=NC3)=CC2)C1"]
["169641377","N#CC1CCC2OC(C3CCC(N(C4=CCC(C5CCCCC5)CC4)C4CCC(C5=CCC(C6CC7CCCCC7O6)CC5)CC4)CC3)CC2C1"]
["76011483","O=C(C1C=CC(C2CCSC2)=CC1)N(C1CC1)C1CCc2n[nH]cc2C1"]
["16241043","CC(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3"]
["175843540","CCc1c(C)c(C)c2c([N-]C3=NC(=N[C+]4[N-]CC5=C4CC(C)=C(C)C(C)=C5C)c4c(C)c(C)c(C)c(C)c43)[n-]c(N=C3[N-][C+](N)c4c(C)c(C)c(C)c(C)c43)c2c1C.[Zn+2]"]
["46096033","Cc1c(C)c(C)c(C=NCN=C2CC(=O)c3c(C)c(C)c(C)c(C)c32)c(C=O)c1C"]
["81018965","CC=CC1=NC(=C(C)c2c3c(C)c(C)c(C)c(C)c3c(C)n2C2n3c(C=CC)c(C)c(C)c3C(C)=C3c4c(C)c(C)c(C)c(C)c4C(C)=[N+]32)C(C)=C1C"]
["182970428","CCc1c(C)c(N=[N+]=[N-])c(C)c(-c2nc(C)c3c(n2)N(Cc2cnc(C)cn2)CC3)c1C"]
["168433580","C=C1CC(=C2[O+]=C(C)C(=C)C2C)C=C(N2CCN(CC3=CC(c4oc(C)c(CC)c4C)=CC(=C)N3)CCN(Cc3cc(-c4oc(C)c(C(O)=NCCCCCCN)c4C)cc(C)n3)CC2)[N-]1"]
["190441005","CCc1nn2c(C)c(C)c(C)c(C)c2c1CC1=NC(=Nc2c(CC)nn3c(C)c(C)c(C)c(C)c23)C(N)=CC1N.CCc1nn2c(C)c(C)c(C)c(C)c2c1N=C1N=C(Nc2c(CC)nn3c(C)c(C)c(C)c(C)c23)C(N)=CC1=N"]
["100742011","CCc1c(C)c2c(C)c(C)c(C)c(C)c2[n+](C)c1C1=C(C)CCC1"]
["181412852","CCc1c(C)c(N=[N+]=[N-])c(C)c(-c2nc(C)c3c(n2)N(CCc2ccccn2)CC3)c1C"]
["70236558","CCC1=C2Cc3ccccc3C2=NC1=Cc1[n-]c(-c2c(C)cc(C(C)(C)C)cc2C)c2cc(Br)ccc12.CCC1=C2Cc3ccccc3C2=NC1=Cc1[n-]c(-c2c(C)cc(C(C)(C)C)cc2C)c2ccc(Br)cc12.[Cu+2]"]
["100291185","CCc1c(C)c2c(C)c(C)c(C)c(C)c2[n+](C)c1-c1c(C)c(C)c(C)c(C)c1C"]
["172050686","C=C1C2=C(C3=C(C)C(C)=C(C)C3)C(C)C(=C)C2=C(C2=C(C)C=C(C3=C(C)c4c(C)c5c(c(C)c4C3C(C)C(C)C(C)C(C)C(C)C(C)C)C(C)=C(C)C5C(C)C(C)C(C)C(C)C(C)C(C)C)C2)C1C"]
["145634636","CCc1c(C)c(C)c2c(C)c3c(C)c(CS)c(C)c(C)c3c(C)c2c1C"]
["81431309","CC1=C2C=C3[N-]C(=C4c5[n-]c(c(C)c5C(O)C4C)Cc4[n-]c(c(C)c4C)C=C([N-]2)C1C)C(C)C3C.[Mg+2]"]
["23018787","CC(C)=CC1C=C(C)C(C)C2C(O)=NC(=O)C12"]
["53906372","CC1=C2C3OC(=O)C(C)C3CCC(C)(O)C2C2C1C1(C)C=C[C@@]23C1C1OC(=O)C(C)C1CCC3(C)O"]
["154169968","CC1=C[C@@H](C2=C(C)[C@@H]3/C=C(\\C)[C@@H](O)C[C@@H](C)[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O"]
["153499312","CC1=CC(=O)C2=C(C)[C@@H](O)C[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12"]
["106733601","Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)c3c(C)oc4c3CCCC4)n2)n1"]
["194729740","C=Cc1c2[n-]c(c1C)/C=C1\\[N-]C(=C3C4=NC(=Cc5[n-]/c(c(=C[O-])c5CC)=C\\2)C(C)=C4C(=O)[C@@H]3C(=O)O)[C@@H](CCC(=O)OC/C=C(\\C)CCC)[C@@H]1C.[Mg+2]"]
["97215001","CC1=CC(=O)C[C@@H](C)[C@]1(C)CCC1=CC(O)OC1=O"]
["168715449","COC1c2c(c(O)c3c(O)c4ccccc4[c-][c-]3c2=O)C=C(O)C1C.[V]"]
["9420166","Cc1cc(C(=O)CN2C(=O)[C@@](C)(c3ccco3)N=C2O)c(C)n1C[C@H]1CCCO1"]
["164106985","CC1=C2C(=O)/C(O)=C(/C)C([C@@H]3COC3CCN=O)C[C@](O)(C=C1)[C@H]2C"]
["69868857","CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CC1OCOC12C(=O)CO"]
["184142313","CCc1cc([I+]C)cc(CC)c1Nc1ccc(Nc2c(CC)cc(C)cc2CC)c2c(=O)[c-]3cc[cH-]cc-3c(=O)c12"]
["9268789","Cc1nc(N=C(O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)sc1Cc1ccc(Cl)cc1"]
["80374193","CCOc1ccc(NC(O)=NCc2ccncc2CC)c(C)c1"]
["181208998","CC(C)Oc1c(Nc2cccc(CN=[N+]=[N-])c2)c(=O)c1=O"]
["171021451","CCOC(=O)COc1ccc2c(c1)CC[C@H](CN)C2"]
["92744352","Cc1cccc(C2NC(C)C(=O)N2CC2CC2C)c1"]
["61440397","CCc1sc(C(=O)OC(C)C(O)=NCc2ccccc2)cc1C"]
["125506346","CCCc1sc(C(=O)NC(C)C#N)cc1CC"]
["167527018","CCOC(=O)Cn1nc(I)cc1C"]
["88237102","CCNC(c1cc(C)cc(F)c1)c1ncccc1CC"]
["119485541","CCc1cccc(C)c1Nc1cc(Nc2ccccc2C#N)nc(C)n1"]
["108033731","CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCO[C@@H]1C"]
["173320687","CCN1c2cc(SC)ccc2SC1CC1=CC2=CC(CC3=S=C4C=CC(=S)C=C4[NH+]3CC)CCC2CC1"]
["MCULE-1834022100","CSc1ccc(-c2cc(Cl)n3nc(C(F)F)c(C4CCC4)c3n2)cc1"]
["11508480","CCn1c(CSc2nc(C3CC3)n(-c3ccccc3)n2)nc2cc(S(=O)(=O)N(C)C)ccc21"]
["51958623","CSc1ccc2cc(CNCc3cc(C4CC4)n[nH]3)c(OCC(C)C)nc2c1"]
["2092780","CCN1CCC(N[C@H]2CCCc3c2c[nH+]n3-c2cccc(C)c2C)CC1"]
["130314858","CC1CCC(CC(=O)N2CC3CCC(=O)c4cccc2c43)C1"]
["108389802","CSc1ccc2c(c1)[C@H]([C@H]1Cc3ccccc3Sc3ccc(SC)cc31)Cc1ccccc1S2"]
["137742200","CCN1CCC(CCN=C(O)Nc2cccc(SC)c2)CC1"]
["7728194","CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1"]
["146182266","CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3CCC(C2)N3)c1.Cl"]
["191392453","CCN1C=CCc2ccc(SC)cc21"]
["170057117","C=CC1=CC2=C(CC1)CCC(c1cccc(SC)c1)C1CCCC21"]
["149995492","CCC(CC)C1CC12CC21CC12CC2(CC)C1CC1(CC)C1CC12CC2CCC(C)C1CC12CC21CC12CC21CC12CC21CC12CC21CC12CC21CC1(CC)C1CC12CC2CC"]
["173017546","C=C1CC2C(CCC3CC(C)(C)CCC32C)C2=CCC(C(C)CCC(C)C)C12CC"]
["194983254","C=C(CC)[C@@H](O)[C@H](O)C[C@H](CC)[C@@H]1CC[C@@]23C[C@@]12CC[C@H]1[C@@]2(CC)CC[C@H](C)C(CC)(CC)[C@@H]2C[C@H](O[C@H]2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@]13CC"]
["27373404","CCCO[C@@]1(CCCOCSCCF)C[C@H]2c3cc(C)c(C)cc3CCN2C[C@@H]1CC(C)C"]
["56742635","[CH-]=C1CCC[C@@]2(C)C1CC[C@@H]2C(C)CCC1C=C(C)C(=O)O1.[Y]"]
["75619325","CCC(CC[O])C1CC(F)(F)C1(F)F"]
["195467721","CC(/C=C/C1CC2(CO2)C[C@@H](CC(=N)O)O1)CCC1OC(C)C(N=C(O)/C=C\\C(C)OC(C)O)CC1C"]
["149772411","CCCCC1CC12CC21CC12CC2"]
["194854171","CCCC(C)CCC(CC)C1CCC2C3CC(O)C4=CC(=O)CCC4(CC)C3CCC12CC"]
["163529037","CCCCC(CC)C1C2CC(CC)CCCC2C2CC(N)(C(C)C)C(C)(N=O)C21C(C)C"]
["150378564","CCCC1(CC)CC12CC21CC12CC21CC12CC21CC12CC2C"]
["66803063","CCC(C)C1CN(CCC(C)(C)C)C(CC)(CC)CN1"]
["195992793","COC1=C(OC[I+]c2cnc(N(C)C)c(OCI=c3cnc(OC)c(OC)[cH-]3)c2)C=C(I)[N-][N-]1"]
["177941914","COc1cc(I)c(COC(Cc2ccc(Cl)cc2Br)C(F)(F)F)cn1"]
["MCULE-5760633542","COc1ncc(C(O)=NC2CCOC2=O)cc1-c1cccc(C)c1"]
["MCULE-9404016138","COc1cc(-c2cccnc2OC)ccc1N=C(O)C(c1ccccc1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["86149729","CCNCc1cnc(N(CCN(C)C)CC(C)C)c(C)c1"]
["77503441","COc1cc(C(C)=NN=C(O)C2C=NN=C2O)ccc1[O-]"]
["MCULE-9959411962","COc1ncc(C(=O)N2CCN(C(C)(C)C)CC2)cc1-c1cn(C)nc1C(F)(F)F"]
["107586090","COc1ccc2c(c1)[C@H](CN)N(c1cccc(N(C)C)c1)C2"]
["193754005","COc1cc(C(O)=NS(C)(=O)=O)ccc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(C(F)F)c1.COc1cc(C(O)=NS(C)(=O)=O)ccc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(C=O)c1"]
["MCULE-9607114078","COc1ncc(-c2ccc3c(c2)OCO3)cc1N=C(O)C1CC(=O)N(Cc2ccccc2)C1"]
["179981102","C=NCCOCCOCCOCCOc1cccnc1N(C)C"]
["16907223","C=CCOc1ccc(C(O)=[NH+]CCCCN(C)C(C)C)cc1OC"]
["171315980","O=CN(C1=CC=c2c1ccc1c2=NN=N1)c1ccn(-c2nn3cc2-c2ccc-3o2)n1"]
["179183845","c1ccn(-c2cc(-c3nnc(-c4ccc(-n5cccc5)o4)o3)co2)c1"]
["44992843","CC(C)CC(N=C(O)c1cc(Cl)cnc1-n1ccc(-c2ccccc2)n1)C(=O)C(N)=O"]
["2343183","CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\\c1ccc(-c2ccc(Br)c(C)c2C)o1"]
["103487387","Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O[C@H](C)C(O)=NCc2ccco2)o1"]
["119452069","CCCN(CCC)S(=O)(=O)c1c(C)nn(Cc2nnc(-c3ccc(Br)o3)o2)c1C"]
["MCULE-2432215807","Cc1ccc(-c2ccccc2CCC(=O)Nc2cc(C(C)C)nn2C)o1"]
["58806375","CCCN=C(O)C(C)OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(C)o1"]
["187463527","COc1nc(-c2cccc(-c3cccc(-c4ccc5nc(C=O)cn5n4)c3Cl)c2Cl)ccc1C=O"]
["152109011","O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)N=C1O"]
["69461167","Cc1ccn(-c2ccc(N(CCO)CCO)nn2)n1"]
["166425533","Cc1cnc(Cl)c2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12"]
["178497843","FC(F)(F)C(CC1=NC=C=N1)[N+]1=CC(C2=C3CC=CN=C3NC=N2)=C1"]
["195473762","C=CS(=N)(=O)N1CC(CC#N)(n2cc(C3=C4CCN=C4NC=N3)cn2)C1"]
["66544336","OCCC(CCO)n1cc(C2=C3CCN=C3NC=N2)cn1"]
["11703268","FC(F)(F)CN1CC[C@@H](N=c2ccc3nnc(-c4ccccc4)n3[nH]2)C1"]
["179496992","CNC(CC1=NC=CC1)C(C)=O"]
["194678438","CC1CN=C2NC=NC(C(=NN)C3CCC(NCC(F)(F)C(F)(F)F)CC3)=C21"]
["178237111","N=c1cc(N)cc(OCCOC2=NC=CCC2)[nH]1"]
["168493654","CC(C)Cc1cc2n(n1)C(C(F)(F)F)CC(C)N2"]
["26030384","C1=CN=C2NC=C[C]2N=1"]
["100671476","CCc1ccc(C(F)(F)F)cc1-c1[nH]c(C2=C3CCN=C3NC=N2)cc1C(=N)O"]
["90216235","CNC(C)Cc1csc(C(C)(F)F)n1"]
["65519716","O=C(O)c1coc(C2=C3CCN=C3NC=N2)c1"]
["79638618","[C+]1=C2[C-]=C[CH+]C=C2C2C=CCCC12CCC12[C-]=C3C=CCC=C3C1C=CCC2"]
["168174398","CC1COB(C2=CCC=C2)N1"]
["42604246","C1=CC(C[N-]CC[N-]CC[N-]CC2CCCC[N-]2)[N-]CC1.O=N[O-].[Co+2]"]
["194226123","[C-]1=C2C=C[CH+]C=C2CC1.[Zr+2]"]
["198018041","O=C(CC12CCC(CC1)OC2)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C=CC[C@H](C2)C1"]
["174766625","OC1(C2=CC(C3OCCO3)=CCC=C2)CCCC1"]
["70164967","CCC12CCC(c3ccc(C)cc3Cl)C(c3ccc(Cl)cn3)C1C(C)N=C2O"]
["180781326","CN(C)C1NC(CCC2CCC3(CC2)CC3NCCCCCC2C=CC([NH+]([O-])O)=CC2)=NC2=CCCC=C21"]
["154668684","C1=CC(c2cccc3c2=C/C(=C2/NNc4ccc(-c5cncc(CNCC6CCCC6)c5)cc42)N=3)=CC1"]
["176680710","C[Si-](C)(C)=C1[C-]=CC=C1.C[Si](C)(C)C1=CCC=C1.[Ti+2]"]
["167182805","[CH]1C=CC=C1C1CC2=C(CCCC2=Cc2ccc[cH-]2)C2C3=CC=CC3CC3C(=CC4=C[CH+]C=C4)CCCC132"]
["170118426","C/C(=C\\C=C/C1C=CCC=C1C(CC/C=C\\C/C(C)=C(\\C)SC1=C=CC1)CC(C)C)C(C)C"]
["79519357","CCO[Si](OCC)(OCC)C1(S(S)(SS#S(CCC2CC3CCC2C3)(SS(S)(#SS)C2([Si](OCC)(OCC)OCC)CC3CCC2(CC)C3)C2([Si](OCC)(OCC)OCC)CC3CCC2(CC)C3)#SS)CC2CCC1(CC)C2"]
["91838024","CCOc1ccc(C(N)C2CC3CCC2C3)cc1Br"]
["116370576","CCS(=O)C1CCCC(NC(=NC)NCCC2CC3CCC2C3)C1.I"]
["180175672","C=CCCC1CCC1CC1CC12CCC(C1CC1)CC2CCC"]
["58205503","CC(O)=NNCC1CC2CCC1C2.O=C(O)C(=O)O"]
["15896051","Cc1ccc(NC(=O)C(=O)NCC[C@H]2C[C@H]3CC[C@@H]2C3)cc1C(=N)O"]
["9950512","O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1"]
["134704631","CC1CCN(C(O)=NCCC2CC3CCC2C3)CC1n1ccnc1"]
["94866497","COc1c(O)ncnc1NCC1CC2CCC1C2"]
["140929959","COCCN(Cc1ccc(C)o1)C(O)=NCC1CC2CCC1C2"]
["50508590","CCCCOc1ccc(CNCC2CC3CCC2C3)cc1"]
["187761311","c1cc2c(nc1CCC1CC3CCC1C3)NCCC2"]
["198261849","C=CN=C1C(NC=C)=CC(C2CCCCCCC2)=CC1=NC1CCCCC1"]
["3224441","O=S(=O)(CCC(O)=NC1CCCCC1)Cc1csc(C2CCCCC2)n1"]
["MCULE-7363181341","CC(C)c1ccc(C=CC(O)=NCC(O)=NC2CCCCCCCCCCC2)cc1"]
["181381066","CCCCCCCCCNc1ccc(C2CCCCC2)cc1"]
["178690101","C=[C-]C1CCC(C2=CCC(C3CCCCC3)C=C2)CC1.[U]"]
["MCULE-6441685075","CS(=O)(=O)c1ccc(-n2ncc(C#N)c2C2CCCCC2)cc1"]
["119547227","CC(C)c1ccc(Nc2cnnc(=NC3CC3)[nH]2)cc1"]
["168664578","Oc1[nH]c2ccccc2c1C=NC1CCCCCC1"]
["21561457","C[C@@H]1CN(c2ccc(CNS(=O)(=O)C3CCCCC3)cn2)C[C@@H](C)O1"]
["134682723","Cc1cc2occ(C(=O)C(C#N)C(O)=NC3CCCCC3)c2cc1C"]
["28525921","Cc1cc(C2CCCCC2)c(-c2cc(C3CCCCC3)c(C)s2)s1"]
["106045872","CN[C@H]1CCCCC[C@@H]1c1cncnc1"]
["78358424","C1=C2[CH]C3(C=CC2=c2ccccc2=1)C=CC1=c2ccccc2=CC1=C3"]
["183579381","O=CCC1=C2C=c3ccccc3=C2C=CC1=O"]
["181397938","C1=C(C2[C-]=CC=C2)C=CC2C=1Cc1ccccc12.C[C]C(C)C.[Zr]"]
["81918635","C1=C(c2ccccc2)C=c2ccccc2=1.CCP(CC)c1ccccc1.[Ru]"]
["173525528","CCCCCCC1(C)C=C(C)C=C2C=c3ccccc3=C21"]
["161023277","OCC1c2ccccc2CCN1C(O)=NC1CCC2CNCC2C1"]
["183450351","C1=c2ccccc2=C2CCOCN2C1"]
["183928772","C1=c2ccccc2=C2COCC2N1"]
["171111970","N=C1C=CC2=c3ccccc3=CC2=C1c1ccccc1"]
["161815497","O=C1C=CC=c2ccc3cc4c(cc3c21)C=c1ccccc1=4"]
["76155540","N#CC(OC(=O)C1=c2ccccc2=CC(=S)C1=S)c1ccccc1"]
["25123303","C=C1C=CC2=c3ccccc3=C=C2[C]1C1=CC(C(C)(C)C)=C(C(C)(C)C)C1"]
["47971213","CCSC1=Nn2nc(C(C)C)nc2C1(N)Nc1c(SCC)nn2[nH]c(CC)nc12"]
["198022814","CC(C)c1nc(CC(=O)N=c2ccn(CC(C)(C)C)[nH]2)n(C)n1"]
["141022526","CCSc1ccccc1C(C)NCc1ccn(C2CCCC2)n1"]
["54215684","CCc1nc(=N)n(-c2cccc(C#N)c2)[nH]1"]
["86453617","CCc1nc(NC)cc(=NC(C)CC(C)CC)[nH]1"]
["175309547","CCc1nc2c(N3CCOCC3)nc(SCc3ccc(SC)cc3)nc2[nH]1"]
["86475527","CCCNc1cc(SCCC)nc(C(C)C)n1"]
["93056418","Cc1nn(C(C)C)c(NCCCc2ncc[nH]2)c1N"]
["43197521","CCCSCc1nc(NN)cc(C(C)C)n1"]
["58410782","COCc1ccc(-c2nc(C(C)C)n(N)c2N)cc1"]
["114677121","CCCNCCSc1nc(=O)c(=O)[nH]n1C"]
["138300550","CCc1nnc(CSc2nc3cc(F)ccc3n2CCOc2ccccc2)o1"]
["168347744","Oc1ccc(/C=C2\\N=C(S)C(C(O)c3cc(Br)c(O)c(Br)c3)=C2c2ccc(O)c(Br)c2)cc1Br"]
["19124883","Cc1nnc([C@@H]([NH2+]Cc2cc(Br)ccc2O)c2ccccc2)n1C"]
["176466729","NCc1cc(-c2ccc(Br)c(Br)c2)n[nH]1"]
["172430482","CC(O)c1ccc(Br)c(OC(=O)c2ccccc2)c1"]
["13623562","COc1cc(/C=N\\N=C(O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)ccc1O"]
["108909371","Oc1cc(OC(F)(F)F)c(F)cc1Br"]
["23769075","CCCCOc1ccc(C=C2N=C(S)N=C2O)cc1OC"]
["199600900","CC(C)Oc1c(Br)cc(C=NN=c2nc(O)c(C#N)c(-c3ccccc3)[nH]2)cc1B(O)O"]
["155185002","C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1"]
["MCULE-6572507917","COc1ccc(Cl)cc1C(=O)C=Cc1cc(Br)c(O)c(Br)c1"]
["69772054","COc1cc(C=C2N=C(S)N=C2O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]"]
["169024421","N#CC1C(O)=NC(S)=NC1c1ccc(-c2ccccc2Cl)cc1"]
["180445299","CN=c1[nH]c2c(s1)CCN(I=c1[n-]c3c(s1)CCN(I)CC3)CC2"]
["120818361","CN=c1[nH]c(C)c(C#N)s1"]
["93266627","CCC1CN(c2cc(C)[nH]c(=NC)n2)CCS1"]
["87362161","COCCN=c1[nH]c2c(s1)C(C)OC(C)C2"]
["29319076","CC[C@@H]1COCCN1c1cc(-c2cc(NC3CCCC3)c3c(=N)[nH][nH]c3c2)[nH]c(=NC)n1"]
["74797720","Cc1cccc(O)c1C=CCN1CCc2[nH]c(=N)sc2CC1"]
["92200538","CN=c1[nH]c(N)c(C(=O)N2CCN(C3CC3)CC2)s1"]
["88047500","CN=c1[nH]c(-c2ccc(C(O)NC)cc2)c(C(C)=O)s1"]
["162417418","CC(C)C1CCc2[nH]c(=NCc3ccccc3)sc2C1"]
["113366207","CN=c1c2c([nH]c3c(C)cc(Br)cc13)CCOC2"]
["186252928","O=C(c1cc2ccccc2[nH]1)N1CCc2[nH]c(=N[C@H]3C[C@H](O)C3)sc2C1"]
["76035759","CC(C)(C)OC(=O)N1CCC[C@H]1CN1CCc2[nH]c(=N)sc2C1"]
["58252805","[Cs+].[O-]N([O-])c1nccn1CC(O)CC12[B+]B([B]C1)B1B3B4B3B4B12"]
["113448409","c1cn(CC2CC2)c(NC2CCCC2)n1"]
["50617075","CN(C)C[C@@H](CN=C(O)Nc1cccnc1-n1cccn1)[C@@H](O)c1ccccc1"]
["135842501","CC(C)Cn1ccnc1N=C(O)C1CCC(F)(F)CC1"]
["144197520","O=[N+]([O-])c1cccc(CC(O)=NCc2nccn2CCc2ccccc2)c1"]
["74371492","CN(C)c1ccnc(N[C@H]2CC[C@@H](N=C(O)C3(c4ccc(Cl)cc4)CCCC3)CC2)n1"]
["128029199","CN(CCCO)C1CCN(C(O)=NCc2cccnc2-n2cccn2)CC1"]
["18202763","C[C@H]1CCC[C@@](CNC(O)=NCc2ccc(-n3c[nH+]cn3)nc2)(N(C)C)C1"]
["186429409","COCCn1ccnc1C1N(C(=O)c2cc(=O)cc[nH]2)CC1(C)C"]
["173081400","C=C(O)Cn1ccnc1[N+](=O)[O-]"]
["21113740","OC(=NCCc1nccn1CC(F)(F)F)Nc1ccc(-n2c[nH+]cn2)cc1"]
["148144862","Cc1nccn1CCN=C(O)C1CC2CCCC(C1)C2N"]
["180345318","[B+]C1CCC2(I)C3CC4=C(C(=[B+])[C-](OC)[CH-][CH-]4)C2(CCC3C)[C@@H]1[B+]"]
["6853130","CC(=O)c1csc(N=C(O)[C@]2(N=C(O)OC(C)(C)C)CC[C@@H](C)CC2)n1"]
["16996566","COc1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)c2ccc[nH+]c12"]
["175878199","COC1CCC2C3CCC4=CC(=O)CCC4(C[O-])C3CCC12C.[Rb+]"]
["184342288","CC1C2CCC12CC1CC1CCC1=CCCC1"]
["180321119","CC/C=C\\C1(CC)CC[C@@H](C)[C@H]1C"]
["158915692","COCC1(S(=O)(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1"]
["33660899","CC1=C(C)[C@@]23CC[C@H](C)[C@@H]2CC[C@@]3(C)C1"]
["189264290","CC1CCC2(C)CCCC3(C)CCC1(I)B23"]
["1618023","CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C[C@@H]12)C(=O)[C@@]12CC[C@@H](C)[C@@H]1CC[C@@]32C"]
["195898146","C=C1C(=O)[C@]23CCC1CC2[C@]1(COS(=O)O)CCC[C@H](C)C1C[C@H]3O"]
["197533178","CC1OCCC1C1(C(O)C(=O)O)CC1"]
["59369544","C1=CN(Cc2nc[n-]n2)CN1C=C1N=C[N-][N-]1.[Ti+3]"]
["175097555","COc1ccc(CN(c2cscn2)S(=O)(=O)c2c(F)ccc(Cl)c2OC(=O)N2CCCC2)cc1"]
["23323630","CCC1=CC23C=CC=CN2c2ncc(S)n2C3=CC1"]
["MCULE-3256395112","CN(Cc1cscn1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1"]
["136381675","CN(Cc1cscn1)C(O)=NCC1(c2ccccc2Cl)CC1"]
["81315449","Nc1ncccc1CN1CC2C3CCC(C3)C2C1"]
["CSSS03559024654","C=CC1(NCc2cc(Br)cnc2OC)CC1"]
["86319562","CNc1cn2ccnc2c(NCc2nc(C)cs2)n1"]
["109940181","O=S1(=O)C[C@@H](N=C(O)COc2ccc(F)c(Cl)c2)[C@@H](N2CCCC2)C1"]
["172769299","CCOc1nsnc1C1=CC=CN(CC)C1.I"]
["89190246","Cc1ncc(C(CCN)C2CC2)s1"]
["147584767","CC1(C)CN(c2nccnc2Cl)CC1CO"]
["66456162","[CH2-]CC.[CH2-][n+]1ccc2c3[n-][c+](-c4ccco4)[n-]n3c(=N)[nH]c1-2.[Y]"]
["69147682","CCn1/c(=N\\C(=O)c2ccco2)sc2cccc(OC)c21"]
["177536460","CCc1nc2ccc(-c3cc4c5c(c3)OCc3cc(-c6cnc(C(C)C)[nH]6)cc(c3-5)OC4)cc2[nH]1"]
["22037748","CCCC[C@H](CC)CN1C(=O)C([O-])=C(C(C)=O)[C@@H]1c1ccco1"]
["25002618","CC1(c2ccco2)Nc2ccc(O)cc2S1"]
["23507541","CCCN=C(O)C(C)N1CCC(C(O)=NCc2ccco2)CC1"]
["12602169","CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C)c(C)c3)N2C1=O"]
["125619836","CCSC(C(O)=NNC(O)=NCc1ccco1)C(C)C"]
["161687175","CCOC(=O)C(Cc1ccco1)C(C)=O"]
["80585839","COc1ccc(C(O)=C2C(=O)C(=O)N(CCC[n+]3cc[nH]c3)C2c2ccco2)cc1F"]
["13645500","CCCc1cc(Nc2ccc(Br)cc2)n2nc(-c3ccco3)nc2n1"]
["56950664","CCN(Cc1ccco1)Cc1cc(CN)c(C)o1"]
["96618893","N#CC1=[C+]C(C#N)=[C-]C(C#N)(C2(C#N)[C-]=C(C#N)[C-]=C(C#N)C2)C1"]
["120721763","Cc1cc(Cl)c(NCC2(C#N)COC2)cc1F"]
["112736025","COC1(CNc2cc(C)ccc2C#N)CCC1"]
["96296680","CC1(C)CCC(C#N)(Cc2cc(F)ccc2Cl)C1=O"]
["52586934","CC1CC(=NNC(=O)C(N)=O)CC(C)(C)C1"]
["53384787","C=C(OCC)C1(NS(=O)(=O)CC[Si](C)(C)C)c2cc(Br)ccc2CC12CCC(OC)CC2"]
["111997784","CC1(CNc2ccc(Cl)cc2C#N)CC1"]
["CSSS02412782927","Cc1[nH]c(=NC2CS(=O)(=O)C2(C)C)sc1C#N"]
["42158154","CCOC(=O)C(C#N)=CNc1ccc(-n2nc(Br)c(Br)c2Br)cc1"]
["179478555","Cc1cc(C#N)cc2c1C(NS(N)(=O)=O)C(F)(F)C2"]
["90236469","Cc1cc(C2(C#N)CC2)c(C)c(Br)c1O"]
["182207589","CNc1c(C#N)c(Br)nn1[C@H]1CCN(C(=O)O)C1"]
["175365134","[B+]=C1C2=[C-]C(C(C)(C)C)[C-]=C1CC1=[C-]C(C(C)(C)C)C=C(CC3=CC(C(C)(C)C)C=C(CC4=CC(C(C)(C)C)[C-]=C(C2)C4=[B+])C3=[B+])C1=[B+]"]
["69599756","CC(C)(C)C1CC(=O)OC1C(C)(C)C"]
["109369225","CCCc1ccc([C@]2(C)C[C@H]2CNC(C)(C)C)cc1"]
["161038681","COc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C3CC3)C2)cc1C"]
["74930301","CC1=C[C@@H](N=C(O)OC(C)(C)C)C[C@@H](c2ccncc2N)C1"]
["164454356","CC1=C[C@@H](C)CCC(N)=C1C"]
["95983190","COC(C)(C)CNc1c(F)cc(N)cc1F"]
["MCULE-5610934492","COc1nc(C2CC2CN=C(O)OC(C)(C)C)ccc1N"]
["75553812","CC1=CC(C(C)(C)C)CN1"]
["174070192","CC1=C(C)NC2=CCC=C2N1"]
["170561936","CC(C)(C)C1=NC(C(C)(C)C)C(C)(C)CC1(C)C"]
["46363974","COCCN(CCC(=O)c1cccc(Cl)c1)C(C)C1CC1"]
["184239186","CCNCCC1(OC2C=C=CC(C(C)(C3C=CCC(OC4C=CCC(S(=O)[O-])CCC4)CCC3)C(F)(F)F)CCC2)C=CCC(C)CCC1"]
["111634992","CCCNCCC1(Oc2c(OC)cccc2OC)CCC1"]
["28732856","CC[C@@H]1C[C@]1(N=C(O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)N=C(O)OCCC/C=C/c1cc(OC(F)(F)F)c3ccnc(c3c1)O2)C(O)=NS(=O)(=O)C1CC1"]
["84824248","CCNCC1(CN(C)CC2CCCN2C)CCCC(C)C1"]
["45165052","CO[C@]1(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C[C@H]2C(=O)CCC[C@]21C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)(C)c1ccccc1"]
["113098174","CC1CCCC(CNC2CC2)(OCCC2CC2)C1"]
["105595162","CCCN[C@](C)(CCCCOC1CCC1)C(=O)O"]
["111635782","CCCNCCC1(OC(C)C(F)(F)F)CCC1"]
["112538184","CC1CCCC(OCC(O)CNCC(O)C(F)(F)F)C1"]
["112957678","CCNCc1cc(S(=O)(=O)NC2CCCC2C)c(C)s1"]
["85152233","CCNC1(CO)CCCC(OC2CC(C)CC(C)(C)C2)C1"]
["119964783","CCNCCC1(OC2CCC(C)C(C)C2)CCC1"]
["172155534","C1=CC2C=CC=1c1cccc(n1)Oc1cccc(n1)C1=C=CC(C=C1)C1=CC3c4c(cccc4C4[C-]=CC=C=C4[C-]3C=C1)CC2.[Pt+2]"]
["108530404","Cc1cccc2c1[C@@H](c1cccc(Cl)c1Cl)NCC2"]
["91846747","NCC1(c2nc(C3CCc4ccccc43)no2)CC1"]
["163544832","CN(C)C1CN(C2CCc3cccc(F)c32)CC1c1ccc(-c2cnn(C)c2)cc1"]
["175410230","O=C(c1ccc2nc[nH]c2c1)N1CCCC2c3c(F)cccc3CCC21.[HH]"]
["100530946","Cc1cccc2c1[C@@H]1CCc3cccc(c31)OP(N(C)C)O2"]
["126879154","Cc1nnc(CC(O)=NC2CCc3cc(Cl)ccc32)o1"]
["156285239","O=C(c1ccc2nc[nH]c2c1)N1CCC[C@@H]2c3c(O)cccc3CCC21"]
["87153886","Cc1ccc(CC(Br)C2C3CCc4ccccc4C32)nc1"]
["172901075","[Pt+2].[c-]1c2cccc1-c1cccc3c1[n-]c1c(cccc13)-c1cccc(n1)-c1cccc(n1)O2"]
["104622231","Cc1cccc2c1O[C@@H](c1ccccc1C(=O)O)CC2"]
["175592451","Cc1ccc(-n2nnc(C)c2COc2cc3c(cn2)CN(C2CCO2)CC3)cn1"]
["198178806","CC(c1nccnc1-n1nccn1)N(C)c1ncnc2c(C(F)(F)F)cc(C(F)(F)F)cc12"]
["187326957","CCc1nn2c3c(cnc2c1N)N(C(O)Nc1cnc(-n2nccn2)c(Cl)c1)CC3(C)C(F)(F)F"]
["91752677","CC(C)CN(C)CC(N)c1cnn(C)c1"]
["95714409","CC(CO)C(C)NCc1ccc(F)cc1C(F)(F)F"]
["182080482","CC(C)(C#N)c1ccc(Nc2nc(N3CCCCC3)nc3c2CCC(c2ncccc2C(F)(F)F)CN3)cc1"]
["154821500","COc1cc(N(C2CC2)C2CCN(Cc3c4c(nn3C)CCC4)CC2)ncn1"]
["118439689","CN=C(NCCc1nc(C(F)(F)F)cs1)NCc1cccnc1N1CCN(C)CC1.I"]
["63232011","CC(N(C)CC(O)=Nc1cc(C(F)(F)F)ccc1-n1cncn1)C(C)(C)C"]
["MCULE-2862851480","COc1cc(F)c(-c2cnc3c(c2)CCN3C(=O)c2cnccn2)c(F)c1"]
["96738283","FC(F)(F)c1cc(C(F)(F)F)c([SeH])c(C(F)(F)F)c1"]
["126511054","CC(C)c1cc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)n(C)n1"]
["95249097","CNC(c1cc2cccc(F)c2o1)c1ncccc1F"]
["82255196","C1=CC2=C3NNCN3CC(C1)N2"]
["175560386","CC(=O)C12CN(C(=O)c3cc(C(C)C)[nH]n3)CC1C2C(O)=NN"]
["56864516","CC1C=CCC(C2=C(N)CC3NC4=C(C=CCC4)C3=C2)C1"]
["46566519","CC1=CC=CCC1C(O)=N[C@H]1CCCCN(CC(O)N2CCCC2)C1=O"]
["156195256","CC(C)N1C[C@H](c2ccc(N)cc2)Nc2ccccc21"]
["95255382","Cc1nc(N2CCC3CCC(C2)N3)cc2nnc(O)n12"]
["174092097","[B]C(C)(C)C1CC=CC1=O"]
["MCULE-9207850650","CC1CN(c2nnc(C(C)C)s2)CCN1"]
["120570034","CC1CN(C(C)C)c2c(N)cccc2N1"]
["148667770","CC(C)C1=C(O)C=C2C=CCCC2N1"]
["189234960","ClC1=C(C2CNC2)C(Cl)CC=C1"]
["75552071","COCC1=C[C@@H](C)CC=C1"]
["179879379","[OH+]=C1[N-]CCC2=C1C1CC1C=[N+]=C2"]
["162469609","Cc1cc(C2CC(C)CCC2N)sn1"]
["184508415","CCC1(O)C(=[OH+])C=CC2=C1CC2"]
["195683155","C=C1C=CC2CC2C1=C"]
["25124626","CC1=CC2CC1C(Cl)C2Cl"]
["180357010","O=C(O)C1CC1C1=CC=C(F)CC1"]
["149966847","NCC1=CC=CC2CC12"]
["97206932","O=C1CCCC2=C1C(c1cccc(B(O)O)c1)NC(O)=N2"]
["178708474","C=C(N)C1=CCCC2=C1[C@@H]1CCN[C@@H]1CC2"]
["185941609","OC1C=CC2=C(CCC2)N1"]
["97152087","O=C1CCCC2=C1C(c1ccc(B(O)O)cc1)NC(O)=N2"]
["24858481","O=C1CCCC2=C1C(c1ccc(Cl)cc1)C1CCCCC1=N2"]
["67284344","C[SiH]1O[O+]=[Si]O[Si]2=[Si-](C)(CCC(C(F)(F)F)C(F)(F)F)OCCCC21"]
["175456428","COc1cc(C(F)(F)F)cc(SC)c1NCCC[C@@H]1CCCOC1.OC1CCNC1"]
["112347580","CC(C)(F)C(CCN)C1CCCCC1"]
["96018478","CCCC(CCC)C(NC)C1CCC1"]
["101039870","CCO[C@@H]1OCCC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1O"]
["194668573","CC1OCCOC1C(C)(C)CC(C)(Cl)C(F)(F)F"]
["173233431","CCC[C@H](N)CCC1CCCO1"]
["82334961","COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(O)=NC(Cc3ccncc3)C(=O)O)cc21"]
["87198350","CN(CCCOCC(F)(F)F)CC1CNCCO1"]
["82199375","CC=CC(=O)C(F)(F)C(CC(C)C)C1CCC2OC(=O)CC21"]
["42916014","CCCCCC(C(=N)N)(C1CCCO1)C1CCCO1"]
["198840896","Cc1c(C2CCOCC2)[nH][nH]c1=NC(O)=NC1(C(F)(F)F)CCCC1"]
["33530370","N[C@@H](CCSC[14C@H]1O[14C@@H](n2[14cH]n[14c]3[14c](N)n[14cH]n[14c]32)[14C@H](O)[14C@@H]1O)C(=O)O"]
["52700893","Cl.Cl.Cn1ccnc1N=C(O)C[C@H](N)C(=O)O"]
["82403530","C=C1N=C(O)C2NC3CC(C)C(C)CC3N(CCNCCCCC(N)C(=O)O)C2N1"]
["44559318","CSCCC(N=C(O)C(CC(=N)O)N=C(O)C(CC(=N)O)N=C(O)C(N)CC(=N)O)C(=O)O"]
["171733069","Cl.Cl.N=C(NCCC[C@H](N)C(=O)O)SCCF"]
["22263247","NC(CCS)C(=O)O.NC(CCSCC(N)C(=O)O)C(=O)O"]
["79600929","CS(N)(=O)=O.CSCC[C@H](N)C(=O)O"]
["115731263","CSCCC(N/C=C(/C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O"]
["50071357","CC(C)c1nc(CSCCC(N)C(=O)O)no1"]
["65332452","N[C@H](CCSCOC(C(=O)O)c1ccccc1)C(=O)O"]
["177124642","CC(C)(C)OC(=O)C(SSCC(N)C(=O)O)C(N)(C(=O)O)C(=O)OC(C)(C)C"]
["153378955","N[C@H](CCSSCCC(=O)O)C(=O)O"]
["173739502","[B+]=c1ccc(=C=C=c2ccc(=[C-][C-]=c3ccc(=[B+])cc3)cc2F)cc1"]
["MCULE-2250012547","CC(C)(C#N)c1ccc(-c2c(F)cc(F)cc2F)c(F)c1"]
["65362851","OC(CCCl)=NC(O)=Nc1ccc(Br)c(F)c1"]
["84708798","N#CN=C(O)C=Cc1ccccc1F"]
["171894073","O=C(O)c1ccc(C(O)C(O)CCCl)cc1F"]
["155864804","C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1"]
["119990313","CC(C)C1CCN(c2ccc(C#N)c(F)c2)CC1"]
["73517082","N#Cc1ccc(OCC=Cc2ccccc2)cc1F"]
["MCULE-2857263811","OC(Cc1ccc(F)c(F)c1)=Nc1ccc(-c2ccccc2)cc1F"]
["MCULE-5526117031","Cc1nc(F)ccc1-c1ccc(N=C(O)COC(C)(C)C)c(F)c1"]
["74676687","O=C=C1C=C[C](c2ccc(F)c(F)c2)O1"]
["65644779","N#C/C(=C(\\Cl)c1c(F)cccc1Cl)c1ccccc1"]
["184556757","CC1CO[C-]2[C-](C[I+]C[C@H]2C2[I+][C@@H](C)C[C-]3CCC(C)O[C-]32)O1"]
["17527507","C[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)N(C)c1cccc2ccccc12"]
["109334969","C[C@H]1CC[C@H](Br)[C@H](Cc2cccc3ccccc23)C1"]
["195695416","CC1C[I+]CCC(ON([O-])[O-])C1"]
["180946111","C[I+]C1[C-]=C2COCO[C-]2CC1"]
["192156832","[CH2-][C-]1C[I+]CCN(C)C(C)C1"]
["158550852","CC(=O)N(C)C1CCN(C(O)=NC[C@H]2CCO[C@H](C)C2)CC1"]
["86842523","CC1CCC(C(=O)N2CC(O)CC2CN(C)C)O1"]
["60689414","CCCN(C(=O)CC1CC(C)OC(C)C1)C(C)C(C)F"]
["136202747","Cc1cc(=NC(=O)CN(C)C(=O)C(C)C2CC2)[nH]o1"]
["133802190","CC(=O)N1CCCN(C(O)=NCCN2CCCC(C)C2)CC1"]
["158398225","CN(CCS)[C@H]1CCCOC1"]
["167443718","CC1(C)C#Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C(C)(C)C#CC(C)(C)C#CC(C)(C)C#C1"]
["97907504","CC1(C)C#CC#CC(C)(C)C#CC(C)(C)C#CC(C)(C)C#C1"]
["171669998","CC1(C)[C@@H](/C=C(\\Cl)C(F)(F)F)[C@@H]1Cc1c(F)cccc1Cl"]
["93378882","CC1CC(C#N)(C(O)=Nc2c(F)cccc2Cl)C1"]
["48936998","COC12C=C(C)C(c3c(Cl)c(Cl)c(Cl)c(Cl)c31)C1(C2)OCCO1"]
["109260990","CO[C@]12C=C[C@@H](c3c(Cl)c(Cl)c(Cl)c(Cl)c31)C1(C2)OCCO1"]
["51207998","CN1[C@@H]2CC[C@H]1CC(Oc1sc(Cl)c(Cl)c1Cl)C2"]
["25214888","CCC1(C)N=C(c2cc(Cl)cc(Cl)c2)OC1=CBr"]
["171519689","CC1(C)CS(=O)(=O)c2ccc(C(=O)O)c(Cl)c21"]
["127385189","CCOC1CC(N=C(O)c2cc(Cl)sc2Cl)C12CCC2"]
["156008634","C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H]2c2ccc(Cl)s2)N1"]
["96821233","ClC1=C(Cl)C2(C(Cl)=C(Cl)C1(Cl)Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c12"]
["168603829","C=CCSC1(C=O)N=NC(S)(C=O)c2[nH]c(-c3nc4c(S)nnc(S)c4[nH]3)nc21"]
["175740611","N=C([O-])CCC(NC(O)=C1C=CC(=NCc2cnc3[nH]c(=N)nc(O)c3n2)C=C1)C(=O)O.[K+]"]
["MCULE-9770678311","C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-]"]
["86389984","C=CCCCOc1cc(C)[nH]c(=NC)n1"]
["59660318","C=CCSc1nnc(N)c(=O)n1N"]
["MCULE-9419744524","C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCCCC)c(OC)c1"]
["154072176","C=CCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1"]
["119547531","C=CCN=c1nncc(N2CCN(C=O)CC2)[nH]1"]
["MCULE-4459985941","C=CCSc1nnc(COC)n1N=Cc1ccc(OCCCCCC)c(OC)c1"]
["187409412","CC(C)N=c1[nH]c(-c2cccnc2)nc2c1CCC21CCCN(Cc2nccn2C)C1.O=CO"]
["165789477","C=CCCn1c(O)c(F)c(O)nc1=O"]
["18917557","C=CCSCC([O-])=Nc1ccc2oc(O)nc2c1"]
["168393779","COC1=NC2=CC(C=O)=C(SSC3=C(C=O)C=C4N=C(OC)N=C4C3=N)C(=N)C2=N1"]
["43738808","COC[C@@H](C)NC(=N)SCc1cc(=O)n2ccsc2n1"]
["165585688","COCc1cc(Oc2ccc(C=O)cc2Cl)nc(C(C)(C)C)n1"]
["3180245","COc1c(C=O)cccc1O[C@H](C)C(=O)[O-]"]
["162901080","CSc1ccc(C=O)c2sc(O)cc12"]
["94515353","COc1cc(Cl)cc(C=O)c1OCCCF"]
["22813521","CCOC(=O)C(=CNc1cccnc1OC)C(=O)OCC"]
["60207589","COc1c(C)cc(C=Cc2cc(C)c(OC)c(C)c2)cc1C"]
["242001","CCCCOc1ccc(/C=C2\\SC(=O)N=C2O)cc1"]
["87871083","CC(C)c1ccc(-c2nocc2C=O)cc1"]
["176294020","COc1cc(Br)cc2nc(-n3c(C)ccc3C)nn12"]
["90052473","COc1ccc(C)c2c1N=C(O)C21CCC1"]
["46705348","Cc1c(C)c2c(c3c1NC1=NC(C)C(C)[CH-]N13)C(C)C(C)O2.[Rf]"]
["31942805","CC1Oc2c3c(c(/C(=C\\C(=O)O)c4ccccc4)c(O)c2C(=O)C1C)OC(C)(C)C=C3"]
["104386406","COC(=O)c1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)s1"]
["76626025","Cc1c(C2CC(C(F)(F)F)N3NCCC3=N2)cnn1C"]
["48216985","CC1=C(C(O)=Nc2cccc(C)c2C)C(c2ccc(Br)o2)N2NC=NC2=N1"]
["146394681","CC1CNCCN1Cc1nc(-c2ccccc2)no1.Cl"]
["16169432","Cc1c([O-])c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)OC2=O"]
["146549095","C[C@@H]1CNCCN1Cc1nc(C(C)(C)C)no1.Cl"]
["163075542","CCOC(=O)C1=NNC2=NC(C)C(O)=NN21"]
["156970180","C[C@@H]1CC[C@H]([C@@H]2N=C(O)NC2=N)O1"]
["159727960","COC(C)c1noc(CN2CCCC2c2cc(C)no2)n1"]
["424533","Cc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@H]5C)O[C@H](C)[C@H]2C"]
["179163156","C.CC(C)(C)C#CC1=[C-]C([NH-])C(=C=O)S1.[U+2]"]
["75006873","COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)[C@@H]1CCC(=O)C(CN2CCCC2)C1"]
["99849737","CC(C)(C)C1SC(=C(C(N)=O)C(=O)O)S1"]
["59505979","CC(C)(C)C#CC#Cc1ccc(C(=O)N[C@H](C(O)=NO)C(C)(C)N)cc1"]
["64613102","C=C1C=CC(N(C)NC2CCC(N(C(=O)C3CCC(C)CC3)c3cc(C#CC(C)(C)C)sc3C(=O)O)CC2)=NN1"]
["74301739","C[C@H](C(=O)N1CCOCC1)C(Nc1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1"]
["172310634","COC1C(=C=O)SC(Cl)=C1Br"]
["157791116","CC(C)(C)C#CC[C@@]1(C)CC[C@@H](O)C1"]
["170609131","CC[C-](C#CC(C)(C)C)CC.[Ho]"]
["82922337","CC(C)(C)C#Cc1cc(NC2CCN(S(=O)(=O)C3C=NC(=O)N=C3)C2)c(C(=O)O)s1"]
["187912640","CC(N[S@](=O)C(C)(C)C)c1cc(F)cc(C#N)c1"]
["74710116","COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCC2(CCCO2)CC1"]
["73821985","N=[N+]=C1C=C2C=C[C]3[CH+]CC=c4ccc(c2c43)=C1"]
["115208986","CCC(O)c1ccc(N(CC(=N)O)CC(C)C)cc1"]
["195998265","CNC1CC=C(C)C=C1C#N"]
["99440444","CC(C)c1nn2ccccc2c1C1=CC(=[As-])[CH+]C=C1"]
["181459403","N=C(O)C1=CCC(CO)(C(=N)O)C=C1"]
["191524896","CC(C)c1cccc(C2=CCN=C2)c1"]
["89364581","CNC1CCc2n[nH]cc21"]
["62999318","Brc1cccc2c1-n1ccc3c1C(=CCC3)C=N2"]
["192240412","CC(C)C1=Cc2nccc(C(=O)O)c2C1"]
["173403044","CC.CC1C=CC(C(=O)O)=CC1.O=C(O)c1ccccc1"]
["199963695","CC1C=c2cc(C(C)C)ccc2=CC1"]
["150062673","CCC1=CCC(CC(C)CC)C=C1"]
["181314181","C[Si](C)(C)CCOCN=C(O)C1(COCC[Si](C)(C)C)N(COCC[Si](C)(C)C)C(COCC[Si](C)(C)C)(COCC[Si](C)(C)C)C(COCC[Si](C)(C)C)(COCC[Si](C)(C)C)N1COCC[Si](C)(C)C"]
["193642936","C/C(=N/O)c1nc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cn1COCC[Si](C)(C)C.C/C(=N\\O)c1nc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cn1COCC[Si](C)(C)C"]
["79145594","CC(C)(C=O)Cc1cn(COCC[Si](C)(C)C)c2ncc(OC3CCCC3)nc12"]
["80898818","CC(O[Si](C)(C)C(C)(C)C)C(N=C(O)OC(C)(C)C)C(C)(O)CCO"]
["174143152","Cc1cc2c3c(c1)c(=O)n(C)c1c(Br)nn(c31)CC2OCOCC[Si](C)(C)C"]
["150426290","C[Si](C)(C)CCOCn1c2cnc(C#N)cc2c2c(N3CCCC3)ccnc21"]
["137382766","COC(=O)CC1CCCN1C(O)=NCC1(OC)CCC1"]
["164389345","COCCC1(N=C(O)c2ccccc2)CCN(C(=O)c2ccco2)CC1"]
["190014171","Cc1cc(CN=C(O)C2CCC2)nn1C"]
["90642991","C[Si](C)(C)CCOCOC1C(OCOCC[Si](C)(C)C)C(Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=NC#N)N(Cc2ccc3ccccc3c2)C1Cc1ccccc1"]
["149947070","CC(C)(C)[Si](C)(C)OC1COC2C(Oc3nc4cc(Cl)c(-c5ccc(C6CCC(N=C(O)OC7CCCC7)CC6)cc5)nc4n3COCC[Si](C)(C)C)COC12"]
["199230815","C[C@@H](Oc1cc(NS(=O)(=O)CC(F)(F)F)ccc1-c1nn(COCC[Si](C)(C)C)c(N=c2cncc[nH]2)c1C(=N)O)c1ccc(F)cc1"]
["196790022","C1=CNP2(=NP3(=NP4(=N2)NC=CN4)CC=CN3)C1.CP1(C)=NP(C)(C)=NP2(=N1)NCCNP1(=NP(C)(C)=NP(C)(C)=N1)NCCN2"]
["182837339","CC(F)(S)C(O)c1cccnc1"]
["46252282","O=S1(Cl)=NP2(=NS(=O)(Cl)=N1)NCCN2"]
["25574858","CP1(C)=NP(C)(C)=NP2(C)=NP(C)(C)=NP(C)(C)=NP(C)(=N1)N2"]
["108547660","CN(C)c1ccc2c(c1)[C@H](CNCc1ccccc1)NCC2"]
["96268757","CCC1(Cc2cccnc2)CCCCCN1"]
["176254368","[2H]C1([2H])CCc2sc3c(c21)CN=CN3"]
["82154987","CN=C(O)C=C(c1cccnc1)C1CCC2C(C1)NNC2OC"]
["68513544","Cc1ccc2c(c1)c1c(n2Cc2cccnc2)CCCNC1"]
["184956872","CP1(C)=NP(C)(C)=NP(C)(I)=N1"]
["57391748","CCCC1(C(=O)N(Cc2cccnc2)C(C)C)CCNC1"]
["112567616","OC(Cc1cccnc1)C1C2C3CCC(C3)C12"]
["183213551","Fc1ccc(C=NN=c2ncnc3[nH][nH]cc2-3)cc1"]
["7817387","O=C1CCC(C(O)=Nc2ccc(F)cc2)=NN1[C@@H]1CCS(=O)(=O)C1"]
["152474011","O=C1C=CC(=CNN=C(O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C=C1"]
["7680856","C[C@H](Sc1nccc(O)n1)C(=O)Nc1ccc(F)cc1"]
["64029338","N=C(O)C1CCN(CC(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)CC1"]
["197965166","CCn1ncc2c1CC(C(=O)N1CC(Oc3ccc(F)cc3)C1)CC2"]
["83404555","OC1=NC(C=Cc2ccc(F)cc2)CC(C(F)(F)F)N1"]
["131363238","CCc1nc(-c2ccccc2N=C(O)C(C)=Cc2ccc(F)cc2)n[nH]1"]
["152293223","Cc1ccc(N(CC(O)=N/N=C\\c2ccc(Br)cc2)S(C)(=O)=O)c(C)c1"]
["MCULE-4106255188","O=C1C(=Cc2ccc(F)cc2)SC(=S)N1Cc1ccccn1"]
["186864480","O=C(O)[C@H]1C[C@@H](C(O)=NCc2cccc(Oc3ccc(F)cc3)n2)C1"]
["175771593","CN1c2ccccc2SC1/C=C/c1ccc(F)cc1"]
["192736108","[2H]c1c(C)c([2H])c(C)c([N-][N-]c2c(C)c([B-]([B+])=[B+])c(=[B-]=[B+])c(=[B+])c2C)c1C"]
["67839059","[2H]c1c(C)c(C)c(C)c(N)c1C"]
["45433741","Cc1cccc(C(C)S)c1C"]
["192011569","[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc3c(cc12)CCC3"]
["173764374","[B+]=c1c(C)cc(=C[NH-])cc1C"]
["184495564","Cc1cc2c(=N)[nH]sc2cc1I"]
["49823893","[2H]c1c(C)c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c(O)c1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]"]
["58072723","Cc1cccc(NC2CCCCC2c2ccccc2)c1C"]
["170526845","Cc1cccc(C)c1[B-](=C1C=CC=C1)c1c(C)cccc1C.Cc1cccc(C)c1[B-](=C1C=CC=C1)c1c(C)cccc1C.[Fe+2]"]
["63633124","Cc1cc(OCC2CNC2)ccc1F"]
["74557797","[2H]c1c(C)c(C)c(O)c(O)c1C"]
["46331388","[B+][B-](=[B+])c1c([N+]2=C(O)C(C)=C(C)[N-][C-]2C)c(C)c(=[B+])c(=[B-]=[B+])c1C"]
["193581757","C#CC1(C#C)Oc2c(Cc3c4c(c(C(=O)[O-])c5c3SC(C#C)(C#C)S5)SC(C#C)(C#C)S4)c3c(c(C(=O)[O-])c2O1)OC(C#C)(C#C)O3.[Na+].[Na+]"]
["45889966","CNCC(=O)N1CCc2cc3c(cc2CC1)OOC3.Cl"]
["171368913","O=C([O-])c1ccc(C#CC23CC4CC(CC(C4)C2)C3)cc1.[K+]"]
["59833429","CCC(C(C)=O)=C1COC(C)(C)O1"]
["199377555","C1COCCO1.O=C(O)/C=C(/C(=O)[O-])[n+]1ccc(Cc2ccccc2)cc1.O=C(O)/C=C(/C(=O)[O-])[n+]1ccc(Cc2ccccc2)cc1"]
["192052729","O=C([O-])c1c(I)cc(I)c(I)c1I.[Na+]"]
["3931999","O=S(=O)(N=C([O-])C[C@H]1Sc2ccccc2N=C1O)N1CCCCC1"]
["21303345","Cc1cc(C[NH+]=C(O)N2CCN(Cc3cc(C)on3)CC2)no1"]
["17476615","O=C([O-])[C@H]1CC(=O)N(CCN2CCCOC2=O)C1"]
["3946198","Cc1[nH]c2c(c1C(=O)[O-])C(=O)CC2"]
["188528460","O=C([O-])c1c(F)ccc2c1O[B-](O)(O)[C@@H]1C[C@H]21.[Na+].[Na+]"]
["197646538","C#CCCNc1cc(C)cc(C(=O)O)n1"]
["60118890","[B+]=[O+]C(C(=C=[N-])n1nc(C)c(C)c1C)=C1[N-]C(C)=NC(C)=C1C"]
["89122668","Cc1nn(C(=O)CN)c(C)c1N"]
["97736111","CC1=N/C(=C(/c2cc(I)c(O)c(I)c2)c2c(C)c(I)c(C)n2B(F)F)C(C)=C1I"]
["MCULE-3078237380","Cc1nn2c(O)cc(C3CCCC3)nc2c1C"]
["MCULE-9267689029","COCc1ccc(C(=O)NC2CCN(C(=O)CCn3nc(C)c(C)c3C)CC2)cc1"]
["MCULE-1980002857","Cc1nn(CCC(O)=NCC2CCN(Cc3cccnc3)CC2)c(C)c1C"]
["MCULE-1879749601","Cc1nn(-c2cc(C(C)(C)C)ccc2O)c(I)c1C"]
["187275244","Cc1nn2c(Cl)cc(C(C)O)nc2c1I"]
["86798192","Cc1nn(-c2c(F)cc(C(=N)S)cc2F)c(C)c1C"]
["64568484","Cc1nn(-c2ccc(Cl)cc2C(=O)O)c(C)c1C"]
["9886395","Cc1ccc(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)cc1"]
["MCULE-4966672945","Cc1nn(CCC(=O)N2CC3CC(C2)CN(C(=O)c2ccc(F)cc2)C3)c(C)c1C"]
["195652113","COC(C)N(C)[C@H]([C-]([O-])N(C)O[I+]1(C)CCC1)C(C)C"]
["111221896","COC(C)CN(CCCBr)C1CCC1"]
["162254689","CON(C)C(=O)C1(C(=O)O)CCC1"]
["125296776","COC1(CNC(C)c2cccc(OCCN(C)C)c2)CCC1"]
["150704317","COC(OC)N(C)I"]
["93828241","COC(C)C(C)NCC1CCCC1O"]
["112275612","COCC(C)N(C)C[C@@H]1CCCN1"]
["124507014","COCC(C)N(C)C(=O)C1(c2ccccc2)CCCC1"]
["167034606","COC1(C(O)=NC(C)C(=O)N(C)C)CCC1"]
["144952239","COc1cc(C(C)C)c(Cl)cc1C1(N)CCC1"]
["113097884","COC(=O)C(COCCC1CCC1)NC1CC1"]
["93942237","CCCNCC(C(C)C)N(C)C(CC)CSC"]
["174018876","[B]C([C-]1[CH-][CH-][N-][C-](C2=c3oc4[n-][c-](C([B+])([B+])[B+])[cH-][cH-]c4c3=C(C([B+])([B+])[B+])[CH-][CH-]2)[CH-]1)(C([B+])([B+])[B+])C([B+])([B+])[B+]"]
["173689695","[B]C([B+])(N=C(O)c1[cH-][cH-][c-]2[n-]n(CC3CCN([C-]([O-])OC(C)(C)C)CC3)cc-2c1C)C([B+])([B+])OC([B+])([B+])[B+]"]
["176485483","[B]C([B+])([C-]1[CH-][CH-][CH-][C-](CN2CCCC2)[CH-]1)N1CC(O)=Nc2c(N)[n-][c-](OC([B+])([B+])C([B+])([B+])C([B+])([B+])C([B+])([B+])[B+])[n-][c-]21"]
["173694031","[B]C(C([B+])([B+])[B+])(C([B+])([B+])[B+])S(=O)(O)=c1[cH-][cH-][c-](Br)[cH-][cH-]1"]
["173681352","[B+]C([B+])([B+])O[C-]1[CH-][CH-][N-][C-]2[CH-]CC(N3C(=O)N=C4N[CH-]CC(OC([B+])([B+])C([B+])([B+])[B+])=C43)=C=C21"]
["176387889","[B]C([B+])([B+])N=C(O)c1coc2cc(OC3=[C-]C[N-]c4cc(OC)c(C(=N)O)cc43)c(Cl)cc12"]
["176485480","[B]C([B+])(C([B+])([B+])[B+])C([B+])([B+])C([B+])([B+])O[c-]1[n-]c(N)c2[c-]([n-]1)N(Cc1c[cH-][c-](CN3CCCC3)[cH-][cH-]1)CC(O)=N2"]
["173729300","[B]C([B+])([B+])C(O[C-]([O-])N1CCC2(CC1)CC2CN=C(O)N1C[C-]2[CH-][CH-][N-][CH-][C-]2C1)(C([B+])([B+])[B+])C([B+])([B+])[B+]"]
["173709716","[B]C([B+])(OC([B+])([B+])C([B+])([B+])[B+])C1[N-]c2c([c-]3[cH-][cH-][cH-]cc3[nH]c2=N)N1CC(C)(C)[O-]"]
["189860294","[B]C([B+])([B+])C1=[C-]C2C3=C(O)[CH-][C-](CC[C-]4[CH-][CH-]CC[CH-]4)[C-]=C3OC(C([B+])([B+])[B+])(C([B+])([B+])[B+])C2CC1"]
["174118017","[B+]C([B+])([O-])C([B+])([B+])[c-]1[n-]c2c[cH-][cH-]cc-2n1C1=C2C=C[CH-][CH-][C-]2C(=c2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c(=C3[CH-][CH-]C[CH-][CH-]3)c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c23)C=C1"]
["174119571","[B+]/C([C-]=[CH-])=C(\\[B+])c1c(C=C2C3=CCCC=C3C(n3c4c[cH-][cH-]cc-4[n-][c-]3C([B+])([O-])C([B+])([B+])[B+])=C3C=C[CH-][CH-][C-]23)c(=[B+])c(=[B+])c(=[B+])c1=[B+]"]
["180603690","OC[C@H](CNC1CC(O)(CO)C(O)CC1O)NC1CC(O)(CO)C(O)C(O)C1O"]
["180691777","O=C(O)C(COC1C[C@@H](O)[C@H](O)C2(C[C@H]2O)O1)C(O)O"]
["154028254","CC(C)(C)NC[C@@H](O)COc1ccc(I)c2c1C[C@H](O)[C@H](O)C2"]
["25203130","Cc1cccc(C)c1NCC(CO)Nc1c(C)cccc1C"]
["46825290","O=C([O-])C1(O)CC(O)C(O)C(C(O)CO)O1"]
["92542416","CC1(C)C(O)CC1NCC(O)C1CC1"]
["119850654","CC1(C)CCCC1N[C@@H](CO)c1ccccc1"]
["47399135","CNC(CO)CCOc1c(C)cccc1C"]
["169730660","O=C(O)N[C@@H](Cc1ccc(F)cc1F)C(=O)N1CC2(CC(O)C2)C1"]
["180479784","CC1=C(C)C(=O)N(C2CC(O)(CO)C(O)C(O)C2O)C1=O"]
["49225945","OCC1CC2CC12CO"]
["112993482","CC1OCCC1(O)CNC1CCN2CCCCC12"]
["76840710","COC1C=Cc2n[nH]c(=C3N=c4ncnc(C)c4=N3)c2=C1"]
["CSSS06547952100","Cc1ncc(F)c(=NC(C)CC2CC2)[nH]1"]
["128215634","Cc1ccc(-c2cc(C(O)=NNC(O)=NCCCOCC3CC3)n[nH]2)cc1"]
["180818731","CC1=CCC(c2nc(C)c(COCC3CCCNC3)s2)C=C1"]
["180112239","C#CC1=CC2CN=C(Nc3ccc(S(N)(=O)=O)cc3)N=C2C(OC)=C1C"]
["147778374","COc1cc(F)cc(-c2ccnc3c2=N/C(=C2/NNc4ccc(C5CCNCC5)cc42)N=3)c1"]
["112752727","CCSC1CCCC1Nc1ncnc(OC)c1N"]
["194353216","Cc1cc(C2CC2)ncn1.Cc1ncnc(C2CC2)c1Br.Clc1cc(C2CC2)ncn1"]
["105036445","Cc1ccc(=N[C@H]2CCCC[C@H]2C)[nH]n1"]
["81103926","O=C1C(I)=CC(I)=CC1=c1nc2c([nH]1)=CC(Br)C=C2"]
["177937055","COc1ncnc(C)c1CO"]
["124501375","C#CCC(C)OC(=O)c1cc(C2CC2)[nH]n1"]
["173997895","C/C=C/C(=C\\C1=CCCC=C1[NH-])[O+]=C1CC(Cl)=CC=C(N(C)S(=O)(=O)C2=CC=C(Cl)CC2Cl)C=C1Cl"]
["196625882","CN(c1ccc(OCCCN2CCOC(c3cccc(Cl)c3)C2)cc1)S(C)(=O)=O"]
["175560180","O=[C-]c1cccc(NCC2CCN(C3=C\\C=C\\C=C(\\C=C\\C(=O)CC4CCCCC4)/C=C\\3)CC2)c1.[Mo]"]
["7843144","C/C=C\\[C@H](C(O)=NCS(=O)(=O)c1ccc(C)cc1)N(C)C(=O)c1ccccc1Cl"]
["170688217","C/C=C/C(=O)N1CCN(c2nc(=NCCC(=O)N(C)C)[nH]c3c(F)c([C@@H]4C=C(O)Cc5ccccc54)c(Cl)cc23)CC1"]
["MCULE-9935187228","Cc1ccc(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C"]
["104765650","C[C@@H](c1ccccc1Cl)N(C)C(=O)CCNC1CC1"]
["51758374","CN(C)S(=O)(=O)c1ccc(CN=C(O)CCCOc2cccc(Cl)c2Cl)s1"]
["49799665","CN(C)[C@@H](CN=C(O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1Cl"]
["57244085","CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(C)(=O)=O)O2"]
["136201875","COCCCN(C)S(=O)(=O)c1cc(Cl)c2c(c1)CC(C)O2"]
["166269462","Cc1cc(Cl)ccc1NCC(O)=NCc1ccccc1S(=O)(=O)N(C)C"]
["182017345","[N-]=[N+]=NC1(N2CCSC(N3CCSCC3)(N3CCSCC3)C2(N2CCOCC2)N2CCSCC2)SC(N2CCSCC2)=C(N2CCSCC2)N1N1CCSCC1"]
["8716616","OC(=NC[C@]1(N2CCOCC2)CCSC1)Nc1ccc(-n2nccn2)cc1"]
["181245061","COc1ccc(N2CCOCC2)c2nn(N=[N+]=[N-])cc12"]
["182150368","[N-]=[N+]=NN(C1=NC(=C=O)CS1)N1CCOCC1"]
["175483768","C1=NC=C2NNC(c3csc(N4CCOCC4)n3)N2C1.Cl.Cl"]
["182569546","[N-]=[N+]=NOc1ccnc(-c2ccnc(N3CCOCC3)c2)c1"]
["168941387","[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(O)nc2=O)[C@@]2(CCS2)[C@@H]1O"]
["182199534","[N-]=[N+]=Nc1cc2c(s1)=C(N1CCOCC1)N(Cl)CN=2"]
["116776992","CN=C(NCc1nc(C(C)C)cs1)NCC1(N2CCSCC2)CCCCC1"]
["188046007","CC1(C)CC(N=c2cc(I)cc(N3CCOCC3)[nH]2)C1"]
["178567904","O=C([O-])/C=C1/I=C(N2CCCC2)CC=C1C1(N2CCOCC2)CC1"]
["126469358","COc1ccc(Cn2ccc(=NC(=O)c3ccccc3N3CCOCC3)[nH]2)cc1"]
["198613633","CC(=N)/C(C)=C\\C(C)=C/[OH+]CCCCC[n+]1cc(C)cc(C)c1C.CO.N=C/C=C\\C1=C([OH+]CCCC[n+]2cccc3c2CCC3)CCC1"]
["17689694","Cc1cc(OCC(=N)O)ccc1NC(O)=N[C@@H]1CCCc2ccccc21"]
["198613653","CCCCC(/C=C\\C=N)=C/[OH+]CCCC[OH+]/C=C(\\C=C/C=N)CCCC"]
["173366735","CC(C=CCCCCCCCCc1ccc2ccccc2n1)=CC(=N)O.Cl"]
["126860863","CCc1cccc2c1N(C(=O)c1cccc(OCC(=N)O)c1)CCC2"]
["22749715","COC(=O)C=Cc1cc(S(=O)(=O)N2CCCc3cccc(C(C)=O)c32)ccc1OC"]
["194926798","COc1ccc(C=C[C@@]23N=C(O)CN2c2ccc(C)cc2C3(C)C)cc1"]
["4932587","COCCCOC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]
["MCULE-5463329901","CCCCC(C(O)=Nc1cc(N=C(C)O)ccc1C)N(CC(O)=Nc1cccc(C)c1)S(C)(=O)=O"]
["MCULE-4558553628","Cc1ccc(-n2c(SCc3ccc4c(c3)CCC4)nnc2-c2ccccc2)cc1"]
["178345083","C=CC(=O)OC1(CCCc2cccc3c2C(CC)(OC(=O)/C=C/C)CCC3)CCCc2ccccc21"]
["176069451","Cc1ccc(C2=C(c3ccc(CC4CN(CCCF)C4)cc3)c3ccccc3CCC2)c(C)c1"]
["195905704","NNC1CCC2C1CCC1C3CCC(=O)CC3CCC12"]
["98936046","O=C1CCCC(Br)O1"]
["180867933","C1CC2C3CCC4C1CC1C4CCC3C12"]
["151438428","C[C@]12C[C@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@H]43)[C@@H]1CCC2=O"]
["MCULE-2165540657","CCC(C)N=C(O)C=C1CCC(=O)CC1"]
["MCULE-6919471279","COc1ccc(-c2ccc(C)c(OC)c2)c(N=C(O)C2CCC(=O)C2)c1"]
["MCULE-1999610032","O=C1CCC(C(=O)OCCN=C(O)C(F)(F)F)C1"]
["109018245","CN1[C@@H]2CC(=O)C[C@@H]1[C@@H]1CC[C@@H]2C1"]
["4850661","CN=C(O)N[C@@H](c1ccccc1)C1CC1"]
["MCULE-7991603766","CCN(CC)CCCN=C(O)C1CC(=O)N(c2cc(OC)cc(OC)c2)C1"]
["158402539","NNC(O)=NC[C@@H]1CC[C@H]2C[C@H]2C1"]
["81949057","CC1=NC(C2CC2)=NC(=O)C1C(O)=NCCC(C)O"]
["195113568","CO/N=C(C)\\C(=N/OC(=O)N(C)SN(C)C(=O)O/N=C(/C)SC)C(=O)N(C)C"]
["79777715","C/C=N/OC(=O)N(C)SN1CCOCC1"]
["2089336","COCc1ccccc1CN=C(O)CN(C)C(C)=O"]
["79925374","C=C(O[Si](C)(C)C)/C(=N\\OC)C(=O)O[Si](C)(C)C"]
["58457001","CCO/N=C(C(\\C)=N\\OC)/c1ccc(Br)cc1"]
["173465077","CO/N=C(/C)N(C=O)C/C(F)=C\\CCCC(=O)OC"]
["162078531","CSC(SC)=C(C)C(N)=O"]
["78274449","C=C(C)CSc1nn(C(=O)OC)/c(=N/C(=O)N(C)C)s1"]
["87623838","COc1ccc(C)cc1C(=O)C(=O)N(C)C"]
["93162231","COc1cccc(N(C)C(C)CCSC)c1C(C)=O"]
["182849051","CCOC(=O)OCCOC(=O)ON=[N+]=[N-]"]
["94803708","COC(C)CCC(=O)N(C)CC(C)O"]
["175747009","OC1=NC(O)=C2N=C(O)N[Ge]2=N1"]
["78266829","CCCS[C]1N=C(O)C=CN1"]
["26737005","COc1cc2c(cc1OC)SNC(O)=N2"]
["89011784","Cc1ccc2c(c1)NC1(CCC(C(C)(C)C)CC1)C(O)=N2"]
["84031404","OC1=NCC(c2ccccn2)=NN1"]
["119260481","Nc1cnn(CC(O)=Nc2c[nH]c3ccccc23)n1"]
["95064307","O=C(O)C1CNCCN1c1ncnc(O)c1I"]
["61427691","NC(N)=C1N=NC(O)=N1"]
["163018234","Cc1cc([C@@H]2CN=C(O)N2)oc1C"]
["175168322","[Re].[c-]1nnn[nH]1"]
["112330118","N=c1cc(-c2cccc(O)c2)o[nH]1"]
["176519404","[Rf].[c-]1nnn[nH]1"]
["147826274","C[Si]12C[Si]3(C)C4C1C=CC1N4[Si]3(C)C[Si]12C"]
["171109473","CN1C=CN(C)P1N1CCCC1"]
["65446924","CC1=CN(N(C)C)C(C#N)CC1"]
["162687972","CO[C@@H]1C=C[C@@H](Cl)CC1"]
["86730488","Cc1ccc(N2CCOC(CO)C2)nn1"]
["47884021","CCC1C=CC(Cl)CC1"]
["48269485","COc1ccc(C(=O)N2CC3CNCC3C2)cc1OC"]
["106727646","CNc1cccc(C2CCN(c3ccc(C)nn3)CC2)n1"]
["171569061","CCN1[Si](C)(C)C[Si]1(C)C"]
["156507200","Cc1ccc(N2CC[C@H](CCl)C2)nn1"]
["144638287","Cc1ccc(N2Cc3cnn(C)c3C(COCC3CC3)C2)nn1"]
["171933501","C[Si]1(C)CCCN1c1ncccn1"]
["178419080","C[Cl+]CC1=C(C)[CH-][CH-]C(C)=C1C"]
["164149591","CCCC1CC(=O)C=C(O)C1C(=O)OCC"]
["58229117","COc1c(C)c(C)c(OC)c(CC/C(C)=C/CO)c1C"]
["111572910","Cc1cc(Cl)c(C(Br)CCOCC(F)(F)F)cc1C"]
["63288033","CC1=[Si]=C(C)C(C)=C1C"]
["78197635","CCN(CC)c1ccc([N+]#N)cc1C.[Zn]"]
["60587844","CC1=C(C)C(C)(C)C(N(C(C)(C)C)C(C)(C)C)=C1C"]
["184201954","CCC=C1[CH-]C=CC=C1C.[Tc]"]
["195959663","C[Cl+]Cc1cc(NNC2=[C-]CC(C)C=[C-]2)c(C)cc1N"]
["172736211","CC1=C(C)C(=C(O)O)C=C1"]
["178701192","C[Cl+]CC1=[C-]C(N(C)C)C[C-]=C1C(=N)S"]
["57828309","CC1=C(C)C(C)(C)C(CO)=C1C"]
["119236164","ClC1=C(Cl)[C@@]2(Cl)[C@@](Cl)(C1(Cl)Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl"]
["147693486","O=C([O-])C1C(C(=O)[O-])C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl.[Pb+2]"]
["170986526","ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)=C1c1ccccc1"]
["84132527","C=CCC1(Cl)C(=O)C(Cl)=C(OC)C1(OC)OC"]
["185085107","OCC1=C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(F)F"]
["172228124","O=C1OCC2=C1C(Cl)=C(Cl)C(Cl)(Cl)C2(Cl)Cl"]
["97567260","ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C=C1"]
["161743768","CC1(CCl)C2(C)C(Cl)=C(Cl)C1(Cl)C(Cl)(Cl)C2(Cl)Cl"]
["64940909","CC(O)C1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"]
["54218303","ClC1=C(Cl)C(Cl)(I)C(Cl)(I)C=C1"]
["109410837","ClC1=C(Cl)[C@]2(Cl)C=C(c3ccccc3)[C@]1(Cl)C2(Cl)Cl"]
["101098758","O=C1C=CC2(C=C1)C=C(Cl)CCC2"]
["56071128","CC(C)(C)C1=N[N+](=C2[N-]C=CC(=[Si-](C)(C)c3ccnc(-n4c#[n+]c(C(C)(C)C)n4)n3)[N-]2)[C-]=N1.[Pt+2]"]
["MCULE-7406797711","CCOP(=O)(OCC)c1c(C)nn(-c2cc(C(C)(C)C)ccn2)c1Cl"]
["62665036","CC1=C=C(C2=N[N-]C3=CC(C(C)(C)C)=C(C)[N-]N32)C(=[F+])C=C1.[Y]"]
["75538698","Cc1ncc2nc(C(C)(C)C)[nH]c2n1"]
["MCULE-1697079028","CCCc1nn(-c2ccnc(C(C)(C)C)c2)cc1CN"]
["120848809","CC(C)(N)c1nccc(-c2ccc(Cl)s2)n1"]
["66676493","CC(C)(C)C1=NC2=[C-]C(n3ccc(C(C)(C)c4ccn(-c5[c-]ccc6nc(C(C)(C)C)oc56)n4)n3)=C=CC2O1.[Pt+2]"]
["97998767","CC(OC(=O)OCC(C)(C)C(=O)O)n1nc(C#N)c(-c2cc(Cl)cc(-c3nccc(C(F)(F)F)n3)c2)n1"]
["135881035","CC(C)(C)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2ncccn2)n1"]
["MCULE-8212271518","Cc1ccnc(N=C(O)C2CCCN2C(=O)OC(C)(C)C)c1-c1cccc2cccnc12"]
["MCULE-2517668380","CC(C)(C)c1nn(-c2c(F)ccnc2F)c(C(F)F)c1N"]
["150433288","CC(C)(C)OC(O)=NC(=NC1CCN(c2nccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1)N=C(O)OC(C)(C)C"]
["25320855","C[N+](C)=C=C1CC2=C3CC(=[N+](C)C)C3=C1C2(Cl)Cl"]
["120247677","CC1SCCC1Nc1cc2c(cc1Cl)NC(=O)C2"]
["61381049","CC(C)C1CC(Nc2cc3c(cc2Cl)NC(=O)C3)CCO1"]
["162716525","Cc1nc(C2(C)CCCS2)nc(Cl)c1F"]
["67611378","CC(C)C1CC2(CCC(=O)O2)CN1C(C)C"]
["43240840","CC1(NS(=O)(=O)c2cc(N)cc(Br)c2F)CCCC1"]
["61409598","CCC(N)c1cc2c(cc1Cl)NC(=O)C2"]
["108371086","C=CCN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)Cc1ccc(C)cc1)C2"]
["167241587","C[C@]12CCCCC1C(=O)C2(Cl)Cl"]
["75761725","CC(C)C1=NNC/C1=C1\\C=C(Sc2ccc(N)cc2)c2ccccc2N1"]
["53202414","COC(=O)C1(C)CC=C(CCCC(C)OC)CC1"]
["154590043","Cc1nc(C)c(CN2CCC[C@@]3(C2)CN(C)C3=O)s1"]
["184575907","[C-]1=C2NCCC3(CCN[I+]C3)C2=[C-]CC1"]
["162368632","CC1(C)CCNc2c(Cl)ccc(I)c21"]
["107128464","O=C1CC[S@](=O)C[C@]12CCNC2"]
["48537105","OC1(c2cccc(Cl)c2Cl)CCNC1"]
["184146784","Cc1cc(Br)c2c(c1)C1(CCNC1)CC2"]
["175780081","[NH-]C1(CNC(=O)[C-]2CCC(F)=C=C2F)CCN[I+]C1"]
["120577856","COC(=O)C1(c2ccc(O)cc2)CCCCN1"]
["49103510","CCC1(C#N)CCNC1=N"]
["156300427","Cc1ccc2c(c1F)NCCC2(C)C"]
["120519714","CC1(c2ccc(Cl)cc2)NCCCC1(F)F"]
["108060231","CN1C(=O)CS[C@@]12CCCNC2"]
["57393961","C1CNC(C23CCN(CC2)CC3)=N1"]
["100281379","CC(C)N=CC(SNN(C)C(=S)C1CC1)C(O)=NN(C)C(=S)C1CC1"]
["158091910","C[C@@H](O)C(O)=N[C@H]1C[C@H]2CC[C@H]1C2"]
["140177993","CC(NC(O)=NCCC1CC1)C(=O)N(C)C"]
["112206787","CCN=C(O)C(C)NC1CCCN(C(=O)OC(C)(C)C)CC1"]
["146363092","CC(CN=C(O)[C@@H]1CCCCN1)N(C)C1CC1.Cl.Cl"]
["51500245","CC(NC1CCC(C)C1C)C(O)=NC(=N)O"]
["16451134","CC(C)N=C(O)[C@@H]1CC(=O)N(C(C)C)C1"]
["105215260","C[C@H](Sc1ccccc1)C(O)=NCC1CC1"]
["8727027","CC(C)C(O)=N[C@H](N1CCOCC1)C(Cl)(Cl)Cl"]
["159601986","COC(=O)c1ccc(NC(O)=NC2CCN(C(=O)/C=C/c3cccc(OC(C)C)c3)CC2)cc1"]
["84772594","O=C(O)CN(CC(F)(F)F)C(=O)C1CC=CC1"]
["11588536","CC(C)CN=C(O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)C2CC2)CC1"]
["63202050","[CH+]=[N+]([CH-])CC[NH+](CC[NH+](CC(=O)O)CC(=[OH+])[OH2+])C(C[CH-])P(=O)([O-])[O-]"]
["171878189","C=CCP(=O)(CC=C)C(CCC(O)=NCC(=O)O)P(=O)(CC=C)CC=C"]
["53343913","CCC(C)(C(=O)O)C(C(C)CC(=O)O)P(=O)(O)O"]
["27149470","CCC(CC(=O)O)[N+](=O)[O-]"]
["176726166","CCCC(CCC)C(O)=[OH+].C[N+](C)(C)C[C@H](O)CC(=O)[O-]"]
["54229640","C[P+](=O)C(CC(O)=NCC(=O)O)P(=O)(O)O"]
["9500230","O=C([O-])C[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]"]
["175435101","C[N+](C)(C)C[C@@H](CC(=O)O)O[SeH].[Zn]"]
["177102751","CCOC(OCC)/C(C)=C(\\C(=O)O)P(=O)(O)O"]
["43715691","CC(CC(=O)O)N=C(O)N1CC(C(=N)O)CCC1C"]
["173940208","O=CC(CC(=O)O)CC1COC1"]
["184936440","O=C(O)C[C@H](O)C[n+]1ccc2ccccc2n1"]
["178557367","CN[C-]=CC1=C(C=C=IC)CCN1"]
["175314492","C=C(C)/C=C1/NCCOC1=C"]
["191067489","CNC(=N)NCCCCCC1=NCCN1"]
["161816614","OC1=C(O)NCC1"]
["178987630","CI=C[C-]1CCCC1"]
["167397107","C[O+]=[C-]C#CC1=C(C)CCCC1.[Cr]"]
["167570540","C=C1CCCN/C1=C/C/C=C\\C"]
["188174581","C=C1CCC(NC)(C(=O)O)CN1"]
["173471639","C/C=C\\C=C1\\NCCC\\C1=C\\C"]
["163492524","C=C/C=C\\C1=C(C=C)NCCO1"]
["53550602","CC(C)C(=O)Nc1ccc2c(c1)CCN2"]
["174139875","CN/C=C1/CCCCN1"]
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["MCULE-7678680070","CC(C)(C)c1cc(O)n2nc(C3CCCC3)c(C3CC3)c2n1"]
["197736370","[C-]#[N+]C(C)(C)c1cc[c-]2[s+]c3c(C4=C=C(C)CC(C)=C4C)[n+](C)cnc3c2c1"]
["MCULE-9894967274","Cc1cccc(N=C(O)CSc2nnc(C(F)(F)F)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1"]
["139249629","Cc1c(-c2cc(CN(C)CCC#N)on2)cnn1C"]
["118344825","CN=C(NCCC(O)=Nc1ccc(C)cn1)NCc1ncc(C(C)(C)C)o1"]
["88984435","[C-]#[N+]Cc1cnc(C)nc1O"]
["MCULE-9499143031","Cc1ccc(Cn2nc(C3CCCCC3)cc2C(=O)OC(C)(C)C)cc1C"]
["59450422","CCCN(CCC)P(=O)(NCNP(=O)(OCC1=CC=C([N+](=O)[O-])C1)N(CCC)CCC)OCC1=CC=C(C)C1"]
["165265732","C=C(Nc1cc(C)c(-c2ccc3c(c2)CCCC3C)c(/C(=C/C(C)(C)C)CCC#N)c1)c1ccccc1"]
["65882444","[C-]#[N+]CC1=Cc2cccc(C)c2C1"]
["198513414","[C-]#[N+]c1ccc(-c2cc(C3CC3)nc(N3Cc4ccc(COCCN(C)C(=O)OC(C)(C)C)cc4C3=O)c2)c(-c2nncn2C)c1"]
["184564447","NC1=[C-]C2=IN3C4=IC4=C(C1)[C-]23"]
["108621570","CC(C)(C)[C@H]1Cc2cc(N)cc(Br)c2C1"]
["173047633","[B+]=C1[C-]=C(N)CC(C)=N1"]
["176179795","[B+]=C1[C-]=C(C(F)(F)F)CN(C2=[C-]C(=[B+])[C-](O)C(=[B+])C2)C1=O"]
["97049633","CN(C)CC1=C=C(CN(C)C)CC(N)=[C-]1"]
["173936222","[B+]=C1[C-]=C(C(C)(C)[C-]2CCC(N)=[C-]C2=[B+])C(=[B+])[C-](C(C)(C)C)C1=[B+]"]
["59105398","CN(C)CC1CCCN1S(=O)(=O)c1cc(N)cc(F)c1"]
["173925685","[B+]=C1[C-]=C(N)C2=C([N-]1)C(=[B+])[C-](C)C(=[B+])C2"]
["52631978","CN1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1"]
["56158930","CSc1nc(N(C)C)nc(N2C[C@H](CCl)OC2=N)n1"]
["176179619","[B+]=C1[C-]=C(C)CN(C2=[C-]C(=[B+])[C-](O)C(=[B+])C2)C1=O"]
["94578523","CC1(C)CC(n2ncc(Cl)c2N)CC(C)(C)C1"]
["184733932","C1#CC23C=CC=CC2(S3)C23C=CC=CC2(CC1)S3"]
["184348543","C/C=C/C1(C)C#CCC1"]
["109025015","Cc1ccc(S(=O)(=O)NN2C[C@@]34C=CC=C[C@]3(CCCC4)C2)cc1"]
["97530551","C1=CC23CC[C@]2(C=C1)[C@@H]1CCC3N=N1"]
["75186733","C1=CC23C[C@]2(C=C1)SC=N3"]
["170213144","O=C(I)CC1CCCCC#CC1(F)F"]
["96748818","C[C@]12C=CC=C[C@]1(C)CCCC2"]
["177610791","NC[C@]12CCC#CCC[N@]1C2"]
["30610484","c1ccc2c(c1)nnn2-c1ccc(C23CCCN(CCC2)C3)cn1"]
["185117677","OC1(O)C#CCC1"]
["180280130","C[C@@H]1CCC[C@]2(C)CCCCC=C[C@@]12C"]
["92555912","CCC1CN(C2(CN)CCN(C3CC3)C2)CCS1"]
["74529169","C=[PH]1C2CC3CC(C2)[PH](C)(C)N1[PH]3=C"]
["172247105","CCOCC1CC(F)CN1CC"]
["95515345","CCC1CCC(C(NC)C2CC3CCC(C2)N3C)CC1"]
["155047216","C=C[C@]12CN(C)[C@@H]3[C@@H]4CO[C@@H](C[C@H]41)[C@]1(C(O)=Nc4ccccc41)[C@@H]32"]
["185915990","CSC1C[C@@H](C(C)C)N(C)C1"]
["178997324","C[C@H]1C2CC(C2)N1C"]
["44180609","CCCC1CC(C)CC(C(C)C)N1C(C)C"]
["167430068","C=CC(=C)CB([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C"]
["156743332","C[C@@H]1C[C@@H](C)N(C[C@](C)(N)C#N)C1"]
["107525659","C[C@@H]1C[C@](C)(N)CCN1C"]
["179955555","C=I1(C)C=C2CCCCC2=C1"]
["184408827","C=C(OC)C1C(/C=C(/C)Cl)C1(C)C"]
["96913709","CCC1=C2[C@@H](CC)[C@H](C)[C@@H](c3c(CC)c4n5c3CC[C@H]5CCC4)[C@@]23CC[C@H]2CCC=C1N23"]
["85411151","CCc1ccc(NC2CCOC3(CCSCC3)C2)cc1"]
["110615079","CCN1CC(=O)N([C@H]2c3cccc(F)c3CC[C@@H]2C)C1=O"]
["52607119","CCCNc1ncccc1S(=O)(=O)N1CCCCC1C"]
["29982144","CCN(Cc1ccc(OCCN2CCCCC2)c(F)c1)c1cccc(C)c1C1CCc2cc(O)ccc2C1"]
["113457048","CCOCCCn1ccnc1NCC1CCCCC1C"]
["195300682","CCc1ccccc1N=C(O)CCCC1CCCC(NC(O)C2=C(Br)C=CCC2)CC1"]
["68101134","CCCCCC1CCC1(c1cccs1)c1cccs1"]
["108297347","COCc1cnc2n1CCN(C1CCC1)[C@@H]2C"]
["107003302","Cc1nc2c(n1C1CCCCC1)CCC[C@H]2CCN"]
["104790774","C[C@@H]1CCCCN1S(=O)(=O)NCc1nc[nH]n1"]
["103503165","CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCN(C2CCCCC2)CC1)C3"]
["96537893","C#CB1[N][B-](C#C)=NB([C+]=[CH+])[N-]1"]
["175786848","C#CCCc1nn[nH]c1S.CC"]
["91564738","C#CB1NB(C#C)NB(C#C)N1"]
["180253570","C#CCC([NH3+])c1nn[nH]c1S"]
["172152500","C#Cc1cn2c3nccnc3[n-][n+]2c1"]
["161971721","C#CCCc1nn[nH]c1S"]
["168899055","C#Cc1nc(Br)no1"]
["198674603","Clc1c(Br)ccc2c1C=NC2.FCn1cc2c(Cl)c(Br)ccc2n1.FCn1nc2ccc(Br)c(Cl)c2c1Cl"]
["76017015","C=C(c1c(OC)ccc(Br)c1OC)N(C)C1CCCN1C"]
["176467605","OC1=NC[C@H](c2cc(Cl)ccc2Br)OC1"]
["172895060","CNCCC1CCC(CN2C(O)=NCc3cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc4c32)CC1"]
["150245896","NC(=O)c1nn(CC(=O)N2CC(F)CC2C(O)=Nc2cccc(Br)n2)c2ccc(N=C=O)cc12"]
["MCULE-1721998858","CNCc1cn(Cc2cccc(Br)c2O)nc1O"]
["193780682","C[C@H]1COCCN1C(=O)c1[nH]c2[nH]cnc(=Nc3ccc4c(c3)C=NC4)c2c1Br.O=C(O)c1[nH]c2[nH]cnc(=Nc3ccc4c(c3)C=NC4)c2c1Br"]
["MCULE-7313466768","Cc1cnc(-n2nc(C3CC3)c(CN)c2Cl)cc1Br"]
["196583207","NC[C@]1(c2ccccc2F)[C@@H]2CCN(c3cnc4c(-c5ccc6[nH]ccc6c5Cl)n[nH]c4n3)C[C@@H]21"]
["136161703","CC(C)c1nn(C)c(Cl)c1CN1CCn2cccc2C1C"]
["155809885","Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cn1"]
["MCULE-8698756535","FC(F)c1nn(CC2CCC2)c(Br)c1Cl"]
["178663328","CC1=CC2C3C=C(C)[SH+]C3C(SC3C(C)C(C)C(C)C3C)C2S1"]
["160773621","Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)sc1C"]
["98607104","CC1=CC2C(C)C2C1"]
["175688467","CC1=C[C@@H]2[C@H](O)[C@@H](C)[C@H](O)[C@H]2[C@@H]2[C@H]3C4=C5O[C@](C)(CCC(OC4=O)[C@@H]5C)[C@H]3C[C@H]12"]
["84091483","CC1=C(C)SC(C)C(=O)C1"]
["179447926","CC1=CC2CCOCC2S1"]
["176016469","CC.[B+]=C(C)SC(=[CH-])C1C=[C-]C(=[B+])S1"]
["CNP0324752.5","CC1=C[C@H]2[C@@H](O)[C@H](C)[C@@H](O)[C@H]2[C@H]2C1C[C@H]1[C@@H]2C2=C3O[C@]1(C)CCC(OC2=O)C3C"]
["69607203","CC1=CC2C(S1)C1SC(C)=CC1C2C(C)(C)C1CCC(C(C)C)C1"]
["173072354","CC1=CNC(C)S1.I"]
["162512523","Cc1nc(C2CN=C(O)[C@H](C)N2)cs1"]
["81573022","CCN1C(=O)CC2(CCN(C(=O)OC3C(O)C(O)C(C)C(O)C3O)CC2)C1=O"]
["170660034","C[C+]1CC(=C[C-]=C2[C-]=CCC(=CC=C3C[C+](C)C3)C2)C1"]
["174026330","[B+]=C1CC=[C-]C(C)C1Cl"]
["47071772","CCOc1cc(OCC)cc(OC(=O)CCO)c1"]
["174149130","O=C[B]NC1=C(Cl)CC=C1CF"]
["98583248","[CH-]=C1[C-]=CCC(=CC)C1"]
["175060318","CCCC(=O)/C(C=NCCO)=C(\\O)c1cc(Cl)cnc1Cl"]
["197654791","C#CC(C)c1cc(Cl)ncc1Br"]
["44927570","CCC.C[C+]1C=C=C(N([O-])[O-])[C-]=C1.[U+2]"]
["180033777","C[CH-]C.[B+]=C1CC=[C-]C(=[CH-])C1.[U+2]"]
["91590653","C#CCNC1CCc2c(Cl)cccc21"]
["83081061","CCCC1CN(c2nc(C)cnc2C)CC1N(C)C"]
["160327809","Cc1cnc(N=C(O)C2CCCOCC2)c(Br)c1"]
["184145792","O[B-]1=c2ccccc2=IO1"]
["158078244","[OH2+]P(=S)=S.c1ccc(-c2ccccc2)cc1"]
["197059396","C=C1OC[C@H]1c1ccccc1"]
["53497184","CCOC(=O)C(=O)C(C/C(=N/O)c1ccccc1)C(C)=O"]
["168397191","[O-]/[N+](=N/O)c1ccccc1.[Pd]"]
["49260471","c1ccc2c(c1)CC(CNCC1CC1)O2"]
["175486555","COP([O-])(CC#N)=c1ccccc(C)c1.[Lr]"]
["173439675","CC(Oc1[c]cccc1)C(=O)O.[Sn]"]
["75668652","ON=C1C2=CC2(C(O)=Nc2ccccc2)Oc2ccccc21"]
["50314039","NS(=O)(=O)c1c(C(=O)O)sc2ccccc12"]
["183684735","Oc1ccccc1OP(OS)OS"]
["78601513","CCc1c2cccccc-2c(/C=[N+](\\O)C(C)(C)C)c1[Si](C)(C)C(C)(C)C"]
["178134100","C=[C-]C1C[N-]C2=C(C(NC[I+]C)C=I(I)=CCC2)C1C"]
["50199928","CCc1ncc(CNCC2CCCN2CC)s1"]
["175631639","CCC1=C/CC/C(C)=C(C)\\N=C\\1"]
["88727910","CCC1CCC(C)N1c1ncc(CNC2CC2)s1"]
["75247245","C=CC=C1C(=O)CCC(C)C1c1ccc(N=[N+]=[N-])cc1"]
["51839038","CCN1CCCC1CNCc1ccc(Br)c(C)c1"]
["172986284","CC(C)(CO)CO/N=C/c1cc(C(O)=NOCCO)c(NC2=CC=C(I)CC2F)c(F)c1F"]
["92391058","Cc1ccoc1CNC1CCS(=O)CC1"]
["87770177","CC1CNc2cc(C(=O)CNC(C)(C)C)ccc2O1"]
["115184108","CC1CCCC(Sc2ccc(CNC3CC3)cc2C#N)C1"]
["96276072","Cc1ccoc1CNCCOCC1CC1"]
["174562727","C=C(OC)C1=C(C)CCC=CC1"]
["180497505","CN(C)c1cc(CNCc2cc(F)c(F)c(F)c2)c(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(=[NH2+])O)=C(O)C3(O)C(=O)C1=C2O"]
["61933749","CCCN=C(O)c1c(C2CCCN2)cc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(=N)O)=C(O)[C@@]3(O)C(=O)C1=C2O"]
["132674563","CN1CCC(N(C)c2ccccc2CNCc2cccc(F)c2)CC1"]
["57571205","COC(C)NCC(O)=Nc1ccc2c(c1O)C(O)=C1C(=O)C3(O)C(=O)CC(O)CC3C(C(=N)O)C1C2.Cl.Cl"]
["146142605","CC(CN)N(C)C(=O)c1cc(F)c(F)c(F)c1.Cl"]
["99100674","Cc1ccccc1CNCc1cc(N(C)C)c2c(c1O)C(=O)C1C(=O)[C@]3(O)C(=O)C(C(=N)O)C(=O)[C@@H](C(C)C)[C@@H]3C[C@@H]1C2"]
["74791364","CN(C)[C@@H]1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(c([N+](=O)[O-])c5ccc(CN6CCC6)cc5c4O)C[C@H]3C[C@@H]12"]
["85404387","CNCc1cc(F)c(OC(C)C(=O)O)c(F)c1"]
["81641098","CN(C)C1C(=O)C(C(=N)O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)c(C(C)(C)C)cc(CCC(=O)c5cccnc5)c4CC3CC12"]
["81480307","CC(O)=NCC1CN(c2cc(F)c(-c3ccc(C4(C#N)C5CN(C)CC54)nc3)c(F)c2F)C(=O)O1"]
["195668481","COC1OC(c2cc(C)c(O)c(CNCC(=O)O)c2)(c2cc(C)c(O)c(CNCC(=O)O)c2)c2ccccc21"]
["42326241","CN(C)[C@H]1C(=O)C(C(=N)O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(ccc(CN5CCCCC5)c4O)C[C@H]3C[C@@H]12"]
["49506085","O=C1C=Nc2c3nc(=O)c(=O)c-3cc(=O)c21"]
["168544451","CCc1cccc2c1N=CC2=Cc1sc(O)nc1O"]
["34422928","COC1=CC(=O)c2nc(C)ccc2C1=O"]
["155211631","O=C1c2ccccc2-c2cc(-c3cc(O)cc(O)c3)nc3ccc(O)c1c23"]
["48667912","Cc1cc2c(c(S(C)=O)c1C)C(=O)c1[nH]nnc1C2=O"]
["162301563","Cc1cc2c(c(C)n1)N=CC(Cl)C2=O"]
["73836339","[N-]=[N+]=Nc1cc2c(nc1N=[N+]=[N-])C(=O)C(=O)C=C2S(=O)(=O)O"]
["47246140","O=C1C=NN=C1c1ccccc1"]
["171482453","CSc1sc2cc(C)cc(-c3cccc(-c4ccc(Cl)nc4Cl)c3)c2c1S(=O)(=O)c1c(SC)sc2cc(C)cc(-c3cccc(-c4ccc(Cl)nc4Cl)c3)c12"]
["81151655","O=C1N=CN=C2C=CC(Cl)C=C12"]
["101815997","O=C(O)c1cc(O)nc(O)n1.O=P(O)(O)OP(=O)(O)O"]
["137136861","Cc1nc(CS(=O)Cc2ccccc2C)cs1"]
["68717059","NN(N)C(N)(N)C1(N)CCN1C1(C2(N3CCC34CCC43CCN3C3(C4(N)CC4)CC3)CC2)CC1"]
["90192635","NC1(CN2CCCCO2)CC1"]
["84621106","Cc1ccc(C)n1N=C(O)C1(N)CC1"]
["88522666","NC1(C(O)=NN2CCOCC2)CCOCC1"]
["179850106","CC1(C)N2CCC21C"]
["120448117","CC(C)(C)OC(=O)N1CCC(CN)(Cc2cccc(Cl)c2F)CC1"]
["195537262","NONC1(N)CC(N)(N(N)[O-])C1"]
["65506168","NCC1(N2CCN(CC(F)(F)F)CC2)CCSC1"]
["88178626","NC1(C(O)=NCc2ccccc2O)CC1"]
["107506006","NC1(C2(C(=O)N3C[C@H]4C[C@H]4C3)CC2)CC1"]
["99651153","N[C@@]1(Cl)CCN(Cl)C1"]
["107742705","NC1(c2ncc3n2CCOC3)CCC1"]
["100203443","CN=P(C)(C)NP(S)(=[N+]=c1cc1CS)NP"]
["173616401","CC(=O)Oc1cc(CS)c(CS)cc1OC(C)=O"]
["181095132","CCc1c(N=[N+]=[N-])cc(CC[Si](C)(C)C)c(N)c1[Si](C)(C)C"]
["144740862","CCn1cc(CS)c2cc(C(=O)O)ccc21"]
["24125261","CC(CO)(CO)NC=C1C(=O)N(Cc2ccccc2)C(=O)N=C1O"]
["88895479","CN=C(S)c1cc(Cl)ccc1F"]
["85691813","CC1(C)CCN(Cc2ccc(F)cc2C(=N)S)C1"]
["26483554","SCc1cc(Cl)c(Cl)cc1Cl"]
["62739970","CCc1cc(S)cc(CC)c1O"]
["27107388","COc1cc(S(=O)(=O)O)c(N)cc1CS"]
["116437087","CCN=C(NCC1(C2CC2)CC1)N1CCN(Cc2ccon2)CC1"]
["78783703","CC(=O)OCCc1cc(C)sc1-c1cnc(-c2sc(C)cc2CCOC(C)=O)cn1"]
["195518631","C=I1=CC2=C(C=C1C1=CI3(=C)C=C(C)N=C3N=C1)SC(N(C)C1CC(C)(C)CC3CC3C(C)(C)C1)=I2"]
["102782363","CC1(C)c2sc(O)nc2S[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21"]
["160896818","CN(C(=O)C1=CCC1)C1CC(C)(C)C1"]
["158170171","Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)c2csnc2C)o1"]
["160917048","CCN(C(O)=NC(C)c1nnc(C)s1)C1CC(C)(C)C1"]
["57386766","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)C2(C)CC(C)=C(O2)[C@@H](C)[C@@H](O)[C@]1(C)O"]
["77732356","Cc1cn2cc(C[NH+]=C(O)C3C=CC(CN4CC5(C)CC4CC(C)(C)C5)=NC3=O)nc2s1"]
["48677936","C=C1/C=C(\\C)[C@](C)(O[Si](CC)(CC)CC)C[C@H](O[Si](CC)(CC)CC)CC(=O)[C@H](OCc2ccc(OC)cc2)[C@@H](O[Si](CC)(CC)CC)[C@H](C)C[C@H](C)OC(=O)/C(C)=C/CCC[C@@H](O)/C=C/C[C@H](C)C1"]
["55528008","NC(=O)c1nc(-c2c[nH]c3nccc-3c2NC2[C@@H]3CC4C[C@H]2CC(O)(C4)C3)no1"]
["32273537","CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\\C(C)=O)[C@H](C)[C@@H](OCC(NOCc3ccc4[nH]c(-c5nccs5)nc4c3)CO2)[C@]1(C)O"]
["178711474","CC1=C(C2NCCCC3NC=C(C4CNCC(N=C(O)C5CC5)C4)C=C32)NC2=C(C1)C(C1=CCCOC=C1)C#CC=C2"]
["107259739","Cc1ccc([C@@]2(C)C[C@H](O)CCN2)c(C)c1"]
["173358057","OC1CCC2C[O+]=[Si-]O[Si-]=[O+]C12"]
["186731707","CC1OC[C@H]([C@H]2OC[C@H](O)[C@H]2O)O1"]
["23357618","O=C(O)[C@]1(O)OC[C@@H](O)[C@H](O)[C@H]1O"]
["103064378","C[C@@H]1O[C@@H](O)CC[C@@H]1O"]
["97581903","C[C@@H]1CC[C@H](O)[C@@H](O)O1"]
["33611273","O[C@@H]1CCC[C@@H]2O[C@@H]12"]
["173439186","OC[C@@H]1CC[C@H](O)[C@@H]1O"]
["162624575","OC(CF)CN1CC2CCC(O)C2C1"]
["66838207","CCOC(=O)C12CCC(CC1)C2C(=O)O"]
["157782108","Cn1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)nn1"]
["111240128","COc1ccc(CC2CC(C(C)(C)C)CCC2O)c(F)c1"]
["61018795","O=C(O)C12CCC(CC1)[C@@H](O)C2"]
["47115312","C=CC(Cl)c1nc(C(Cl)C=C)n(C)c1C(Cl)C=C"]
["84811401","Cc1nn(C)c2c1nc(C(C)Cl)n2CC(C)(C)C"]
["23752142","CN1C=NC(Cl)=c2nc3c(nc21)=C(Cl)N=CN3C"]
["162794169","C=C[C@@H](N)c1ccc(N(C)C)nc1"]
["175600178","C=CC(=C)c1c(Cl)ncn1-c1ccc(SC)cn1"]
["172638393","C=Cc1nc(N2CC3CCC3C2)nn1C"]
["161769080","C=Cn1nc(Cl)nc1Cl"]
["94649227","CCNC(c1c(Cl)cnn1C)C(CC)(CC)OCC"]
["119033655","C=CCCC(O)CN(C)Cc1nnc(C2CC2)n1C"]
["175724893","C=Cc1c(-c2ccc3ccoc3c2Cl)c(CC(=O)O)n(C)c(=O)c1C=C"]
["171094832","C=Cn1cc(C)ncc1=NC.CC"]
["162559939","C=CC(NN)c1cnn(C)c1I"]
["180927086","C=C1N=C(N=C2N=C(N=C3N=C(Nc4c5ccccc5c(N)n4[SiH](Cl)OC)c4ccccc43)c3ccccc32)c2ccccc21"]
["70002927","CC(C)ON=C1c2ccccc2-n2cccc21"]
["169686750","COC1CCN(c2nnc(-c3cccc4ccccc34)n2CCc2ccccc2)CC1"]
["148897758","CCOc1ncc(N=C(O)COc2ccccc2OC)cn1"]
["MCULE-2572622048","COCc1ccccc1-c1cc(C(F)(F)F)cnc1NC(=O)c1cc(=O)c2ccccc2o1"]
["33837216","COc1cccc(-c2cnc(-c3ccccc3)[nH]2)c1OC.Cl"]
["MCULE-5622136646","CCOc1ccccc1N=C(O)c1cc(-c2cccc3ccccc23)n(CCOC(C)=O)n1"]
["152119524","CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)N2C(=N1)SC(C#N)=C2N"]
["MCULE-6655657665","CCc1ccc(N2C(=O)C(Nc3cccc4ccccc34)=C(c3ccccc3F)C2=O)c(Br)c1"]
["131499912","CCCCC1CCCC1N=C(O)NN=C(O)c1nnc(O)c2ccccc12"]
["170557194","COc1c(-c2ccccc2F)ccc2c1cnn2C1CCOCC1"]
["119625236","COc1ccccc1OCC(O)=Nc1ccc(Nc2ccc(Cl)cc2)nc1"]
["179740496","OC(N=C1C=CC(c2c(C(F)(F)F)sc3c2CCCC3)=CI=C1)=C1C(F)=C[N-]C=C1F"]
["12458981","Cc1cc(C(F)(F)F)nn1CCC(O)=NC[C@H]1CCCO1"]
["179579040","OCCN=C1Nc2sc3c(c2C(O)N1)CCCC3"]
["MCULE-2004134057","N#Cc1c(N=C(O)c2c[nH]c3c(Br)cccc3c2=O)sc2c1CCCC2"]
["12361545","C[C@H](C(O)=Nc1sc2c(c1C#N)CCCCC2)[n+]1ccc2c(c1)CCCC2"]
["29229355","CC(CCn1nc(C(F)(F)F)c2c1CCCC2)C(=O)N=c1ccn(C)[nH]1"]
["65772316","CCOC(=O)c1c(N=C(O)CNc2cc(OC)c(OC)cc2C)sc2c1CCC2"]
["13779189","Cc1ccccc1N=C(O)N1CCc2c(sc3c2CCCC3)[C@H]1c1ccccc1"]
["45902607","CCOC(=O)c1c(N=C(O)C(C)Sc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)sc2c1CCCC2"]
["17163593","CCCCN(CCCC)c1nc2ccccc2[nH]c1=Nc1sc2c(c1C(=O)OCC)CCCC2"]
["11020163","CCOC(=O)c1c(N=C(O)c2nn3c(c2Cl)N[C@H](c2ccc(OC)cc2)C[C@@H]3C(F)(F)F)sc2c1CCCC2"]
["65407653","O=c1c2c3c(sc2ncn1Cc1ccccc1C(F)(F)F)CCCC3"]
["52471938","O=P(=O)CC=CN1CCNCC[NH2+]CC1"]
["107575316","NCC(=O)N1CSC[C@H]1C(=O)N1CCNCC1"]
["134094245","CSC(C(=O)N1CCNCC1)c1ccccc1.Cl"]
["89199609","CCC(C)N1CCNCCC1=O"]
["173133485","CCCCC=[N+]=CC=CN1CCNCC1"]
["83365483","Cc1ccc2c(c1)=[NH+]C1C(=O)N(CCN3CC[NH2+]CC3)C=[NH+]C=21"]
["162752094","CCCC1(N2CCNCC(C)C2)CC1"]
["146582445","CC1CCC(C)N1CCN1CCN(C(=O)C2CC23CCNCC3)CC1"]
["43645500","O=C(O)CN1CCNCCN(CC(=O)OCP(=O)(O)O)CCN(CC(=O)O)CC1"]
["146788236","CCN(CC)C(=O)CN1CCN(CC2CCNCC2)CC1.Cl"]
["74457774","CS(=O)(=O)O.CS(=O)(=O)O.Fc1cc(Cl)cc(CO[C@@H]2COc3ccccc3[C@H]2N2CCNCC2)c1"]
["8668731","Clc1ccc(-c2nc3sc4ccccc4n3c2CN2CC[NH2+]CC2)cc1"]
["172645221","CC1(C2(C[Si]C([O-])=[Si+]CC3(C4(C)CO4)CO3)CO2)CO1"]
["178931090","C[SiH2]CCCN=C(O)OC1(C)CC1"]
["76816928","CC(C)=CCCC1(C)C2CCC3(CO3)C3CCC(C)(O)C3C21"]
["65284717","CC1(CF)OCO1"]
["47420432","CC(O)=NC1(C)COC(C)OC1"]
["124975185","COc1ccc(CN(C(O)=NCC2(C)COC2)C(C)C2CC2)cc1"]
["112246909","CC(Cc1ccc(O)cc1)NCC1(C)CCOCC1"]
["162330546","CC1(CCC(=O)O)OCCS1"]
["43971502","[CH+]=C([O-])OCC1(C)COC1"]
["176426665","COC(=O)C(CCC1(C)CO1)C(=O)OC"]
["160252565","CCc1c(C(O)=NC2CCOC3(CCOC3)C2)cnn1C(CC)CC"]
["136624275","COc1ccc(Br)cc1CCC(=O)OCC1(C)CCOCC1"]
["49266503","ICOSCCCCCOSCI"]
["92924245","NC(=NO)c1ccc(SCCCO)cn1"]
["96618767","CCCCCCCCCCOc1cc(/C(C#N)=C(\\C#N)c2cc(OCCCCCCCCCC)c(Br)cc2OCCCCCCCCCC)c(OCCCCCCCCCC)cc1Br"]
["125962466","CN=C(O)N=C(O)CCSCCCCCOC"]
["96653977","CCCCCOc1cc2c(cc1OC[C@@H](C)CC)c1cc(OCCCCC)c(OC[C@@H](C)CC)cc1c1cc(OCCCCC)c(OC[C@@H](C)CC)cc21"]
["192540044","CCCCCCCOc1cc(C(=O)OC)c(OCCCCCCC)cc1C(=O)OC"]
["59474714","CCCCCCOc1ccccc1CC"]
["49515179","N=C(O)OCCCCI"]
["56861688","CCCCCCOc1cc(COc2cc(I)c(OCc3cc(OCCCCCC)c(OCCCCCC)c(OCCCCCC)c3)cc2I)cc(OCCCCCC)c1OCCCCCC"]
["122881057","COCCCCSc1nccn1C"]
["109443210","CC[C@@H]1C(O)=Nc2c(C)cc([C@@H](N)COC)cc21"]
["91625630","CCOC(=O)C(=O)OCCCCI"]
["175301031","CC(C)Cl.N=c1ccc(C2=CC3=CNCCO[C-]3C=C2)c[nH]1.[B+]C1([B+])c2cc(-c3ccc(=N)[nH]c3)ccc2OC([B+])([B+])C([B+])([B+])N1C([O-])c1c[cH-][cH-][cH-][c-]1C"]
["195927048","FC1(F)CCNCC1.N=c1ccc(/C=C/C(O)=NCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cn4)cc(Cl)c3o2)c[nH]1.N=c1ccc(/C=C/C(O)=NCc2cc3cc(-c4ccc(C(=O)O)cn4)cc(Cl)c3o2)c[nH]1"]
["MCULE-1323980468","Cc1cc(C)c(CC(=O)N2CCOC3(CCCN(C(=O)c4cnccn4)CCOc4ccccc4C(O)=NC3)C2)c(C)c1"]
["196372556","CN(C)S(=O)(=O)c1ccc(-c2[nH]c3[nH]c(=N)nc(O)c3c2-c2ccc3c(c2)OCC3)cc1"]
["161277356","N=c1ccc(CN=C(O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cn4)cc(-c4ccc(F)cc4)c3o2)c[nH]1"]
["99308962","N=c1ccc(/C=C/C(O)=NCc2cc3cc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)cc(C(F)(F)F)c3o2)c[nH]1"]
["94439281","C[C@H]1CC[C@H](n2cncc2-c2ccc(=N)[nH]c2)CC1"]
["175967138","CC(C)COC(=O)N1CCC2(CCc3cc(-c4ccc5cc[nH]c(=N)c5c4)ccc32)CC1"]
["192444989","CC1(F)CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)c4oc(CCC(=O)/C=C/c5ccc(=N)[nH]c5)cc4c3)cc2)C1"]
["145166344","CC1COCCN1c1nc(-c2ccc(=N)[nH]c2)nc2ccc(-c3cccc(C(F)CCNS(=O)[O-])c3F)nc12"]
["75106286","COc1ccc(F)c(-c2ccc3c(c2)C2(COC(=N)N2)C2(COC2)C2(CCC2)O3)c1"]
["27786838","N#Cc1cc(Cl)cc(-c2ccc3c(c2)C2(COC(=N)N2)[C@H]2CCC(O)CC2O3)c1"]
["175671117","O=C1C(=O)c2c(O)c([OH2+])c3c(O)c(O)c(O)c4c3c2[NH+](C1=O)C41[NH+]2C=CC=c3ccc4c(c32)[NH+]1C=CC=4.O=C1c2c(O)c(O)c(O)c(O)c2-c2c(O)c(O)c(O)c(=O)n21"]
["149268862","COc1cccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)C2c2cccc(O)c2)c1OC"]
["155798993","C[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1"]
["104454898","O=c1c2ccccc2nc(/C=C\\c2ccccc2F)n1-c1cccc(O)c1"]
["73982109","O=C(c1cccc(O)c1)c1ccc(O)c(O)c1O.[N-]=[N+]=NC1=C(S(N)(=O)=O)c2c(N=[N+]=[N-])cccc2C(=O)C1=O"]
["30372495","OC1=NN=C(c2ccc3c(c2)CCN(C2=CC=C2)CC3)C2CC12"]
["18976511","O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2F)[C@@H]1C(=O)c1ccccc1"]
["172647586","CCN1C(=O)c2cccc3c(S(=O)NCc4ccc(C(=O)O)s4)ccc1c23"]
["29293068","Cc1cc(CN=C(O)c2nc3n(c(=O)c2O)CC2(F)CCC3(N=C(O)c3cc(C(=O)N(C)C)on3)CC2)ccc1F"]
["82940742","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C=C(C)O1"]
["194958242","COc1c2c(c(O)c3c1C(=O)c1c(O)cccc1C3=O)-c1c(cc3c(c1O)C(=O)O[C@](C)(OC)C3)CC2"]
["17332528","Cc1onc(-c2c(Cl)cccc2Cl)c1N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-]"]
["193373693","Cc1c(C)c(C)c2c(c1C)Oc1c(C)c(C)c(C)c(C)c1N2C.Cc1c(C)c(C)c2c(c1C)Sc1c(C)c(C)c(C)c(C)c1N2C.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2C"]
["54651577","Cc1c(C)c2c3c(c1C)c(=O)c(C)c(C)n3[C@@H](C)CO2"]
["184767411","[C-]#[N+]c1ccc2c(c1)N(c1c(C)c(C)c(C)c(C)c1C)[C@@H](C)N2C"]
["56480586","C=C(c1c(C)c(C)c(C)c(C)c1C)c1cn(C)c2c(C)c(C)c(C)c(C)c12"]
["28100998","Cc1nc(-n2c(C)c(C)c3c(C)c(C)c(C)c(C)c32)c(C)c(-n2c(C)c(C)c3c(C)c(C)c(C)c(C)c32)n1"]
["191279420","Cc1c(C)c(C)c2c(cc3c4c(C)c(C)c(C)c(C)c4c4c(C)c(C)c(C)c(C)c4n32)c1C"]
["154688842","Cc1cc(Br)c2c(C)c(-c3ccccc3)n3c2c1N(S(C)(=O)=O)CCC3"]
["42644547","[B+]=c1ccc(=C2[N-]c3c(C)c(C)c(C)c(C)c3S2)cc1"]
["113219970","Cc1c(C)n(CCN2CCSCC2)c2ncnc(N)c12"]
["170148551","Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(Br)c1n2-c1ccccc1"]
["SN0420386-01","CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(\\C)NCC(=O)N3CCCC3)C(=O)C12C"]
["33845102","Cc1c(C)c2c(c(C)c1O)[C@@H]1C=CC[C@@H]1O2"]
["48404698","O=[P+](OS(=O)O)OP(=O)(OC=[OH+])OP([O-])OS(=O)#[O+]"]
["175869866","O=P(=O)OP(=O)(OF)OF.[Li+]"]
["174916655","O=S(O)N1CCC(N=C[O-])C1"]
["171618536","O=C([O-])OS(=O)(=O)S(=O)O.[Na+]"]
["43300790","N=C([O-])C(C=CCOS(=O)O)C(=N)O"]
["100195755","O=C(C=CC(=O)OS(=O)#[O+])OS(=O)[O-]"]
["42167351","Nc1cc(P(=O)(O)O)ccc1OS(=O)O"]
["54334968","COP(=O)(OC)OC=C([36Cl])[36Cl]"]
["79669282","C=CC(C)OS(=O)O"]
["172902876","C=CCOCCCP(=O)(CCCOCC=C)CCCOCC=C"]
["173293568","O=P(=O)OS(=O)OP(=O)=[OH+]"]
["172682297","COP(=O)(OC)OC=C(Cl)Cl.Cl.Cl"]
["178235235","C1OC1C1=C2C[N+]23C(C1)C1C2=C4CC2C4C13"]
["99925343","Nc1c(OC2COC2)nc(Cl)nc1C(=O)O"]
["144904781","O=C(O)C1(c2ccc(C3COCO3)cc2)CC1"]
["179114490","CC1=C2CC3C(C2C)[N+]13C"]
["47235743","O=C1CCC2=C3C4CCCC5OC6CC(=O)CCC6=C(C6CCCC(OC2C1)C36)C54"]
["8321253","C[C@H]1COC[C@H](C)N1c1c(Cl)c(Cl)c(Cl)c([N+](=O)[O-])c1[N+](=O)[O-]"]
["184540500","CCC1=C2C3CCCC1C23"]
["197367182","c1nc(C2CC2)c(C2CO2)s1"]
["49756212","CS(=O)(=O)N(Cc1ccccc1)c1cccc([C@@H]2CO2)c1"]
["48826996","CC1CNCC(c2cc(F)c(Cl)cc2Cl)OC1"]
["46252848","CC1COCC(C)N1c1c(Cl)c(Cl)c(Cl)c([N+](=O)[O-])c1[N+](=O)[O-]"]
["167173593","C1=C(C2CO2)CCC1"]
["173351993","CCC(C)P1C(O)C(O)P(=S=S)(C(C)CC)C(O)C1[OH2+]"]
["5041644","CCCCN=C(O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1"]
["79980243","CCC(C)N=C(O)C1(CC)C(C)C1(Cl)Cl"]
["59079545","CCC(C(C)=O)c1ncc(Br)cn1"]
["128337113","CCC(C)(C)N=C(O)C(C)Nc1ccc(CC(F)(F)F)cc1"]
["171391903","[13CH3][13CH2][13C@H]([13CH3])[13C@@H]1N=[13C](O)[13C]([13C]([13CH3])=O)=[13C]1O"]
["150532692","CC[C@H](C)C(=O)SC#N"]
["43258183","CC#CC(C)SC(C)CC"]
["104853019","CCCC1CCC(N[C@H](C)CC)(C(=O)OCC)CC1"]
["139754382","CCC(C(O)=Nc1cc(C2CC2)nc(C)n1)c1ccccc1"]
["51778307","CCC(NC1CC2CCC(C1)N2C)C(C)C"]
["100745094","CCC(C)OC(=O)C(C)COC"]
["168597696","OC1=C(c2c(S)c(S)c(NS)c(S)c2S)C(O)=C1c1c(S)c(S)c([N+](=S)[S-])c(S)c1S"]
["83163252","Cc1c(C)c(N(C)C)c(C)c(C)c1C1=C(O)C(c2c(C)c(C)c(N(C)C)c(C)c2C)=C1O"]
["173593848","C=C(CC)c1cc(O)cc(Cl)c1"]
["31150052","OC1=C(c2c(O)cc(N(c3ccccc3)c3ccccc3)cc2O)C(O)=C1c1c(O)cc(N(c2ccccc2)c2ccccc2)cc1O"]
["174703843","O=[N+]([O-])Cc1c(S)c(S)c(O)c(S)c1S"]
["179062059","O=c1c(O)c(NS)c1=O"]
["99532016","S=C(S)[N+](=S)[S-]"]
["182269165","Oc1cnc(S)c(O)c1"]
["74180516","Oc1ccc(NS)nn1"]
["73950277","S=[N+]([S-])c1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["173180157","CC1=C(C)C2OC(C)(C)C=CC2C(C)=C1O"]
["170204350","Cc1c(O)c(S)c(O)c(-c2c(C)c(O)c(O)c(O)c2O)c1O"]
["171370464","FC1=C(F)C2=C3N=C4N=C([N-]C5=C6C(F)=C(F)C(F)=C(F)C6C(=N5)[N-]c5[n-]c(c6c(F)c(F)c(F)c(F)c56)[N-]C(=N3)C2C(F)=C1F)c1c(F)c(F)c(F)c(F)c14.[Fe+4]"]
["24864036","FC1=C(F)C(F)c2c(F)c(F)c(F)c3c(F)c(F)c(F)c1c23"]
["171370465","FC1=C(F)C2=C3N=C4N=C(NC5=C6C(F)=C(F)C(F)=C(F)C6C(=N5)Nc5[nH]c(c6c(F)c(F)c(F)c(F)c56)NC(=N3)C2C(F)=C1F)c1c(F)c(F)c(F)c(F)c14"]
["190232195","[B+]=c1c(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)c2cc([O-])ccc2c1=C1C(F)=C(F)C(F)C(F)=C1F"]
["101753821","FC1=C(F)C(F)C(F)c2c(F)c(F)c(-c3c(F)c(F)c(-c4c(F)c(F)c(-c5c(F)c(F)c(-c6c(F)c(F)c(-c7c(F)c(F)c8c(F)c(F)c(F)c(F)c8c7F)c(F)c6F)c(F)c5F)c(F)c4F)c(F)c3F)c(F)c21"]
["171034620","FC1=C(F)C2=C3Nc4[nH]c(c5c(F)c(F)c(F)c(F)c45)NC4=C5C(F)=C(F)C(F)=C(F)C5C(N4)Nc4[nH]c(c5c(F)c(F)c(F)c(F)c45)NC(N3)C2C(F)=C1F"]
["185109654","NC1=C(N)[N-]C(=C2N=C(c3c(F)cccc3F)N=C2c2ccccc2)C=C1"]
["32703320","Fc1c(F)c(F)c2c(c1F)C1=NC2=NC2=NC([N-]C3=NC([N-]C4=NC(=N1)c1c(F)c(F)c(F)c(F)c14)c1c(F)c(F)c(F)c(F)c13)c1c(F)c(F)c(F)c(F)c12.[O].[V+2]"]
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["197747010","Fc1c(F)c(F)c2c(-c3ccccc3)nnc(Cl)c2c1F"]
["68539020","Cc1ccc([Si]2(c3ccc(C)cc3)C[O+]=[Si]=[Si-](c3ccc(C)cc3)(c3ccc(C)cc3)[Si]2(c2ccc(C)cc2)c2ccc(C)cc2)cc1"]
["MCULE-6659174930","CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C)cc1"]
["26184552","Cc1ccc(C=C(C#N)c2ccc(C)cc2)cc1"]
["25376182","COC(C)c1cc2ccc(C)cc2s1"]
["70395206","Cc1ccc(S(=O)(=O)N2CC=CC2CC2C=CC(=O)O2)cc1"]
["982325","COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1"]
["108609085","Cc1ccc(-c2scc(Br)c2C)cc1"]
["148597416","Cc1ccc(-c2ccc(-c3[nH]nnc3C#N)cc2)cc1"]
["87016516","Cc1ccc(C2C(=O)N=C(O)CC23CC2CCC3C2)cc1"]
["14948599","Cc1ccc(S(=O)(=O)NN=C(C2CC2)C2CC2)cc1"]
["63410584","COC(=O)C1CCCN1C(=O)c1ccc(C)cc1"]
["63113929","Cc1ccc(C(c2ccc3c(C)c(C)[nH]c3c2)c2ccc3c(C)c(C)[nH]c3c2)cc1"]
["184303706","NC1=[B-]=IB=BC=C1"]
["25905962","NC1=C=N[C](c2ccccc2)C=C1"]
["200141893","NC1=[C-]CC(Cl)=IN1"]
["161667503","CC1C=C(Cl)C=CC1(N)Cl"]
["185859272","NC1=CSCC=C1"]
["195350698","NC1=IC=C(N=O)C=C1"]
["179878974","NC1=IC=C(O)C=C1"]
["175172105","[CH2-]Oc1cccc(N)c1.[K+]"]
["90077550","COc1n[nH]cc1N"]
["163156884","CN1C(=O)CCN1c1cc(N)cc(C#N)c1"]
["68612524","NC1=CN(N)NC=C1"]
["78577289","COc1ccc(N)bp1"]
["91462737","B1=[B-]2C=CB3[B+]C3C12"]
["160275337","Cn1cc(N2CCC(N=C(O)Nc3cnns3)C2=O)cn1"]
["169746719","COC1CCC(OI)CC1"]
["169411042","O=C(O)C1CC[C@@H]2CCCS(=O)(=O)N12"]
["99746853","O=C(O)[C@H]1[B]c2ccccc2C1"]
["161711631","COC1C=CC=CB1OCCl"]
["145248851","COc1c(C(C)C)ccc(C(C)C)c1C(=O)O"]
["169411043","O=C(O)C1CC[C@@H]2CCCCS(=O)(=O)N12"]
["CSSS20621712352","CO[C@H]1C[C@]2(C(=O)N3CCN(C(=O)C4SCCS4)C(CCO)C3)C[C@H]12"]
["CSSS20621693204","O=C(NC1[C@H]2C[C@H]2[C@@H]2C[C@H]12)C(=O)N[C@H]1C[C@]2(C(=O)O)C[C@H]12"]
["180641740","O=C(O)C1CCC=CC1C1CCCCC1C(=O)O"]
["160240567","OC(=NC1CCN(C2CCCC2)CC1)Nc1cnns1"]
["90614134","C=CC1=NC(C)(C2=NC(C)(C3=NC(C)(c4nc(C(O)=NC)c(C)o4)CS3)CS2)CS1"]
["140982237","CCc1cc(C(O)=NC2CC(C)(C)OC2(C)C)cc(O)n1"]
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["MCULE-7196043982","CN=C(O)c1ccc(-c2cc(C)c(C)cc2C)cc1F"]
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["MCULE-4627135726","CN=C(O)c1nn(-c2cc(C)cc(F)n2)c(C(F)(F)F)c1[N+](=O)[O-]"]
["131042956","CCn1cc(C(O)=NC2CCC(C)(C)CC2)cn1"]
["105003530","Cc1occc1C(O)=N/N=C1/CCCc2oc(C(N)=O)c(C)c21"]
["CSSS20621689438","Cc1nc(NC(O)=N[C@H]2[C@H](CO)[C@@H]3CCC[C@@H]32)oc1C"]
["153282660","C=C[C@@]1(C)CC(=O)[C@]2(O)[C@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(=O)OCC)[C@@]2(C)O1"]
["96329369","Cc1nc(N=C(O)c2sc(=NC3CCC3)[nH]c2N)sc1C"]
["148341277","Cc1nc(C2CC2)oc1C(=O)N1CCC(C)CC1C(=O)O"]
["184300846","O=[S+]1(NC2=Cc3ncnc(NC4=C(O)C=C(F)CC4)c3[C@H](F)C2)CCCC1"]
["190146608","CN1CC2CC1CN2C(=O)C1CCc2c(sc3ncnc(Nc4ccc5c(c4)SC(=O)C5)c23)C1"]
["185762214","COc1cc(N)c(C=[NH2+])cc1Nc1ncnc2sc3c(c12)CCC(C(=O)N1CC(O)C1)C3"]
["125772558","CCc1nc2n(n1)CCCC2NC(O)=Nc1ccc(C)c(F)c1"]
["MCULE-3989795436","CC(C)Cn1c(C(=O)N2CC(C)CC(C)C2)cc2c(NCC3CCCO3)ncnc21"]
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["140397699","Cc1cc(F)ccc1N=C(O)C(=O)NC1CCCc2sccc21"]
["115044003","CCc1ncnc(NC2CCCC(CC)C2)c1F"]
["195212367","O=C1CCC[C@H]2[C@@H]3C[C@@H](CN(c4cc(C5CC5)ncn4)C3)[C@H](Cc3cccc(F)c3)N12"]
["7485602","CCOC(=O)[C@@H]1CCc2sc3ncnc(SCC(O)=NC(O)=Nc4ccccc4)c3c21"]
["178271880","CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc3c(c12)CC[C@H](C(=O)N1CC(O)[C@H](O)C1)C3"]
["26274142","COc1cc2c(Nc3cc(O)c(Cl)cc3F)ncnc2cc1OCCOC1CCCC1"]
["178983371","C1=NN(c2cc3ccnnc3s2)C=c2sc(=c3ccc4c(c3)[NH+]=CC=4)cc21"]
["86029429","CN(Cc1nccn1C)C(=O)c1sc2nnccc2c1N"]
["86029304","Nc1c(C(=O)N2C3CCC2CC(O)C3)sc2nnccc12"]
["159366967","NS(=O)(=O)N1CCNC[C@H]1c1ccc2ccnnc2c1"]
["81864833","CC(C)(C)c1cc2ccnnc2s1"]
["111236986","Nc1c(C(=O)N(CCO)C2CCC2)sc2nnccc12"]
["198755225","CS(=O)(=O)N1N=Cc2ccc(C(CN)C(=O)Cc3ccc4cnccc4c3)cc2B1O"]
["113210251","CC1=CCCN(C(=O)c2sc3nnccc3c2N)C1"]
["86029685","Nc1c(C(=O)N(CC2CC2)C2CC2)sc2nnccc12"]
["19852025","C=CCn1c([S-])nnc1Cc1csc(NC(=O)c2cc3c(F)cccc3s2)n1"]
["156136677","CN1CCC(c2ccc3ccnnc3c2)CC1"]
["9162594","Cc1ccc(C)c2sc(N=C(O)[C@@H]3CCCN3S(C)(=O)=O)nc12"]
["161962363","C(=CC=C1C=C(c2ccc[se]2)[Se]C(c2ccc[se]2)=C1)C=CC1=CC(=C2C=CC=[Se+]2)[Se]C(c2ccc[se]2)=C1"]
["101273645","COC(=O)c1cccc(-c2ccc[se]2)c1"]
["90857664","CCOC(=O)C=CC=Cc1ccccc1C"]
["164306501","C(=CC=C1CCC(C=CC=Cc2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)=C1c1ccccc1)C=C1C=C(c2ccccc2)OC(c2ccccc2)=C1"]
["161816316","O=C(C=[Se])c1ccc[se]1"]
["68239337","Cn1nc(C(=O)NN/C=C2/C=C([N+](=O)[O-])C=CC2=O)c2ccccc2c1=O"]
["178943274","O=C1C(C=CC=CC=C2C(=O)c3cc4ccccc4cc3C2=O)=C([O-])C2=C1C=C1C=CC=CC1C2"]
["33825205","CC(C)(C)C1=CC(=C/C=C/C=C/C=C2\\C(=O)ON=C2c2ccccc2)C=C(C(C)(C)C)O1"]
["179629939","c1c[se]c(-c2cc[nH]c2-c2ccc[se]2)c1"]
["59597466","Cc1ccccc1NC(=O)C(=O)NNC=C1C=CC(=O)C(Br)=C1"]
["23016628","c1c[se]c(-c2cnc(-c3ccc[se]3)s2)c1"]
["76690716","C(=CC=C1C=C(c2ccccc2)OC(c2ccccc2)=C1)C=Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1"]
["174867094","CSP.C[Br+]CCc1ccc(/C([S-])=C(/[S-])C2=C(C)CCC(C)=C2)cc1"]
["MCULE-9725778483","COCc1ccc(C(=O)N2CC3CC(CN(C(=O)CCc4cnn(C)c4)C3)C2)cc1"]
["121400890","O=C(NCCc1cscn1)c1ccc(CN2CCCC2=O)cc1"]
["108076847","Cc1ccc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)c(=O)n1C"]
["16954109","COc1cc(CN=C(O)N(C)C2CCN(CCc3cccc[nH+]3)CC2)ccc1C"]
["93908030","CCNC1CCC(OCCc2ccc3c(c2)CCO3)CC1"]
["109578171","CCCc1ccc([C@@H]2NCCc3c2ccc(F)c3O)cc1"]
["133102074","Cc1ccc(C(O)=NN=C(O)c2ccc(N3CCCC3=O)cc2)o1"]
["48109080","CCCc1ccc(C(=O)OCCC(Br)c2occ3ccccc23)cc1"]
["150142549","CCCC1Cc2ccc(C(F)=C(F)c3cc(F)c(-c4ccc(CC)cc4)c(F)c3)cc2C1"]
["134418246","COC(C)COC(=O)c1cccc(N2CCCC2=O)c1"]
["12857292","Cc1ccc(C(=O)N2N=C3CCCCC[C@H]3[C@]2(O)C(F)(F)F)cc1"]
["195652775","[O-]N1O[N+]([O-])=C2C=C3C(C=C21)N([O-])ON3[O-]"]
["195373019","[O-]N1ON([O-])C1C1N([O-])ON1[O-]"]
["195866138","Nc1c(N)c(N)c2c(c1N)N([O-])ON2[O-]"]
["76246134","O=C(c1ccccc1)C1O[N+]([O-])=C(c2ccccc2)C1c1ccccc1"]
["42830739","O=[N+]([O-])C1=C2[N-]O[N+]([O-])=C2C=CC1O"]
["58572492","CN(C)c1ccsc1C1C([N+](=O)[O-])=CC([N+](=O)[O-])=C2NO[N+]([O-])=C21"]
["103991795","COC(=O)C1=[N+]([O-])O[C@H](C(=O)OC)[C@@H]1c1ccc(F)cc1"]
["195652774","[O-][N+]1=C2C=C3C(=CC2[NH+]([O-])O1)[NH+]([O-])O[NH+]3[O-]"]
["59303915","Cc1pccn1[Si](C)(C)C"]
["103013661","O=[N+]([O-])C1=CC([N+](=O)O)=C2NO[N+]([O-])=C2C1C1C(N2CCCCC2)=CC(N2CCCCC2)=CC1=[N+]1CCCCC1"]
["195299345","NN([O-])C1C=C2C(=CC1)N([O-])ON2[O-]"]
["161812555","CC(=O)n1cc(C2C(C(=O)O)=[N+]([O-])OC2C(=O)O)c2ccccc21"]
["173477930","[NH-]C=c1c(Cl)c(Cl)c(Cl)c(Cl)c1=C=NC1=NC(=NC2=NC(=[NH2+])c3c(Cl)c(Cl)c(Cl)c(Cl)c32)C2C1=C(Cl)C(Cl)=C(Cl)C2Cl.[Ni]"]
["185057759","Cc1ccc(N)cc1N=C1N=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21"]
["115034958","Cc1nc(Cl)nc2c1N=C(O)CC(C)S2"]
["170491048","CN(C)C=O.O=C1N=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21"]
["30528916","O=C(O)C1N=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O"]
["24892518","N=C1N=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21"]
["101691449","N=C1N=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.[K+]"]
["156261288","O=Cc1c(I)ccnc1-c1c(F)cc(C2CC2)cc1/C=C\\N=CO"]
["60561379","Oc1c(Cl)c(Cl)c2c(c1Cl)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["121863974","Cc1nc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)no1"]
["63578417","Cc1c(C)c(N=C2N=C(O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(C)c(N=C2N=C(O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1C"]
["174399044","N=C1NC(C=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21"]
["177041120","[B+]=C1[C-]=C([C-]=[N-])[C-](C(F)(F)F)C(=[B+])[C-]1[N+]1=C([O-])C(C)(C)[N+]([C-]2C(=[B+])C(=[B+])C(C(O)=NC)C(=[B+])C2=[B+])=C1[S-]"]
["99527189","CN=C(O)[C@H]1C[C@@]2(c3ccccc3)N[C@@H]1CC[C@@H]2OCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["194695124","[B+]=c1c(N[S+]([O-])([O-])=NC(C)C(F)(F)F)nn(C)c1=C(O)O"]
["195555180","Cc1cccc(N=C(O)C2CCC(O)(C(F)(F)F)CC2)c1C"]
["53199904","CCN1C(=O)C(C(O)=Nc2cccc([N+](=O)[O-])c2)C2CC1(C)Oc1ccccc12"]
["1480677","Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(O)=Nc1ccccc1F)S2"]
["164955088","CC1(c2ccccc2)CC(C)(C)N(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21"]
["174743060","CCOC(=O)c1[nH]c(CC)c(CC(O)=NC)c1C(F)(F)F"]
["53706685","CN=C(O)C1CCCN1Cc1nnsc1N"]
["128744676","CN=C(O)C1CCCN(C(=O)c2cccc(F)c2Cl)C1"]
["198952661","Cc1cc(=NC(=O)c2cnn(-c3ccccc3)c2C2CC2)nc2nc(C(F)(F)F)[nH]n12"]
["61545025","CCOC(=O)c1c[nH]c2c(C)cc(Cl)cc2c1=Nc1cccc([O-])c1.Cl"]
["180037007","CI=c1ccn2[n-]c(I(C)Nc3ccc4cc(=NCI=c5ccn6[cH-]c(=IC)cc6[n-]5)[nH]n4c3)cc2c1"]
["134829333","COC(=O)Cn1ccc(=NC(=O)Cc2ccccc2Br)[nH]1"]
["164206581","CC1CN(C(=O)N=c2cc3ccccn3[nH]2)CC1CN"]
["187381506","CCC(C)OCCc1ccc([C@@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1"]
["82886441","COc1cc(C(=O)N2CC3OCCCC32)ccc1N=c1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2[nH]1"]
["196414394","CC(O)=NC(C)(C)COc1cnc(C)cc1-c1ccn2[nH]c(=Nc3cc(C)nc(C)n3)cc2c1"]
["175707238","CC(Nc1c(F)c(Cl)c(-c2ccn3[nH]c(=NC(=O)C4CC4F)cc3c2)c2c[nH]nc12)C(F)F"]
["139225299","COC(=O)Cn1ccc(=NC(O)=NCC(c2cccnc2)C(C)C)[nH]1"]
["164205233","CC1CC(N2CCCC2)CN1C(=O)N=c1cc2ccccn2[nH]1"]
["43239240","COc1ccc(C)cc1N=C(S)N=c1ccn(Cc2ccc(Cl)cc2Cl)[nH]1"]
["1919735","COC(=O)Cn1ccc(=NC(=O)Cc2ccc(-n3cccc3)cc2)[nH]1"]
["101951182","O=C(Cc1ccc(-c2ncon2)cc1)N=c1ccn(Cc2ccc(F)c(F)c2)[nH]1"]
["88101735","NCc1ccc2onnc2c1"]
["200104540","COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cc(CN)cn3)cc(OC)c12.Cl"]
["57293773","CCc1ccc2ccc(Cl)nc2c1"]
["62917636","COc1cc(CCC(O)=Nc2ccc3oc(C)nc3c2)cc(OC)c1"]
["94017283","NCc1cccc(N=C(O)CN2CCOCC2CO)c1"]
["47199141","CC(C)(C)C1CCCN(c2ccc(CN)cc2F)CC1"]
["14625143","CCCn1nnc2cc(-c3noc(-c4ccc(CS(=O)(=O)c5ccccc5)cc4)n3)ccc21"]
["84977686","CCc1ccc(-c2noc(COCCN)n2)cc1"]
["167019022","O=C(O)C1NCCCC1Cc1ccc2ncoc2c1"]
["151440435","CN=C(O)[C@@H]1CCCN(C(=O)c2ncccc2-c2cccc(CN)c2)C1"]
["94565256","COCCN(CCO)Cc1cc(C#CCN)cs1"]
["144850298","COCC(OC)c1ccc(CN)cc1"]
["184416995","CC/C=C\\NNCN1C=CC(C)=CC1=C1C(=[F+])C=C(F)CC1/C=C1/[C@@H](Cl)C2CC(F)=CC(=[F+])C2=C2C=C(C)C=CN21"]
["149985042","CC1=C=C(C(C)=CCC(F)(F)C(C)C)C=C(c2nc(C(O)N=C(CNCC3CCOC3)CN3CCC(C)(C)C3=O)co2)C=C1"]
["96164110","CCCNCC1CCCCC1Cc1ccc(Cl)cc1F"]
["137480334","Cc1nc(C)c(C(C)NCC2(c3ccc(F)cc3F)CC2)s1"]
["184352192","Cc1ncc(C(O)=Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#CC1=C2NC(C=CC=[NH2+])=NC12"]
["199294659","CC1=Nc2ccc(-c3ccn4nc(N[C@@H]5CN(C6COC6)C[C@H]5F)ncc34)nc2C(NCC(F)F)C1"]
["90703871","C=CC1(C)C2=C3c4c([nH]c5cccc(c45)C(C)(C)C3CC1Cl)C(C)(C)C(C#N)=C2"]
["172843166","Cc1cn2c(c1C(=O)C(=O)NC1(CO)CC(F)(F)C1)C(C(O)=Nc1ccc(F)c(Cl)c1)CC2"]
["180480075","CC/C=C(\\CCC)CC1c2c(cc(F)c(C(F)(F)F)c2F)[C@@]2([C@H]3C4=C(c5cc(CCC)c(CC)c[n+]53)C(F)C(CC)C(F)C4)C3=CC(F)=C(C(F)(F)F)C(F)C3C3=CC(CCC)C(CC)CN3[C@H]2N1C"]
["141120247","Cc1cc(CC(C)N=C(O)C2CC(=O)N(C)C2c2ccc(Cl)c(F)c2)n[nH]1"]
["6983887","CCN=C(O)[C@@H]1Cc2ccc(OC)cc2N2CCN(c3ccccc3OC)C[C@H]12"]
["165022167","C=CCN1C(=O)C2=C(C(=C3C=C(C)C=CC3=O)NN2)C1c1ccc(OCC)cc1"]
["192586781","NN[c-]1cc2c(cc1=IN)c1cc(=IN)[c-](N)cc1[c-]1[cH-]c(=IN)c(=IN)cc21"]
["107023584","CCOC(=O)c1ccc2c(c1)nc([C@H](NC)C(=O)O)n2C"]
["174751796","N=C(O)c1ccc2cccc(-c3ccc4c(ccc5c6c(ccc54)CCCC6)c3)c2c1"]
["175335996","C=C/C=C\\C=C/c1c2ccccc2c(-c2ccccc2C=C)c2cc3c(cc12)-c1ccccc1C3(C)C.C=c1cccc/c1=C/N.NNc1ccccc1"]
["121997375","Cc1nc(C2CCCN2Cc2nnc(-c3ccc(Cl)cc3)n2C)cs1"]
["78410745","C=C(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(CO)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1"]
["171881846","NCCC(O)C(O)c1cc(O)cc(C(F)(F)F)c1"]
["91868935","CC(CS(C)=O)Nc1cc(NN)nc(C(C)C)n1"]
["144920031","Cc1c(C)n(C)c2ccc(-c3cc(N)on3)cc12"]
["107023582","CN[C@H](C(=O)O)c1nc2cc(C(=O)O)ccc2n1C"]
["180908918","C=CC(O)=N[c-]1cc(-c2cnc(N)c(C(C)=N)c2)ccc1=II"]
["184414192","COc1cc(-c2c[nH]c3ccc(-c4c(F)cc(C)cc4F)cc23)nc(N2CCC(N)CC2)n1"]
["183844541","CCCOC=CC1C=CC=CC1(O)C=COCCCC=COCC"]
["102946148","CCC/C=C/CCCOC(=O)c1ccc(S(=O)(=O)O)cc1C(=O)OCCC/C=C/CCC"]
["171753186","CCC/C=C(\\C(=O)OCCCCC)c1csc(=N)[nH]1"]
["50895093","CCCOc1coc(/C=C/c2cnc(C(C)C)o2)n1"]
["21071594","CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3c(C)cccc3CC)ccc21"]
["126625951","CCOC(=O)CN(CC)CC(=O)N(C)C1CCCCC1C"]
["184701740","C=CC.CC.CCCOC(=O)CN"]
["161418094","CCCCC/C=C/C/C=C/CCCCCCCOC(C)=O"]
["59110712","CCCCOC(=O)O[C@@H]1C=C[C@H](N=C(C)O)C1"]
["173287475","CCCCOc1c(CC)cc(OCC=C(Cl)Cl)cc1CC"]
["195124630","CCCCCCCCCCOCOC=CCCCCCCCCCCCC(OCCCC)OCCCC"]
["174439037","CC=C(C)C=CCC(=O)OCCC"]
["180093301","N=C1C(F)=CC=C2C=NC(=[n+]3ccc4[c-]3C=CC=CC=4)C=C12"]
["82690080","N=C1C(=O)c2cc[n+]([O-])nc2C(N)=C1[NH3+]"]
["150064678","Cc1c(C2=CC=C=CC=C2F)sc2nc(=N)[nH]c(O)c12"]
["73570630","C=S1(O)=Nc2cccc(O)c2C(=N)N1"]
["139179925","CC(C)(C)C(N=C(O)CN1C(=O)N=C(O)C1(C)C)c1ccc(F)cc1F"]
["194320256","CC(C)(C)n1nc(-c2ccc(F)c3c2C=NC3)c2c(N)[nH]c(=Nc3ccc(S(C)(=O)=O)cc3F)nc21"]
["190453160","CC([O-])=CC(C)=C1C=CC(=N)N=C1"]
["73585475","N=C1NC2(CO1)c1cc(C3=C/C(Cl)=C\\C=C/C=C3F)ccc1OCC21COC1"]
["25598118","Cc1ccc(S(=O)(=O)Oc2ccc(F)c3c2C(=O)c2cc[n+]([O-])cc2C3=O)cc1"]
["186229931","N=C1C=C(I)C=N1"]
["162349948","O=C1N=CC=C2C(F)=CC(F)=C(F)C12"]
["181364480","N=C1CC(F)=Cc2cccnc21"]
["74517751","CC(C)(C)[N+]1(C[C@@H]2CCC3=C4C(=N[N][N+]3=O)C=CC(=O)C42)CC[CH]CC1Cc1cc2c(c[nH+]1)=[O+]CC[O+]=2"]
["91334980","Cc1nnnn1C1CCC2C3C(=O)C=C4C=CCCC4(C)C3CCC21C"]
["200214959","Cc1cc(C(O)[C@@H]2CC[C@H]3CCC(=O)N3C2)nnc1-c1ccc(C(F)(F)F)cc1O"]
["163555787","Cc1cccc(-c2c3c(nn2C)C2(C)C=C(C#N)C(=O)CC2CC3)c1"]
["MCULE-2535470065","CC(C)c1ccccc1N=C(O)C1CCN(C(=O)C2CC(=O)N(Cc3ccccn3)C2)CC1"]
["123138063","CNS(=O)(=O)c1ccc2c(c1)N(CC1CCC(C(F)(F)F)CC1)CC2"]
["169957309","CCOC(=O)C1Cc2c(cc(C(F)(F)F)nc2Cl)N1C(=O)CN"]
["MCULE-7225669292","COc1ncc(-c2cccc(C)c2)cc1N=C(O)C1CC(=O)N(Cc2ccccn2)C1"]
["61716468","Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)c12"]
["196840510","CN1C(=O)N(c2cc(C3CC3)cn3cc(CN4C(=O)C5=C(CCC=C5)C4=O)nc23)C2(CC2)C1=O"]
["103761036","CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(N3C(=O)[C@H](C)CS3(=O)=O)c2)C1"]
["MCULE-5675081564","Cc1ncc(-c2ccc(C(C)(C)C)cc2)cc1N=C(O)C1CC(=O)N(Cc2ccccc2)C1"]
["194625972","C/C=C(\\C)C(F)(O[Si](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(O[Si](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)/C(F)=C(C(/F)=C(\\C(F)(F)F)C(F)(F)/C(=C(/F)I)C(F)(F)F)\\C(F)(F)F"]
["90772397","CCOC(=C(C#N)C(O)c1c(C)cc(C)cc1C)C(F)(F)C(F)(F)C(F)(F)F"]
["194273499","C=C[Si](Cl)(Cl)c1c(F)c(F)c(F)c(F)c1F.CCO[Si](Cl)(C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["54985192","CCOC(=O)/C=C/C=C(\\C)C[C@@H](OC(O)=Nc1ccc(F)cc1F)c1ccc(OCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C)cc1"]
["74293775","O=C(N(c1cn2cc(F)ccc2[nH+]1)[N+]12C=C(F)C=CC1=NC(N=C([O-])C(F)(F)F)=C2I)C(F)(F)F"]
["77099300","CCOC(=O)C(C)=C(C)C(OC)C(OC(O)=Nc1ccc(F)cc1F)c1ccc(OCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C)cc1"]
["163524140","C/C=C(\\C=C(/C)F)n1ncc(-c2onc(-c3ccc(Cl)c(Cl)c3)c2C(=O)OCC)c1C(F)(F)F"]
["43027615","CCOC(=O)/C(C)=C/C[C@H](OC(O)=Nc1ccc(F)cc1F)c1ccc(OCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C)cc1"]
["149660433","CCC(C)(F)C(C=C(C)Cl)=C(C)C1(C)CCN(Cc2cn(-c3ncccc3F)nc2CO)CC1"]
["57179628","C/C(=C\\[C@H](C)[C@@H](OC(O)=Nc1ccc(F)cc1F)c1ccc(OCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C)cc1)C(O)=NO"]
["177692964","CC(Oc1ncc(-c2cc([Si](C)(C)C)n3nnc(I)c3c2)c([Si](C)(C)C)c1F)C(F)(F)F"]
["97872595","CC(O)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1"]
["55036211","NC12C=C3NC4=C5NC3(N)C(=N1)N=C5NC(=N4)N2"]
["184109147","CC(C)C1(N)NC(=Nc2cncnc2)N=C(c2ccccc2)N1"]
["181794114","NN(N(N(N)C1(S)C=C(S)N=N1)N(N)C1(S)C=C(S)N=N1)C1(S)C=C(S)N=N1"]
["181366985","BrN1CN=C2NC=CN=C21"]
["175987414","OC1=Nc2cncnc2NC12COC2"]
["120457978","NC1(C2=N/C(=C3\\C=CC=N3)NO2)CCCCCC1"]
["183877613","CCN(CC)C1=NC(N)(c2ccccc2)N=C2NC=CN=C21"]
["145047525","COC1=C(Br)C=C/C(=C2\\N=C(CN)ON2)C1=O"]
["99835091","O=C1C=C/C(=C2/NC(c3ccc(Cl)c(Cl)c3)=N/C(=C3\\C=CC(=O)C=C3O)N2)C(O)=C1"]
["50038437","CC1=c2ccccc2=NC(C)(C)N1"]
["62541213","OC1=NC2=NC=CNC2=NC12CCCC2"]
["81582610","CC(C)CC(N)CN=C1NC(=C2C=CC(=O)C=C2O)N=C2C=CC=CC21"]
["197762043","[B+]=C1[CH-]C(=[B+])C2=C([CH-]1)C1=C(N(C3=[C-][C-]4C(=[C-]C3=[B+])OC3=C([CH-]C(=[B+])[CH-]C3=[B+])C43C4=C(C(=[B+])[CH-]C(=[B+])[CH-]4)C4=C3CC(=[B+])[CH-]C4=[B+])[c-]3c(=[B+])[cH-][c-]4[c-](c3=[B+])C(C)(C)c3c-4c(=[B+])c(=[B+])c(=[B+])c3=[B+])C(=[B+])C[C-](C)[C-]1O2"]
["78701648","COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(SC)c(-c6ccc(N7CCOCC7)cc6)cc5c3O2)-c2ccc(SC(F)(F)F)cc2C42CC(C)(C)CC(C)(C)C2)cc1"]
["172547716","CCCN=C(O)Nc1cccc(S(=O)(=O)Nc2cccc([C@@H](CC(=O)O)N=C(O)Nc3ccc(NC(O)=NCCOCCOCCOCCC(O)=N[C@@H](CC(=O)O)C(=O)N4CCC[C@H]4C(O)=N[C@@H](C(=O)N=S(C)(=O)Cc4cc5cc(c4)O[C@@H](C)CCOc4cc(F)ccc4-c4nc(ncc4F)N5)C(C)C)cc3)c2)c1"]
["169684542","CCCN=C(O)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)N=C(O)Nc3ccc(NC(O)=NCCOCCOCCOCCC(O)=NC(CC(=O)O)C(=O)N4CCCC4C(O)=NC(C(=O)N=S(C)(=O)Cc4cc5cc(c4)OC(C)CCOc4cc(F)ccc4-c4nc(ncc4F)N5)C(C)C)cc3)c2)c1"]
["174103224","[B+]=C1[C-]=C2C3=C(O[C-]2C(=[B+])C1=[B+])C(=[B+])[CH-]C(=[B+])C3=C([N-]C)[N-]C([N-]C[C-]1C(=[B+])C(=[B+])[C-](c2ccc3c(c2)=C2[CH-][CH-]C[CH-][C-]2[CH-][C-]=3)C(=[B+])C1=[B+])=c1c(=[B+])c(=[B+])c(=[B+])c(=[B+])c1=[B+]"]
["179178253","[B+]=C1C=C=C2c3ccc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5cc(I)ccc5-6)c4)cc3C(C)(C)[C-]2C1"]
["169684898","CCCN=C(O)Nc1cccc(S(=O)(=O)Nc2cccc([C@@H](CC(=O)O)N=C(O)Nc3ccc(NC(O)=NCCOCCOCCOCCC(O)=N[C@@H](CC(=O)O)C(=O)N4CCC[C@H]4C(O)=N[C@H](C(=O)N=S(C)(=O)Cc4cc5cc(c4)O[C@@H](C)CCOc4cc(F)ccc4-c4nc(ncc4F)N5)C(C)C)cc3)c2)c1"]
["174168622","[B+]=c1c(=[B+])c(=[B+])c(=c2ccc3c(c2)o[c-]2[cH-][cH-][cH-]c(=c4[cH-][cH-][c-]5[cH-]cc6c(=c7c(=[B+])c(=[B+])c(=[B+])c(=[B+])c7=[B+])ccc7[cH-][cH-]c4c5c76)c32)c(=[B+])c1=[B+]"]
["197762053","[B+]=C1[C-]=C2[C-](C(=[B+])[CH-]1)C1=C(CC(=[B+])[CH-]C1=[B+])C21C2=C(OC3=C1C(=[B+])[C-](N([C-]1C(=[B+])[CH-][C-]4C(=C5C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]5C4(C)C)C1=[B+])[c-]1c(=[B+])[cH-][c-]4c5cc(=[B+])[cH-]c(=[B+])[c-]-5o[c-]4c1=[B+])C(=[B+])[CH-]3)C(=[B+])[CH-]C(=[B+])[CH-]2"]
["178387487","CC1(C)C2=[O+]C[C@H](I)N2N[N+]2=ICO[C-]21"]
["174355100","[B+]=C1[CH-]C(=[B+])C2=C([CH-]1)C1(C3=C=C(Br)C[CH-][C-]3C3=C1C(=[B+])c1c(c(=[B+])c(=[B+])c(=[B+])c1=[B+])[C-]3O)C1=C(O2)[C-](O)[CH-]C(=[B+])[CH-]1"]
["178229286","COCC(CN1CCOC2=C1C(C)=C1CCN(C(=O)OC(C)(C)C)CCC1(C)C2)Oc1ccc(F)cc1"]
["172612296","O=C1CCCC[C@@]12CCCc1c(-c3nc([O-])c4c(n3)[C@@]3(CCOC3)OCCC4)noc12.O=S(O)C(F)(F)F"]
["151658184","CCC[C@@]1(C2CCN(C(=O)CC(C)(C)C)CC2)N=C(O)N(C[C@@H]2CCCO2)C1=O"]
["161049015","CC1(C)CCc2sc(N=C(O)CN3CCOCC3=O)nc21"]
["163202092","O=C1CCOCC12CCS(=O)(=O)C2"]
["181749021","[N-]=[N+]=Nc1ccc2c(n1)N=C(O)C21CCOCC1"]
["95206830","CC1(c2noc(C3(CN)CCOCC3)n2)CCCCO1"]
["176090524","O=C1N=C(O)CCC1c1ccc(CN2CCC(n3cc(N=C(O)c4cnn5ccc(N6CCOCC6)nc45)c(C(F)F)n3)CC2)cc1"]
["100140783","O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2c3c(oc2c1)C1(CCOC1)NCC3"]
["11848254","CC(=O)c1[nH]c(C)c(-c2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)c1C"]
["91646764","O=C1CCCC12CCCC=C2CI"]
["19684357","CC1(C)CC(=O)c2cnc3c(c(O)nc(=O)n3C[C@H]3CCCO3)c2C1"]
["31930544","O=c1oc2c(c(O)c1Cc1ccc(CO)s1)CCCCCC2"]
["101224286","C[C]1C=C=C(P(=O)(C2=C=C=C(C)C(C)=C2)C2=C=CC(C)C(C)=C2)C=C1C.[Sb]"]
["69613627","CC(C)(C)C(=O)[C-]=C(O)C(C)(C)C.CC1=CC(c2nc3cc(C)ccc3cc2C)=C=CC1C.[Ir]"]
["81095115","CC1=CC=C(F)C2C1=NC=C1C(=O)ON=C12"]
["173177940","[B+]=C1C=C=C2OC3C=C(C)C(=[B+])C=C3C(C3=CC[C-](O)C=C=C3C)[C-]2C1"]
["42454509","C=[C-]CC1=C(C)C=C=CC1C.[Y]"]
["99737338","[B+]=C1[CH-]C(N=O)=C=CC1C"]
["MCULE-1325012306","CC1=CC(=O)OC1OC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1"]
["179516920","CC1=C=CC(C)C=[C-]1.[CH-]=N.[U+2]"]
["173101801","CC1=CC2=C(C=CC1C)OCC2"]
["86784911","Cc1cc(N2CC(C)C(C(=O)O)C2)ccc1C(N)=O"]
["99083189","Cc1cc(Br)cc(C)c1OC(=O)C1CC1c1ccccc1"]
["195950976","[CH2-]OC1=C=CCC(C2(C(O)=NC3[C-]=CC=NC([S+](=O)(O)C4=C=CC(C)I=CC4)=C3)CC2)=C1.[U+2]"]
["168624132","O=C1C2=C(S[SH]=N2)C(=O)C2=C1N=[SH]S2"]
["111204070","Cc1sc(-c2nc(=O)cc(CC(C)C)[nH]2)cc1Br"]
["179352786","O=C1c2cc(I)c(I)cc2C(=O)c2cc(I)c(I)cc21"]
["141654847","Cc1ccc(Br)c(NS(=O)(=O)c2sc(C)nc2C)c1"]
["62689856","CN(C)C1=NC(C)(C)C(=O)S1"]
["61328789","N/C(S)=c1\\nc2c(s1)=C(Cl)C(=O)C(Cl)=C2"]
["119911670","CCc1[nH]c(-c2cc(Br)c(C)s2)nc(=NC)c1I"]
["163126381","CC1=CSC(=CO)C1=O"]
["15516493","Cc1nc(C(O)=Nc2cc(F)cc(S(N)(=O)=O)c2)cs1"]
["16069476","C[C@H]1C[C@H](C)C[NH+]([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1"]
["30651076","O=c1c2cc3cc4c(cc3cc2c2nc3cc(F)ccc3n12)c(=O)n1c2ccc(F)cc2nc41"]
["162293317","O=C1N=C(c2cncs2)N=CC1I"]
["112398500","O=S1(=O)Cc2nc(CCCO)nc(O)c2C1"]
["66667994","Oc1nc(CSc2ccccc2Cl)nc2c1CCCCC2"]
["MCULE-1288442638","O=c1cc(CN2CCC(O)CC2)n(CCCCCO)cc1OCc1nc(O)c2ccccc2n1"]
["48300158","COc1ccc(C(CC(=O)OC(C)C)N=C(O)CCCc2nc(O)c3ccccc3n2)cc1"]
["17732016","COc1ccc(CC(O)=Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)cc1"]
["107579708","CC[C@@H](C)NCc1cc2c(nc1O)CCN(CC)C2"]
["17952246","CCN(CCCO)c1c(O)nc(=O)n(Cc2ccccc2)c1N"]
["94469427","OCCCc1cn(Cc2nc(-c3ccccc3)no2)nn1"]
["52376933","CCc1cc(=O)oc2nc(OCCCCO)nc(O)c12"]
["111220377","Nc1cc(C(=O)N(CCCO)C2CCC2)ccc1F"]
["MCULE-4138271646","OCCCCc1ccnc(F)c1"]
["3924037","COCCOC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3"]
["195756092","[C-]#CC1=CC([O-])N2CC3CNCC([I+]3)C2=C1"]
["183108864","Nc1cc(Cl)ccc1N(C(=O)[O-])C1CCCNC1"]
["78949930","CS(=O)(=O)c1ccc(N=c2nc3c(c[nH]2)C=C(Br)CN3C2CCCC2)nc1"]
["60075845","CCC1CNC(C)CN1c1ccc(C)c(C)c1"]
["88176914","CC(C)C1CNCCN1c1nc[nH]n1"]
["105482972","Cc1ccc(N2C[C@H](C)CNC[C@H](C)C2)c(C)c1"]
["171776887","c1nc2cc3c(c-2co1)CC1CNCC3C1"]
["113207256","CC1=CCCN(C(=O)C(C)C2CNC2)C1"]
["15524005","COc1ccc(CN2C(=O)[NH+](C)C3(CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1"]
["66313699","COc1ccc(CCC(=O)N2CC3CNCC3C2)cc1"]
["148100813","CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(C)C3CNC3)CC2)cc1"]
["82896079","COc1ccc(CN2CCN(C(=O)C3C4CNCC43)CC2=O)cc1"]
["148659536","POp1oo[pH]o1"]
["173492483","O[B]OP"]
["170280712","CN=c1op(Op2oc(=NC)c(=NC)o2)oc1=NC"]
["79121175","o1oo[pH]o1"]
["44271339","OPO.[Ni].o1o[pH]1"]
["174776495","Pp1o[pH]1"]
["173486866","P[B]OP"]
["79272175","[C-]#[N+]CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["173383177","C[B]OP"]
["58266186","ClC(Cl)(Cl)C1O[As]2OC(C(Cl)(Cl)Cl)P1C(C(Cl)(Cl)Cl)O2"]
["174827761","OP1(O)(OP)OO1.[Fe]"]
["194572749","[3H]NOP"]
["54054372","C1CC2CC[NH+]3CCC4CCC1C2C43"]
["108911244","C1=C[C@H]2C[C@H]1[C@@H]1[C@@H]3CC[C@H](C3)[C@H]12"]
["187647373","CCC1(CO)C2CCC3CCC1C32"]
["181999567","[N-]=[N+]=NC1CC2CC[NH+]1CC2"]
["70614030","CCOc1ccccc1C[NH+]1CC[NH+]2CCCC2C1C1CCCCC1"]
["75646480","[O-][NH+]1CCC2CCNC21"]
["8906483","O=C1C[C@@H]2CC[C@H]3CC[C@@H]([C@H]32)[C@@]12C[C@@H]1CC[C@H]3CC[C@H]2[C@H]31"]
["180550536","C1CCC(C2C3CCC(C3)C2C2CCCC2)C1"]
["112566469","CC(C)CC(N)C1C2C3CCC(C3)C12"]
["184252113","C1CCC(C2CCC(C3C4CCCCC43)CC2)C1"]
["165832967","O=C1[C@@H]2CC[C@H]3C[C@@H]2CC[C@@H]13"]
["77007212","CN1NC2CCC3CCC4CCC(N1)C2C34"]
["101699788","CC(=O)C=C(C)O[Si](OC(C)=CC(C)=O)=[O+]C(C)=CC(C)=O.[Cl-]"]
["162478094","COC(C)=CC(O)=CC(C)=O"]
["172081571","CC(=O)/C=C(\\O)C(F)(F)F.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1"]
["170054297","CCC(C)/C(=C/C(C)=O)Sc1cc(OC)ccc1C"]
["43483320","COC(=O)c1cscc1N.[Cl-]"]
["61986861","CON(C)C(=O)/C=C(\\C)O"]
["147569522","COc1cc(/C=C/C(=O)N2CC(Nc3ncccn3)C2)cc(OC)c1OC"]
["171641239","C=C(CC(=O)OCCOCCOCCOC)C(=O)OCCOCCOC"]
["25681678","CCOC(=O)C=C(C)CP(=O)(O)O"]
["99693174","CC(=O)O[Si](C)[O+]=[Si-]"]
["167121296","C/C(=C/C(=O)O)C(=O)O.C/C(=C/C(=O)O)C(=O)O.[Ni]"]
["166402918","C/C(=C\\C(=O)O)[C@@H]1CN(I)CCO1"]
["48261664","IC1NC(I)C12C(I)C1[CH-]N([CH-]1)C2I.[V].[V]"]
["76047239","CCC1C#[N+]N(CC)[CH-]1"]
["184972603","NNC1NC1NI"]
["164307056","Cl.NC12C3C4C1C1C2C3C41Cl"]
["180761052","CN1[I+]C2NC2C1[C-]([O-])C(C)(C)C"]
["195873555","CNC1NC(NC)[I-]C2(CC2)C(I)N1"]
["195478038","C/C=C/C(CCC)[C@@]1(C)N[C@@H]1I"]
["81925784","C=C1C2[C@@H](I)[C@]12I"]
["163589910","C[C@@H]1CNC[C@H](I)N1"]
["161817771","C#CC1NC1C#C"]
["184464587","I[C@H]1NI2N1C21CCCC1"]
["169997105","CN1CC(I)CNS1(=O)=O"]
["78724425","C#CCN(CCC[SiH3])CCC[SiH]=O"]
["142064889","C#CCN(CC#C)C(=O)CCn1c(C)csc1=O"]
["6965458","C#CCOC(=O)C(F)(F)F"]
["91903105","C#CCN(CCC)c1cc(C(=O)O)cc(CCC)n1"]
["87836854","CCN(CC)CCCCN(CC#N)CC(C)C(=O)O"]
["114175008","C#CCN(C)c1ccc(C(=O)O)c(Br)c1"]
["87312547","C#CCN(C)C(=O)C1OCCC1C"]
["106461943","C#CCN(CCC1=CCCCC1)C[C@H](C)C(=O)O"]
["91931855","C#CCN(C)C(CC)CSC"]
["144017332","C#CCN(CC#C)C(=O)c1cccc(C)c1C"]
["137724778","C#CCN(CCCCCOC)C1CCCC1"]
["21465715","C#CCN(Cc1ccc(C)cc1)C[C@@H](O)COCc1ccco1"]
["174423625","[B]=BB(C(=O)O)C(C(=O)O)C(C(=O)O)C(=O)O"]
["54205844","CC[C@@H](N)[C@H](CC)C(=O)O"]
["160134209","Br.CC(=O)O.F"]
["105095105","CN(C)C[C@H](C(=O)O)c1ccc(Br)s1"]
["107523355","C[C@H](C(=O)O)[C@H]1CCCN1C"]
["124851150","CCC(C)N=C(O)CCC1CCN(C(C)=O)CC1"]
["79241825","C=CCC(C[Si](C)(C)C)C(=O)O"]
["149924646","CSC(=O)CC(C)C(=O)O"]
["56792748","N=C(O)CC(S)C(=O)O"]
["95789015","CC(N[C@H]1CC[C@H](C)CC1)C(=O)O"]
["181929669","O=C(Cl)CCC(CCl)C(=O)O"]
["111615856","COCC(NOC)C(=O)O"]
["174614100","[B+]C([B+])(C)C1C=C(c2ccc(C3=CNC([S-])C=C3)cc2)N(C2C=CC=CC2Cl)[N-]1"]
["184447744","[B+]=C1C(C)=NOC1=NS([O-])(O)c1ccc(-c2ccc(C)cc2)s1"]
["MCULE-2451619685","CCn1nccc1-c1ccc(OC)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1"]
["195643175","CN1N=CC=CC1C1CN(C(O)OC(C)(C)C)C1"]
["173977686","[B+]C([B+])([O-])C1=C[N-]C(c2ccc(Cl)c(OC)c2)C=C1"]
["MCULE-4574265962","Cc1ccc(-c2c(C(C)(C)C)nn(C3CCC3)c2Cl)cc1"]
["75333065","C=C1NC(=N)C=CN1C1C=C(CCP(=C)(C)C)[C@@H](O)[C@H]1O"]
["196842935","Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=N)n(C)c3cnc(Cl)nc32)cc1"]
["178316558","COc1cc(OC)c(C(=O)O)cc1CC1=CC=CC(Cl)C1F"]
["173051920","CC.CC1C=CC(C2=CNC(C3=CNC(C)C=C3)N=C2)=CN1"]
["30794075","C1CC2CC2C1.CCC1(c2cc(OC)c(C)cc2OC)CSC(=NC(=O)c2c(C)c3cc(C)ccc3n2CC(=O)OC)N1"]
["30329152","CN1C=CN2C3C=CC=CC3CN3CC=CC3C2C1.O=C(O)/C=C\\C(=O)O"]
["46351280","N[C@@H]1CC2=CNC=C3C=COCC1=C32"]
["163109226","Nc1cc(Br)cc2c1COC[C@H]2N"]
["162505151","N=C(O)c1ccc2c(c1)OCC[C@@H]2N"]
["107483776","N[C@H]1Cc2ccsc2-c2onc(C(=O)O)c21"]
["47167864","N[C@@H]1CCCc2cc3c(nc21)[C@H](N)CCC3"]
["103834888","Cc1cc(C)c2c(c1)OC1(CCCC1)C[C@H]2N"]
["197300697","Cc1cc(C2=CC(N)CNC2)ccc1F"]
["170055124","CC1=CC(N)CC(C)N1"]
["60018189","C1=CC2=C3NCCC3CCC2=C1"]
["75438417","[CH2]NCC1=CCOC=C1"]
["182107394","[N-]=[N+]=Nc1ccc(C2=CCOC=C2)cc1"]
["105975720","N[C@@H]1C[C@@H](c2ccc(Cl)s2)OC1=O"]
["32921305","C[C@@]12[C@H]3[C@H]4CC[C@@H]1N1N4CN4[C@H]3CC[C@H]2[N+]41C.F[B-](F)(F)F"]
["112762994","CSC1CCC(NC2CCC(C)(C)C2)CC1"]
["90194921","CC1(F)CCC(C2(N)CC2)CC1"]
["111107627","CC(C)NCC1CCC1N1CC(C)(C)OC(C)(C)C1"]
["156307003","CC1CN(CCF)CC1(C)CN"]
["162850218","CON=C(O)N1CC(C)(F)C1"]
["162416804","Cc1nnc(S)n1C1CCC1(C)C"]
["78811484","COc1c(N2CC3CCCC3(N)C2)c(F)cc2c(=O)c(C)cn([C@@H]3C[C@@H]3F)c12"]
["42357323","CONC1C=NCC12CN(C)C2"]
["62016626","CCCN1CCC[C@@H]1C(O)=NC12C3C4C1C1C2C3C41C"]
["115028152","CC1(C)CCCCC1N=c1[nH]c(Cl)ncc1N"]
["197347140","CC1(C)CC1(N)CC1CC1"]
["91084732","ClC(Cl)=C(Cl)C(Cl)=C(Cl)SCCCSC(Cl)=C(Cl)C(Cl)=C(Cl)Cl"]
["47382805","C=C(SCCCSC(=O)c1ccccc1)c1ccccc1"]
["167223862","C=CC/C=C(\\[Se-])SCCCC"]
["91177690","CCCC(C(=O)Cl)=C(Cl)SCC"]
["150489368","COCC(O)Cl"]
["24876653","CC([O])=C(Cl)Cl"]
["59349773","CC(=O)SCCC[Si](C)(C)C"]
["167336302","N/C(Cl)=C(/C(Cl)=C(Cl)Cl)S(N)(=O)=O"]
["191392265","C=COCCOC(=O)CCSC(=O)CCC(=O)OCCOC=C"]
["9299916","O=C([O-])C(=C(Cl)Cl)C(Cl)=C(Cl)Cl"]
["174281414","CCCC[N+](CCCC)(CCCC)CCCC.ClC(Cl)=C(Cl)Cl"]
["172873678","CCC(=O)SCCCCCC(C)(F)F"]
["171797825","CC1CCC(N=CC2CNC(C)NC2)NC1"]
["44907108","CCCC1CN(CCC2CCC(C)CC2)C(C)CN1"]
["159113001","C[C@H]1CC[C@@H](N2CC=CC2)CN1"]
["157918515","C/C=C/C(=O)N1C[C@H]2CC[C@H]1CN2"]
["162384181","CC1CNC(C(C(C)C)C(C)C)SC1"]
["42201756","CC1CNCC(C(=O)N(C)CCN(C)C)C1"]
["198598863","C=C1C(=O)O/C(=C/C)[C@@](C)(O)[C@H](O)[C@@H](C)NC[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)CC[C@H]2O)[C@@H](C)[C@@H]1O[C@H]1C[C@@](C)(OC)C(CO)[C@H](C)O1"]
["158000575","C[C@H]1C[C@@H](N=C(O)OC2CCC2)CN1"]
["157859227","CC1CN([C@H]2[C@H](C)NCC[C@@H]2C)C1"]
["89636304","C=CCN1CC(C)CNC(CCC(=O)O)C1"]
["87523558","CC1CCC(N(C)C2CNC(C)(C)C2)CC1"]
["93176057","CC1CCC(CCN=c2ccc(=N)[nH][nH]2)CC1"]
["179599119","C[C-](O)N=ISSI"]
["110672175","Cc1nc(C)c(C(O)=N[C@H](C)CC2CCCCC2)o1"]
["74540420","CN=C(O)C(N)CC1CC1.Cl"]
["180269409","C[C-](O)N=ICC(C)(C)C"]
["109374211","CC[C@@H](C)N=C(O)/C=C\\C(O)=N[C@@H](C)CC"]
["49548778","[2H]C(C)SSI"]
["195820018","CN=CCI=[N+](C)[C-](C)O"]
["59448374","CC(=N\\[O-])/C(C)=N/[O-].CC(=N\\[O-])/C(C)=N/[O-].[Cu+2]"]
["187685647","C/C=C(\\N=C/[C@@H](C)SI)OCCC(C)C"]
["174345672","CS/C=N\\N=C=C(C)C"]
["59165393","CC(N=O)=C(C)N[O-].[Co]"]
["53225067","CC(C)=C(C)[C-](C)O.[Y]"]
["163924339","S=C1SC2(CCCC2)C(=S)C12CCCC2"]
["85779796","Cc1cccc(CN(C)C2(CN)CCCCCCC2)n1"]
["93917942","COC(=O)c1nc(C2(c3ccccc3)CCCC2)sc1C"]
["171719418","C[C@@H](NC1=CC(=O)C2(CCCC2)C(=O)N1)c1ccccc1F"]
["93105471","COC1(C(N)Cc2ccc(Br)s2)CCCCCC1"]
["91581959","N=C(O)CC1(N(Cc2ccccc2)Cc2ccccc2)CCCCC1"]
["107509631","O=C1CCSC2(CCCCCC2)C1"]
["33277425","O=C1CC(=O)C2(CCCCC2)C(=O)C12CCCCC2"]
["85016287","Nc1cccc(C2=NC(=O)C3(CCCC3)C(O)=N2)c1"]
["182771094","[N-]=[N+]=NC1(S)CC(=O)C2(CCCCC2)C1=O"]
["164067436","OC1(C2SCCCS2)CCC(O)(C2SCCCS2)CC1"]
["171113539","CC1(C)OB(C(F)=C2CCCC23CCN=C3O)OC1(C)C"]
["79401663","C#CC(C#C)(C#C)CCO[SiH2][SiH2]OCC(C#C)(C#C)C#C"]
["159401072","C#CC(C)(C)C.[Co].[Co]"]
["95917263","C#CC(C)(C)Oc1ncnc(NCC)c1CC"]
["78657780","COC(CO[SiH2]CCC(N)(N)N)(OC)OC"]
["183965568","C#CC(C=C)(CCC)OC"]
["114915189","C#CCC(O)=NC(C)(C)C#C"]
["184740069","C#CC(CCn1cnc2c(N)nc(F)nc21)(COC)OC"]
["172785816","C#CC(C#C)(Cc1c(CC(C#C)(C#C)[SiH2]C)c(CC(C#C)(C#C)[SiH2]C)c(CC(C#C)(C#C)[SiH2]C)c(CC(C#C)(C#C)[SiH2]C)c1CC(C#C)(C#C)[SiH2]C)[SiH2]C"]
["79507024","C#CC(Cl)(CC=C)CC=C"]
["182113954","C#CCC(Br)(C#C)N=[N+]=[N-]"]
["166762201","CC(C)(CCOC(C)(C)C)CNC(C)(I)I"]
["175533666","C#CC(C)(C)N=CO.COC"]
["161897766","CCOC(C[SiH2]CCCN1CCC[Si]1(OCC)OCC)OCC.COC(OC)[SiH2]CCCN1CCC[Si]1(OC)OC"]
["101718159","CCOC(C#CC1C=CC=CN1C(=O)OC)OCC"]
["126175014","Cc1cnn(CCC(=O)Oc2cc(C(=O)N3CCSCC3)ccc2C)c1"]
["184388662","CCN(CCCOCC1=CC(O)NC=C1)C1CCCC(COC(O)NC(N)N)=C1F"]
["190583590","CCCCc1nc2c(c(=N)[nH]1)CC=C2CCCCCN1CCCC1"]
["66004544","CCC[Si]1(OCC)CCCOCC(CN2CCN(C)CC2)O1"]
["167126528","CCOC(OC)C1CCCN1c1cccc(N)c1"]
["140854697","CCOC(=O)C1CCN(C(=O)C(C)N2C(C)CCC2C)CC1"]
["5576785","CCO[C@@H](C)C(=O)N(CC)Cc1cnn(C)c1"]
["137169992","CCOC(CCN=c1nc(COC)[nH]s1)C1CCCC1"]
["129470598","COC(=O)C1CCN(CCCCCn2cc(C)cn2)CC1"]
["169372971","CCOC(CN(CCCO)CC(=N)O)OCC"]
["102884688","[O]N1ON=C2NON=C21"]
["44479655","CS(=O)(=O)NCCNC1(O)NON=C1C(=N)N"]
["149634945","CCCC1=NONC1=C(C)N=O"]
["101943595","CC1=NOC(=O)C1SI"]
["153588874","CC1=NC2=NONC2=NC(c2ccccc2)=C1"]
["58216928","C1=Cn2nccc2NS1"]
["66192323","CC[Si]1(CC)NC(C)=NO1"]
["91296502","Cc1ccc(C2=NC(=O)CON2)s1"]
["65933575","Cc1cc2nc(=O)n3nc(OC(=O)O)[nH]c3c2cc1C"]
["150404135","CC1=NONC1=C1C(=O)c2cc(C)c(Cl)cc2N=C1O"]
["163110804","CC1=NC(=C2NON=C2C(=O)O)N=C1"]
["120511644","O=C(O)C1=NONC1=C1N=c2ccccc2=N1"]
["83056781","N1[Si]#S[Si-]=S=[Si+]1"]
["76143016","O=C1[CH]SNSN1"]
["100172110","C1NSNO1"]
["173536274","[N-]=S1PS1"]
["7947912","O=C(CCN1C(=O)CCC1=O)Oc1ccc(C2SCCS2)cc1"]
["83059524","N1[Si]#SN[Si]#S1"]
["34026324","O=c1c(I)cn2cc(I)c(=O)n12"]
["183324141","[N-]=[N+]=NCC1NCCC1=O"]
["83056789","N1[Si]=S=[Si+]N[Si-]1"]
["46156782","N1[Si][O+]=[Si-]1"]
["174640300","CC(=O)Oc1cc(=O)[nH]s1"]
["176553943","Nc1ccc(=IN(CCCN(CCCCN(CCCNC(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)[cH-]c1"]
["MCULE-9647334533","CCCCN(CCC)c1ncnc2c1cc(C(=O)NCCCCc1ccccc1)n2CC"]
["MCULE-8390448711","CCCCN(CCCC)C(=O)Cc1nonc1OCC(O)=Nc1c(C)n(C)n(-c2ccccc2)c1=O"]
["4774573","CC[C@@H](C)Oc1cccc(NC(O)=NCCCO)c1"]
["77231629","CCCCN(C(=O)CNc1ccc(F)cc1Cl)C1C(O)=NC(=O)N(Cc2ccccc2)C1N"]
["140462860","CN(C)C(=O)c1cc(N=C(O)CCCNC(=O)c2cccs2)ccc1F"]
["124534731","N=C(O)NCCCCC(=O)Oc1cccc2[nH]ccc12"]
["MCULE-4262175684","CCCCN(CCCC)C(=O)c1cc2c(OC)ccc(OC)c2n1C"]
["45988208","CCc1cccc(CC)c1N(CCCCOC)C(=O)CCl"]
["148826890","C[C@H](CN(CCCCO)C(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]"]
["25858141","CCCCCN(CCCCC)C(=O)CNC(=O)c1ccc2cccc(O)c2n1"]
["132117513","CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cccn1C1CC1"]
["185329299","FC1=C(F)C2=C(C1)C(F)=C1C(F)=C(F)C(F)=C12"]
["49931157","[B]=C1[CH-]C(F)=C(SC)C(F)=C1F"]
["147711660","FC1=C(F)C(F)=C(F)CC1"]
["173405942","O=C1C2=C(C(=O)N1c1ccc(F)cc1F)C(F)=C(F)C(F)=C(F)C2"]
["91292179","C[O+]=C1C(F)=C(F)CC(F)=C1F"]
["166773612","CC1=C(\\F)CC/C(F)=C(F)/C(F)=C\\1F"]
["178939006","NSN=C1C=C(F)C(F)=C(Br)C1"]
["97466680","F/C1=C(F)/C(F)=C(F)\\C(F)=C(\\F)C(=[F+])C1"]
["53751771","FC1=CCC(F)=C(F)C1"]
["186676760","O=S1(=O)Cc2ccc(F)cc2CN1"]
["185527386","FC(F)=C1CC(F)=C(F)CC1=C(F)F"]
["51585587","Fc1cc(Br)cc2c1CNC2"]
["166396655","[C+]1CC=C/C1=C1\\[C-]CC=C1.[Y].[Y]"]
["162111668","Clc1ncc(OC2CCC2)cn1"]
["55460860","Cc1cccc(N)c1NS(=O)(=O)N1CCCCCC1"]
["79085181","[C-]1=C2CC[CH+]C=C2C=CC1"]
["97444413","C1=C(C2CCCCC2)[C]2C=CC[C-]=C2C=1C1CCCCC1"]
["184542991","NC(O)CC1=CCCC=C1"]
["24981934","CC(C)=C1CC=CC=C1Cl"]
["180513377","Cc1nc2cc3c(cc2c(=O)o1)CCC=C3"]
["74985580","FC(F)(F)C1=[C+]C=[C-]C[CH]1"]
["78240673","CC1=[C]CC=C1.CC1=[C]CC=C1.[Fe]"]
["45812043","CC(C)C(O)(c1cncnc1)C(C)C"]
["175761737","CC1=N/C=C\\CC/C=C\\1"]
["57548491","C1=CSB(N(B2SC=CS2)B2SC=CS2)S1"]
["185873716","C1=CS[NH2+]O1"]
["84052531","CN(C)B(B1SC=CS1)N(C)C"]
["48193860","C1=CSB(N(c2ccccc2)c2ccccc2)S1"]
["175204550","C1#SC=C[N-]1.[Eu].[Zn]"]
["46004578","C1#SC=C[N-]1.[Br-].[Zn+2]"]
["48318735","CCB1OC=CS1"]
["43696343","C1#SC=C[N-]1.[Li+]"]
["65336727","C1=CSSC=CSS1"]
["50339693","CN(C)C(=O)CCN[N+](C)(C)C"]
["161689754","CN(C)[B]C1=CSB(Cl)S1"]
["84052534","CN(C)B1Sc2ccccc2S1"]
["26185061","BrC(Br)(Br)[C]1C=CC(C(Br)(Br)Br)=C=C1C(Br)(Br)Br"]
["26056164","Br[C]1C=CC(Br)=C=C1Br"]
["75330137","CC1=C(C(Br)(Br)Br)C(C(Br)(Br)Br)=C=C(Br)[C]1Br"]
["60235051","CC(C)(C)[C]1C=CC=[Si]1C(C)(C)C"]
["27093126","BrC(Br)(Br)c1[c]cccc1"]
["74526864","CC(C)(C)C1=C=C2NCCC[C]2C=C1"]
["25335679","Brc1[c]scc1Br"]
["167185038","FC(F)(F)C1=C=C[N-]C=C1.[Li+]"]
["185392164","[N-]=[N+]=C1C=Cc2nc(C(Br)(Br)Br)ccc2C1=O"]
["180116417","BrCc1c#ccnc1"]
["74744996","FC1=C=C(I)C=C[C]1C1CC1"]
["25749154","C[C](C)C1=C=C(C(C)(C)C)C=C1"]
["96668264","C[Si]1(C)S[Si](C)(C)[Si]2(C)S[Si]1(C)S[Si]2(C)C"]
["91498268","C[Si]1(C)O[Si](C)(C)[Si](C)(C)S1"]
["96771188","C[Si@]1(c2ccccc2)S[Si@@](C)(c2ccccc2)S1"]
["78119640","CCN(CC)C(Cl)CCOCC(C)C"]
["97135849","C[Si@]12S[Si@](C)(S[Si@]1(C)c1ccccc1)[Si@@](C)(c1ccccc1)S2"]
["96957862","C[Si]12S[Si]3(C)S[Si](C)(S[Si](C)(S1)[Si]3(C)C)[Si]2(C)C"]
["83990112","C[Si]1(C)S[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C"]
["91214457","CC1CS[Si](C)(O[Si]2(C)CC(C)CS2)C1"]
["163184102","Cc1csc2c(C=O)ccc(OC(F)F)c12"]
["97305676","C[Si]12S[Si](C)(C)[Si](C)([Si](C)(C)S1)[Si](C)(C)S2"]
["97195817","C[Si]1(C)S[Si](c2ccccc2)(c2ccccc2)S[Si]12S[Si](c1ccccc1)(c1ccccc1)S[Si]2(C)C"]
["91627234","CC[Si]1(C)CCCC[Si](C)(CC)S1"]
["101078796","CCCCO[Si]1(C)[SiH](C)[SiH](C)[SiH](C)[SiH]2[SiH](C)[SiH]([SiH](C)C)[Si](OCCCC)([SiH](C)C)[SiH](C)[SiH]21"]
["105788897","CCCCOCC[C@]1(CNC2CC2)C[C@H]2CC[C@@H]1C2"]
["107866605","CCCCOc1cccc2c1[C@@H](CCCl)NCC2"]
["171320887","CCCCOC1CNC(CC)CN1"]
["115197594","CCCNCc1c(F)cccc1N(CCOC)CCOC"]
["191799843","CCCCOC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)c1ccccc1O)C2"]
["26801038","CCCCOB(CC)CC"]
["97109373","CCCCOc1cc(/C=C/[N+](=O)O)ccc1OC"]
["185437320","[CH2-]COCCCC.[Zn]"]
["175093453","C=C(C)OCCCC.C=CC.COc1ccc(CN)cc1"]
["172735291","COCCO[SiH2][SiH](C)Cl"]
["161796489","CCCCOOC[Si]"]
["172139906","[B+]=C1C=C=c2c([n+](C)[c-]3c2=C[N-]C=C3)C1"]
["184993446","[B+]=C1C=C=C(C(C)NCC)[C-](F)C1"]
["168397417","[B+]=C1C=C=C(O)C(=C2[N-][C+](Cc3ccc(OC)cc3)[N-]O2)C1"]
["177044923","CC.[B+]=C1C=C=C2SC=C(C)[C-]2C1"]
["99706880","[B+]=C1C=C=C2C(=C3C=C(Br)C=C[C-]3N2c2ccc(C(C)(C)C)cc2)C1"]
["174108821","[B+]=C1C=C=C2C(=c3c(c(-c4ccccc4)ccc3=C=[N-])C2(C)C)C1"]
["174076704","[B+]=C1C=C=C(P)C(=C2C=C[N-]C(N3CCC(C=P)C3)=C2N=C(O)CCOC)C1"]
["180851676","[B+]=C1C=C=C2Oc3cnc(C)cc3C3(COC(=N)N3)[C-]2C1"]
["178232982","[B+]=C1C=C=C2[N-]C(c3ccc(OC)nc3)=S=C2C1"]
["184963994","[B+]=C1C=C=C(N2CC(OC)C2)[N-]C1"]
["99718754","[B+]=C1C=C=C2N=C(C)[N-]N2C1"]
["99578958","[B+]=C1C=C=C(I)[N-]C1"]
["176055332","C1CC2(COP1)COPOO2"]
["58169499","CC(C)CC1(C)OCC(C)(C)CO1"]
["171965375","C1OOOC12OO2"]
["172972832","CC1(C)COB(c2ccc[se]2)OC1"]
["60431229","C[Se]P1(=[Se])OCC(C)(C)CO1"]
["169668805","OC[C@]12CCCC3(COPOC3)C1OPOC2"]
["25855791","ClC1(Cl)COO1"]
["74682509","COCCOCCOC1OPOCC12COPOC2"]
["174882306","CC1(C)COPOC1.O=P(O)(O)O"]
["188970154","CC1COCC(C)(C)COCC(C)(C)COCC(C)OCC(C)(C)COCC(C)(C)CO1"]
["73858963","C1=CC2(CC1)COC[N]2"]
["91653879","C1CC23CCC12CO3"]
["172544192","C=CC1=Cc2cc[nH]c2C=C/C1=C\\c1[nH]cc2c1C=C/C(=C/c1ccc3nccc-3cc1C=C)N=C2"]
["175141094","C=C/C(=C1/C=Cc2c(-c3ccccc3)ccnc2C1)c1ccccc1"]
["73826796","C=Cc1cc(Cl)c(-c2nc3ccnc(Cl)c3s2)c(Cl)c1"]
["MCULE-5300447158","OC(=Nc1ncccc1-c1c[nH]c2nccc-2c1)c1csnn1"]
["45333248","C=Cc1cnc2c(=O)cc[nH]c2c1"]
["24281851","O.OC1=NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21"]
["111010692","C=CC(O)=Nc1cccc(S(=O)c2cnc3[nH]cc(-c4ccc(-c5ccncc5)nc4)c3n2)c1"]
["29596995","Nc1cc(-c2ccc3n[nH]cc3c2)nc2c(-c3cnc4ccccc4c3)cnn12"]
["172558771","c1cc2cc(-c3ccc4ncncc4c3)c[nH]c-2n1"]
["145552213","C=C1NC(c2ccc(N(C)C)c(OCC(CF)O[Si](C)(C)C(C)(C)C)c2)C=C/C1=C/C(=C\\C)N=CO"]
["139774340","Cc1ncccc1C=C1N=C(c2cccc(Cl)c2)OC1=O"]
["151803549","OC(=NC[C@@H]1N=C(c2ccnc(O)c2)NO1)c1ccc(O)nc1"]
["178470414","CCOCCO[CH-]c1cc(Br)c(C/C(C)=C/c2cc3c(cc2C)CC(C/C(C)=C(Br)/C=C(\\I)COCCOCC)=I3)s1"]
["MCULE-7466242124","CCCCCCCOc1ccc(C(=O)C=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1"]
["124944757","CCOCCOCC(O)=Nc1ccc(=O)n(C)c1"]
["75260846","CCCC(=NOCC)C1=C(O)CC(c2c(C)cc(C)c(COCC)c2C)CC1=O"]
["MCULE-2483627982","CCOCCCN1COc2c(cc3c(c2C)OC(=Cc2cc(Br)ccc2OC)C3=O)C1"]
["8047742","CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1cccs1"]
["152659433","CCOc1ccccc1NC(=O)C(=O)N/N=C\\c1ccccc1OCC(=O)Nc1ccc(Br)cc1C"]
["CSSS20766272063","Cc1cc(CN(C)C(=O)OCCOCCOCCF)sc1Br"]
["128603448","CCOCCOCc1cccc(NC(=O)C(=O)NC2CC23CCCCC3)c1C"]
["MCULE-3369431304","CCOCCOC(=O)COc1cn(CC)c(CNc2ccc(Cl)c(C)c2)cc1=O"]
["114547782","NCc1cc2c(nc1Oc1cc(Cl)c(Br)cc1Cl)CCC2"]
["MCULE-5846762562","CCCCCCOc1cn(CCCOCC)c(CNc2ccc(Br)c(C)c2)cc1=O"]
["174086779","CN1C2NC3NC(NC4[NH2+]C(NC5NC(NC1C1SC=CC12)C1C=CSC51)C1C=CSC41)C1C=CSC31"]
["53485030","N=C(O)C1C2C=CSC21"]
["77709467","CN(CC1N=C(O)C2SC=CC2N1)C(=O)Cc1coc2cc3c(cc12)CCC3"]
["1609653","C[C@H]1C[C@H]2SC=C[C@@H]2C[NH2+]1"]
["180799044","CC(=O)C1=CCCC=C1C1C2C=CSC21"]
["110773450","CCOC(=O)[C@@H]1[C@@H]2C=CS[C@H]21"]
["161349167","CCCN1C(=O)N(C2CC2)C2C1C=CS[C@H]2C"]
["77265689","Cc1cc(CSC2NC(C3CC3)NC3C2C(O)=NC(=O)N3C2CC2)on1"]
["174084338","C1=CC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3SC=CC63)C3SC=CC53)C3SC=CC43)C2S1.I"]
["179431654","CNC(C)C1SC=CC1C"]
["112305440","Cc1cc(C(=O)N2CCC[C@H]2CO)cc(Cl)n1"]
["186892341","CC1C(C)C2C=CSC2C1C"]
["190279410","CC1=C2C(C)C(C)C3=C(C)C4=[N+]5C(C(C)C4C)C4C(C)C(C)C6=[N+]4C5(N23)[N+]2=C1C(C)C(C)C2=C6C"]
["1887588","CS[C@]1(CO)[C@@H]2C=C[C@H]1C(=O)C2"]
["77558866","COc1ccccc1CN=C(O)C1NNNC1Nc1ccccc1"]
["95181736","CC1CCCC(CO)(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1"]
["46864246","CC1=NC(Cl)=CC2=NC(C)C(C)N12.O=P(=O)O"]
["96713209","C/C=C(/C)C(=O)O[C@@H]1C[C@H]2C(C)=C[C@H]3OC(=O)[C@@H](C)[C@H]3C[C@H]2[C@]1(C)O"]
["45155939","C[C@H]1OC(C)(C)O[C@H]1Cc1cnc2c(Cl)nccn12"]
["32457879","C[C@H]1C(Cl)=C[C@H]2C[C@@H]1C[C@@]2(C)CO"]
["74643647","CC1=CC(C)N(CCO)C(=S)N1CCO.Cl"]
["155866361","Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC(C)C"]
["150894154","CC1=C[C@@]2(O)O[C@]3(CC2=C(C)C)[C@@H]1CC[C@@H]3C"]
["178426003","CC1=C(C)C(N(C)N=O)C(C)C(C)=C1O"]
["55674403","C[C-]1O[OH+][C-](C)[OH+]O1"]
["46114298","CC(=O)O.C[c-]1oo1.[Pd]"]
["179561188","C#N.C[C-]1CC1.[U]"]
["98170710","C[C-]1C2C1S2(C)C"]
["109522353","C[C-]1[C@@H](C)[C@@H](C)[C@@H](C)[C@H]1C"]
["69647096","C[C-]1COO1.[CH3-].[Y]"]
["189833888","C[C-]1CC1"]
["167450771","C[C-]1C(C)C(C)C(C)C1C.[K+]"]
["178751569","C[C-]1[CH-]O[I+]CO1"]
["200516750","CC(=O)[O-].C[c-]1oo1.[Ca+2]"]
["192145353","CC1=C(F)O[C-](C)O1.FC(F)=C(F)F.[Y]"]
["74484558","C1CO1.CCOCC"]
["195600230","N=IOCCCCOC(CC(=O)OCCOC(=O)C(=N)N)C(O)OCCOC(=O)C(=N)N"]
["152635721","CCCCCOc1ccc(N=C(O)C(=O)NC(C)C)cc1"]
["175170372","CS(=O)(=O)c1ccc([C@H](O)CC(=O)OCCN)cc1"]
["26461034","CCOC(=O)CCCOc1cc(OCC)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)OCC)c1"]
["183230971","CC(C)CCCCCOC(=O)CSC(=S)[S-]"]
["32860547","CCOC(=O)C[C@H](N)c1cccnc1"]
["157615827","CCOC(=O)CCN(c1ccccn1)[C@H](c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)[C@@H](O)[C@H](O)[C@H](O)CO"]
["174419820","CO[SiH](OC)C(C)=C(C)C(=O)OCCCO"]
["100479384","CCCCCCOC(=O)CCCC(=O)OCCOC"]
["170660171","CCCCOC(=O)CC(C)[O+]=[N-]"]
["69357669","CCCCCCCCOc1ccc(C(CC(=O)OC)c2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)cc1"]
["62073994","CCCCOC(=O)COc1ccccc1CC(N)CC"]
["179169214","CI=c1c2c(n(C)c3c[cH-][cH-][cH-][c-]13)C=C(C1[I+]C[I+]1)N(N1CCCC1)C2N"]
["87697044","Cc1cc2c(cc1C)C(N)C(CN1CCCC1)C(C)(C)O2"]
["151004154","CSc1ncccc1[C@@H]1CCCCN1C(C)C"]
["107483202","N[C@H]1Cc2sccc2[C@@H](N2CCCCC2)C1"]
["50384963","O=C(c1ccc(Cl)cc1)C1CCN(N2CCCC2)CC1"]
["120305413","Cc1cc(C(=O)CCl)c(C)n1CC1CCCN1C"]
["102796169","Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)c(C)c1"]
["52545636","CN=c1ccc(S(=O)(=O)N(C)C2CCCN(C)C2)c[nH]1"]
["32695135","COc1cccc(C2CCCCN2C)c1"]
["52851116","Cl.Cl.N=C(N)N=C(O)c1cc(OCCN2CCCC2)cc(-c2cc(Cl)sc2Cl)c1"]
["23292529","COc1ccc(C2c3c(n(C)c4ccccc34)C(=O)N2CC(=O)N2CCCC2)cc1"]
["68410585","Cc1c(C)[c-](C)c2ccccc12.Cc1c(C)[c-]2[cH-][cH-][cH-]cc2[c-]1C.[Co]"]
["196753040","C=C=NC1=C=C2CC3=C(CC4=C=C([N-][C-]=C)C(=O)[CH-]C(=O)[C-]43)C2C(=O)CC1=O.[W+2].[W+2]"]
["99758784","[B+]=C1[CH-]C2=C=CC=CC2N(CC2OCCC3C[C@@H]32)C1=O"]
["150569091","N#Cc1ccc(C2C3=C(CCC3=O)N(c3cccc(C(F)(F)F)c3)C(=O)N2CC(=O)N2CCN(C3CC3)CC2)cc1"]
["195982231","[B+]=C1[CH-]C(=C=C/C=C/C(O)=NC(=N)N)C=CC1"]
["61364619","N#Cc1cccc(N2C3=C(CCS3)CC3=C2C(=O)CC3)c1"]
["173493737","[B+]=C1[CH-]C2=C=CC=CC2N(CC2OCCC3C[C@H]32)C1=O"]
["178636958","CC(C)C1=C=C2COC(=O)C2[C-]=C1.[Re]"]
["97201893","CCCCC1=C=C2[CH]C(=C1)CCC1=CC=CC(=CC2)[CH-]1.[Li+]"]
["161909767","O=C1CCc2cc3c(cc21)C1CCC=C31"]
["173729044","Cc1cccc(N=C(O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)Cn2nc(C(N)=O)c3cc(N=C(O)Cc4cccc(C#N)c4)ccc32)n1"]
["MCULE-3188846148","COc1ccc(OC)c(NC2=C(c3ccc(OC)c(OC)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1"]
["180367906","CN=CC1CC(=O)c2c(c3c(=O)n(C#N)c(=O)c3c3c(=O)n(C=NC)c(=O)c23)C1=O"]
["196669567","C[N+]12C[N+]([S-](=O)=[OH+])(C1)C2"]
["164108126","CC(C)(CO)C1OCC2(CO1)COC(C(C)(C)CCO)OC2"]
["78944637","COS(=O)(=O)CC[N+]1(C)CCCC1"]
["177590712","Cn1c2c(n(O)c1=O)CSC2"]
["195808609","CC[N+](C)(C)[S-](=O)=[OH+]"]
["175487489","CC(=O)N1CC[N@@+]2(C)CCC1C2"]
["178968368","C[N+]1(O)CC2CC1CS2"]
["179509419","CC1(C)C[N+]1(C)O"]
["171410368","C[N+]1(CCC(=O)[O-])CCCCC1.O"]
["184366805","CC1C2CC[C@H]3C(C)C2CCC13"]
["96579699","O=[S+](=O)[N+]12CC[N+]([S-](=O)=O)(CC1)CC2"]
["26441773","Cc1ccc(C(C)(C)[N+]2(C)CCC(=O)CC2)c(C)c1C"]
["179975157","O=CCCC(=O)[N+](=O)C(=O)CCC(=O)CO"]
["197575336","CC1(C)[C@@H](CS(C)(=O)=O)[C@@H]1C(=O)O"]
["190044900","CN=C(CCC=O)CS(=O)(=O)O"]
["176677549","O=CCCC(ON1C(=O)CCC1=O)C(=O)O"]
["191373812","C=CC(=O)CC(C)CC.CCCCCC=O"]
["57490577","O=CCC(=O)CF"]
["34476866","C=C=C(CCCC=O)C(=O)OC"]
["91269377","CC(O)COC(=O)CCC=O"]
["78594318","O=COCC(S)C(S)C(=O)O"]
["58570157","O=CCCc1cncs1"]
["162326975","CC(C)COC(=O)[CH-]CC(=O)OCC(C)C.[Na+]"]
["43143346","CCOC(=O)C(OCCC=O)P(=O)(OCC)OCC"]
["148831340","[C]#C[Si]1(C)C[Si](C)(C#[C+])C[Si](C)(C#C)C1"]
["161794051","C#CC[N+]1(CC#C)C=CCC1.[Br-]"]
["172516685","C#C[Si](C)(C)OP(=O)(O[Si](C)(C)C#C)O[Si](C)(C)C#C"]
["51781242","C#C[Si](CC)CC"]
["174922213","C#CCC.CC1CCCC[Si]1(C)C.O"]
["79307722","C#CC1CCC(C#C)C1"]
["156841783","C#C[C@H](C)N=C(O)C1CCCC1"]
["171578781","C#CC(C(C(=O)O)[Si](C)(C)C)N1[Si](C)(C)CC[Si]1(C)C"]
["79153493","C#CC1(N2[Si](C)(C)CC[Si]2(C)C)CCCCC1"]
["195274935","C[Si]1(Cl)CCC[Si](Cl)(Cl)C1"]
["42275748","CC1=Nn2c(nc(C)c2C)C1"]
["177699938","C#CC1CC[N+](C)(C)C1.[I-]"]
["179920737","[CH-]=CC=C=C1C=[Xe-2]=CC1=C.[Yb+3]"]
["179894777","[CH-]=CC=C=C1C=C=C2C=Cc3c(-c4ccco4)cc(-c4cc5ccccc5o4)c4c3[C-]2C1C=C4.[U+2]"]
["101177282","[Al].[CH-]=CC=C=C[CH2+].[H]"]
["177127283","C.[CH-]=CC=C=[C-][O-].[Rh+3]"]
["172456316","Cc1[b-]#cccc1.[CH-]=CC=CC.[Ru+2]"]
["96768531","[CH-]=CC=[C]/C(C)=C/C.[Li+]"]
["200245743","C=CC.[CH-]=CC=C=[P-].[Co]"]
["174874580","[CH-]=C/C=C/SC=[CH-].[Y]"]
["90765378","O=Cc1ccccc1C=Cc1ccccc1C#Cc1ccccc1C#Cc1ccccc1C=Cc1ccccc1C=O"]
["175142474","[Ce].[O-][N+]([O-])=C1SC(Br)=CC1=CCl"]
["63643458","[CH-]=CC=O.[Rb+]"]
["194016749","C=C1CC(=O)OC1=O.C=CN=C=O"]
["26772925","SCCC1COOC(CS)COBO1"]
["MCULE-4849899048","CC(C)(C)c1cccc(C2CC2CCS)c1O"]
["MCULE-1757376554","CC(=O)c1ccc(C2C(CCS)C2(F)F)cc1C"]
["56837924","CCN(C)CCNC1CCOC(C)(CC)C1"]
["158023607","O=C1O[C@H](CS)CC1(F)F"]
["MCULE-8188369741","Cc1cc(N)c(N)cc1C1C(CCS)C1(F)F"]
["195641317","[B]CC1COCC2(CC)O[C@@H]12"]
["MCULE-2639598609","Nc1cc(Cl)c(C2C(CCS)C2(F)F)c(Cl)c1"]
["181665621","CC(C)CCC1COSO1"]
["179994670","SCCC1CC=CC1"]
["101270045","SCC1COc2cscc2O1"]
["15807877","OCC[NH2+]C[C@H]1COC2(CCCC2)O1"]
["67177502","Cc1c(C)c(CCP)p(C)c1C"]
["32968954","PCc1ccc(CP)cc1"]
["189888746","Cc1cc(CCCCC(=O)OC(C)C)cc(NC(C)C)c1C"]
["88986968","[C-]#[N+]CCc1ncnc(OC)c1C"]
["89790911","Cc1ncoc1C(=O)N(C)CCc1ccncc1"]
["161349462","CCCCc1nc(C)c(C)c(C)c1C"]
["34333073","Cc1c(Cl)c(CO)c(C)c(Cl)c1CO"]
["170994011","CCOC(=O)c1sc(I)c(Br)c1C"]
["49986830","Cc1c(O)c(CO)c(CO)c(O)c1C(C)C"]
["173526897","CC.CCCCP"]
["44471899","Cc1nn(COCP)nc1C"]
["150000557","CCCc1c(C)c(C)c(C)c(CCC)c1C"]
["174538188","CCNc1c(F)c(F)c(F)c(F)c1SC/C=C/C=C/C=C/N(CC)c1c(F)c(F)c(F)c(F)c1S"]
["91813697","CCNCCN(C)CC1C2CCc3ccccc3C21"]
["66537112","CCNc1c(F)c(F)c2c(F)cc(F)c(F)c2c1F"]
["126655484","CC(C)C1CCC(NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1"]
["74857005","CCNc1c(F)c(F)c(C(=O)C(=O)c2c(F)c(F)c(NCC)c(F)c2F)c(F)c1F"]
["73548698","CC(=O)/C=C/CCSc1c(F)c(F)c(F)c(F)c1F"]
["85551031","CCNc1c(C(=O)N(C)CCOC)cccc1C(F)(F)F"]
["93020419","CCc1nc(CNc2c(F)c(F)c(F)c(F)c2F)cs1"]
["62125789","CCNc1snnc1CSc1ccc(Br)cn1"]
["182906716","CCNc1ccc(SS)cc1"]
["113835924","CCNC(c1ncc[nH]1)c1c(F)ccc(Br)c1F"]
["48614009","C/C=C\\Cc1ncc(C2CCC(C3CCC(c4ccc(CCC)c(F)c4F)CC3)CC2)cn1"]
["185560345","C=CC1(F)C=CC(F)(F)C(F)(F)C1(F)C=C"]
["83975165","C=CC[Si]1(C)C=CC=CC1"]
["175622514","C=C(I)C1=CC=C(F)C(C)C1C=NC"]
["150272974","C=CC12CC(F)(F)C1CC2(N)c1ccccc1F"]
["171212283","COS(=O)(=O)OI(C(C)C)C1(F)C=CC(F)(F)C(F)(F)C1(F)F"]
["149636875","C=CN=[O+]C"]
["84103129","C=CC1(O)CC2C=CC1(C)C2(C)C"]
["98690796","C=CC12CC(C)(F)C(F)(F)C(C)(C(F)(F)C(C)(CF)C1)C2(F)F.F"]
["91165165","C=CC1(C)OC=C(C)O1"]
["57236513","C=CCc1ccc(Nc2ccc(CC=C)cc2)cc1"]
["183511799","CN1C=CC(F)(F)C(F)(F)C1(F)F"]
["73749894","C=C(F)F.FC(F)(F)C1(F)C(C(F)(F)C(F)(F)Br)=CC(F)(F)C(F)(F)C1(F)F"]
["195893411","C=[NH+]C=NN=N[N+](=C)[N-]C"]
["165049715","C=C(C)/C=N\\N=C(C)O"]
["187080585","C=CC(=O)[NH+]([O-])C(C)C"]
["195534637","C=[N+]([N-]C)[NH+]([O-])OC"]
["175557740","C=CN=C(C=C)C(C=C)=NC"]
["178134694","CS1(=O)(O)C=C(Cl)C(Cl)=C1"]
["110923347","C=[N+](C)NC=C([O-])C(F)(F)F"]
["173189916","[CH]/C=C(\\C=C)C=NN(C)c1ccccc1F.[Ni]"]
["178130821","C=CC(=NC)[N+](=C)C(C)C"]
["180200730","C=C/C(C)=C(\\C)I(C)[N+](=C)/C=C(\\C)CC"]
["65482377","C=CC[C+](CC)CCC[C+](CC=C)CC=C"]
["177276782","C=C/C(=C\\N=C/C)C(C)C"]
["189935913","N#CB1CCCC(C=O)C1"]
["89187559","N#CCC(C1CCCCC1)C1CC1"]
["55658467","N#Cc1cccc(CS(=O)(=O)N2CCC(C=O)CC2)c1"]
["89532254","N#Cc1cnn(C2CCCC(CC(=O)O)C2)n1"]
["45795393","N#CC1=C(N)OC(C(=O)O)C1c1ccc(F)cc1"]
["32283289","O=C(O)/C(C#CC1CCCC1)=C/C1CCCC1"]
["150633779","CC(C)c1ncc2c(n1)CCC(C=O)C2"]
["162498461","CC1(C)CCCC1C(=O)OCC#N"]
["115800165","CCCN=C(O)N/C=C/C1CCCC1"]
["162354245","N#Cc1ncc(Br)cc1OC1CCC1"]
["69985788","N#Cc1cc(=N)c(OC2CC2)c[nH]1"]
["176781338","N#CB1CCN(c2ccc(C(=O)O)cc2Cl)[C@H](c2ccc(Cl)cc2)C1"]
["178157993","Cc1c[nH+]ccc1-[n+]1ccc(-[n+]2cccc(S)c2)c([S-])c1"]
["178134791","Cc1ccc[n+](-c2ccnc(C)c2)c1"]
["75750539","CS(=O)(=O)c1ccc[n+](N)c1.Cc1cc(C)c(S(=O)(=O)O)c(C)c1"]
["170211799","Cc1cc(C)c2c(c1)C(C)(C)C(C)(C)[n+]1cc(-c3ccccc3)ccc1-2"]
["19336023","CCN1CCN(S(=O)(=O)c2ccc[nH+]c2)CC1"]
["13208783","Cc1c[nH+]ccc1N1CCCN(C(=O)c2occc2C)CC1"]
["191423207","Cc1c(C(O)=NO)ccc[n+]1C"]
["117423180","Cc1ccccc1S(=O)(=O)NCCCc1ccccn1"]
["78102605","Cc1ccc[n+]([O-])c1[SiH](Cl)Cl"]
["21495955","Cc1ccc(/C=C\\S(=O)(=O)[N-]c2cccc3ccc[nH+]c23)cc1"]
["98554645","CCOC(=O)C[n+]1cccc(C=O)c1"]
["99685795","CCCCC(=N)/C(CC)=N\\P(S)Oc1c[nH+]ccc1C"]
["100202043","[Si+]#C[C-]=c1ccc2cc3cc4cc5ccc(=[C+]C#[Si-])[cH-]c5cc4cc3cc2[cH+]1"]
["168657893","CCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(CC)c2O)c1"]
["114360616","CCC(CC)(CN)C(=O)Nc1c(C#N)cccc1OC"]
["176143146","CC1(C)N=C(c2cnc3c(F)cccc3c2)c2cccn2N1"]
["56640443","CCOC(=O)Cn1c(=O)ccc2cc(C#N)ccc21"]
["187776493","N#Cc1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6cc(C#N)ccc6c5)cc4)c4ccc5oc6ccccc6c5c4)cc3)ccc2c1"]
["74989584","N#Cc1cc2c3c4c(ccc3c1)C=C=C[C]4C=C2"]
["113420791","N#Cc1cc(-c2nc(N3CCCC3)no2)ccn1"]
["68657892","NC1(c2nc(-c3cccc(Br)c3)no2)CCCCC1"]
["MCULE-5352393551","COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3cccc(F)c3)nc(C(C)(C)C)n1)C2"]
["175750287","CC.N#Cc1cccc(-c2cccc(C3(c4cccc(-c5cccc(C#N)c5)n4)c4ccccc4Oc4ccccc43)n2)c1"]
["97389754","C=c1cc2cc[cH-]c3cccc([cH+]1)c3-2"]
["103079314","C[Ge](C)=C=[C+][Si](C)(C)[Si](C)(C)C#C[Ge-](C)C"]
["25426186","CC(Cl)C#C[Si](C)(C)C"]
["67645099","C[Si](C)(Cl)C#Cc1cccc(C#C[Si](C)(C)Cl)c1"]
["187337993","C[Si](C)(C)[Si](C)(C)C=CC#C[Si](C)(c1ccccc1)[Si](C)(C)C"]
["23532197","CN(C)CC#C[Si](C)(C)C"]
["91190667","C[Si](C)(C)[Si](C)(C)C#CC#C[Si](C)(C)[Si](C)(C)C"]
["42980299","C[Si](C)(C)C#CC=CC#N"]
["56852739","C[Si](C)(C)C(=P(Br)=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["79369287","CO[Si](C)(C#C[Si](C)(C#C[Si](C)(OC)OC)C#C[Si](C)(OC)OC)OC"]
["198516898","CC(C)[Si](O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["96998821","CC(C)(C)[C@@H]1N[C@H]1C#C[Si](C)(C)C"]
["90936865","CCC#CC#C[Si](C)(C)C(C)(C)C"]
["168501704","C[Si-](=[Si]=C1C=CC(c2ccc(Br)s2)S1)([Si+]=c1ccc(=C2C=C=C(Br)S2)s1)[Si-]=c1ccc(=C2C=CC(=[Br+])S2)s1"]
["102107550","CN1C(S)=N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1"]
["92398126","CC1(C)CCC(CNCc2ccc(Br)s2)O1"]
["120929384","CC(CN)N1CC(c2ccc(Br)s2)N=C1O"]
["89662061","CC1(C)NCC1c1ccc(Br)s1"]
["150764557","CCc1cc2n(c1-c1ccc(Br)s1)[B-](F)(F)n1c(cc(CC)c1=C1C=CC(=[Br+])S1)=C2c1c(C)cc(C)cc1C"]
["172322569","CC(C)C(C)N1OC(N)=CC1c1ccc(Br)s1"]
["50065245","CN1C(=O)CCCC(C(=O)O)C1c1ccc(Br)s1"]
["64426603","CCN1CCOC(CNC)C1c1ccc(Br)s1"]
["8183776","Cc1cccc([C@@H]2C[C@@H](c3ccc(Br)s3)N=C3N=NNN32)c1"]
["69739083","CC(N=C(O)Cc1cc(F)cc(F)c1)C(O)=NC1C(O)=Nc2ccccc2SC1c1ccc(Br)s1"]
["120807191","O=C1NCC(c2ccc(Br)s2)NC1=O"]
["100857504","[O+][S+](=[O+])(O[PH-](CO)(CO)(CO)CO)[O+][PH-](CO)(CO)(CO)CO"]
["148614487","NC[C@H]1OB(O)c2c(OCCO)ccc(Cl)c21"]
["51796683","CCO/C([O-])=C(\\C)SC.[Na+]"]
["195736653","CCOC(=O)CN(CO)CO"]
["171667257","CCOC(=O)C1[C-]=CC=I1"]
["179130240","CSc1c(C)csc1CO"]
["150087268","CCOC(C)=NC(=N)SC"]
["78185843","CCOC(O)=N[N+]=N"]
["60123437","COCc1c(CO)c[nH+]c(C)c1[NH3+]"]
["164234515","CCC1OB(O)c2c(OCCO)ccc(Cl)c21"]
["79234309","CCOC(=O)[CH-]CC(=O)OCC.[Na+]"]
["117264844","Cc1ncc(C(O)=NCCCO)[nH]1"]
["190440239","B#[B-][B-]([B-]([B+])=[B+])=[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])[B-](=[B-]=S)[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+].CC12CC3(C)CC4(C)CC(C)(CC34C1)/C(=C\\O)C2=O"]
["189896572","[B][B-](=[B])B([B-](=[B])[B+])[B-]([B-]([B+])=[B+])=[B-]([B-]#B)[B-]([B])=[B]"]
["100229252","B#[B-][B-]([B-]([B+])=[B+])=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+].Cn1c(=N)[nH]c2ccc(OCCCOS(C)(=O)=O)cc21"]
["190311541","B#[B-]B(C)n1c(=O)n([B+]C)c(=O)n([B-](=[B+])C)c1=O"]
["191451921","COC(=O)[C@@H]1C[C@]2(CC(c3cc(C)c(OC(C)C)c(C)c3)=NO2)CN1C(=O)[C@@H](N=C(O)CC1CCCCC1)C(C)(C)C.Cc1cc(C2=NO[C@]3(C2)C[C@@H](C(=O)O)N(C(=O)[C@@H](N=C(O)CC2CCCCC2)C(C)(C)C)C3)cc(C)c1OC(C)C.[B]=[B-]([B+])[B-]([B-]#B)=[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])[B-]([B+])=[B+]"]
["190831284","OCc1ccccn1.[B]=[B-]([B+])[B-]([B-]#B)=[B-]([B-]([B+])=[B+])[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+]"]
["174067726","B#[B-][B-]([B-]([B+])=[B+])=[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])[B-](=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+])c1cc(C)cc(-c2cccc(C)n2)c1"]
["199754042","B#[B-][B-](=[B+])[B-](=[B-]=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+])B([B-]([B+])=[B+])[B-]([B+])=[B+]"]
["55572284","[B]=[B-]([B+])[B-]([B-]#B)=[B-]([B-]([B+])=[B+])[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+]"]
["194425352","CC1(C)OB(c2ccc(N=O)cc2)OC1(C)C.CC1(C)OB(c2ccc(NC(=O)N3CC[C@H](O)C3)cc2)OC1(C)C.[B]=[B-]([B+])[B-]([B-]([B+])=[B+])=[B-]([B-](=[B+])[B-]#B)[B-]([B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+])=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+]"]
["42290348","[B]=[B-]([B+])[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])=[B-]1CC1SCCCCCC(=O)O"]
["193268080","COc1ccccc1CCC(=O)CC1c2c(cc3c(c2OC)OCO3)CCN1C.[B][B-](=[B])[B-]([B-]([B])=[B])=[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])[B-](B([B-]([B+])=[B+])[B-]([B+])=[B+])=[B-]([B-]([B+])=[B+])[B-]([B+])=[B+]"]
["74165717","FC(F)C1=C=NC(C(F)F)=C1C(F)F"]
["90081695","FC(F)c1cnc(Cl)nc1"]
["162217306","NCc1cc(C(F)F)c(CO)c(F)n1"]
["85300637","FC(F)Cn1ccc(I)n1"]
["145432304","N#Cc1ccc(C(F)F)c(CBr)n1"]
["162233812","OCc1c(C(F)F)cnc(I)c1I"]
["193645103","FC(F)c1ccc(Br)cn1.O=Cc1ccc(Br)cn1"]
["162688503","CC(N=C(O)c1ncccc1Br)C(F)F"]
["76138491","Cn1nc(C(F)F)cc1F"]
["159179853","FC(F)CNc1ccc(I)cn1"]
["171883838","CC(=O)N(c1ccccn1)C(F)F"]
["162242688","Fc1ncc(CBr)c(Br)c1C(F)F"]
["195616413","Cc1c(I)cc(PNc2ccc(NNC3CCC([I+]NC4=[C-]CC([NH-])C=C4)CC3)cc2)cc1I"]
["44861867","Cc1cc(C#N)ccc1NCC1CC=CCC1"]
["95428334","Cc1cc(Br)cc(CNC2CC2)c1OCC(C)C(=N)O"]
["56085246","Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC1CC1"]
["85285900","CNC1CC2CCCC(C1)N2c1ccc(F)cc1I"]
["149042911","Cc1csc(CNC2CCC(Oc3ccc4c(c3)CCC(c3ccccc3)O4)CC2)n1"]
["93348783","CCn1cncc1COc1c(Cl)cccc1CNC1CC1"]
["32596319","C/C(=C\\C(=O)Nc1ccc(C(=O)O)cc1)[C@@H]1CC[C@H]2[C@H](Cc3ccc(I)cc3)[C@H](O)C[C@@H](C)[C@]2(C)C1"]
["30870590","CCN=C(O)c1ccc(-c2ccc(NC(O)=NCc3cccnc3)cc2)nc1NC1CC1"]
["142090383","Cc1coc(-c2cccc(NC(O)=NCc3ccccc3OC3CCC3)c2)n1"]
["146485985","CCc1ccc(NC(=O)C(C)N2CCCC(CN=C(O)C3CCCN3)C2)cc1"]
["8289161","Cc1ccc(NN[C@@H]2CC(=O)N(N(C)C)C2=O)cc1"]
["180518710","COC[C-]=CC[N+]1(C)[C-]=C(C)C(=O)N(C)C1=O.[U+2]"]
["154333829","COC1=CC(=C/C=C2/C=Cc3ccccc3N2C)C=C(OC)C1=O"]
["52379816","COCCCn1c(SCC(O)=Nc2cc(F)cc(F)c2)nnc1-c1ccccc1Cl"]
["113450571","COCCCn1cc(C)nc1Nc1ccc(C(C)C)cc1"]
["65871942","COCCN1C(=O)C(=O)C(=C(O)c2c(C)nn(C)c2C)[C@@H]1c1ccc(F)cc1"]
["112749375","COC1CC(NS(=O)(=O)c2c(C)nn(CCO)c2C)C1"]
["130037094","COCCN1CCN(C(=O)COc2cc(C)ccc2C)CC1=O"]
["73730970","CCCc1nc(C)nc(C=C2C(=O)N(C)C(=O)N(C)C2=O)n1"]
["MCULE-5069804937","CCCCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(OC(C)C)cc2)C1=O"]
["7267605","COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1C"]
["58021545","CCc1ccc(C2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCOC)cc1"]
["55811648","COCCCN1CCC(O)=NC(C(C)C)C1=O"]
["168513930","[Si+][Si-]1(=[Si+])[Si+][Si-](=[Si+])([Si-])[Si]2=[Si]1[Si-]([Si+])(=[Si+])[Si-][Si-]2(=[Si+])[Si-]"]
["91344557","[Si+]=[Si-]1([Si-])[Si]=[Si]=[Si+]1"]
["91407668","[Si+][Si-]1(=[Si-])[Si+][O+]=[Si-]1"]
["168444495","[Si+][Si-]1(=[Si+])C=C[Si-](=[Si+])([Si-])C=C1"]
["168445972","C[Si]1(C)[Si-]([Si+])(=[Si+])[Si]2=[Si]([Si-]1(=[Si+])[Si-])[Si-](=[Si+])([Si-])[Si](C)(C)[Si-]2([Si+])=[Si+]"]
["91070686","[Si][Si-]1(=[Si+])[Si-]([Si+])(=[Si+])[Si-]1(=[Si+])[Si-]"]
["91633974","[Si+]=[Si]1[Si+][Si-]1(=[Si+])[Si-]"]
["91211625","[Si+][Si-]1(=[Si+])C[Si-](=[Si+])([Si-])C1"]
["1318095","Cl/C=C/C[NH+]1C[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3"]
["79842456","[CH2-][C]1C2CC3CC(C2)CC1C3.[Li+]"]
["68777851","C[NH+](C)CC(C)(C)C[NH2+]C1C2CC3CC(C2)CC1C3"]
["89592845","CC(CC(=O)O)(C(=O)O)C1C2CC3CC(C2)CC1C3"]
["114794419","CCCC1CNC(C)(C2CC2)CN1C/C=C/Cl"]
["34250241","C=CC(=O)CC1(SCC)[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2"]
["157029471","C[C@@H]1CCN(C/C=C/Cl)C[C@@H]1Br"]
["57150215","CC1(C=CCl)CC(C)(CBr)C(Cl)CC1Cl"]
["19728752","C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C/C=C/Cl)CC1"]
["5191958","CC(C)CCN=C(O)[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3"]
["114792624","CC12CCC(C1)C(C)(C)C2NC/C=C/Cl"]
["109411201","CCOC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H](C=O)C2"]
["168463142","CC1=N[Si-]2(=[Si]([Si]#[Si+])C(C)C)N=C(C)[Si]1([Si+]([Si]#[Si-])C(C)C)C(C)=N2"]
["49925781","CCC(C)C1CN(C(C)c2nc(C)cs2)C(C)CN1"]
["115399945","CC(C)CCNC(=O)C(O)=Nc1ccc(S(N)(=O)=O)cc1"]
["158404880","C/C(=C\\c1cc(C)ns1)[C@H](C)Br"]
["65858320","COc1cccc(/C=C2\\SC(=Nc3ccc(N=C(C)O)cc3)N=C2O)c1OC"]
["114594032","Cc1ccc(N=C(O)CCNC(C)C)cc1O"]
["192634826","C.Cc1sncc1N=C(O)C1=[C-]CCC(C(C)C)=N1.[Y]"]
["182185537","CC1=C(N=[N+]=[N-])C(C)CC(F)C1"]
["199027731","COc1cccnc1N(C)C(=O)N1CCC(F)CC1"]
["49678056","CCc1nc(C(CC)NC(C)C)sc1C"]
["156344343","C#CC(C)Nc1cc(C)nc(C(=O)O)c1"]
["MCULE-6371185816","COc1ccc(-c2cccnc2NC(=O)c2cccnc2C)c(OC)c1OC"]
["172885641","C1=C[C-]2[CH-]C=c3c(ccc4c5c(ccc34)-c3[se]c#cc3CC=5)C2=[Se]=1.[W].[W]"]
["174463605","C1=C(CC2CCCN2)c2ccc3c4c(ccc3c2=CC1)CCCC=4"]
["79667637","CC1=CCc2[c]cccc21"]
["172089893","FC1=C=C(F)C(N2CN(c3ccc(F)cc3F)C3=C[CH-][CH-]C=C32)=C=C1.[Ir]"]
["98049743","[CH-]=Cc1ccc2c3c([nH]c2c1)=C[C+]=CC=3"]
["75117506","O=C1C=CC=c2c1ccc1c2=CCC1=O"]
["175636094","O=C1OCC=c2c1ccc1c2ccc2c3c(ccc21)C(=O)OCC=3"]
["174242962","COc1ccc2[nH]c3c(c2c1)CC=c1c(cc[nH]c1=NCCCCCCN)=C3C"]
["79667645","C=CC1=CCc2[c]cccc21"]
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["59348536","C1=c2c(ccc3c4c(ccc23)-c2ccccc2CC=4)-c2ccccc21"]
["194051056","OC1=CCc2c1ccc1c2C=CC23CC4(C=CC12O3)OCCO4"]
["168744864","ISC#Cc1ccc2c(c1C#CSI)C=CC(C#CSI)C2C#CSI"]
["62942467","N#Cc1cccc2c1C=CC2C#N"]
["176566039","N#Cc1cc(F)cc(-n2cc(C#CSI)c(Cl)n2)c1"]
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["169927500","O=C(O)[C@H](CCC(O)=NC(c1ccccc1)(c1ccccc1)c1ccccc1)N=C(O)OCC1c2cc(C#CSI)ccc2-c2ccc(C#CSI)cc21"]
["162526094","N[C@@H]1CCc2c1ccc(I)c2Cl"]
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["197315126","CC(C)(C)OC(=O)n1cnc(C2CC2CN)c1"]
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["29376142","CC[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1"]
["11952919","C=C1C[C@@H]2[C@@](C)([C@H](O)[C@H](OC(C)=O)[C@@H]3C(C)(C)C(=O)C[C@H](O)[C@]23C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC"]
["177992856","CNC1C=CC=C(OCCOCC(C)=O)C1"]
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["MCULE-9769630041","CCOc1ccc(-c2cc(F)c(F)cc2NC(=O)C2CCCN2C(=O)OC(C)(C)C)cc1"]
["198130792","[C+]#[N+]C12CC(COS(#C)([O-])[O-])(C1)C2"]
["29235667","COCC1(COC)COc2c(Br)sc(Cc3sc(Br)c4c3OCC(COC)(COC)CO4)c2OC1"]
["63562819","C#CC(=O)OCOC(=O)C#C"]
["75403501","[O-]C12CC3(C[C+]1C3)C2"]
["171772132","CS(=O)(=O)OCC12CCC(C1)C2"]
["32575140","O=S(=O)(OC[C@]12C[C@]3(Br)C[C@](COS(=O)(=O)C(F)(F)F)(C1)C[C@@](COS(=O)(=O)C(F)(F)F)(C3)C2)C(F)(F)F"]
["99963032","CC1CC2(O)CC(C)CC(COC(=O)C(F)(F)S(=O)(=O)O)(C1)C2"]
["196861884","CC(C)(C)[Si](C)(C)OCC12CC(CO)(C1)C2"]
["185114238","CCCCOS(=O)([O-])=[Se]"]
["171747260","CC1CCC(OCSOOO)CC1"]
["186912899","FCC12CC([B-](F)(F)F)(C1)C2.[K+]"]
["178458558","N=CC=C(N)OCC12CC(F)(C1)C2"]
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["157263488","Brc1nnc([C@H]2C[C@@H]3C[C@@H]3C2)o1"]
["179736138","CC12CC(C(I)C1OS(=O)[O-])C1CC12"]
["76989850","O=C1C(Cl)=C(Cl)C2(OC3C4CC2C2C4C32)C(Cl)=C1Cl"]
["180844153","[O-]C1CC([I+]I)C([O-])O1"]
["76207225","C[C@@H]1C[C@H]([N+](C)(C)[O-])CC(O)O1"]
["22841335","O=C1C2CC3CC(C2)C(I)C1C3"]
["76245091","IC1C2CC3COC1C3C2"]
["59333067","CSC(C)C1OCC(C)([N+](=O)[O-])CO1"]
["156739892","Ic1nnc([C@H]2C[C@H]3CC[C@H]2C3)o1"]
["119232607","Cc1occ2c1CCNC2CC(=O)O"]
["185799765","[CH+]=CB1OB(C=C)OB(C=C)O1"]
["79314871","C=C[SiH]1O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O1"]
["34720148","C=C=CB1OCCCO1"]
["67063734","C=CCB1OB(CC=C)OB(CC=C)O1"]
["160732401","C1=COC=CO1.C=CCl"]
["161719626","C=C[Si](C)[Si](C)(C)C"]
["46149487","C=C[Si](C)(C)C[Si](C)(OC)OC"]
["174290240","C=COC(CC(C)O)CC(C)O"]
["145173175","C=CC(Cl)CN"]
["189091587","C=C/C(C(O)=NO)=C(/N)I"]
["185921377","C=CS1(C)CS(C)(C=C)C1"]
["26425648","C=C[SiH]1O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O1"]
["100746524","N#[N+]n1n2cn[nH]n12"]
["69532436","Cc1nc(-n2cnnc2)n[nH]1"]
["42141842","N#[N+]c1n[nH]cc1C(=N)[O-]"]
["49824671","N#[N+]c1n[nH]cc1C1CC1"]
["165205609","N#[N+][C-]1C=NO[NH+]1[O-]"]
["32340450","CC(C)(C)[Si](C)(C)C#Cc1cc(C#N)c(C#N)cc1C#C[Si](C)(C)C(C)(C)C"]
["74494753","N#CN1N=C(Cl)C(Cl)=CN1"]
["12809420","N#[N+]c1nc[nH]n1"]
["45118708","N#CSn1cccn1"]
["158007006","C[C@H](c1ncn(C)n1)n1[nH]nnc1=N"]
["165788964","C/C(C#N)=C1/C=CN=C(O)N1C"]
["181549659","CCCn1ccsc1=N[N+]#N"]
["195754011","CNC#Cc1c(O)c(O)c(C#C[N+](C)(C)C)c(O)c1O"]
["25799255","Cc1c(Cl)c(O)c(O)c(Cl)c1Cl"]
["100493744","CNCc1c(O)cc(C)c(O)c1C"]
["28052678","CNC.Cc1cc2c(c(I)c1O)C=C2"]
["89390677","CNCc1c(C)oc(Br)c1C"]
["54413426","CN(C)C=[O+]c1cccc(N)c1O"]
["163186474","CC(C#N)c1cccc(C(F)F)c1O"]
["180820771","C/C=C(/C#N)N(C)C#CNC"]
["178619063","CNC(C)(N)c1ccc(C(=O)O)cc1"]
["92948670","COc1c(O)ncnc1NC(C)CN(C)C"]
["59373286","CC=C(OC)c1cccc(OC)c1OC"]
["178408803","CNC#Cc1ccccc1N"]
["79570394","C1=C(OB(OC2=CC[N-][N-]2)Oc2cc[n-]n2)[N-][N-]C1.[V+5]"]
["43749511","CC(C)(C)c1cc[n-]n1.[V].[W]"]
["197704415","CN1CCc2c(-c3cc[n-]n3)ccc(F)c21"]
["165195756","COc1nc(OC2CC2)ccc1B(O)O"]
["108288913","c1ccc(OC[C@H]2C[C@@H]3[C@@H](C2)OCCN3c2ncccn2)nc1"]
["93750339","COc1ccc(=O)n(CC2(CS)CC2)n1"]
["180307619","N#CC1CCCN(c2cc[n-]n2)C1.[Tl+]"]
["172022689","Cc1c(F)ccc(-n2nnn(C)c2=O)c1COc1cc[n-]n1.[Y]"]
["100322630","O=[N+]([O-])c1ccn(OB(On2ccc([N+](=O)[O-])n2)On2ccc([N+](=O)[O-])n2)n1"]
["187164994","O=CCC(O)Cc1cc[n-]n1.[Al+]"]
["200007887","COc1ccn(C2CNC2)n1"]
["69995835","CC(C)(C)Oc1cc(OC2CC2)cc(I)n1"]
["180271784","C=[O+]C1=C=CC(C[N-][NH-])=[C-]C1.[U+2]"]
["172987604","C=C1[C-]=CC=[C-]C1.CCC.[Zn+2]"]
["79957589","[B+]=C1C[C-]=CC=C1CBr"]
["98422284","CC[O+]=C1C=C=C(N([O])[O-])C=C1"]
["176155954","[B+]=[O+]C1=C=CC(=C2[N-]N(C)[C-]=C2[S-])CC1.[Rf]"]
["96454089","Cc1ccoc1CNCCCF"]
["178417601","CCC1C=C=C(N[C-]=O)[C-]=C1.[U+2]"]
["79091448","CC[Si](C)(CC)C1=[C]CC=C1.CC[Si](C)(CC)C1=[C]CC=C1.[Ni]"]
["101091988","C1=CCC=[C-]C=1Cc1c#ccc[c-]1.[Li+].[Li+]"]
["110880943","N=BN=C1C=CCC=C1"]
["174943114","C.C=C1C=C=C([N-]CNC)[C-]=C1.[Er]"]
["69651004","[B+]=[O+]C(C1=[C-]CC(C(C)CC)C=[C-]1)(C(F)(F)F)C(F)(F)F"]
["180625170","C1CC23CC[I-]24CC2C1C4C2C3"]
["178125664","C1CC23CC(C2)C2CC1CC23"]
["23761167","CN(C)C1C([N+](C)(C)C)C2CCC1(C)C2(C)C.[I-]"]
["85435377","CC1C(Br)CCC1C1CCOC2(CCOC2)C1"]
["180137231","CCC1CC[C@@](NC)(C(=O)OC)C1"]
["108177005","BrC1(Br)[C@@H]2C[C@]34CCCCC[C@@]3(C[C@@H]21)C4(Br)Br"]
["13026410","CC1(C)CC[C@@]2(C)C[C@@H](C1)[NH+](C1CCCCC1)C2"]
["179486281","C1C[C@@]23C4CCC2C3C14"]
["178369265","CC12CCC3(CC3S1)C2"]
["188631333","CC(C)[C@]12CC[C@H](C)[C@H]3CC[C@](C)(CC31)OO2"]
["189836190","CCCCC1(C)CC[C@H]2C(C1)OC(=O)C2C"]
["170241186","CCC1CCC1CC(C)C1CC(F)(F)C1"]
["78013568","N=C1N=c2nnc3n2C(N=NN=3)N1.[Na+]"]
["84830976","CC(N=C(O)c1cn(C2CNC2)nn1)C(=N)O"]
["177756729","N=C1N[C@H]2[C@H](COC(=N)O)NC(=N)N3CCC[C@]23N1"]
["175854977","N=C1N=C(Cl)C2=CC=[C-]C2N1.[Re]"]
["111290522","COCCOCCc1nc(C(C)(C)C)c(I)c(=N)[nH]1"]
["103486061","CCOC(=O)c1cnc(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[nH]c1=N"]
["98169661","CNC1NC(=N)N=CC1C"]
["82981229","Cl.Cl.N=C1N=C(O)C2C(CN)=CN=C2N1"]
["82429362","CN(C)C1CCCN(C2=NC(=N)NC3c4cc(Cl)ccc4OC23)C1"]
["197174416","N=c1nc(Br)n(CCOC2CCC2)[nH]1"]
["70215664","N=C1N=C(O)C2N=CN(C3OC(OC(=O)P(O)O)C(=C(F)F)C3O)C2N1"]
["85023012","CCC1CC2(CCO1)CNC(=N)N2C"]
["116278747","C[Si]1(C)/C=C\\P(I)/C=C\\[Si](C)(C)O1"]
["24868324","C[Si]1(C)CNC[Si](C)(C)O1"]
["84112752","C[Si]1(C)CCP([Si](C)(C)C)CC1"]
["97718611","C[Si](C)(C)/C=C1\\CCO[Si]1(C)C"]
["96525846","C[Si]1(C)C=C([Si](C)(C)C)c2ncccc2O1"]
["78588234","C=C[Si]1(CC)O[Si](C=C)(CC)O[Si](C=C)(CC)O[Si](C=C)(CC)O[Si](C=C)(CC)O[Si](C=C)(CC)O[Si](C=C)(CC)O[Si](C=C)(CC)O1"]
["68695994","CC[Si]1(C)O[Si](C)(CC)O1"]
["114654667","CCCCCSc1ccc(CO)s1"]
["34150534","C[Si]1(C)O[Si](C)(C)c2cc3c(cc21)[C@@H]1C=C[C@H]3CC1"]
["194612038","C=CC[Si]1(C)O[Si](C)(CC=C)O[Si](C)(CC=C)O[Si](C)(CC=C)O[Si](C)(CC=C)O[Si](C)(CC=C)O1"]
["100860484","C[Si]1(C)O[Si](C)(C)c2ccc(cc2)[Si](C)(C)c2ccc(cc2)[Si](C)(C)O[Si](C)(C)c2ccc(cc2)[Si](C)(C)c2ccc1cc2"]
["100752136","C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1"]
["171930037","CN1[CH]OC=C1[B+]c1c[o+]cn1C"]
["66286075","Cn1ccc2c(c1=N)n(C)c(=O)n2C"]
["66816110","CC1=C(C)C2=C3C(=O)OC(=O)C3=C3c4ccccc4N(C)C3(C)C2(C)S1"]
["113454906","Cc1cn(C)c(=NC(C)CC(C)C)[nH]1"]
["161711402","Cc1c[o+]cn1C.[I-]"]
["59484131","CC=C1C=CN(C2=C=C(C)OC2C)[N-]1.[Ir]"]
["162442628","CN1NN=C(Br)C1=C1N=CC(C(=O)O)=N1"]
["188970321","CN1C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C12CC2"]
["97828155","CN1[CH]N([O-])C(c2ccccc2)=C1c1ccccc1"]
["171974863","C#Cn1c[o+]cc1C(C)(C)C"]
["150610332","Cn1ccnc1/C=N/SC(C)(C)C"]
["174985826","Cn1c[o+]cc1-c1nc(-c2nc(C(=O)O)co2)co1"]
["101658389","O=PPCC(CPP=O)(C[PH](=O)P)C[PH](=O)P"]
["26743333","[CH2]SP=O"]
["174878380","CCC(CC)(CC)CCCP=O.N=[N+]=N"]
["78610337","CS[PH](=O)P=O"]
["99448207","CCC(CC)(CO)CO.O=PCl"]
["185393190","Nc1cccc(C(=O)O)c1CCc1c(N)cccc1C(=O)O"]
["78084671","O=[PH](O)O.OCC(CO)(CO)CO"]
["79052442","O=[PH](O)CC(F)(F)F"]
["190366806","O=CPCCCP=CP"]
["78644187","C=C(C)CCPP=O"]
["149939692","CC(C)COC(C)(C)P=O"]
["79430538","CC(C)(C)OP=O.NC(CO)(CO)CO"]
["168485198","N=[Si]CCB(CC[Si+]=N)CC[Si-]=N"]
["58125785","CCCC[Si+]=[Si]=[Si-]CCCC"]
["64724444","COC(OC)[Si]CCC(CC[Si+]C(OC)OC)CC[Si-]C(OC)OC"]
["46168559","ClC(Cl)[Si]CCB(CC[Si+]C(Cl)Cl)CC[Si-]C(Cl)Cl"]
["42032536","CCC[Si+]=[Si]=[Si-]CCC"]
["168474713","C[Si]C(C)B(CC[Si+]C)CC[Si-]C"]
["195787002","C/C=C\\C=C(/[NH3+])S(=O)(=O)COC(C)OC"]
["172695806","C[Si-]CC[Si+]N"]
["99586064","CCCCC[Si]=N"]
["90938540","CCC[Si]#[Si][Si-]=[Si]=[Si+]CCC"]
["83056994","C[Si]CCB(CC[Si+]C)CC[Si-]C"]
["172748943","C[Si]CB(C[Si+]C)C[Si-]C"]
["179309782","Cc1n[nH]c(C)c1-c1cc(-c2c(C)[o+]n(Cc3n[nH]c(C)c3-c3cc(-c4c(C)noc4C)cc(N)c3N)c2C)cc2nc(C(F)F)[nH]c12"]
["183427446","Cc1noc(C)c1-c1cc(-c2c(-c3ccccc3)cnn2C)c2[nH]cnc2c1"]
["34426117","CC(=O)c1cc(F)c(-n2ccc(=O)c3ccc(-c4c(C)noc4C)cc32)cc1N"]
["6255169","COc1ccc(F)c(-c2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)c(C)o2)c1"]
["MCULE-6298998876","Cc1nn(-c2cncc(C(F)F)c2)c(N)c1C(=N)O"]
["166674178","C=C(CCn1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc1CC(F)F)N1CCOCC1"]
["200436541","Cc1n[nH]c(C)c1-c1cc(C)c2ccc(OCCO)cc2n1"]
["68908129","CCCN=c1[nH]c(C(F)F)nc2ccc(C)cc12"]
["MCULE-6123716863","COc1ccc(-c2cc(C(O)=NCc3cncc(-c4c(C)n[nH]c4C)c3)ccc2C)cc1"]
["109517415","Cc1ccc(-c2noc([C@H](C)Sc3nnc4sc5ccccc5n34)n2)cc1F"]
["190641045","CCC(c1nc2ccc(C#N)cc2[nH]1)c1c(OC(F)F)cc(C)c2[nH]ccc12"]
["191905645","CCN=C(O)Nc1nc2cc(-c3ccc(C(C)C)nc3)cc(-c3ncccc3F)c2[nH]1.CCN=C(O)Nc1nc2cc(-c3ccc(C(O)C(C)C)nc3)cc(-c3ncccc3F)c2[nH]1.CCN=C(O)Nc1nc2cc(-c3ccc(C(O)C4CC4)nc3)cc(-c3ncccc3F)c2[nH]1"]
["191353374","NS(=O)(=O)OC[C@H]1C[C@@H](Cc2ncncc2C(=O)c2cc(CN3CCn4ccnc4C3)cs2)C[C@@H]1O"]
["187345878","CCc1nc(O)ccc1C(=O)N1CCOc2cc(ccc2OC)-c2nccn2-c2cc(CN3CCOCC3)cc(c2)C1"]
["104996912","CCOC(=O)[C@H]1CCCN(c2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2N)C1"]
["156208139","C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(C)c2)CC1"]
["20039033","CCOc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1"]
["119257354","Cc1nc2ccc(N=C(O)C3CCn4ccnc4C3)cc2s1"]
["8261369","CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN(c2cnccn2)C1"]
["138722015","CN(CC(O)=Nc1ccc(Br)cn1)C(=O)C1CCn2ccnc2C1"]
["100021855","COc1ccccc1S(=O)(=O)N1CCN(CCn2ccnc2C)CC1"]
["20438636","CC(C)(C)c1ccc(CN2CCN(c3ncccc3C([NH3+])=O)CC2)cc1"]
["167479558","COc1ccc2cc1OCCN(Cc1cnn(-c3ccccc3C)c1)CC(O)=N[C@H](C(C)C)C(O)=NCCn1ccnc1-2"]
["101934864","N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(OCCn4ccnn4)nc3)C2)cc1C(F)(F)F"]
["58735194","CCN1C(=CC=C(C)C=Cc2n(C#CSOOO)c3cc(C(=O)OC)c(F)cc3[n+]2CC)N(C#CSOOO)c2cc(COOC)c(F)cc21"]
["112021634","CCCCN(CC)Cc1ccc(C(=O)OC)c(F)c1"]
["65180509","CCOC(=O)c1cc(C=CC(C)=CC(=O)OC)oc1-c1ccccc1"]
["MCULE-7918225089","CCCCOc1ccccc1N1C(=O)C(Nc2ccc(CCCC)cc2)=C(c2ccc(F)c(C)c2)C1=O"]
["80684149","CCN1C(=O)C(C)(C(O)=Nc2cc(OC)c(OC)cc2C(=O)OC)Sc2ccccc21"]
["73957581","C#CCN(c1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1)C1CCc2cc3nc(C)n(COC(=O)C(C)(C)C)c(=O)c3cc21"]
["199678016","COC(=O)C1=C(C(=O)OC)N(c2cc(C)ccc2O)C=CC=C1"]
["12119682","CCOC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C[C@@H]1c1ccccc1F"]
["MCULE-3962107619","CCOc1ccc(-c2cc(F)c(C(=O)N3CCN(Cc4ccc(C)cc4)CC3)cc2C)cc1F"]
["MCULE-2801172570","COC(=O)c1c(C2CCCC2)nn(Cc2cccc(F)c2)c1N"]
["127251068","CCc1ccc(OS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)cc1"]
["149288797","CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)C2c2cccc(Cl)c2Cl)ccc1OC"]
["172015626","O=[As]1(c2[c-]c(C(c3ccccc3)(c3ccccc3)c3cccc([As-]4(=O)=c5ccccc5=C5C=CC=C=C54)n3)ccc2)c2ccccc2-c2cc[n-]c21.[Au+3]"]
["33375432","CN(C[C@@](C)(CCN1CCC2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccc(CN=C(O)O[C@@H]2CCOC2)cc1"]
["171976147","CN1C=CC=CC1=C1C=C(C(C)(C)C)N=N1.CN1c2ccccc2C2=[C-]C(c3ccc4ccccc4n3)=C=CC21.[Ir]"]
["164115611","O=C(N[C@H]1C[C@H](N=C(O)c2cncc(-c3cccc([C@](O)(C(=O)COC4CCN(Cc5ccccc5)CC4)c4ccccc4)c3)n2)C1)c1ccc(CNC[C@H](O)c2ccc(O)c3nc(O)ccc23)cc1"]
["28223747","CC(=O)c1c(C)nc(C)c(C(=O)CCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)c1-c1cccc(Cl)c1Cl.O=C(O)/C=C/C(=O)O"]
["2799582","OC(/C=C/c1ccccn1)=Nc1nc(-c2ccccc2F)cs1"]
["42595631","NC(CCCCNS(=O)(=O)c1ccccc1)C(O)=NC1CCc2cc(O)ccc2C1Cc1cccnc1"]
["98836577","CC(C)OC(=O)C(C)(CCCN1CCN(c2cccc(-c3ccccc3C(F)(F)F)c2)CC1)c1ccccc1"]
["171983596","Oc1ccccc1N1C=CN(Oc2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)C1"]
["172711810","CCN1CCC(N(C)c2nc3c(-c4ccc(F)cc4)cccc3nc2C(=O)O)CC1"]
["144066120","O=S(=O)(c1cccnc1)N(Cc1cccc(Cl)n1)C1CC1"]
["81012247","O=C1C=CC=CC1=c1ccc2c(c1)CCCc1c(C(=O)O)c3c(nc1=2)C=CC(F)C=3"]
["193683008","C[C@@H]1CO[C@@]2(CC[C@]3(C)C4CC[C@]5(C)CCCC5C4CC[C@H]3C2)O1.C[C@@]12CCCC1C1CC[C@H]3CC4(CC4)CC[C@]3(C)C1CC2.C[C@]12CCCC[C@@H]1CCC1C3CC[C@@H]4C=CC=C[C@]34CCC12"]
["1696302","CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4CC[C@H](OC(=O)c5ccccc5)[C@]4(C)CC[C@H]32)C1"]
["96506781","CC1=NC2CC3CCC4[C@@H]5CCC6(CC(C)=C5C[C@@H]4[C@@]3(C)CC2S1)O[C@@H]1C[C@H](C)CN[C@@]1(N)[C@H]6C"]
["52266501","C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5CC[C@]43O[C@H](O)[C@H]5CC(=O)O)C2)[C@H](O)[C@@H](N)[C@H]1O"]
["151528475","COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C"]
["83524725","CC(=O)O[Si](C)(C)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC23O[Si](C)(C)OC3C)C1"]
["78226657","CC(C)(C)[SiH2]OC(C)(C)C1CC[C@H]2[C@@H]3CCC4C=C(O[Si](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C"]
["42267973","COc1cccc(N2CCN(CC[C@@]3(O)CC[C@H]4[C@@H]5CCC6CCCC[C@]6(C)[C@H]5CC[C@@]43C)CC2)n1"]
["185603429","CCC(=O)OCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)CCC[C@H]3[C@H]12"]
["33934455","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@@]43COC3CCCCO3)[C@@H]1CC[C@@H]2O"]
["173117664","C=[C-]C.CCCC1(C)C(C)CC(C)C2C3CCCC3(C)CCC21.[Cm]"]
["82345708","CCC12CCC3C4CCCC4(C)CCC3C1(C)CCC(O)=N2"]
["175301362","O.[B]=C1[C-]=C([B+])C(=[B+])C(=[B+])[C-]1C1=[C-]C(NCC([B+])([B+])NCC(OC)C2=[C-]C(Cl)=[C-]CC2)=[C-]CC1.[W]"]
["93889723","CCCNC(c1cccc2c1OCC2)C(C)(C)OCC"]
["10712307","COC(=O)CCc1cc2c(C)cc(=O)oc2cc1OCc1cc(Cl)cc2c1OCOC2"]
["181795029","CNCC(OC)c1nn(C2CC3(C2)CN(C2CCOCC2)C3)cc1N=C(O)OC(C)(C)C"]
["31706508","COc1ccc(CC(C)(C)NCC(O)COc2ccc(C(=O)N3CCOCC3)c(Cl)c2Cl)cc1"]
["179091985","COC(CNC1C[C@@H]2[C@H](C1)C2(C)C)c1c(Cl)cccc1C(F)(F)F"]
["147477554","O=C(COCC1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1)N1CCOCC1"]
["111420988","CCCNC1CCOCC1CN(CCOC)C1CC1"]
["116663657","CCN=C(NCC(O)c1cccc(C)c1)NC1CCc2nc(COC)nn2C1"]
["95895143","CCC(OC)c1nc(COC)c(CNC(C)(C)C)s1"]
["118464779","CN=C(NCC(OC)c1ccc(F)cc1)NCC(C)(C)N1CCOCC1.I"]
["153073593","CCCCOP1(=O)CC(C)=C(Cl)[C@@](C)(OC)C1"]
["178662997","C[n+]1c2csc1C(C)(C)c1cncc3c1Pc1c-2cncc1C(C)(C)c1nc-3cs1"]
["415502","Brc1ccc(-c2csc(N/N=C/c3ccccc3)n2)cc1"]
["80001410","Cc1ccccc1S(=O)c1nc(-c2cnn3ccc(Br)cc23)cs1"]
["24272388","Clc1ccc(-c2csc(NN=Cc3ccccc3)n2)cc1"]
["120919266","CNCCCCc1nc(-c2ccccc2Br)cs1"]
["84323837","CCc1ccc(-c2csc(N=C(O)CSc3nnc(Cn4cncn4)o3)n2)cc1"]
["87628895","Cc1ccc(C)c(-c2csc(CCCl)n2)c1"]
["99028343","CCCc1ccncc1-c1nc(-c2ccc(N3CCCC3)cc2)cs1"]
["197983324","Cc1nocc1-c1csc(-c2cncs2)n1"]
["143527517","CCc1ccc(-c2csc(N=C(O)CCCC(C)=O)n2)cc1"]
["93318521","Cc1nc(-c2ncc(I)c(Cl)n2)cs1"]
["198926859","CSc1c[n+]2c(C)cc(C)nc2s1.[O-][Cl+3]([O-])([O-])[O-]"]
["168436094","C[Si](C)(C)OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O[C@@H]([C@@H](O[Si](C)(C)C)[C@@H](/C=N/O[Si](C)(C)C)O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C"]
["74674086","CC(=O)CCCCO[C@@H]1OC(COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H]1N=C(C)O"]
["64101486","C[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C"]
["33279713","CCN=C(O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@@H](COC(C)=O)OC(C)=O"]
["150741428","CCC1O[C@H](CO[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1"]
["32633825","CC(=O)O[C@H]1[C@H](OCC[C@@H](O)C#CBr)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1O[Si](C)(C)C(C)(C)C"]
["81342004","CC(O)=NC1C(OC2OC(CC(O)C3OC(N4CCC(O)=NC4=O)C(O)C3O)C(O)C(O)C2N=CO)OCC(O)C1O"]
["64716272","CC(C)OP(=O)(OC(C)C)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1F"]
["32969234","CCCCCCC/C=C/CC(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N=C(O)C(CCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C"]
["78770515","C[Si](C)(C)OC[C@H]1OC(O)(c2ccc(Cl)c(Cc3ccc(OC4C5COCC54)cc3)c2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C"]
["78538655","BC1OC(CO[Si](C)(C)C)C(C)C1C"]
["34066971","CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C"]
["179284328","CC1CC(C2CCCC(C3=C(Cl)CC(N)C(NC[O-])N3)C[I+]C2)CCC1C[NH-]"]
["114079584","CC1CCCC1c1nnc(Cl)o1"]
["76868540","COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3CCCC(C)C3C)c2c1"]
["86545435","CCCNCC1CCCC1Cc1ccc(Cl)cc1Cl"]
["167530105","C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1"]
["186192537","CCOc1ccc(Cl)cc1CN(C)c1cc([C@H]2C[C@@H](N)C2)[nH]c(=N)n1.Cl.Cl"]
["33615424","CCCCC1=C2NC(=[NH2+])N[C@H]3CC[C@@H](C[C@@H]1C)[C@@H]23.O=[N+]([O-])[O-]"]
["93121691","CC1CCCC(c2nc(C(C)C)c(CN)s2)C1"]
["88196234","Cc1ncc(CNC2CCCc3sc(Cl)cc32)s1"]
["119913133","CC1CCC(C)C(O)(Cc2cccc(Cl)c2F)C1"]
["157872126","C[C@H]1C[C@@H]1NC[C@H]1CCCN1"]
["MCULE-3687708092","Cc1cc(Cl)ncc1-n1nc(C2CCC2)c(C)c1I"]
["76239805","[1CH3][1CH2]/[1CH]=[1CH]\\[1CH]1[1O][1CH]([1CH3])[1O][1CH]1[1C]1=[1C]([1CH3])[1C](=[1O])[1C]([1CH2][1OH])([1CH2][1OH])[1O]1"]
["76239789","[1CH3][1CH2][1O][1C](=[1O])[1C]1=[1C]([1CH3])[1O][1C]2([1CH2]1)[1CH2][1C]1=[1C]([1CH2][1C]([1CH3])([1CH3])[1CH2][1C]1=[1O])[1O]2"]
["81593156","CC1=CC=C(C=Nc2cc3c4c(cc(NC=C5C=CC(C)=N5)cc4c2)C=C(NC=C2C=CC(C)=N2)C3)C1"]
["42720688","COC1=CC(Br)=CC(=CNc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)C1=O"]
["173450484","C=C(Cl)S/C(=C\\C)SN=C(O)Nc1ccc(N2C(=O)Cc3cc(C)ccc3C2=O)cc1"]
["42580219","CC1=N/C(=C\\NCCCCCCN/C=C2\\C=CC(C)=N2)C=C1"]
["175737092","CCOC(O)=Nc1ccc(N=CC2=CCC(C)(F)C=C2)cc1N"]
["76397879","CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C)nc2c1cnn2C(C)C"]
["66378339","CC1=C/C(=C\\Nc2ccc3nc(C)ccc3c2)C(=O)C(I)=C1"]
["188436959","CC/C=C1/N=C(C)C=C/C1=N/C"]
["176217498","Cc1nc(C2(N=C(O)OC(C)(C)C)CC(C)(C#N)C2)ncc1Br"]
["178496168","CC1=CC=CC(N=Nc2cc(C)c(O)cc2C)=CN1O"]
["145219329","CC(C)CN=CC1=N/C(=C\\NCC(C)C)C=C1"]
["174033467","C=C(N=CS)/C(=C\\C1=CC=C(C)C1)C(=C)N(C)c1ccccc1F"]
["100978413","C#C/C=C(C)/C=C/[C@H](OCOC)[C@@H](C)CC/C=C(\\C)C(=O)O[C@H](C)CCC/C=C(/C[C@H](C)/C=C/I)OCOC"]
["45988709","COCOC[C@H](O)Cc1ccccc1Cl.COCO[C@H](C(C)=O)c1ccccc1Cl"]
["185978781","CCC(=O)OC(CCC(C)C(CC(CC)O[Si](C)(C)C(C)(C)C)OC)C(C)C(OC)C(C)/C=C/I"]
["195929888","C=C(C)C(=N)OC(C)CCCCC(=O)C1C(S(C)(=O)=O)[C@H]1C"]
["154151938","C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@@]4(C)[C@@H]([C@@H](C)CC/C=C(/C)C(=O)OC)CC[C@@]24C)C[C@@]13CCC(=O)O"]
["33236194","COC(=O)/C(C)=C/CC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC3"]
["161898269","COC(C)COC(C)COC(C)CO.COCCOC(C)=O"]
["48588721","C=CCC/C=C/[C@H](OC)[C@@H](OCOC)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)CC"]
["98072038","COCOc1c(C(C)=O)c(C)cc2cccc(O)c12"]
["171609597","C=CCOC/C=C(\\C)C(=O)OC(C)Oc1ccccc1"]
["78408170","CCCCC=CCCCCCCCCC[C@H](C)OC(C)=O"]
["167365282","COCO[C@H]([C@@H](/C=C/C(=O)O[C@H]([C@@H](/C=C/C(=O)OCC(Cl)(Cl)Cl)OCc1ccccc1)C(F)(F)F)OCc1ccccc1)C(F)(F)F"]
["176957908","C/C=C1/C=CC(C)(C23CC4(C)CC(C)(C2)CC(C(C)(C)/C(C)=C/C(OC#N)=c2/cccc/c2=C/C)(C4)C3)C=C/C1=C(/C)OC#N"]
["79497197","C=C(C)C1C(CN2C(=O)C(c3ccncc3)(c3ccncc3)N(C)/C2=C\\C(=O)c2ccc(C#N)cc2)CC2CC1C2(C)C"]
["184031440","COC1=C(C(F)(F)F)CC(C#N)(c2ccccc2)C=C1"]
["189025643","CC(C)Oc1nc2nc(C34CC[C@@](C)(C3)OC4)cn2cc1C(O)=Nc1cccn(C2CC23CC3)c1=O"]
["194551756","Cc1cc(C#N)cc(C(O)=NC(C)(C)C)c1N=C(O)c1cc(OC2(C)CS(=O)(=O)C2)nn1-c1ncccc1Cl"]
["125210847","COc1ccc(S(=O)(=O)NC2(C#N)CCc3ccccc3C2)c(C)c1F"]
["191067923","CC(C)(C)OC(=O)N1c2ccccc2CC1(C)CC=O.O=C=O"]
["176032833","C=CC(=C\\C)/C(C)=c1\\cccc\\c1=C\\C"]
["MCULE-4145881177","CC1(c2cccc(-c3ccc(N=C(O)c4c(F)ccc(F)c4F)c(F)c3)n2)OCCO1"]
["24362051","CC(Sc1nc(C2CC2)nc2ccccc12)C(O)=NC(C)(C#N)C(C)C"]
["127846374","CCOC=C(C#N)C(O)=NC1CN(Cc2ccccc2)CCC1CO"]
["18762658","CC(C)[C@](C)(C#N)N=C(O)[C@@H](C)N1CCN(c2ccccc2)CC1"]
["30222152","CC(C)CC(C)N(CCN1CC(C)(C)NC(C)(C)C1=O)C1=NC2=NCCCCCCN=C(N2)N1"]
["49698362","CC(C)CC[C@@]1(C)N=C(O)N(CN2CCN(c3ccccn3)CC2)C1=O"]
["161073840","CCN1CCN(C(=O)C2CCCNC2)C(C)(C)C1=O"]
["14173972","C[C@@]1(c2cccc(C(=N)O)c2)N=C(O)N(CCCN2CCOC2=O)C1=O"]
["155399760","C[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)N(C)C"]
["59038596","CCCC(C)N=C(O)C1N([C@@H](CO)C(C)C)C(=O)[C@@H]2[C@H](C(O)=Nc3ccccc3)[C@@]3(C)OC12CC3C"]
["116386222","CCN=C(NCc1ccc(Cn2ccccc2=O)cc1)N1CC(C)(C)C1(C)C"]
["175438198","Cc1ncc2c(n1)N(C(C)C)C1(CCC1)C(=O)N2C"]
["112358850","CC(N)CCN1NC2(CCCC2)CC1=O"]
["136060874","C=C(C)CN(CC)CCN1C(=O)C2(CCCC2)N=C1O"]
["85821261","CCC(CCO)CN1C(=O)CC2(CCCCC2)C1=O"]
["189282470","CC(C)C[C@H](C(=O)N1C[C@]2(C[C@H]1C#N)C(O)=Nc1ccccc12)n1cccc(NS(=O)(=O)C2CC2)c1=O"]
["97895918","CCB(CC)C1=C(CC)C2C3(B(CC)CC)C(CC)=C[Si](C)(C)C3C1[Si]2(C)C"]
["86016944","CCc1nnc(N2C3CCC2CC(O)C3)c(C#N)c1CC"]
["179978133","CCC1=C(C)C2CC(F)=CC=C2N1"]
["93671434","CCNC(Cc1cnn(CC)c1)c1cc(C)nnc1CC"]
["85536617","CCOc1ccc(OCC=CCS)cc1"]
["85728547","CCNC(c1ccc(Br)o1)c1cc(Cl)ccc1OC"]
["61232776","CCC1=C(S(=O)(=O)C(C)(C)C)C2C=CC1C2"]
["115827347","CCOc1ccc(/C=C2/N=C(C3CCC3)N=C2O)cc1"]
["170968124","CCCc1cc(C)c(-c2cc3c[nH]c(=NC(=O)C4CC4(F)F)cc3n3nc(CC)nc23)cn1"]
["45597545","CCOCC.OC1(O)C=CC(c2ccccc2)C=C1"]
["69801357","CCC1=C(CC)C2C3OC(c4c(OC)ccc(OC)c43)C12"]
["164469386","CCC1=C2C(=C3C=CCCC32OCOC)C=CC1"]
["185561909","C1=CC=C[N+]=1C1=C[S-]=N[N-]1"]
["187273897","Nc1nc(Cl)c[n-]c1=S.[Na+]"]
["53778675","COC[C@H](N)C[N+]1=C=CC=C1"]
["180564945","Clc1ccc(C2=C[N+]3=C=CC=CC3=N2)cc1"]
["174387542","Clc1ccnc(Cl)c1C1=CC=C=CC=C1"]
["34146968","C[N-]c1ccc2nc3ccc(=N)cc-3sc2c1.[Cl-].[Zn+2]"]
["90851304","[O-][N+]1=CC2=C3C=CC=[N+]([O-])C3C=CC2C=C1"]
["42601956","CC1=C=CC=N[N-]1.[Y]"]
["73996479","N#C[N+]1=C=CC=[S-]1"]
["182129504","C1=CC=N[N-]N=1"]
["178687792","O=C1CCCC(=O)N1CCC1=C[N+]2=C=CC=CC2=N1"]
["99691746","CC1=CCNC([O-])=C1.C[N+](C)=[N+]1C=CC=C=C1[O-].Cl"]
["52164365","[2H]N1C([2H])([2H])C([2H])([2H])COP1(=O)N(C([2H])([2H])CCl)C([2H])([2H])C([2H])([2H])Cl"]
["52322996","O=C(Nc1ccc([N+](=O)[O-])cc1)N(O)C1CCOP(=O)(N(CCCl)CCCl)N1"]
["179505463","CCCN1CCCN(CCCl)P1(=O)Cl"]
["172862992","NC1(OO)CCOP(=O)(CCCl)N1CCCl"]
["22903919","O=c1oc2ccccc2n1CCCN1CCN(Cc2ccc(Cl)s2)CC1"]
["91356231","CC1=C(C)OP(=O)(CCl)C1"]
["68800914","COC1CCN(S(=O)(=O)c2ccc(CCCl)s2)CC1"]
["162039292","O=P1(CCCCl)OCCS1"]
["67337413","[2H]C([2H])(CCl)N(C([2H])([2H])CCl)P1(=O)NC([2H])([2H])C([2H])([2H])C([2H])([2H])O1"]
["61290203","O=S(=O)(c1ccc(CCCl)s1)N1CCOCC1"]
["74083714","COC1CCO[P](O)(N(CCCl)CCCl)N1"]
["62374173","CCN1CCOP1(=O)N(CCCl)CCCl"]
["154665781","C1=C=NC=C(c2ccc3c(n2)/C(=C2/N=c4cncc(-c5ccoc5)c4=N2)NN3)C=1"]
["154667789","C1=c2c(-c3ccoc3)cccc2=N/C1=C1\\NNc2ncc(-c3cccnc3)cc21"]
["MCULE-1027458406","OC(=Nc1ccccc1C(F)(F)F)c1ccc(F)cc1-c1ccoc1"]
["154656398","C1=c2c(N3CCCCC3)cccc2=N/C1=C1/NNc2ccc(-c3cncc(CNCC4CCCC4)c3)nc21"]
["52086357","Cc1cc2nc(-c3ccoc3)n(CCC(=O)O)c2cc1C"]
["147777069","CC(C)C(O)=Nc1cncc(-c2cc(F)c3c(c2)/C(=C2/N=c4nccc(-c5cccs5)c4=N2)NN3)c1"]
["147777586","CC(=O)c1ccc(-c2ccnc3c2=N/C(=C2/NNc4cc(F)c(-c5cnccc5C)cc42)N=3)s1"]
["MCULE-2375991625","COc1cc(C(O)=Nc2cnc(OC)c(-c3ccoc3)c2)ncc1C"]
["MCULE-9186278210","Cn1cc(-c2ccoc2)c(=NC(=O)c2ccc(C(F)(F)F)cn2)[nH]1"]
["MCULE-1743223235","COc1cnccc1C(=O)Nc1ncc(-c2ccoc2)c(C)n1"]
["184028781","Cn1cc(-c2nc(N=[N+]=[N-])ncc2-c2ccoc2)c2ccccc21"]
["147778202","CN(C)CC(O)=Nc1cncc(-c2ccc3c(c2)/C(=C2/N=c4nccc(-c5cc(O)cc(F)c5)c4=N2)NN3)c1"]
["1130928","C=CC1CC2C=CCOP(=S)(O1)O2"]
["23759179","C=CCOC1COc2ccccc2OCC(OCC=C)COc2ccccc2OC1"]
["188006346","C1=CC2OC2CC1.C=CC/C=C/C(=O)O"]
["172178630","C=C[C@H]1C[C@@H](C(C)C)CO1"]
["104436364","C=CCC1([C@H]2C=CCC2)C(=O)N(C)C(=O)N(C)C1=O"]
["91681669","C=CC1=CC(=[Si]2c3ccccc3-c3ccccc32)C(C=C)C=C1"]
["176358370","[B]C1C=C(F)C(/C=C/C2C=CNC2C=C)=CCC1"]
["183906371","C=CC1CCC(N=[N+]=[N-])C(C=C)C1"]
["96888580","C=C[C@@H]1C[C@H](c2ccccc2)OC1(C)C"]
["147876237","S=P1([S-])CP(=S)([S-])OCCCO1"]
["62991810","S=P1(c2ccccc2)OCC=CCO1"]
["32670125","C=CC[C@@H]1O[C@@H](C=C)C[C@H]1c1ccccc1"]
["169890477","BC1C=CC(/C=C/P(O)O)CC1OO"]
["84180167","O=C(Cl)C1C=CCC1"]
["22871499","COc1cccc(C2N3CCCN23)c1OC"]
["96737052","OO[C@@H]1CCCC2=CCCCC21"]
["52755476","CC1C=CC(COO)C1"]
["49623526","CC(=O)Oc1cc2c3c(c1OC(C)=O)C1(CCCC1)CCC3N(C)CC2"]
["167168459","COCO[C@@H]1C[C@H](COC)C=C[C@H]1CO"]
["86045114","COc1cc(NC2CCCCC2O)cc([N+](=O)[O-])c1"]
["59065464","CCOC(=O)C=CC1C=CC(O)=C(O)C1"]
["171107193","O=C(C1(O)C=CC=CC1C1CCCCC1)C1(O)C=CC=CC1C1CCCCC1"]
["167246341","OOC1CCCC[C@@H](Br)[C@@H]1Br"]
["174009670","CC[C@H]1C=CC(Br)CC(CC(O)O)C1"]
["62882737","[CH+]=C1C=[C]C2N=CC=C(C[CH-])C2=C1"]
["180904548","OCC1=CC=NC2CC12"]
["63220726","Cc1nnc(N2CC(O)CC2CN(C)C)c2ccccc12"]
["98443984","O=C1C=C2C=C3CCNCC3=NC2CC1"]
["182031753","[N-]=[N+]=NC1=CC=NC(C(F)F)C1(F)Cl"]
["167248210","CCC1=CC2=C(Cl)C(=O)C[C@H]2[C@H](C)C=C1"]
["179393913","CCC1=CC(C)CC(C=O)=C1"]
["20245410","CN(CCO)C(=O)[C@@H]1N=C(C2=CC=C[C@@H]3N=CC=C23)NO1"]
["178440214","NC1CC2=CC=C=C1C2"]
["175748820","O=C1NCCC2N=CC=C12"]
["80594580","N#CC1C(=O)N=CC=C1[O-]"]
["90779563","CC[Si](CC)(CC)OC12C#CC=CC#CC(O)C(=CC(=O)C1)C2=O"]
["171391833","Cc1csc2c1S(=O)(=O)c1c-2sc(-c2sc3c(sc4c(C)csc43)c2C)c1C"]
["141780079","CCOC(=O)c1c(C)csc1N=C(O)c1scnc1C"]
["179259379","C=I1=CC=CC=C1c1nc(OC)c2scc(C)c2n1"]
["MCULE-4807583843","Cc1csc(C)c1N=C(O)c1nccnc1C"]
["162991477","CSc1ccc2c(C)csc2c1C=O"]
["125490734","Cc1c(C(=O)N2CCS(=O)(=O)C(C)C2C)csc1Br"]
["163274288","Cc1csc(N2CCCCC2)c1C(=O)O"]
["162813655","Cc1c(CC#N)ccc2c(Cl)csc12"]
["MCULE-8918615427","Cc1csc(C)c1N=C(O)Cc1cc(-c2cccc(N3CCOCC3)c2)ccc1F"]
["74876454","CCc1csc2c(C)csc12"]
["163172455","Cc1csc2c(CBr)c(CC#N)ccc12"]
["64428597","Cc1csc2c(N(C)C=O)cc(Cl)cc12"]
["179809064","C=C(NCC(F)(F)C(F)F)S[C@@H](SC(=C(C)C)N(CCC(F)(F)C(F)(F)C(F)CCC(F)F)C(S)=NCC(F)(F)C(F)(F)C(F)(F)C(F)C(F)F)N(S)S"]
["180369266","C=C(NCC(F)(F)F)NC(CC)CCCC(C)(C)C"]
["139450411","CCCC(NC(O)=NCc1ccc(F)cc1)C(=O)OCC(F)(F)C(F)F"]
["26267957","CCCCC(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](O)(O)O"]
["26280106","N=C(N)CCCOc1nccc(=NC(=N)NCC(F)(F)C(F)F)[nH]1"]
["113184646","CCC(N)(CC)C(O)=NCC(F)(F)C(F)F"]
["169304426","FC(F)(F)CNNC(S)=NCc1ccccc1Cl"]
["88877549","C=C(C)C1NCCc2ccc(F)c(C(F)(F)F)c21"]
["113188138","CCCC(CN=C(O)NCC(F)(F)C(F)F)C(=O)O"]
["73646590","OC(=NCCC(c1ccccc1)c1ccccc1)N(S)c1ccc(Cl)c(C(F)(F)F)c1"]
["113184312","N=C(S)NCC(F)(F)C(F)F"]
["113187412","CC(C(=O)O)=C(C)C(O)=NC(O)=NCC(F)(F)C(F)F"]
["184540669","[O-]S([OH2+])=c1ccc2c3n(cccc1-3)[I+]O2"]
["27229691","CS(=O)c1ncc2c(n1)-c1ccccc1OC2"]
["107259240","Cn1cccc1CCCCn1cc(N)cn1"]
["120528902","CC(C)n1cncc1-c1ccccc1CCC(=O)O"]
["153231826","Cc1ccc(O)c(C2=NN3[C@H](CC(C)C)Oc4ccccc4[C@@H]3C2)c1"]
["26658922","COc1cccc2c1N(N)CO2"]
["128218608","CN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)nn1"]
["25965041","CC(CC(=O)O)C(=O)c1ccc(-n2cnc(CCCN3C(=O)c4ccccc4C3=O)c2)cc1"]
["48017737","Cc1ccc(-n2nc(C)c(N=C(O)C3Oc4ccccc4OC3C)c2C)cc1"]
["MCULE-3064584749","Cc1ccc(C)c(-c2ccc(N=C(O)c3cc(C)nn3C)cc2C)c1"]
["18564349","CN(Cc1ccco1)C(=O)CCCN1C(=O)c2ccccc2C1=O"]
["94832150","CC(CS(C)=O)n1cccc1C(=O)O"]
["176578913","ON=C(O)/C(O)=C/c1c(O)c(O)c(O)c(SNc2c(O)cc(O)c(O)c2O)c1O"]
["1529029","Cc1ccc(N=C(O)/C(C#N)=C\\c2ccc(C)c(F)c2)c(C)c1"]
["51472674","O=C(O)C(O)c1cc(O)c(O)c(F)c1"]
["143466644","CC(C)N=C(O)C(C#N)=Cc1ccc(O)c(F)c1"]
["1581451","CCN=C(O)c1cc(NS(C)(=O)=O)ccc1O"]
["6347201","C[C@@H](CCc1ccco1)NC(=O)C(O)=Nc1ccc(CC(=N)O)cc1"]
["148563809","CSc1ccc(Cl)cc1S(=O)(=O)c1c[nH]c(C(=O)O)c1"]
["77103127","COC(CCC=CC(O)=NO)C(OC(=O)Nc1ccc(SC)cc1)c1cc(I)ccc1O"]
["12235966","OC(=Nc1ccc(F)c(Cl)c1)c1cc(-c2cccc(O)c2)on1"]
["98434459","CC(NC(=O)C(N)=NC=Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(F)cc1"]
["44927515","Cc1ccc(N=C(O)C2(N)CCCC(C)C2)cc1I"]
["182514001","[N-]=[N+]=Nc1ccc(NC(O)=NO)cc1"]
["67970454","O=C=NC1CCCCC[N+]1(C(=O)N1CCCCCC1[NH+]=C=O)C(=O)N1CCCCCC1[NH+]=C=O"]
["MCULE-7105661465","COc1ccc(-c2csc(CCC(O)=NC(Cc3ccc(F)cc3)C(=O)N3CCCCC3C)n2)cc1"]
["158096191","O=C(C#CBr)N1CCC[C@@H]2C(O)=NC[C@H]21"]
["124008145","CN=C(O)c1cccc(CCN=C(O)N2CCCCCC2c2ccco2)c1"]
["174278921","O=C(NC1CCCCC1)c1c(O)c(=O)ccn1C1CC1"]
["84066769","O=C(O)c1nnc(N2CCCCC2)nc1O"]
["17903076","COCCC(O)=N[C@H](C)C(=O)N1CCCC[C@H]1C"]
["12857513","C[C@H]1CCCCN1C(=O)CSC(=[NH2+])NC[C@H]1CCCO1"]
["43069477","CC(Sc1nnc(N2CCCCC2)n1C1CC1)C(O)=NC1CCCCC1C"]
["87085720","CC1CCOC1C(=O)N1CCCCC1C#N"]
["110455474","CN=C(O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1"]
["132243536","O=C(C=Cc1cccc(C(F)(F)F)c1)N1CCCCCC1c1ncon1"]
["91059363","O=C(c1ccc2c(c1)C(=O)N=C2O)c1ccc2c(c1)C(=O)N(c1ccc(C3C=CC=C(C(F)(F)F)C3=C(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)C2=O"]
["MCULE-8260793637","CC(C)N1C(=O)c2ccc(C(O)=NC(Cc3ccc(F)cc3)C(O)=NCC(c3ccc4c(c3)OCO4)N3CCOCC3)cc2C1=O"]
["MCULE-2871817469","Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CC5(C)CNCC(C)(C4)C5=O)cc3C2=O)c1"]
["199546812","CC(C)(C)OC(O)=Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl"]
["23648627","O=C(O)c1cccc(N2C(=O)c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc6c(c5)C(=O)N(c5cccc(C(=O)O)c5)C6=O)cc4)cc3C2=O)c1"]
["MCULE-9755312142","O=C(C(Cc1ccc(F)cc1)N=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)N1CCC(c2ccco2)C1"]
["198066367","CC(C)(C)c1cc(CN=C(O)c2ccc3c(c2)CN(C2CCC(O)=NC2=O)C3=O)on1"]
["197068362","Cc1ccc(N2C(=O)N=C(O)C(=C3N=C(C(C#N)C(=O)Nc4ccc(Cl)cc4)c4ccccc43)C2=O)cc1"]
["MCULE-2471346405","Cc1cccc(N2C(=O)c3ccc(C(O)=NC(CSCc4ccccc4)C(O)=NC(C)c4nnc(-c5cccc(F)c5)o4)cc3C2=O)c1C"]
["155309565","Cc1ccc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1C(F)(F)F"]
["193726517","O=C1CN=C2c3c(cc(F)cc31)N=CC(c1ccc(CN3CCC3)cc1)C2c1ncnn1CCCO"]
["MCULE-3543630955","COc1ccc(C2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1O"]
["110927864","O=C(O)C1=C=C=C(C2=C=C=C(C3=[C]C(C4=C=C=C(C5=C=C=C(C(=O)O)C#C5)C#C4)=[C+]C(C4=C=C=C(C5=C=C=C(C(=O)O)C#C5)C#C4)=C3)C#C2)C#C1"]
["4220443","C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2)c2ccccc21"]
["95097390","Cc1cc(Cl)c(NS(=O)(=O)c2csc(C(=O)O)c2)cc1Cl"]
["123712209","CCOCC1CCN(C(=O)C(O)=Nc2ccc3c(ccn3CC(C)C)c2)C1"]
["111601365","Cc1ccccc1CNCc1cc(C(=O)O)no1"]
["77944870","O=C(O)C1=CC(=O)C2=C(Cl)C=CC(Cl)C2=N1"]
["120910473","CNC(c1ccccc1C)C1(C(=O)O)COC1"]
["107802966","COC(=O)CN=C(O)[C@@H](N)c1cccc(O)c1O"]
["102935611","Cc1nc2c(nc1C(=O)O)=C(N)NS(=O)(=O)N=2"]
["174453375","CC1=CC(C(=O)O)=NCC(S)=N1"]
["86900336","C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)O)c1)C1CCCCCC1"]
["195489113","O=C(Nc1ccc(C(=O)O)cc1)C1=CC(O)C(=O)C(O)=C1"]
["179852358","CCS1(C)N=NC(c2nnc(N[C]=O)s2)=C1C.[Al].[CH2]"]
["184389321","C=CCc1ccc(-c2nnc(C)s2)cn1"]
["143901198","CCc1nc(C)c(C(C)N(C)C(=O)C=Cc2cccc([N+](=O)[O-])c2)s1"]
["195642793","C[C]=O.O=[C]Nc1ccccc1O.[Al]"]
["11907065","Cc1nnc(N=C(O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)s1"]
["112859338","CCCN(CC)CCn1c(C)nnc1C(=O)OCC"]
["66676084","CCc1nnsc1-c1nnc(C(C)N)s1"]
["122693868","CCCn1c(C)nnc1CNC(C)c1sc(-c2ccc(C)cc2)nc1C"]
["87729912","CCCCc1c(C(=O)O)nnn1-c1nnc(C)s1"]
["190078771","CCOP(=O)(OCC)C(Nc1ncc(-c2cc3ccccc3oc2=O)s1)c1cc2ccccc2nc1Cl"]
["76619042","CCn1cc(C=CC(=O)c2cc(C)sc2C)c(C)n1"]
["2499699","CCCN(CCC)C(=O)c1csc(Nc2nc(C)cc(C)n2)n1"]
["74975841","C1=[N+]c2cnncc2S1"]
["87996657","Clc1nncc(-c2cc(Br)cs2)n1"]
["81864884","CC(C)(C)c1nsc2cnncc12"]
["197365601","CN(C)c1ncc(CC(C)(C)N)s1"]
["154609258","Cc1csc(-c2cnc(C)n(C)c2=O)n1"]
["25832460","O=c1cnnco1"]
["172525635","O=C1CC(=O)c2cnncc21"]
["162164495","CC(=O)c1cc2cnncc2s1"]
["199509798","ClC(Cl)c1ccnnc1"]
["161773033","C=C=C1CN=CS1"]
["115253199","Fc1cc(F)c(N2CCCCCC2)nc1F"]
["25672345","Brc1cnns1"]
["178942380","[B]C1CC(c2nnc(C3CCC(C4=N[N-][C-](C(C)C)O4)C4C([B+])CCC([B+])(C5CCCCCCCC5)C34)o2)CC(C(C)C)C1"]
["114076290","CCCNC(CC)c1nnc(C2CCCCC2(C)C)o1"]
["27647084","CC(O)=N[C@@H](Cc1cccc(F)c1)[C@@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(C(O)C(C)C(F)(F)F)cc21"]
["130294313","Cc1nc(-c2ccc(CC(O)=NC(C)c3nc(C4CCCC4)no3)cc2)cs1"]
["13013023","C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O"]
["13656884","CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C3CC3)o2)c1C"]
["96624934","[2H][C@]1(C2=N[C@@H](C(C)C)CO2)OC12CCCCC2"]
["142380735","CCC(CC)S(=O)(=O)N=C(O)CCc1nnc(C2CCCC2)o1"]
["23490437","COc1ccc(CN=C(O)N2CCCC(c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1"]
["85480083","CC(C)N1C(O)=NC(=N)C1(C)C1CCCC1"]
["178665029","CC(C)CC1(C)CC(C(C)C)CC1C(C)C1(C)CC(C(C)C)CC1(C)C1CCCC(C(C)C)C1"]
["125892089","CC(NC1CCC(C)(C)CC1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1"]
["77883455","O=NC(NO)=c1ccc(=c2ccc(=c3ccc(=C(NO)NO)o3)cn2)cc1"]
["128660399","CCOC1CC1C(=O)OCc1ccc(Br)cn1"]
["21088410","CN(C)c1ccc(N=C(O)CCNS(=O)(=O)c2cccnc2)cn1"]
["120742251","CC(C)N=C(O)N(C)c1ccc(Br)cn1"]
["114082649","O=[N+]([O-])c1cc(Cl)c(Cl)c(C(O)=Nc2ncccc2Cl)c1"]
["133096265","O=C(NCC1CCOCC1)C(=O)Nc1cccnc1Br"]
["199008667","CC(=O)N(C)c1ccc(NCc2nn(C)cc2Br)cn1"]
["32060292","C[Si](C)(C)c1cnc(/C=C/c2cnc(NC(O)=Nc3ccccn3)s2)o1"]
["136603135","O=[N+]([O-])c1ccc(C(O)=Nc2cnc3ccccc3n2)c(Br)c1"]
["4909618","CN(C(=O)c1ccco1)[C@H](c1ccc(F)cc1)c1ncccn1"]
["15088045","O=C(NN=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccc(Br)o1"]
["177964203","Brc1cnn(CC2CN(c3ncccn3)C2)c1"]
["161790272","CC1(C)C=C(SC2=CC(=S)CC(C)(C)C2)C=C(SSC2=CC(C)(C)CC(SC3=CC(=S)CC(C)(C)C3)=C2)C1"]
["90676616","CC1CCC2C1=CC(C)(C)CC1CC12C"]
["185806946","CC1=CC(C)=C(C)CC1(C)C"]
["84104582","CC1=C2C(=O)CC(C)(C)CC2=CC(C)(C)C1"]
["172226309","CC1(C)C=C(C2(C)CCCC2(C)C)C=C(C=O)C1"]
["43441906","CC1(C)CC(=N)CC(=S)C1"]
["184967460","COC1=CC(C)(C)CC=C1"]
["178263195","CC1=CC(CC2(C)CC(C)=C(C)C=C2C)=C(C)CC1(C)C"]
["56015188","CC(C)NCC1(c2ccc(F)cc2Cl)CCC1"]
["161558145","CC1(C)CC(=O)C=C(c2ccc3[nH]nc(C4=C=CC=NC(N5CCOCC5)=C4)c3c2)C1"]
["13112101","Cc1cc(C)cc(NC2=CC(=O)CC(C)(C)C2)c1"]
["32388503","C=CC/C=C1\\C(C)=CC2(CC1(C)C)OCCO2"]
["44537557","O=S1(=O)OC(F)(F)C1(F)CC(F)(Cl)CC(F)(Cl)CC(F)(Cl)CC(F)(Cl)CCl"]
["172120078","CC(C)(C)OC(=O)N=C1N[C@](C)(c2cc(C#C[Si](C)(C)C)ccc2F)CS(=O)(=NCC(F)(F)F)C1(C)C"]
["26871253","FC(F)(F)C1(F)OC(F)(Cl)C(F)(Cl)OC1(F)C(F)(F)F"]
["75886838","CCCN(CCC)C(=O)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["75332633","FC(F)(Cl)CCCSC1(Cl)NC=CS1"]
["149974446","CCC1(O)OS1(=O)=O"]
["98443621","O=PP=O.O=S1(=O)CC(F)(F)O1"]
["197177428","CC(C)(CCl)C(=O)N=S1(=O)CCOCC1"]
["79431810","C/C(CC(C)(C)CC(C)(C)CCl)=C(/Cl)P(=O)(O)O"]
["106215571","FC(F)(F)C[C@@](F)(Cl)CCl"]
["61470556","O=C([O-])C(Cl)(Cl)CCl.[Na+]"]
["197162159","CC(C)(Cl)c1cn(C(F)(F)CO)nn1"]
["76239890","[1CH3][1C]1=[1CH][1CH2][1C@@H]2[1C@H]([1CH2]1)[1CH2][1C@@H]([1CH3])[1CH2][1C@@H]2[1NH][1CH2][1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239811","[1O]=[1C]1[1O][1CH]([1CH2][1c]2[1cH][1cH][1cH][1cH][1cH]2)[1C]([1OH])=[1C]1[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239837","[1CH3][1C]([1CH3])([1CH3])[1CH]1[1O][1C](=[1O])[1CH]([1CH2]S([1CH3])(=[1O])=[1O])[1N]1[1C](=[1O])[1O][1CH2][1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239782","[1CH3][1CH2][1O][1C](=[1O])[1C@H]1[1C@H]([1CH]2[1CH2][1O][1C](=S)[1O]2)[1N]1[1CH2][1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239672","[1CH3][1C]1([1CH3])[1O][1CH]([1CH2][1O][1CH2][1c]2[1cH][1cH][1cH][1cH][1cH]2)[1CH]([1CH]([1OH])[1C]([1F])([1F])[1F])[1O]1"]
["76239899","[1CH3][1O][1C](=[1O])[1C]([1N]=[1C]([1OH])[1O][1CH2][1c]1[1cH][1cH][1cH][1cH][1cH]1)=[1C]1[1CH2][1CH2][1CH]([1C]([1CH3])([1CH3])[1CH3])[1CH2][1CH2]1"]
["76239806","I[1c]1[1cH][1cH][1cH][1cH][1c]1[1NH][1CH]([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239885","[1O]=[1C]([1c]1[1cH][1cH][1cH][1cH][1cH]1)[1CH]1[1N]=[1C]([1OH])[1C@@H]2[1CH2][1CH2][1CH2][1N]2[1C]1=[1O]"]
["76239872","[1CH3]/[1C](=[1N]\\[1OH])[1CH]([1CH2][1C](=[1O])[1N]1[1CH2][1CH]([1CH3])[1O][1CH]([1CH3])[1CH2]1)[1c]1[1cH][1cH][1cH]s1"]
["76239692","[1CH3][1CH2][1N]([1CH2][1CH3])[1c]1[1cH][1cH][1c]([1NH][1CH2][1c]2[1cH][1cH][1cH][1cH][1c]2[1OH])[1cH][1cH]1"]
["76239869","[1O]=[1C]1[1N]2[1CH2][1CH2][1CH2][1C@H]2[1C]([1OH])=[1N][1C@@]1([1OH])[1C@@H](Br)[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239740","[1CH3][1N]1[1C](=[1O])[1C@H]([1CH2][1c]2[1c]([1OH])[1cH][1cH][1cH][1c]2[1OH])[1N]=[1C]([1OH])[1C@@H]1[1CH2][1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["168478978","CC(C)(C)[Si]1(C(C)(C)C)[Si+]2[Si]3([Si]4=[Si-](C(C)(C)C)(C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)[Si]45[Si]4=[Si-](C(C)(C)C)(C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)[Si]43[Si+]3[Si](C(C)(C)C)(C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)[Si]235)[Si]1(C(C)(C)C)C(C)(C)C"]
["183869594","CC(C)(C)[C@H](O)CCc1ccc(C(F)(F)F)nc1"]
["15277909","CC(C)[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1"]
["69867415","CC(C)(C)[Si]1=[Si-](C(C)(C)C)(C(C)(C)C)[Si+](C(C)(C)C)[Si]1(C(C)(C)C)C(C)(C)C"]
["100386491","CC/C=C\\CC(O)C/C=C1\\CC(CCO)=CC1=O"]
["87504326","CC(C)(C)C(CC(=O)O)N=c1cc[nH]c(C(N)=O)c1"]
["179611144","CCCC[C@H](O)C/C=C/[C@H]1C(O)CC2I=C(CCCCC(N)O)CC21"]
["162261751","CC#CCC(O)C/C=C/C"]
["59857501","CC[C@H](O)CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1"]
["100386567","CC/C=C\\C[C@H](O)C/C=C1\\CC(CCO)=CC1=O"]
["32841754","COC(=O)CC(=O)C[C@H](O)CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1"]
["113243622","CC(C)(C)C(CCO)N=c1cc[nH]c(C(=O)O)c1"]
["52049357","CPNc1c(C)c(C)c(C)c(C)c1C#CC(C)OPC"]
["5145216","COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C"]
["162192020","Cc1ccc(C#CC(C)O)cc1C"]
["144952491","COc1c(Cl)c2c(c(C)c1C(C)N)CCCC2"]
["88256364","Cc1ccc(C#CCN)c(NS(=O)(=O)CCOC(C)C)c1"]
["82281188","Cc1c(C)c(C)c(NCCNC(CNc2ccccc2)c2ccccc2)c(C)c1C"]
["327581","CCC(C)C#Cc1c(C)[nH]c(=N)[nH]c1=N"]
["151141318","COC(=O)[C@@H](C)n1nnc([Si](C)(C)C)c1C"]
["159253729","Cc1c(CC#N)cc(F)cc1OC(F)F"]
["157866244","COC[C@H](C)Nc1c(C)noc1C"]
["92893707","Cc1ccc(C(N)COC(C)C)o1"]
["8085964","CC(C)c1cccc(C(C)C)c1C#N"]
["175648329","CC1[B]N(B2C(C)CCN2B2NCCC2C)CC1"]
["111314289","C[C@H]1CN(C2CCC23CCCCC3)CCN1"]
["84560238","CNC(C1CCC(C)CC1)C(C)(C)N1CCCCC1"]
["162388173","CC1CCCN1C[C@H]1CCCNC1"]
["160801913","CC(C)CN1CCC[C@@H]1CN=C(O)N1CCCC(O)C1C"]
["183137968","CC1CC=C2NCCC2C1O"]
["159210641","C[C@@H]1NCC[C@H]1CN1CC[C@H]1C"]
["197689766","C[C@@H]1CN(C(=O)C2CCCC2)CCN1.Cl"]
["87140634","CC1CC(N=c2cc[nH]cc2)CCN1C"]
["162838607","CC(C)C(C)N1CCNCCC1C"]
["173031872","CC1CCC[C-](C2(C)CCCCC2)CC1.[Cr]"]
["174673199","CCCCCC1NCCC1N"]
["179585001","CC#CC12CC3CC([C-]=[C-]C)(C1)CC(C#CC)(C2)[I+]3"]
["100841197","CC#C[C@]1(C)CCC=C[C@@H]1C=O"]
["156774074","CC#CCN[C@H]1C[C@H](C)CC(C)(C)C1"]
["162382676","CC#CC1(O)CCC(CC)CC1"]
["163115980","CC#CC1(N)CCC(C)CC1"]
["178347453","CC#CC12CCC(C1)N=C2OC"]
["25317217","CC#CC1(C)C[Si](C)(C)C1CC(C)(C)C"]
["158409771","CC#C[C@]1(F)C[C@H](N)C1(C)C"]
["173694764","COC1(C(C)C)CC1C(F)(F)F"]
["162646166","CC#C[C@]1(C)C[C@H]1Br"]
["162528913","CC#CCN1CC(F)(F)CC1CO"]
["195323043","CC#CC1(N)CCC(C(=O)CC)C(C)C1"]
["74385594","C=C1[C](C(F)OC(C)C)C(C(F)OC(C)C)=CC(C(F)OC(C)C)=C1C(F)OC(C)C"]
["159231998","CCOc1c(C(=O)Cl)ccc(C#N)c1OC(F)F"]
["101080953","C=C1C=C(C)N(c2c(C(C)C)cccc2C(C)C)[SiH2]N1c1c(C(C)C)cccc1C(C)C"]
["75856317","CCN(C)/C=N/c1cc(C)c(OCC(F)(F)C(F)F)cc1C"]
["95357254","CC(C)OC(O)=Nc1ccc(C(F)(F)F)nc1"]
["194024228","COc1ncnc(OC)c1-n1c(CS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2cnc(C)cn2)nnc1[C@@H]1CCCO1"]
["145390301","COc1cnc(CF)cc1C(F)F"]
["28740038","Cc1ccc(C(O)=NC2CC2)cc1N=C(O)c1cnc(OC(C)C)s1"]
["111409101","CC(C)C1CCC(O)(Cc2cc(Cl)ccc2F)CC1"]
["103165991","Cc1ccccc1N=C(O)[C@H](C)OC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C"]
["182823420","CCCCCCCCOc1ccc(N=[N+]=[N-])c(C(F)F)c1"]
["147804083","CC(C)OC(C#Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1"]
["191327432","FC1(F)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(OC(Cl)Cl)C1(Cl)Cl.FC1(F)C(Cl)(Cl)C(F)(F)C(Cl)(OCCl)C(Cl)(Cl)C1(Cl)Cl.FC1(F)C(F)(F)C(Cl)(Cl)C(Cl)(OC(Cl)Cl)C(Cl)(Cl)C1(F)F"]
["MCULE-7335028117","COc1ccccc1-c1ccc(C2C(CCCl)C2(F)F)cc1"]
["5751462","FC1(F)C(F)(F)[C@](F)(Cl)[C@@]1(F)Cl"]
["32975544","FC(F)(OCCl)C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["MCULE-8530797895","COCc1ccccc1-c1ccc(N=C(O)C2CCC(F)(F)CC2)cc1OC"]
["120410339","CN(CCOCCCl)C(=O)C1CCC(F)(F)CC1"]
["23335280","OC(CC1SC(=N/N=C2\\CCCc3ccccc32)N=C1O)=Nc1ccccc1F"]
["159955546","FC1(F)C(F)(F)C(F)(Cl)C(F)(Cl)C1(F)F.FC1(F)C(F)(F)C(F)(F)C(Cl)(Cl)C1(F)F"]
["74779138","O=C(O)CC(CC(=O)OC(=O)CC(CC(=O)O)C1C=CC(F)(Cl)C=C1)C1C=CC(F)(Cl)C=C1"]
["191327435","FC1(F)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(OC(Cl)Cl)C1(Cl)Cl"]
["91669971","FC1(F)C(F)(F)C(F)(F)C(Cl)(Cl)C(F)(Cl)C1(F)F"]
["104889132","F[C@]1(Cl)C[C@H]1OCCl"]
["64083038","[GeH3]O[Ge-]1O[GeH2]O[Ge](=[O+][GeH3])O[Ge]2(O[Ge-]=[O+][Ge-](O[GeH3])O[Ge](=[O+][GeH3])O2)O1"]
["60314902","[GeH3]O[Ge]12O[Ge-]=[O+][GeH2]O[Ge](O[Ge-]=[O+][GeH2]O1)O2"]
["70442249","[Ge-]=[O+][Ge]1=[O+][Ge-]=[O+][Ge-]([O+]=[Ge-])O[Ge]2(O[Ge-]=[O+][Ge-]([O+]=[Ge-])[O+]=[Ge]([O+]=[Ge-])O2)O1"]
["78312062","[S-]C1(C([C+](S)C2(S)CCCCC2)(C(CCCS)C2(S)CCCCC2)C2(S)CCCCC2)CCCCC1"]
["89673347","CNCC1(N2CCN(C3CC3)CC2)CCCCC1"]
["88195835","CC(CCC(=O)O)CN=C(O)C1(CN)CCCCC1"]
["60760946","CNC1CC(OCCCC(C)C)C12CCCCCC2"]
["111671715","OCC1(N=C(O)C(C(F)(F)F)C(F)(F)F)CCCCC1"]
["75061197","CCCC(N)CCCC1(S)CCCCC1"]
["92137396","C#CCCC(O)C1(OC)CCCCCC1"]
["182275942","CCON(OCC)OC(C)CCCS"]
["158220655","CN1C(=O)N(C[C@H]2CCCCS2)C(=O)C12CCCCC2"]
["181368321","CC(C)C1(C(Br)C(=O)[O-])CCCCC1"]
["47918871","CCCCCOC1CC(O)C12CCCCCC2"]
["169861420","CCC(CC(C)(CCCS)C1CC1)C(C)C"]
["175590944","O=C([N-]I)n1cc2[nH]cc3c(=O)nnc-3c-2[nH]1.[Al+]"]
["99732398","O=c1cccc2[nH]cc(CNCS)nc1-2"]
["185087948","N=c1nc2c(=O)[nH]nnc2c[nH]1"]
["27932355","CCCn1ccc(=N)[nH]1.O=C(O)c1c[nH]c2c1-c1ncncc1CCC2"]
["160529939","CC(C(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1)S(=O)(=O)C1CCOCC1"]
["99085859","COc1c(F)c(F)c(CN)c2c(=O)c(C(=O)O)c[nH]c12"]
["170682457","O=c1c(O)nc(=S)[nH]n1-c1nnc(-c2ccccc2)c(-c2ccccc2)n1"]
["108003792","Cc1ccc(-c2nc(=O)c(C(=O)N3CCCC[C@@H]3CN)c[nH]2)cc1"]
["45549928","O=c1nc(C(O)S(=O)(=O)O)nc2n(C3CCOCC3)[nH]cc1-2"]
["5634286","COC(=O)c1cc(-c2csc(N=C(O)/C=C/c3csc(C)n3)n2)c[nH]1"]
["199258191","CC1=CCN=c2[nH]cc(-c3ccccc3F)c2=C1N1CCN(C(=O)C(C)C)C[C@@H]1C"]
["46774177","CC(Sc1cc(Cl)ccc1Cl)C(O)=Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1"]
["195794772","CC(C)I=c1[cH-][n+](=IN)[n-][n-]1"]
["60640706","CCCCCN=C(O)C(C)Oc1cc(F)ccc1N"]
["22610411","C[C@@H](O)CNCc1cnc(-c2ccccc2)s1"]
["51749880","CC(C)I=c1cccc[cH-]1"]
["174909421","CC(O)C(O)C(O)C(O)C(=O)C(=O)c1ccccc1"]
["184214501","CC(C)I=c1cc(C(=O)N(C)C)cc(C(=N)O)[cH-]1"]
["159213221","CC(C)N1C[C@H]2CC[C@H]1[C@H](N)C2"]
["46711278","Cc1cc(C)nc(SC2CC(C(C)C)CCC2N)n1"]
["184265507","CC(C)I=c1ccc(CC(=O)N2CCNCC2)c[n-]1"]
["101752123","CCC(NP(O)N(C(C)C)C(C)C)OC"]
["93972350","CC(C)C1CCC(N)C(c2ccc(C3CCC3)cc2)C1"]
["90128515","CC(N)C(=O)c1nnsc1Br"]
["176149896","N#Cc1c(Cl)nc(Cl)nc1N1CC2(C1)SCc1sc(N)c(C#N)c12"]
["149419442","COc1ccc(OC)c(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCOCC3)C2=O)c1"]
["171987318","CCCc1nc(NCCO)c(C#N)c2c1CC(C)(C)SC2"]
["172776074","N#Cc1c(Br)cccc1N1CSC2=C1CCNC2"]
["81897445","N#Cc1c(N)ncnc1N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1"]
["18966663","Cc1ccc(Cc2c(SCC(=O)O)[nH]c(=N)c3c(N)nc(N4CCCCC4)c(C#N)c23)cc1"]
["170319120","C[C@H](Oc1nc(N2CCC3(CCN3C(=O)[C@@H]3C[C@H]3C#N)C2)c2cc(Cl)c(-c3ccc(F)c4sc(N)c(C#N)c34)c(F)c2n1)C1CCCN1C"]
["173757540","CCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1C.N#Cc1c(N)[nH]c(=N)[nH]c1=N"]
["93262827","Cc1cccn2c(=O)c(/C=C(\\C#N)[S+](=O)([O-])c3ccc(Cl)cc3)c(N3CCC(C(=N)O)CC3)nc12"]
["48473469","Cc1ccc(-n2c(N)c(C#N)c3nc4nonc4nc32)cc1"]
["170287702","N#Cc1c(N)sc2ccc(F)c(-c3c4c(c5c(N6C7CCC6CNC7)nc(OCCN6CC[C@H](O)C6)nc5c3F)COC4)c12"]
["313798","N#Cc1cc2c(nc1N1CCOCC1)sc1c(N3CCNCC3)nnnc12"]
["186007109","O[Br+]Cc1c[c-](COBr)[cH-][c-](C[Br+]O)[cH-]1"]
["66247922","CCc1cc(C(CC)(CC)c2ccc(O[Si](C)(C)C(C)(C)C)c(C)c2)ccc1CCC(C)(C)O"]
["104206485","CCO[C@H]1OC(C(=N)O)=CC[C@@H]1Br"]
["52053509","CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)C1=O"]
["161756727","CCCCCN1C2=NC=C(C(=O)OC)C(c3ccc(Br)o3)N2c2cc(C(=O)OC)ccc21"]
["46883625","OC(CBr)=Nc1ncc(C(F)(F)F)cc1Cl"]
["137455700","CCCC1CN(C(=O)c2coc(Br)c2)CCO1"]
["107558529","COc1cc(C(C)C)ccc1C(=O)[C@@H](C)Br"]
["60156134","Cc1ccc(C(=O)CN2C(=O)COCC2=O)c(C)c1"]
["91588820","C[Si](C)(C)OCCc1ccc[cH-]1.[Li+]"]
["193486838","Br.COc1ccc(C(=O)CBr)cc1OC"]
["156537638","CC[C@H](C)C(=O)c1cc(Br)c(C)cc1Br"]
["172337397","BrC1CCC2CCC1(N=NC13CCCC(CC1)C3)C2"]
["179734014","CC1([NH3+])CC2CCCC(C2)C1"]
["197295890","CC1CCCC(O)(C(C)(C)N)CC1"]
["113765562","COC1CCCC(CN)(N2CCN(S(C)(=O)=O)CC2)C1"]
["159930712","CC1(C)CCCC(C(=O)N2CCC23CCC3)C1"]
["183242189","[N-]=[N+]=NC12CCC(CCC1[N+](=O)[O-])C2"]
["75540548","N=C(O)CC12CCCC(CCC1)C2.[CH2]"]
["MCULE-2274311981","CC1(c2c(C3CCC3)nn(C(C)(C)C)c2Br)CC1"]
["148379396","O=C(O)[C@@]12CCC[C@H]1CN(C(O)=NCCOC1CCCC1)C2"]
["6645115","COC(=O)c1c(N=C(O)CN2C(=O)N(C)C3(CCCCC3)C2=O)sc2c1CC[C@H](C)C2"]
["159646660","Cn1cc(C2CCCN2CC(O)=NC23CC4CC(CC(C4)C2)C3)cn1"]
["159113119","NNC(S)=N[C@@]12CCC[C@H]1C2"]
["161748019","[2H]c1nc2[nH]c([2H])nc2c(=S([2H])([2H])([2H])[2H])[nH]1"]
["48411404","c1nc(OC2CNC2)c2nc[nH]c2n1"]
["29433411","CN=C(O)CNc1cnc2[nH]cc(C(O)=NCC(C)(C)CO)c2n1"]
["50702974","CCN(CCC#N)c1ncnc2[nH]cnc12"]
["157857338","Cn1c(I)cnc1N[C@@H]1CC1(C)C"]
["168087570","c1nc(N2CCC(NC3CCOCC3)CC2)c2nc[nH]c2n1"]
["172406134","[2H]c1nc(O)sc1[2H]"]
["180077798","C=C(C)C(C)C1(C(C)C)CC1Nc1ncnc2[nH]cnc12"]
["145763072","N=C(O)CCc1ncnc2[nH]cnc12"]
["157835821","BrC(Br)=Cc1c[nH]c2ncccc12"]
["156549262","CC1(C)[C@H](O)C[C@H]1Nc1ncnc2[nH]cnc12"]
["58430306","CC(C)[C@H](C)N=c1[nH]c(F)nc2[nH]cnc12"]
["99832892","CC(C)S[Si-](SC(C)C)(SC(C)C)=c1ccc(=c2ccc(=c3ccc(=c4ccc(=c5ccc(=c6ccc(=c7ccc(=c8ccc(=c9ccc(=[Si+])o9)o8)o7)o6)o5)o4)o3)o2)o1"]
["90131605","CC(C)c1nc2nccc(Br)c2o1"]
["94844915","COc1ccc(CC(N)c2ccc3c(c2)COC3)cc1Br"]
["119287135","Cc1ccc(CC(CC(C)C)C(=O)O)o1"]
["188061057","Cc1oc2ccncc2c1C(C)C"]
["83582585","CCc1cc(=O)oc2c(C)c(OCC([O-])=NC(C)C(=O)O)ccc12"]
["89362187","Cc1cccc2oc(C(C)C(=O)O)nc12"]
["47793383","CSCc1ccc(C(=O)N[C@@H](C)C(=O)O)o1"]
["61642340","Cc1cnc(C(C)C(=O)O)o1"]
["148258460","CC(N=C(O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(C)C(=O)O"]
["156610272","CSc1ccc(N[C@@H](C)C(C)C)nc1"]
["13135514","Cc1oc2ccc(OC/C=C/c3ccccc3)cc2c1C(=O)OC(C)C"]
["47940079","CCC(C)(C)C(=O)OC(C)C.COC(=O)[C-]1CC2CC1C(C1C(=O)OC(=O)C1C1C3CC(CO[Si]4(C)C[Si](C)C[Si-](C)C[Si+](C)C4)C(C3)C1CC(C)(C(=O)OC(C)C)C1C3CCC(C3)C1C)C2C1C(C)C2CC1C(C(=O)OC)C2C(=O)[O-].[Y]"]
["15764344","CC(C)OC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C[C@H]4[C@H]2C(=O)O[C@H]4C3)cc1"]
["31964021","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@](O)(CN3CCCC3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)C1(C)C"]
["178244285","C#CCCC(=O)O[C@H]1[C@H](N(C)C)C[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)C[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]2(C)O)O[C@@H]1C"]
["184176896","CC[C@H]1OC(=O)[C@H](C)[C@@H](C2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCC2CCNc3ccccc32)[C@H](C)[C@@H](O)[C@]1(C)O"]
["173802237","COC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)N=C(O)O[C@@H]1C[C@H](C)C[C@H]1CCCCCn1c(nc3cc(C#N)ccc3c1=O)O2"]
["5565097","CC/C(=C\\C=C\\[C@@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)[O-])CC[C@@H]1C"]
["194102212","CCC(C)(C)C(=O)OC1CC2CC1C1CC(=O)OC21.CCC(C)(C)C(=O)OC1CC2CC1CC2C#N"]
["32038200","CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(=O)C(C)(C)C)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3"]
["178806833","CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C(C)(C)C)N=C(O)O[C@@H]3[C@H]4CC[C@H](C4)[C@H]3CCCCCC(=Nc3ccc(OC)cc3N)C(C)O2)[C@@H]1C(O)=N[C@]1(C(O)=N[S@](=O)C2(C)CC2)C[C@H]1C(F)F"]
["170266725","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@](O)(CN=[N+]=[N-])[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2C)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"]
["33057554","CC(=O)O[C@H](C1=C[C@H](O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)OC1=O)c1ccccc1N"]
["44352193","O=S(OC(Br)(Br)Br)N1CCN(OS(=O)C(Br)(Br)Br)CC1"]
["174373841","O=C1N(OC(F)(F)F)CCC1(I)c1ccccc1"]
["34000590","CC(C)(C)N1CCN(c2nc(Br)cs2)CC1"]
["MCULE-4072916845","CCn1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)COC(C)(C)C)CC3)cc2)cn1"]
["50104538","CCS(=O)(=O)c1ccc(-c2ccc(OC)c(C3CCN(C4CC5CCC4C5)CC3)c2)cc1"]
["171514007","C[n+]1ccn(S(=O)N2CCSCC2)c1"]
["149899124","Cc1cccc(CN2CCN(S(=O)O)CC2)c1"]
["151278134","O=C1[C@H]2[C@H](C(=O)N1[C@H]1C[C@H]3CC[C@H]1C3)[C@H]1C=C[C@H]2C1"]
["145517754","CC(C)(C)ON1CC[CH]CC1"]
["MCULE-3802690755","COc1ccccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)c3sc(C)nc3C)CC2)cc1"]
["107550385","CN1CCN([S@@](=O)c2ccc(N)cc2)CC1"]
["174762329","COC1=CCC(C)=C(S(=O)N2CCOCC2)C(C)=C1"]
["78442079","BBB(F)BB(F)B(B(F)BB)B(F)B(B)B(F)BB"]
["156243890","BBB(B(B)B)B(C)B(B)B"]
["78331889","BBB(B)F"]
["97959433","BBB(B(B)B)B(B)B(B)B"]
["78360146","BBB(B)B(BB)B(B(B)B)C(=O)CC"]
["161389824","BB(B)B(B)B(F)B(B(B)B)B(B)B"]
["78435221","BB(B)B(B)B(B)B(B(B)B)B(B)B"]
["149069887","BBB(B)B=S"]
["78495499","BBB(B)N(C)B(B)B"]
["144654274","BBB(B)PB(B(B)B)B(B)B"]
["78383346","BBB(B)C(B(B)B)B(B)BC"]
["144572383","CBBB(F)B(F)B(F)B(F)B(F)B(F)[C](F)F"]
["172175933","[B+]=[O+]C([O-])[C@@H](CS([O-])([O-])[O+]=[B+])N=C(O)[C@@H](CS([O-])([O-])[O+]=[B+])N=C(O)[C@H]([NH-])CS([O-])(O)[O+]=[B+]"]
["78955542","C=C=C(O)N=[O+]S([O-])(O)C(C)CC.[Na+]"]
["50865655","CCCC(CCC)S(=O)(=O)C[C@@H](N=C(O)c1c[nH]nc1C(F)(F)F)C(O)=N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1"]
["48025140","CC(N=C(O)C(CC(=N)O)N=C(O)C(C)N=C(O)C(N)CCC(=O)O)C(=O)O"]
["95539563","CC(C)C[C@@H](N)C(O)=Nc1ccc(F)c(C(=O)O)c1"]
["68797889","N=C(O)CCC(N)C(O)=NC(CS)C(O)=NC(CC(=N)O)C(O)=NC(CO)C(=O)O"]
["80985749","NC(CSSCC(N=C(O)C(CCC(=O)O)N=C(O)C(N)CCC(=O)O)C(=O)O)C(=O)O"]
["150659245","CC(=O)CN=C(O)C(CO)N=C(O)C(CO)N=C(O)CN=C(O)C(CO)N=C(O)C(N)CO"]
["153408809","O=C(O)[C@@H](Cc1ccccc1)N=C(O)[C@@H](CCS)N=C(O)c1ccccc1-c1ccccc1"]
["34728130","CC(C)CC(O)C(O)C(CO)N=C(O)C(O)C(N)CO.O=S(=O)(O)O"]
["153823755","N[C@@H](Cn1ccc(=O)c(O)c1)C(O)=N[C@@H](Cc1ccccc1)C(=O)O"]
["175693195","NCCCC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CO)C(O)=NCCNF"]
["78435215","[CH+]/C=C\\C1=C=[NH+]C(=O)C1=c1[n-]c2c(c1[OH2+])[CH-]C=CC=2.[Y]"]
["57160002","O=C1c2ccccc2C(=O)N1CCCC[C@@H]1N[C@H](Cc2c3c([nH]c2=c2[nH]c4ccccc4c2=C[C@@H]2CS[C@H](CCCC=[N+]4C(=O)c5ccccc5C4=O)N2)=CC=C[CH-]3)CS1"]
["193407969","CC=C1[CH-]C=CC=C1C1=C=CC(Cl)C(=O)N1CC.[Y]"]
["172516683","CCOC(=O)CN1C(=O)C(CO)(c2cc3c(cc2O)OCC3)C2C1=CC=CC2Cl"]
["191202109","CC.CC=C1[CH-]C=CC=C1N=C1CCSC(C)C1.[Yb]"]
["75493448","CCC[N+]1([S-])C(=O)c2nc[nH]c2[NH+]([S-])C1=O"]
["191363177","CC=C1[CH-]C=CC=C1C1=C=CC(Br)C(=O)N1C.[Y]"]
["62402731","C=C1[CH-]C=CC=C1OCl.[Mg+2]"]
["184786491","CC=C1[CH-]C=CC=C1C1=CCC(I)C(=O)N1CC.[Y]"]
["184786713","CC=C1[CH-]C=CC=C1C1=CCCC(=O)N1C.[Y]"]
["62396980","O=C(O)C=[N+]1[N-][N-]c2ccccc21.O=[C-]O.[Y]"]
["68109869","CC=c1cnc2n1[CH-]C=CC=2.[Y]"]
["75114908","N=C([O-])N1C=[N+]C2=C1C=C(Cl)[CH-][NH2+]2"]
["59365556","Cc1c(Cl)cnn1CC(=N)N"]
["139549041","CCCCn1cc(C(O)=Nc2cc(C(=N)O)ccc2Cl)c(C)n1"]
["4287111","Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=N)O)CC2)cc1C"]
["929471","O=S(=O)(c1ccc(Cl)c(NC(S)=Nc2ccccc2N2CCOCC2)c1)N1CCOCC1"]
["3192574","COc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)cc1C(F)(F)F"]
["52106451","NS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1"]
["4828284","N=C(O)Cn1cc(Cl)cn1"]
["121428325","CCC1C(O)=NCCN1CC(O)=Nc1ccc(Cl)c(C(F)(F)F)c1"]
["195294744","N=C1C=C(Cl)C=CC1=C([O-])N1CCC1"]
["9453300","O=C([O-])c1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)ccc1Cl"]
["170474098","N=C(O)CC#Cc1cc(Br)ccc1Cl"]
["45145791","CC[N+]12C=[N+](CCC1)CC[N+]1(CC)[CH-]N(CCC1)CC2"]
["17241815","CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCCN1S(C)(=O)=O"]
["82848806","CCC(=O)N1CCN(C(=O)c2[nH]cnc2C)C2CS(=O)(=O)CC21"]
["135178864","CCC(=CC(=O)N1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1"]
["122398107","CN(Cc1cn(C)nc1C1CCCCC1)C1CCN(CCn2cccn2)CC1"]
["160417408","CCn1cc(C2CS(=O)(=O)CCN2Cc2cncn2C)cn1"]
["158159204","CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cc3ccccc3o2)cn1"]
["132526526","CC1CS(=O)(=O)CCN1C(O)=Nc1cnn(C(C)(C)C)c1"]
["156872604","C[C@H]1CS(=O)(=O)CCN1C(O)=N[C@H]1CCSc2c(F)cccc21"]
["133147779","CCC(NC1CCCn2ncnc21)C1CCCCC1"]
["95208939","CCCn1ncc(OC)c1C(=O)C(C)(C)N1CCCC1"]
["192664575","CC(C)C1CC[N+](C)(C)CC1.CC(C)C[N+]1(C)CCOCC1.CC[N+]1(C)CCN(CC(C)C)CC1"]
["184438781","O=S1CC2CC(N3S(=O)(=O)c4oc5c(Br)sc(Br)c5c4S3(=O)=O)CCC2CO1"]
["193695500","Cc1oc(C)c2c1C(=O)c1oc3c(Br)sc(Br)c3c1C2=O"]
["157681430","Cc1nc(C2CC2)oc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21"]
["160931438","CCc1cnc(CN2CCC(N3CCCS3(=O)=O)CC2)s1"]
["147235043","Cl.Clc1sc(CN2C3CCNCC2CC3)cc1Br"]
["66036275","CN1C2C=C(c3ncsc3Br)CC1CC2"]
["185019412","CN1C[C@H](CCOC(=O)[C@H]2CCCCCN2)C[C@@H]2c3cccc4c3c(c(Br)n4C)C[C@H]21"]
["140576494","O=S(=O)(c1ccc(Cl)s1)N1CCOCC1C1CC1"]
["199279420","N=C(O)c1c(Br)nn2c1NCC[C@H]2C1CCNCC1"]
["33574394","O=C1OC(C2CC2)CC2c3cccn3-c3sccc3C(=O)N12"]
["92093637","C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)sc2Br)C[C@H](C)O1"]
["120264388","NCCc1n[nH]c(=NC2C3C4CCC(C4)C23)o1"]
["170771073","CC1=C2C(C(=O)O)C3=CC(C(=O)O)=CC4CC5[C@@]67O[C@]68C6C(C2[C@]72O[C@]342)[C@]23O[C@]12C(O)=CC1C[C@]24O[C@@]2(O)C2C=CC(O)=C7C9C=C(C(=O)O)C%10=CCC%11C[C@]%12(O[C@]5%12O)C8[C@@]58O[C@@]%115C%10C9C5[C@@]8(O)C6[C@@]6(O[C@]64[C@]54O[C@@]724)C13"]
["150222651","CC[C@@H]1C[C@]1(N=C(O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)CC(=O)O[C@@H]1CCC[C@H]1CCCCCn1c(nc3cc(OC)ccc3c1=O)O2)C(O)=NS(=O)(=O)C1CC1"]
["200586114","CC(=O)C(=O)N[C@@H]1/C=C(C)\\C=C/[C@@H](O)C/C=C(C)\\C=C/[C@@H](O)C[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C"]
["170761168","Cc1c[nH]c2c1C13C[C@@H]1CN(C(=O)C1(C)CC(C)(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4[nH]cc(C)c54)C1)C3=CC2=O"]
["CNP0525297.5","COC(O)=N[C@@H]1[C@H](C)O[C@@H](OC2C/C=C(\\C)[C@H]3C=C[C@H]4[C@H](O[C@@H]5C[C@@H](O[C@@H]6C[C@@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@H](C)O5)[C@H](C)C[C@@H](C)[C@@H]4[C@@]3(C)/C(O)=C3/C(=O)OC4(C[C@H](C)C(C)=C[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-]"]
["CNP0502597.1","COC(O)=N[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H]3C=C[C@H]4/C(C)=C\\C[C@H](O[C@H]5C[C@](C)(N)[C@@H](N=C(O)OC)[C@@H](C)O5)/C(C)=C/[C@@H]5C=C(CO)[C@H](C)C[C@]56OC(=O)/C(=C(\\O)[C@@]4(C)[C@@H]3[C@@H](C)C[C@@H]2C)C6=O)C[C@]1(C)N"]
["101722613","COC(O)=NC1C(C)OC(OC2C/C=C(\\C)C3C=CC4C(OC5CC(OC6CCC(O)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(O)C4/C=C/2C)C3=O)CC1(C)[N+](=O)[O-]"]
["33269603","CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@@H]5OC(C)(C)O[C@@]53[C@@H]3OC(C)(C)OCC3=C[C@H](C4=O)[C@@H]1C2(C)C"]
["192274310","CCCCCCCCCCc1ccc(C(=O)N(C)[C@H](CO)C(O)=N[C@H](C)C(=O)CCC(=O)N(C)[C@@H]2C(=O)C[C@@H](C)C(O)=N[C@H](C(=O)O)CC3=CCC(O)C(=C3)C3=C(O)C=C[C@H]2C3)cc1"]
["179401073","C#CCN(C(O)=NCc1ccc(OC)cc1)N1CC(=O)N2[C@@H](Cc3ccc(N(C)C(=O)c4cccc5c4C=CCC5)cc3)C(=O)N(Cc3cccc4sc(=N)[nH]c34)C[C@@H]21"]
["SN0376461-04","COC(O)=N[C@H]1[C@@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@H](O[C@H]5C[C@@H](O)[C@@H](OC(C)=O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C\\2C)C3=O)C[C@]1(C)[N+](=O)[O-]"]
["76997595","CC(=O)OC1C=CC(C)=CC(N=C(O)C(C)O)C2(C)C(=O)OC(CC(O)C=CC(C)=CC1)C(C)C2=O"]
["179801762","CC1c2nc3nncc4c3n2-c2n(nc[n+]2C1C)C4"]
["163800151","CO[C@@H]1CN(Cc2ccnn2C2CCCC2)C[C@H]1c1cnn[nH]1"]
["69698651","CS(=O)(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1"]
["18918607","CC(C)c1ccc(C2=Nc3nnnn3[C@@H](c3ccc(C(C)C)cc3)C2)cc1"]
["11156857","Cn1cc([C@H]2C[C@H]2C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)cn1"]
["95970101","Cn1cc(CC(NN)C(C)(C)S(C)(=O)=O)cn1"]
["144638233","CC1c2ncc(Cn3cccn3)n2CCN1S(C)(=O)=O"]
["65143532","CC1CN(c2nncc3ccccc23)C(C)CN1"]
["102827942","C[C@H]1[C@@H](OC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)C[C@@H]2C[C@H]1C2(C)C"]
["23173233","CC1CC(C(F)(F)F)n2ncc(-c3nc4c5ccccc5ncn4n3)c2N1"]
["91861015","Cn1cc(CCCSc2nncn2C2CC2)cn1"]
["196756928","Cc1nc(C(C)C)c2nncc(C)c2n1"]
["187082730","O=S(=O)(c1cc2ccc3c(c2s1)=c1ccc2c(c1N=3)C=CC=S=2)c1cc2ccc3c(c2s1)=c1ccc2c(c1N=3)C=CC=S=2"]
["77555679","COc1cc(C=C(CC(=O)[O-])c2nc3ccccc3s2)cc(Cl)c1OC"]
["162630001","O=C(O)c1ccc2cc(I)sc2c1F"]
["150746547","Cc1ccc2c(c1)=S=C(c1ccc(C3=c4ccccc4=C(c4ccc(-c5nc6ccc(C)cc6s5)cc4)C4=CC=CCC43)cc1)N=2"]
["56734998","O=P1(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2sc3c(c2-c2c1sc1ccccc21)C=CCC3"]
["47710856","CC(C)(C)c1ccc2nc(CS(C)(=O)=O)sc2c1"]
["27338570","CC(C)(C)OC(=O)N1C=Nc2ccc3cc(S(C)(=O)=O)sc3c2C1"]
["141899663","Cc1ccc(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3)cc1C"]
["135698190","Cc1nc(C)c(C(O)=NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1"]
["26077194","CC(C)c1cnc(N(C(=N)O)c2ccc3c[nH]nc3c2)s1"]
["100154564","CCOC(=O)Cc1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1"]
["162716695","O=[N+]([O-])c1cc2ccc(I)c(F)c2s1"]
["149935584","COC(OC)C1=CC(C)(C)C(Cc2ccc(C(OC)C3=CC(C)(C)C(Cc4ccc[nH]4)=N3)[nH]2)=N1"]
["147259269","CNC(C)CC1=N/C(=c2\\cnn3c2nc(=O)c2ccccc23)ON1"]
["17839824","COc1ccc(C(=O)NCc2ccc[nH]2)cc1"]
["165341845","COC(=O)CCCN1C(S)=NC(c2ccccn2)C1c1ccc[nH]1"]
["73802781","CN(CCc1ccc[nH]1)C(=N)NC(=N)N"]
["CSSS20621774316","O=C(NCc1ccc[nH]1)C(=O)Nc1c(F)cnc(Cl)c1Cl"]
["MCULE-9229476312","COc1ccc(CCC(=O)N=c2cc[nH]cc2-c2ccc(F)nc2C)cc1"]
["67024271","COCc1cccc(C2NC(C)CS2)c1"]
["77411732","COC1CC2NC(C[NH2+]C(c3ccccc3)c3ccc(C)c(C)c3)N=C(O)C2CC1OC"]
["139579849","COC(=O)c1sccc1S(=O)(=O)NCc1ccc[nH]1"]
["69208952","CC(O)=Nc1ccc2nc(N=C(O)Cc3ccc[nH]3)sc2c1"]
["98491898","CC(C)(C)OC(O)=N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1ccc[nH]1"]
["96560153","COC(OC)C1=CC2C(C3C=CC2(C(OC)OC)C(=O)C3(OC)OC)C(OC)(OC)C1=O"]
["32658389","CC1(C)[C@@]2(C)CC[C@]1(C(=O)OC[C@@]13C=C[C@@H](O1)[C@H]1C(=O)OC(=O)[C@H]13)OC2=O"]
["33486715","CO[C@H]1C[C@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C(C)=C/C[C@H](OC)C[C@@H]3C=CC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)OC(=O)/C=C/C(C)=C/C[C@H](OC)C[C@@H]4C=CC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)O4)O3)O[C@@H](C)C1"]
["194519980","COC1(C[C@H]2CN3[C@H](CN2C)C[C@@]2(OC)C=CC(=O)C[C@@H]32)C=CC(=O)C=C1"]
["154160923","CC(=O)O[C@H]1[C@@H]2[C@H]3[C@H](OC(C)=O)[C@@H]4C(O)=C5C(=O)c6c(O)cc(C)cc6C(=O)[C@@]53[C@H]1C=C1C(=O)c3c(O)cc(C)cc3C(=O)[C@@]124"]
["SN0065598-04","CO[C@@H]1CC(=O)[C@@]23C(O)=N[C@@H](CC(C)C)[C@@H]2C(C)=C[C@@H](O)[C@H]3C=CCC[C@H]2O[C@@]12C"]
["56566504","CCC1(c2ccccn2)OC(COCOC)C(C(=O)OCc2ccco2)O1"]
["34018072","COc1cc2c(c([N+](=O)[O-])c1O)C(C(OC)OC)=CCN2C"]
["MCULE-2883103280","COc1ccc(OC)c2c(=O)cc(C(O)=NCCN3CCC(O)C3)[nH]c12"]
["68072440","Cc1ccccc1N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)OC(C)C)[C@@H]3C1=O"]
["33795657","COC(=O)C1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)C2(OC)OC"]
["54410683","COC(=O)OC1=CC(C)(C)NC1(C)C"]
["177036120","C=CC1=CC=C2[N-]C=C(C3=NC4=CC=C=CC4=[O+]3)N2[N-]1.[Am]"]
["186487732","CC1C(=O)N(CCF)C2=C=CC=C(Br)N=C2N1C1CC1"]
["73473627","[O]C1=C2C=C=CC=C2C2(O1)c1ccccc1Oc1ccccc12"]
["74097237","C1=C[CH]C(N2CC3(COC3)C2)=CC=1"]
["175470364","C=C(NC1=CC=C=C[CH]1)[C@@H]1CCCN1.[Pb]"]
["73933694","FC(F)(F)C1=CC=C=C[C]1c1ccccn1"]
["76037756","COCC1=C2C=C=CC=C2N(C)[N]1"]
["100389208","OCN1N=CC2=CC=C=C[C]21"]
["73589969","COCCN1[N]C=C2C=C=CC=C21"]
["75377949","CC(C)C1=CC=C=C[C]1n1nc2ccccc2n1"]
["74672218","CC1CC(=O)N(C2=CC=C=C[CH]2)C1=O"]
["101529836","FC(F)C(F)(F)C(F)(F)C1=CC=C=C[CH]1"]
["175875610","C1=CC2SC(n3c4c5c6c7c8c9c(ccc3c95)C=C[C@@H]8SC7=CCC6CC=4)=CC2S1"]
["177406679","N#CC1C=c2nc3c4cccc5cccc(c(=O)n3c2=CC1)c54"]
["170196080","COc1ccc2c3c1OC1CC=CC(C=C2)[C@@]31CCN=C(O)OC(C)(C)C"]
["180374515","CC1(NC=[NH2+])CC=C2C=CC3CC=Cc4ccc1c2c43"]
["56306427","COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H](C=C2)[C@@]31CC[NH+](C)C"]
["90696171","CN=C(O)CC12c3c4ccc(OC)c3OC1C(OCOCCOC)CCC2C=C4"]
["184217054","CCCN(CCC)Cc1ccc(NC(=O)CC2=CCC(CN(Cc3nccn3C)Cc3nccn3C3CC3OCC)C=C2)cc1"]
["56765130","CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3c(C)nn(C)c3C)c2)SC[C@H]1OC(C)=O"]
["96726779","C1=CC2O[B-]3([O+]C4C=Cc5cccc6ccc(c4c56)N3C3CCCCC3)N(C3CCCCC3)c3ccc4cccc1c4c32"]
["179576432","C1=Cc2cc3c4c(ccc5c4c2C(C=C5)C1)-c1ccc(N(c2ccccc2)c2ccccc2)cc1-3"]
["21010938","[NH3+][C@@H]1N=C(c2ccc([C@H]3C=CN=N3)cc2)CS1"]
["80893356","Cc1nc(C(O)=NC2CC(c3ccc4nc[nH]c4c3)CC3NNCC23)cs1"]
["179619606","COC(O)=N[C@@H](CC1=CI=C[N-]1)C(O)N1CCC[C@H]1C1NC=C(C2CCC(C3=CC=C(C4=CNC([C@@H]5CCCN5C(C)C(CC5CSC=N5)NC(O)OC)N4)CC3)CC2)N1"]
["149890213","COC(O)=NC(C(=O)N1CCCC1c1ncc(-c2c#cc(-c3ccc(-c4ccc(-c5cnc(CCCCN=C(O)C(N=C(O)OC)C(C)C)[nH]5)c5c4C4CCC5C4)c4c3C3C=CC4C3)cc2)[nH]1)C(C)C"]
["9055451","CCCCCOc1ccc([C@H](C)N=C(O)N2CCC[C@H](O)C2)cc1OC"]
["181802662","C=C1C[C@@H](c2ncc(-c3ccc(-c4ccc5cc(-c6cnc(N=[N+]=[N-])[nH]6)ccc5c4)cc3)[nH]2)N(C(=O)[C@@H](N=C(O)OC)C(C)C)C1"]
["27583081","COC(O)=N[C@H](C(=O)C1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5)[nH]4)cc3)cc2)[nH]1)C(C)C"]
["183829150","COC(O)=N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc([C@H]3CC[C@H](c4ccc5nc(N=[N+]=[N-])[nH]c5c4)N3c3ccc(N4CCOCC4)cc3)cc2[nH]1)C(C)C"]
["159580963","CC(C)Oc1ccc(C(=O)N2CCCC(N=C(O)OC(C)(C)C)C2)cc1"]
["163524474","CC[C@H](C)[C@H](N=C(O)OC)C(=O)N1[C@@H](C)CC[C@H]1c1ncc(-c2ccc3c(c2)COc2cc4c(ccc5nc([C@@H]6C[C@@H]7CCC[C@@H]7N6C(O)[C@@H](N=C(O)OC)C6CCOCC6)[nH]c54)cc2-3)[nH]1"]
["75120820","COC(O)=N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc([C@H]3CC[C@H](c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](N=C(O)OC)[C@@H](C)OC)[nH]c5c4)N3c3ccc(C(C)(C)C)cc3)cc2[nH]1)[C@H](C)OC"]
["128968016","CC(C)N1CCCC(CN=C(O)c2cccnc2C(F)(F)F)C1"]
["70103981","CNC(C)C(O)=NC(C(=O)N1CCCC1c1nc(-c2c(OCCOC(C)=O)ccc3ccccc23)cs1)C1CCCCC1"]
["149622120","CN=C(O)O[C@@H](Cc1cnn[nH]1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](N=C(O)OC)[C@@H](C)OC)[nH]4)cc3)cc2)[nH]1"]
["178664776","CS1(=O)(O)CC23CC2CCC(NN2C45CC4CCCC5CS2(=O)=O)C3N1N"]
["70179698","CC(=O)C1C2CCN(C)CC2=CC2C(=O)OC(C)C21"]
["170755721","COC1(c2ccnc(C(N)=O)c2)[C@@H]2CCC[C@H]1CN(C(C)C)C2.Cl"]
["85094398","CC1CN(c2ccc(F)c(CN)c2)S(=O)(=O)C1"]
["178713106","C=CC(=O)[N+]1(C)CCCC(C=C2N=NC3=NC(=N/C(C=C)=C/C)NC(N)C23)C1"]
["160994552","NCC1CCCCC1NC(O)=NCC1CCCCS1(=O)=O"]
["MCULE-6439395606","ON=Cc1cc(C2CC2)n(C2CCC2)n1"]
["104587818","C[C@H]1CCCC[C@H]1N[C@@H]1CS(=O)(=O)c2ccccc21"]
["110235317","COc1ccc(N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1"]
["96293060","CCC1CN(C2CCOC3(CCCCC3)C2)CC/C1=N\\O"]
["86954692","CC(O)c1cn(C2CCOC3(CCCC3)C2)nn1"]
["MCULE-9791408867","CCOc1ccc(-c2ccc(OC)c(CC(=O)N3CCC(F)C3)c2)cc1"]
["173450757","CCN1C=NN2C1=NC=C1C2=c2[nH]ncc2=NC1S"]
["58513868","CCC1=CNC(C(C)C)C(CC)=C1"]
["163795111","CC(C)c1nnc2n1CCN(C(=O)c1cn[nH]c1)C2C"]
["49813244","CCC1CCN(c2nccc(C(=O)O)c2N)CC1"]
["137399478","CCN1CCCC1CN=C(O)c1cccn2c(I)cnc12"]
["91977951","CCn1cc(NC(C)CC(=N)O)cn1"]
["120133124","Nc1cc2cn[nH]c2cc1N1CCCC1CO"]
["4318178","CC1=C(C[NH+]=C(O)C(=O)C2=c3ccccc3=N[C@H]2C)[C@H](C)ON1"]
["69596255","CCc1ccc(C2=c3cc(C#N)ccc3=NC(=O)C2c2cnc[nH]2)cc1"]
["19087911","CCC(CC)[C@@H](CN=C(O)Nc1cn[nH]c1)N1CCOCC1"]
["111931108","CCC1CCCN(C(CN)c2cnn(CC)c2)CC1"]
["92669050","CCC(OC)C(Cc1cnn(C)c1)NN"]
["168401269","COC1(c2cnc3c(nnn3O)c2N(C)C)C=CNc2c1nnn2O"]
["29505279","COC1(C(=O)O)CCN(c2ncc(Br)cn2)CC1"]
["MCULE-6140127790","CCC(CC)Cc1c(C)nn2c(O)c(C(=O)OC)cnc12"]
["112384767","COc1cncc2ncc(CCC3(N)CC3)n12"]
["69197189","CCCn1nnnc1CN(C)CCc1ccccc1OC"]
["101927103","COc1ncc(C(=O)N2CCN(c3nccn4c(C)nnc34)CC2)cn1"]
["147773762","CCOC(=O)/N=c1/snnc2c(C(=O)OCC)cnn12"]
["31762495","CN(CC(F)(F)F)C(=O)C1CCN(c2cnnc3c[nH]c4nccc-4c23)C1"]
["174199085","CCn1nc(C(=O)N(C)O)c2c1-c1nc(NC3CCCC3)ncc1CC2"]
["142299922","CC=CCC(CO)N=C(O)c1cnc2c(cnn2C)c1OC"]
["120243160","COCCCN(C)C(CN)c1cnn(C(C)C)c1"]
["169981214","COOCCC(OC)C(O)C(O)n1cnc2c(C)ncnc21"]
["145226114","[2H]c1c([2H])c([2H])c2c(c1[2H])=NC(C)(C)N1C=2Nc2cc3c(cc21)C(C)(C)C(C)(C([2H])([2H])[2H])C3(C([2H])([2H])[2H])C([2H])([2H])[2H]"]
["175432957","[B+]=c1ccc2c(c1)N=C1CNCC(C)(C)N1C=2[O-]"]
["44020152","[2H]c1c([2H])c([2H])c(C([2H])([2H])[2H])c(-n2c(C)nc3ccccc3c2=O)c1[2H]"]
["54359581","C[C@]1(c2ccncc2)N=c2ccccc2=C2Nc3ccccc3N21"]
["160360076","CC1(C)CCN(C(=O)c2nccn3ccnc23)CCS1"]
["175944161","[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2cc(Br)c(Br)cc2C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1(C([2H])([2H])[2H])C([2H])([2H])[2H]"]
["149000492","CC1=C[C@]23CC(C)(C)NC2=c2ccccc2=N[C@@H]3CC1=O"]
["144920488","Cc1cnn(-c2ccccc2C2(C)CCCN2)c1"]
["171991240","CC(C)(C)C1=C=C2N=C(C(C)(C)C)N3c4cc5c(cc4[N-]C3C2=C=C1)C(C)(C)CC5(C)C.[Ir]"]
["100699952","[2H]C([2H])([2H])C1(C)C(C)(C)c2cc3c(cc2C1(C([2H])([2H])[2H])C([2H])([2H])[2H])nc(-c1ccccc1)n3-c1ccccc1C"]
["49799343","CN1C=C(N)/C(=C2/N=c3cc(N)c(F)cc3=N2)N1"]
["107771703","Cc1ncnc2c([C@@]3(C)CCCN3)cn(C)c12"]
["179512281","OC1=C2SC(c3ccsc3)NC23C(O)C3C=C1"]
["175181452","CCCCC1C=CC(O)=C(C)C1(C)C(C)(C)C"]
["29872097","COc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1F"]
["172962472","O=C(O)c1sccc1[C@@H]1[C@H](c2ccsc2C(=O)O)[C@H](c2ccsc2C(=O)O)[C@H](O)[C@H](O)[C@@H]1c1ccsc1C(=O)O"]
["2695605","O=C(CN1Cc2ccccc2O[C@@H](c2ccsc2)C1)N1CCC(c2nc3ccccc3[nH]2)CC1"]
["135831166","CC(C)CC(O)=NCCC(=O)N1CC(C)OC(c2ccsc2)C1"]
["129198037","COC(=O)Cn1cc(CCN2CC(C)OC(c3ccsc3)C2)nn1"]
["28372297","N=C(O)c1cc(-c2ccsc2)cc2c([C@H]3CCS(=O)(=O)[C@@H](c4ccccc4)C3)c[nH]c12"]
["83469110","O=C1N=C(C=Cc2ccsc2)N=C2SC3=C(CCCCC3)C12"]
["70325882","N=c1[nH]c(Cc2ccsc2)cs1"]
["182275796","CC(C)(C)C1=C(O)C(O)(c2ccsc2)CC=C1C(=O)O"]
["166990936","C[S+](=O)([O-])NC1CCN(Cc2ccc(-c3ccsc3)cc2)C1"]
["32673045","[2H]OC1=Nc2c([2H])c(Cl)c(C([2H])([2H])C([2H])([2H])N3C([2H])([2H])C([2H])N(c4nsc5c([2H])c([2H])c([2H])c([2H])c45)C([2H])([2H])C3([2H])[2H])c([2H])c2C1"]
["1895711","OC(=NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCN(C2=NC(Cl)=NC3=NC=N[C@H]32)C1"]
["MCULE-5590629391","Cc1ccccc1N1CC(C(=O)N2CCN(c3nsc4ccccc34)CC2)CC1=O"]
["105877753","Cc1ccc(-c2nnc(CCC(O)=NC3CCN(Cc4ccncc4)CC3)o2)cc1"]
["27432203","CCOC(=O)CN(C)CCC(=O)Nc1ccc(CCCN2CCN(c3nsc4ccccc34)CC2)cc1"]
["159384621","Cc1csc(N=C(O)[C@@H]2CCCN(c3cc4c(nn3)CCC4)C2)n1"]
["81291408","OC1=NC(O)=NC(C(O)=NCc2cccnc2N2CCc3ccccc3C2)C1"]
["77305758","OC1CC(CN2CCC(c3ccccc3Cl)CC2)CCc2cccnc21"]
["28688124","OC1=Nc2cc(CN3CCC(N=C(O)c4cccc(Cl)c4)CC3)ccc2CC1"]
["98709573","CC(O)=Nc1ccc(-c2nc(N3CCCOCC3)c3cn(Cc4ccccc4)c(O)c3n2)cc1"]
["7201056","C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O"]
["153191070","O=C(O)c1ccc(Cn2cnc3c2NC=NC[C@@H]3O)cc1"]
["178842350","CC1[C@H]2[C@H]3C[C@H]4[C@@H](C)[I+]C(C)(C)C5[C-]=[C-]C(CCC1(C)C)[C@@H]2I4[C@@H]53"]
["175170448","C=C1CC[C@H]2[C@H](C(C)CCC2(C)C)[C@@H]1CCO"]
["179266240","CC1C2CCC1(C)CCC(O)C2"]
["162686258","CC1[C@@H]2C[C@@H](C[C@H]2C(=O)O)C1(C)C"]
["66123846","CC1C(CC(=O)O)CCC1(C)C"]
["81262248","CC1CC23OC2(CCC2C4CCC(=O)C4(C)CCC23)CC1=O"]
["32472673","CC(C)OP(=O)(CC[C@H]1[C@H]2CC[C@@H]3[C@@H]2C(C)(C)CCC[C@@]31C)OC(C)C"]
["162824225","C[C@@H]1[C@@H]2C[C@H](C[C@H]2C(=O)O)C1(C)C"]
["179013658","CC(N)C1CCC(C)(C)C(C)C1"]
["158338651","CO[C@]1(C)CCCN(C(O)=NC[C@@H]2CCO[C@H](C)C2)CC1"]
["171131713","CC1CC2CC1C1C2C2CC1(C)C1C3C=CC(C3)C21"]
["52069688","CC1(C)CCC[C@]2(C)[C@@H]3CC[C@H]([C@@H]31)[C@@H]2CO"]
["164218410","CC1N[PH]2(Oc3ccc(O)cc3)C(N[PH](Oc3ccc(O)cc3)(Oc3ccc(O)cc3)N[PH]1(Oc1ccc(O)cc1)Oc1ccc(O)cc1)C2Oc1ccc(O)cc1"]
["34579047","COC(=O)C1Cc2ccc(OC)c(O)c2C(=O)/C1=C\\O"]
["1727931","Cc1nc(C2CCN(C(=O)c3ccc(O)nc3)CC2)sc1C"]
["168136754","Cc1[nH]n(-c2ccc(O)cc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)O)c2ccccc12"]
["164140840","O=C1C=CC(=C2NC(c3ccc(O)cc3)=CN2C2CC2)C=C1"]
["91166232","COc1ccc(C2=C(c3ccc(OC)cc3)N(c3ccc(O)cc3)C(=C3C=CC(=O)C=C3)N2)cc1"]
["2662903","O=C(NCCc1ccc(O)cc1)c1ccc(OCC2CC2)cc1"]
["80537170","CCOCCCN1C(=O)C(=O)C(=C(O)c2ccc(OCC)cc2)C1c1ccc(O)cc1"]
["42211154","CCN(Cc1ccc(O)cc1)C1CNC1"]
["165740486","CCOc1ccc(CC(CN=C(O)C2CC(C)NN2)C(=O)O)cc1"]
["27255524","CC(=O)c1ccc(OC2Cc3c(ccc(C(C)=O)c3O)O2)cc1O"]
["154320520","C[C@@H]1NC[C@H]2Cc3ccc(O)cc3[C@H]1C2"]
["170762869","CN(C)C(=O)CN1C=C(C2=[NH+]C(=O)C(C#CC3CC3)=CC2=[O+]C2CC2N2[N-]C(C3=[NH+]C(=O)C(C#CC4CC4)=CC3=[O+]C3CC3)=CN2CC(=O)N2CCCC2)N(C2CC2Oc2cc(C#CC3CC3)c[n+]([O-])c2-c2cn(CC(=O)N3CCCC3)n[nH+]2)[N-]1"]
["MCULE-8972177832","CCCCCCN(CCCC)Cc1cc(=O)c(OCC(=O)N2CCC(C)CC2)cn1Cc1ccc(C)cc1"]
["302258","COc1cc(OC2CCN(C3CCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1"]
["116771154","CCN=C(NCC(=O)N1CCCC1)N(C)Cc1cn(C)nc1C(C)C"]
["MCULE-7439158489","CSc1ccc(-c2ccncc2N=C(O)CCCC(=O)N2CCCC2)cc1"]
["MCULE-9906747269","Cc1nn(CC(=O)O)c(C)c1-c1cc(C(=O)N2CCCCC2CCN(C)C)ccc1F"]
["196580628","Cc1cc(C#CC2CC2)ccc1/C(C=NCC1COCCO1)=N/N"]
["65924421","CC(OC(=O)CCC(=O)N1CCC(N2CCCCC2)CC1)OC(=O)O[C@@](Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)SC1COC(/C=C/C=C/c2ccc(C#N)cc2F)OC1"]
["76177520","CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN(C(=S)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1"]
["196461667","COc1ccc2cc1OCCCN(C(=O)CCN1CCCCCC1=O)CCCCN(C(=O)C1(Cn3cccn3)CC1)CCn1ccnc1-2"]
["MCULE-6896380151","CCCCCOc1ccc(C2C(C(=O)N3CCC(O)CC3)=C(N)Oc3c2c(CC)nn3CCC)cc1OCC"]
["15657449","CC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)c(=O)n(CC(=O)N1CCCC1)c(=O)n2C"]
["100856482","CCCC[N+]1=c2ccccc2=[O+]C1=[C-]C1C([O-])C(=c2ccc(=C3C([O-])[C+](/C=C4\\[O+]=c5ccccc5=[N+]4CCCC)C3[O-])s2)C1[O-]"]
["74956681","CCCC[C@](C)(C=O)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["5965893","CCOC(=O)[C@H](Cc1ccc(/N=C/c2ccc(Br)s2)cc1)N1C(=O)c2ccccc2C1=O"]
["54670182","CCCCOCCCN=C(O)C1CSC2c3ccccc3C(=O)N12"]
["99366504","C=C(Nc1ccccc1)c1sc2ccccc2[n+]1C(CCCC)C(=O)O"]
["184328390","CCCOC(O)[C@H](CCCCN=C(O)OC(C)(C)C)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["34367299","CCCC[n+]1cn(/N=C/c2ccccc2)c2ccccc21.[I-]"]
["181417440","CCCCC1(C=O)NC(Cl)=CN1Cc1ccc(-c2ccccc2I)cc1"]
["78885373","CCCCO[C@H]1C[C@@H]1c1ccccc1"]
["MCULE-7420495439","CCCCCOc1ccc(C2C(C(O)=NCCN=C(C)O)=C(N)Oc3c2c(=O)n(C)c(=O)n3C)cc1OC"]
["47588067","CCCCN=C(O)/C(C#N)=c1\\s/c(=C\\c2ccccc2)c(=O)n1-c1c(C)cccc1C"]
["61265372","CCCCCCC1CC2CC1C(C1C3CC(CO[Si](C)(C)c4ccccc4)C(C3)C1C)C2C"]
["179412177","CC(O)C(C)C(N)C(O)C(C)C(C)OC12OC34OC(C)(C13)C1CC2C14C"]
["89593646","C/C=C(\\C(C)N)C12CC3CC(CC(C3)C1)C2"]
["111817892","CC(C)C(O)C(O)C1=CCCO1"]
["150283240","CC1(OC(=O)OC2CCC(O)CC2)CCOC(=O)C1"]
["66678073","COC(=O)N=C(O)[C@H](C)Sc1nnc(C23CC4CC(CC(C4)C2)C3)o1"]
["181424263","CC(CO)OCC(C)OCC(C)OC1(C)CCCCC1"]
["105997841","CC(C)C(O)=N[C@H]1CCOc2c(F)cc([C@H](C)N)cc21"]
["49093409","CC(C(N)C1CCCC(C2(N)CC2)C1)C(NN(N)C(C)(C)C)C(F)(F)F"]
["52876891","CC1CCCC(C(O)C(C)N)C1"]
["317222","CC1CCCC(C)[N+]1(C)CC(O)COC(c1ccccc1)c1ccccc1.[Cl-]"]
["179644743","CC(C)CN(C)C(O)OCCC1CC=CO1"]
["105213025","COCCN(C(=O)[C@@H]1C[C@H](O)CN1)[C@H](C)COC"]
["74472686","[3H]N=C(O[3H])C([3H])([3H])c1c([3H])c([3H])c(S(=O)(=O)N([3H])C([3H])([3H])C([3H])([3H])Sc2nc(-c3c([3H])c([3H])c(OC([3H])[3H])c([3H])c3[3H])c(-c3c([3H])c([3H])c(OC([3H])([3H])[3H])c([3H])c3[3H])n2[3H])c([3H])c1[3H]"]
["1043615","COc1ccc2nc(SCC(O)=NCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1"]
["84352116","COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1"]
["MCULE-9267783847","COc1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)Cc4c(C)cc(C)cc4C)CC3)cc2)n1"]
["68773711","O=C(Nc1ccc2n[nH]cc2c1)c1cccc(S(=O)(=O)NCC2CCCO2)c1"]
["123226002","CCc1nc2n(n1)CC(NS(=O)(=O)c1cc(C)c(OC)c(C)c1)CC2"]
["146677547","CC(C)(C)OCCC(NC(=O)c1cc(C2CC2)[nH]n1)C(=O)O"]
["195751828","COc1nc(NS(=O)(=O)c2ccccc2N)nc(OC)c1OC"]
["12023125","CCOc1ccccc1OCCCC([O-])=Nc1nc(S(C)(=O)=O)n[nH]1"]
["137286251","COc1cccc(CNS(=O)(=O)c2ccc(-n3cccc3)cc2)n1"]
["176794122","COc1ccc(-c2sc(N=C(O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C)cc1F"]
["110374610","COc1cccc(OC)c1Oc1ccc(CNS(=O)(=O)c2ccc(C)c(C)c2)cn1"]
["176241396","C=C=C([C-]=C([CH2-])C(CC)=[N+]=C=CC)SC1=C=C(N(C)CC=[N-])CC=C1.CC.[Pd]"]
["150319559","C=C1C2=CC(F)=C(C#N)C(=[F+])C2=C2C=C(N(C)C)C=CN2C1(CC)CC"]
["150432170","C=C1CC=CC(/C=C(\\C)C(=C)N=C(CC)OC)=C1C"]
["174159322","C=CC[N+](=C(C)C)c1cc(C)c(C)cc1C.CC.CCC"]
["13815994","CCc1nc(-c2ccc3c(c2)COC3)cs1"]
["124936994","CCc1nnsc1C(=O)N(C)c1cccc(SC)c1"]
["162430595","CC#CCn1ccc(C(=O)O)c1CC"]
["175561319","CCC#Cc1cc(N(C=O)C2CCC(O)CC2)c(C(=O)OC)s1"]
["174390623","C/C=C/Cn1ccc2c1C=C(N)C=CC2.C=CCC.CC"]
["175364860","C=C/C(=C/O)C(NC)C1=NCC=CC=C1"]
["184024327","CCC(O)=Nc1c(C(O)=NN=[N+]=[N-])ccc(C(C)=O)c1N"]
["198348027","C=C(NSC1CC1)c1ccc(N(CCC)C(C)CCC)c(F)c1"]
["97082548","CN1CCN(C)P12=N[C@@H](c1ccccc1)[C@H](c1ccccc1)N=P1(N=P3(N=P4(N[C@@H](c5ccccc5)[C@H](c5ccccc5)NP5(=NP6(=N2)N[C@@H](c2ccccc2)[C@H](c2ccccc2)N6)N(C)CCN5C)N(C)CCN4C)[NH2+][C@@H](c2ccccc2)[C@H](c2ccccc2)[NH2+]3)N(C)CCN1C"]
["97880832","CN(Cc1ccccc1)P1(=O)C2=CCC=C[C@H]2[C@H](c2ccccc2)N1C"]
["75041576","[NH][C@H]1CCCN[C@H]1c1ccccc1"]
["166876930","Cc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)n(C)n1"]
["80228681","CN1CCC(N=C(O)C2=CC3C(NNC3c3ccccc3)S2)CC1"]
["55672844","CCCCCN1C=CC(c2ccccc2)CC1"]
["64476724","CN(C)Cc1nnc2n1-c1ccc(Cl)cc1SC(c1ccccc1)C2"]
["67765545","CC1CCN(S(=O)(=O)N2CCC(O)c3ccccc32)CC1"]
["22266142","O=C1[C@@H]2[C@H](c3ccccc3)N3CN([C@H]2c2ccccc2)[C@@H](c2ccccc2)[C@@H]1[C@H]3c1ccccc1"]
["81291008","Cc1ccccc1CN(C(=O)C1CC(COc2ccccc2)NN1)C(C)C"]
["124690091","CC1C(c2ccccc2)CCN1C(=O)c1cncc(O)c1"]
["164028828","CC1(C)C[C@@H](c2ccccc2)[C@H](c2ccccc2)N(Cc2ccccc2)C1"]
["174774198","C/C=C\\C(=C(\\C=C\\C(\\C=C/[NH2+]C)=C\\C)C(C)C)N1CC[NH2+]CC1.C=C/C=N\\C(=NC)SCC(C)S"]
["127383751","C=C(C)CN(CC)C(=O)C(C)N1CCN(Cc2cc(C)no2)CC1"]
["22464260","CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+](CC)CC)cc1"]
["19643062","C=CCc1cc(OCC)cc(CN2CCN(Cc3c(C)[nH+]oc3C)CC2)c1O"]
["170744290","Cc1cc(CN2CCN(Cc3ccccc3)CCN(Cc3cc(C)cc(NOC(O)CO)c3O)CC2)c(O)c(N=C(O)C(O)CO)c1"]
["174774344","C/C=C(\\C=C/[NH2+]C)/C=C/c1ccc(N(C)CCSc2nccc[n+]2C)cc1"]
["118519168","CCc1nc(CN2CCC(CNC(=NC)NCCCOCC(C)C)CC2)cs1"]
["169815724","C=CCC=C/C(C(=C)C)=C(/C=C\\C)c1cnn(C#CC)c1N=C"]
["174793541","C[NH2+]/C=C\\N(C)C/C(C)=N/N(C)c1cc2c(cc1O)N(C)CCC2"]
["20534578","CC[C@@H](C)NC(S)=NCCN1CCN(C(S)=N[C@@H](C)CC)CC1"]
["160877359","C=C[C@@H]1OCCC[C@H]1N=C(O)N1CCCC(CO)(C(C)C)C1"]
["142074471","CN=C(O)Cc1nc(CN2CCN(C(C)C)CC2)cs1"]
["174214979","C.N=C(O)N1CCC(CC(=O)N2CCC(C3[C-]4C(Br)=CC(Cl)=CC4=CCC4=CC(Br)=C[N-]C43)CC2)[I+]C1[O-].[Os+]"]
["MCULE-9605108918","Cn1cc(-c2ccc(CCC(=O)N3CCC(N4CCCC4)CC3)c(F)c2)cn1"]
["47865778","O=C([O-])CCn1ncc2c1CCC[C@H]2N(c1cnc(Oc2ccc(Cl)cc2)c(Br)c1)S(=O)O"]
["MCULE-3705128804","CCOc1ccc(F)c(-c2cc(F)c(N=C(O)CCC(=O)N3CCOCC3)cc2C)c1"]
["170645197","COc1nc(-c2cccc(Br)c2Cl)ccc1CN(C)C1CCC(CC(=O)O)CC1"]
["151117155","Cc1ncc(CN2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)N4)CC2)s1"]
["147535992","N=C(O)C1CCN(C2CN(C(=O)c3ccc(Cl)s3)C2)CC1"]
["29268099","O=C(c1cc(F)cc(F)c1)N1CCC(C(O)=NC2CCC3CC4CC2[C@H](C3)C4)CC1"]
["64113941","N=C(O)C1CCN(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)CC1"]
["MCULE-6600516414","N#Cc1ccc(F)cc1-c1ccccc1CCC(=O)N1CCC(N2CCOCC2)CC1"]
["MCULE-4044230001","CCOc1cc(-c2ccc(OC)c(CCC(=O)N3CCC(COC)CC3)c2)ccc1F"]
["MCULE-7284600900","O=C(CN=C(O)c1c(Cl)ccc(Cl)c1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1"]
["79927747","Fc1c(F)c(F)c(C2=C(Br)C3=NC2=C(c2c(F)c(F)c(F)c(F)c2F)C2=NC(=C(Br)C4=NC(=C(Br)C5=NC(=C3Br)C(Br)=C5Br)C(Br)=C4Br)C(c3c(F)c(F)c(F)c(F)c3F)=C2c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["91186536","O=C1C2=C(F)C(F)C(F)=C(F)C2=Nc2c(F)c(F)c(F)c(F)c21"]
["74026941","Fc1c(F)c(F)c(/C2=C3\\C=CC(=N3)/C=C3/C=CC(CC4=N/C(=C\\c5ccc2s5)C=C4)N3)c(F)c1F"]
["100448649","Cc1cc(N)cc2nc(-c3c(F)c(F)c(F)c(F)c3F)oc12"]
["99408729","O=[N+]([O-])C1=C([N+](=O)[O-])C2=c3cc([N+](=O)[O-])c([nH]3)=C(c3c(F)c(F)c(F)c(F)c3F)C3=NC(=C(c4c(F)c(F)c(F)c(F)c4F)C4=NC(=C(c5c(F)c(F)c(F)c(F)c5F)C1=N2)C=C4)C=C3"]
["172326067","Fc1cc(Cl)c(Br)cc1-c1c(F)c(F)c(F)c(F)c1F"]
["166695007","Fc1c(F)c(F)c(-c2ccsc2Cl)c(F)c1F"]
["MCULE-3351538930","Nc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc2c(Br)c(C(F)(F)F)nn12"]
["175860781","Fc1cc2cscc2cc1-c1c(F)c(F)c(F)c(F)c1F"]
["79544717","Cc1[c][nH]c2cc(-c3c(F)c(F)c(F)c(F)c3F)c(-c3c(F)c(F)c(F)c(F)c3F)c(-c3c(F)c(F)c(F)c(F)c3F)c12"]
["74385017","NS(=O)(=O)c1nn2cc(-c3c(F)c(F)c(F)c(F)c3F)nc2s1.O=C(CBr)c1c(F)c(F)c(F)c(F)c1F"]
["145431710","Fc1c(F)c(F)c(-c2ncc(C(F)(F)F)cn2)c(F)c1F"]
["82992333","CC1(C)C2=NNC3=NC(=C4CCCCN4)C(=O)C4CN5CC6CC6C5CN4C(=O)N1CC32"]
["160571453","CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)C2CCCC3CCCCC32)C1"]
["29142398","C[C@@H]1CN2c3c(F)cc(C#Cc4ncccn4)cc3CC3(C(O)=NC(=O)N=C3O)[C@H]2[C@H](C)O1"]
["83922745","CC1(Cc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)o2)CC1"]
["160162926","Cc1nc(C(=O)N2CCC(n3c(C)nc4c3CCCC4)C2)c(=O)[nH]c1C"]
["29865499","CC1(C)C(=O)N(C2CCC3CC4CC2CC34)N1C(=O)c1cccc2c1OCO2"]
["168689826","Cc1ccc(-n2nc(C(C)C)c3c2NCCCC3)c(C)c1"]
["99579717","C1=Nc2ccccc2/C1=C1/NC2=C(NCCCC2)S1.Cl"]
["172001485","CN(C)CCON=C([O-])[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O.[Na+]"]
["69615120","CC1=NNC2=C3N=c4cc5c(cc4=C3CCCC12)S(=O)(=O)CC(=O)N5C"]
["90588619","CC1(CO[Si](C)(C)C)C(O[Si](C)(C)C)CCC2(C)C1CC(O[Si](C)(C)C)C1(C)Oc3cc(-c4ccncc4)oc(=O)c3C(=O)C21"]
["173520730","N=C1NCC(c2nnc([C@@H]3CCC4CN3C(=O)N4OS(=O)(=O)O)o2)N1"]
["198514165","Fc1c(Cl)ccc(-n2cnnn2)c1-c1ccc(C(Cc2ccc(C(F)F)cc2)n2cc(-c3cn(C(F)F)nn3)cn2)nc1"]
["MCULE-2251757463","Cc1cnc(N=C(O)CC2CC2)c(-c2cnn(C(C)C)c2)c1"]
["22733338","Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)C(C)c4ccc(CC(C)C)cc4)C3)c2n1"]
["50062410","COc1cc(-n2cnnn2)c(Cl)cc1C(O)=NCCC(O)=NC1CCCCC1"]
["105866184","CO[C@@H](CN=C(O)c1sccc1-n1cnnn1)c1ccccc1"]
["MCULE-5591738839","COc1ccc2nnc(CCC(O)=Nc3ccc(-n4cnnn4)c(OC)c3)n2n1"]
["194018712","COc1ccc(Cc2nc(=O)n(-c3ccccc3Cl)c3cc(C4CC4)ccc23)cn1"]
["170581411","COC(=O)[C@H](C(C)C)n1cc(-c2cnc(Cl)nc2)nn1"]
["64689254","Fc1cccc(-n2cnnn2)c1F"]
["177077678","Cc1cccc(C)c1-c1cc(F)ccc1-n1cccn1"]
["159032906","C=C(C)C[C@@H](c1ccc(F)c(Cl)c1O)N1CCOCC1"]
["135259667","COCCN(Cc1ccccc1)C(O)=Nc1ccc(C)c(-n2cnnn2)c1"]
["48739602","CC(=O)N1CCc2c(sc([N-][C+](O)c3c(=O)o[n-][n+]3C)c2C#[NH+])C1"]
["96384948","CC1CN(C(=O)c2cc3c(s2)CCC3)CCC1O"]
["MCULE-2776236086","CC(=O)N1CCN(Cc2cc(=O)c(OCCCCOc3ccccc3C)cn2CCC(C)C)CC1"]
["24347907","COC(=O)c1c(S(=O)(=O)N2CCCCCCC2)sc2c1CCN(C(=O)C1CCCO1)C2"]
["817957","CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(CC)C3)cc1"]
["88896933","CN1CCc2sc(C(C)(O)C(=O)O)nc2C1"]
["31642851","Cc1ccc2c3c(n(CC(=O)O)c2c1)CCN(C(=O)OC(C)(C)C)C3"]
["21755791","CC(=O)N1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1"]
["5910215","CCC1=C(C)Cc2sc3c(c21)c(=O)n(CC(=O)N1CCOCC1)c(=O)n3CC(=O)OC"]
["MCULE-6086672142","CCC1CN(C(=O)c2ccc(-c3ccc(C(C)=O)s3)c3ccccc23)CCN1C(C)C"]
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["MCULE-3997909075","CCCCN(C)Cc1cc(=O)c(OCC(=O)OC(C)C)cn1CCCCN1CCCC1"]
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["MCULE-9413660452","CCc1nc2ccc(F)cc2c(C(=O)NCCCCN2CCCC2)c1C"]
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["68482522","CCCCCCCCN1C=NC2=C3NN(c4ccco4)N=C3N=CN21.c1ccc(Cc2nc3c4nn(-c5ccco5)nc4ncn3n2)cc1"]
["49615290","CON=C1C[C@@H](c2nc(CCOC(=O)CN)no2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1"]
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["MCULE-5650417473","CC1(C)COCC(Cc2ccccc2)N1c1cc(Nc2cccc(F)c2)nc(Cc2ccccc2)n1"]
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["MCULE-9696467856","CCCCN(C)Cc1cc(=O)c(OCC(=O)N(CC)CC)cn1Cc1ccco1"]
["18445064","CCCCCn1c(=O)c2ccccc2n2c(SCc3cc(=O)oc4cc(CC)ccc34)nnc12"]
["62657023","CCN(CC(O)=[NH+]c1ccc2c(c1)C(=O)N(C)C2=O)Cc1ccccc1"]
["182656219","CCCCCCCCC(O)(CCc1ccccc1)C(OC)(OC)OC"]
["73533323","COC(=O)c1coc2c1c(C(c1ccnc(CCc3ccccc3)c1)N1CCN(C)CC1)c(O)c1ccccc12"]
["MCULE-4740458660","Cn1nc(N2CC(O)C2)nc1N=C(O)C(C)(C)N=C(O)OCc1ccccc1"]
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["49081595","CN1C2CCC1CC(CN=C(O)C1(C)CCCN1)C2"]
["195888281","CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C1CC1"]
["81095051","C1=CC2CC1C1N=CNC21"]
["33573304","Clc1ccc(N2C[C@H]3NCC[C@H]32)cn1"]
["92910677","CC1CCC(n2c(C(C)C)nc3c2CCNC3)C1"]
["84824858","c1ccc(C2CNCCC23CCN(C2CC2)C3)cc1"]
["52992438","CCN=C(O)C1CNCCN1Cc1cncn1C1CC1"]
["111720326","CC1(O)CCN(c2cccc(=N)[nH]2)C1"]
["174973579","CN1CN(C)C(C(=O)C=O)C2N=CNC21"]
["197399794","Cn1cnc(Cl)c1C1CCCN1"]
["198890772","O=C(O)C1(n2ncc(C3CC3)n2)CCC2(CCC2)CC1"]
["32887619","CC1=[C+]C(C)C=C(C)C1=[Si]1C(C(=C=C2[Si](=C3C(C)=C[C-](C)C=C3C)c3c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc3C2([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C([Si](C)(C)C)c2cc(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c21"]
["166538685","Cc1c(C(CC(=O)O)c2ccc3c(c2)C(N2Cc4cccnc4O[C@H](C)C2)CC3)ccc2c1nnn2C.Cn1nnc2cc(C(CC(=O)O)c3ccc4c(c3)C(N3Cc5cccnc5OC(C)(C)C3)CC4)ncc21"]
["96899050","C/C(=C/C(C)=N/c1c(C)cc(C)cc1C)[N-]c1c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc1C([Si](C)(C)C)[Si](C)(C)C.[Li+]"]
["77085693","CCN(CC)c1ccc(N2CC=CCCC(O)=NCC(C)OC(=O)C3C4C=CC5(O4)C3C(=O)N(CCCCCO)C5C2=O)cc1"]
["97573573","C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c([Si]23c4ccccc4C(c4ccccc42)[Si]2(c4c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc4C([Si](C)(C)C)[Si](C)(C)C)c4ccccc4C3c3ccccc32)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C"]
["101023398","Cc1cc(C)c(C2=NO[Si]3(c4c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc4C([Si](C)(C)C)[Si](C)(C)C)c4ccccc4-c4ccccc4C23)c(C)c1"]
["175817834","CC1(C)OB(O)c2cnc(Nc3cc(N[C@H](CO)c4ccccc4)c(-c4nc(-c5ccccn5)no4)cn3)nc21"]
["163531505","CC#C[C@@]1(F)C(O)C([C@H](C)O)OC1n1cnc2c[nH]c(=N)nc21"]
["180731993","COCC(=O)CC[C@H](C)Nc1nccc(C2=C(c3cnc(N)c(OC)c3)CC(C(C)(C)C)=N2)n1"]
["99799412","Cc1ccc(OCc2ccc(C(=O)N(C)CCC#N)cc2C)c(-c2csc(N3C[C@H]4CC[C@@H](C3)C4C(=O)O)n2)c1"]
["103034201","Cc1cc(C)c([Si](O)([Se-])c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C)c1"]
["32569026","Cc1cc(C)c([Si](B2OC(C)(C)C(C)(C)O2)(c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)c(C)c1"]
["147809888","F[B-]1(F)n2c(cc3c2=CC(c2ccc(C(F)(F)[F+])cc2)=[S+]3)=C(C(F)(F)F)c2cc3sc(-c4ccc(C(F)(F)F)cc4)cc3n21"]
["17735795","O=C(CN1c2ccccc2Sc2ccccc21)Nc1ccc(C(F)(F)F)cc1"]
["66404776","NCCCCC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1"]
["90068450","CN1CC(C)(C)Sc2cc(C(F)(F)F)ccc21"]
["67331019","CC(NS(=O)[O-])C(=O)Oc1c(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2"]
["171749027","COc1cc(-c2ccc(C(F)(F)F)cc2)[nH+]c2c(C(F)(F)F)cccc12"]
["66073267","O=C(O)C1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2)CC1"]
["65187526","CC(C)c1oc(-c2ccc(C(F)(F)F)cc2)cc1CO"]
["174791105","OCCNCc1ccc(-c2cc3ncncc3s2)cc1"]
["63528171","O=C(C[NH+]1CCC(O)CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21"]
["13273373","CCn1c(CNc2ccc(C(F)(F)F)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21"]
["MCULE-1926570797","Cc1cncc(N=C(O)c2ccc(C(F)(F)F)cc2-c2cccs2)c1"]
["194108116","C1C2CC3CC4OC5CC1C1CC2CC2C3C42OC5C1.COC1OCOCOCOCO1.OC1OCOCOCO[SiH2]O1"]
["195426043","COC1OC(S)C(O)C2CC1OC(C)(C)O2"]
["101274939","COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@@H](O)[C@H]13)[C@H]4NC2"]
["185955153","CC(=O)O[C@H]1CC2C([C@@H](O)C[C@@]3(O)C[C@@H]4O[C@@H]4C[C@]23C)[C@@H]2C[C@@H]3[C@H]([C@H](C)[C@H]4O[C@]45OC(=O)[C@@](C)(O)[C@]35C)[C@@]12C"]
["26336544","CC(CN)CC[C@H]1O[C@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C"]
["97904383","CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@@H]([C@@H]3CO[C@@H]3C[C@@H]2O)[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](N=C(O)[C@H](O)[C@@H](N=C(O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C"]
["48610936","CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C"]
["164410232","CCOC(=O)CN(C(=O)N1CCOCC1)[C@@H]1C[C@@H]2CO[C@H](C(C)C)C[C@@H]2C1"]
["48650426","CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C5C[C@@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H](C(=O)C23)C14"]
["154058630","CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)N3CC3)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](N=C(O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C"]
["149678648","CC(=O)OC1CCC23CC(CCC2C1(C)C)C1CC2OC(O)(C(F)(F)F)CC(C)C2C1(C)CCCC3C"]
["154243665","CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](O)[C@H]23)[C@@H]14"]
["175315990","C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)C(C(N)CC6N=NN=N6)C(S)CC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C"]
["68196105","CC(C)(O)CNC1C2(C)CCC(C2)C1(C)C"]
["312451","C[C@H]1[C@@H](O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C"]
["92990544","CCC1CN=C(NC2C3(C)CCC(C3)C2(C)C)S1"]
["SN0098222-03","C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C/C(=C\\c6cccc([N+](=O)[O-])c6)C(=O)C(C)(C)C5CCC43C)C12"]
["173574525","C=C1CC23CCC45C(CCC6C(C)(N)C(NC)CCC64C5C)C2CC(C#N)=C13.CC.CC"]
["153265795","C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\\Nc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]
["73665387","C=C(C)[C@@H]1CC[C@]2(N(C)C(=O)c3cccc(C(=O)O)c3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]
["177376106","CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)COC=O)CC[C@]54C)[C@H]2[C@H]1OC3"]
["81639080","CC1(C)CCC2(CCO)CCC3(C)C(C(=O)CC4C5(C)CC(C#N)=C(O)C(C)(C)C5CCC43C)C2C1"]
["90862027","C=C(C)C1CCC2(C)C(CCC3C(C4(C)CCC(O)(C(C)(C)O)O4)CCC32C)C1(C)CCC(=O)O"]
["80924398","CC1C[N+]2(Cc3ccc(C#N)cc3)CC(OCc3ccccc3)(c3ccccc3)C3CCC1C32C.[Br-]"]
["68107789","C[C@@H]1CC(CNS(C)([O-])O)=[O+][C]2[C@H]1[C@@]1(C)CC[C@@]34C[C@@]35CCC(O)C(C)(C)[C@@H]5CC[C+]4[C@]1(C)[C@H]2O"]
["167302976","COc1ccc2c(c1OC)CC[C@@H]1C(C)(C)[C@H](O)CC[C@@]21C"]
["151406765","C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@@H]1[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)[C@H]5CC[C@H]4[C@]1(C)[C@H]3O"]
["119075942","CC1(CO)CCCC1NC1CCN(c2ccccn2)CC1"]
["180294415","C=C[C@H](CCCC(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C"]
["82479601","CC1(C)C(O)CCC2(C)C1CCC1(C)C2CCC2C3CCCC3(C(=O)OCc3ccccc3)CCC21C"]
["157269902","C[C@H]1[C@H](C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12"]
["132342393","Cc1cc(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)ccc1O"]
["177352956","CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CC[C@@H](C(C)C)[C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]
["150172723","CCOC(C1CC(C)C2C(O1)C(O)C1CC3(CCC12C)C(C)C31CCC(O)C(C)(C)C1CC)C(C)(C)O"]
["194885449","COC(=O)C1(C)CCCC2(C)C3=C(C(=O)CC12)C(C)C(=CC(=O)O)CC3"]
["98040982","C=C1CCC2[C@](C)(COC(=O)CCCC)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1\\C=COC1=O"]
["172327219","C1=NC2=NC(C3C(C4N=C5N=CN=C5S4)=C(C4N=C5N=CN=C5O4)ON3c3cc4nn[nH]c4nn3)=NC2=N1"]
["166588966","Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1C[C@@H]2CN(c3cnc4[nH]nnc4c3)C[C@@H]2C1"]
["101318435","O=C(c1ccc2nn[nH]c2c1)N1C=C2CN(C(=O)OC3(c4cccc(Cl)c4)CC3)C[C@@H]2C1"]
["145315257","NC1CCN(C(=O)c2cccc(-c3cnc4[nH]nnc4c3)c2)CC1"]
["172663732","O=C(c1ccc2nn[nH]c2c1)N1CCC2(CC1)CC(CN1CCCC1)OC2=O"]
["16782777","C[C@@H]1SC2=NC=NC(=O)C2=C1c1ccc(Cl)cc1"]
["197665240","CC1(C)C(CN)C1c1cnc2[nH]nnc2c1"]
["160075208","CC1CCN(C(=O)c2ccccc2N=C(O)c2cnc3[nH]nnc3c2)CC1"]
["159984066","Cc1cccc(NC2CCN(C(=O)c3cnc4[nH]nnc4c3)CC2)c1"]
["158669443","C[C@@H]1CCCN(C(=O)c2cnc3[nH]nnc3c2)[C@H]1CO"]
["160077748","CN1CN(C(=O)c2cnc3[nH]nnc3c2)CC1=O"]
["138716906","CC1Oc2c(cccc2C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)N=C1O"]
["178489503","c1ccc(Oc2ccc3c(c2)C2=Nc4c5ccc(Oc6ccccc6)cc5c5n4[C@@H]4[C@H]6Cn7c(c8cc(Oc9ccccc9)ccc8c7=[NH+]5)=[N+]=c5c7ccc(Oc8ccccc8)cc7c(n56)=NC3N24)cc1"]
["147639901","Cc1ccc(/C=N/N(C(=O)c2cccc(Oc3ccccc3)c2)c2nc3ccc(F)cc3s2)cc1"]
["147535644","O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2CCc3ccccc3C2)C1"]
["64605158","CCC(Oc1ccc2c(c1)C(c1ccccc1)N(C(=O)C(C)C)CC2)C(O)=NCCC(C)C"]
["44133319","OC(CC(c1cccc(Oc2ccccc2)c1)c1cn(Cc2ccccc2)c2ccccc12)=NCc1cccnc1"]
["139615609","CN1CCCC(CN(C)C(=O)c2cc(Oc3ccccc3)ccn2)C1"]
["139307860","Cn1cc(C2CCN(C(=O)C(=O)Nc3cccc(Oc4ccccc4)c3)C2)cn1"]
["25871916","FC(F)(F)c1cc(Oc2ccc(Oc3ccccc3)cc2)ccc1OCC=C(Cl)Cl"]
["25291837","CN1[C@@H]2CCCC[C@H]2N(C)P1CCCCc1cccc(Oc2ccccc2)c1"]
["151577364","SC1=N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@H]2CCCO2)N1c1ccc(Oc2ccccc2)cc1"]
["110947312","Cn1ccnc(N2CCC(c3cccc(Oc4ccccc4)c3)C2)c1=O"]
["169834826","CCCNC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O"]
["168413010","C1=CC2CCC1c1nc3c(nc12)C1=NC3=NC2=NC(=NC3=NC(=C4N=C5C6=CC=C(CC6)C5NC34)Nc3[nH]c(c4c3NC3C5=CC=C(CC5)C3=N4)N1)C1Nc3c4ccc(c3N=C21)CC4"]
["178702340","C1=CCC(C2=NC(C3C=CC(c4ccccc4)CC3)=CC(C3=CC=C(C4C=CC5=C(C4)OC4C=CC=CC54)CC3)N2)C=C1"]
["170796619","Cc1nc(C)c(-c2ccc3c(c2)CCN(c2nc(O)c4nc[nH]c4n2)C3)c(N2CCC(C)(C)CC2)c1CC(=O)O"]
["16090026","C=C1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H]4CCCc5c4[nH]c4ccc(C)cc54)[C@H]3C[C@H]12"]
["176321711","Cc1cc(=Nc2cnc(NC(O)=NC3CCNC3)cc2C=N)cc[nH]1"]
["90760399","CC(C)C12CCC3(C)C(C)CCC(O)C3(CC1)C1=C2Cc2[nH]c3ccccc3c2C1"]
["195708191","O=CC1=Nc2c(cccc2C2C=CC=CC2)CC1"]
["175679420","O=C(N=c1cc[nH]cc1)C1CCC(Cn2c(O)nc3ccc(/C=C/CO)nc32)CC1"]
["195093454","COc1ccc2c3c1C(=O)CC(C)(C)N3C(=O)[C@]21C[C@]2([NH+]([O-])O)CN3CCCC[C@H]3C[C@@H]2C1(C)C"]
["154695649","C1=CC2CC3Cc4c5[nH]c(c4CC3CC2C=C1)NC1=NC(NC2=NC(=NC3N=C(N5)c4cc5cc6ccccc6cc5cc43)c3cc4c(cc32)CC2C=CCCC2=C4)c2cc3cc4ccccc4cc3cc21"]
["170842249","CC1=Cc2c(n(-c3cc(-n4c5c(C)cc(C)cc5c5cc(C)cc(C)c54)c(C4NC(C5=CC=CCC5)=NC(c5ccc6c(c5)C5CC=CCC5C6(C)C)N4)cc3C#N)c3c(C)cc(C)cc23)C(C)C1"]
["184331377","C1=CCC(C2N=C(C3=CC=CC(c4ccccc4)C3)NC(c3cccc(-c4ccc5c(c4)CCc4ccc6sc7ccccc7c6c4-5)c3)=N2)C=C1"]
["91483383","NP(N)(N)=NP(N=P(N)(N)N)N=P(N)(N)N"]
["61893652","NP(F)(F)=NP(F)(F)=S"]
["188993040","C=CCOP(N=P(N=P(N)(OCC=C)OCC=C)(OCC=C)OCC=C)OCC=C"]
["170465367","CC(C)N=P([Se-])(C(C)(C)C)C(C)(C)C.CC(C)N=P([Se-])(C(C)(C)C)C(C)(C)C.[Zn+2]"]
["79378124","CCCOP(NP(=NP(N)N)(OCCC)OCCC)OCCC"]
["91198440","C=P(NN)(NN)NN"]
["182207943","NP(=O)(OS)OS"]
["178489768","NP(F)(F)=NP(F)(F)=NPF"]
["190791134","NP([O-])(F)=S"]
["188930521","CC(C)(C)P(N=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C"]
["178016507","CN=C(C)N=S(C)(N)=O"]
["78110981","NP(N)(=O)[S]"]
["66763986","O=S(=O)(CCC(F)(F)F)C(c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)C(CC(F)(F)F)C(F)(F)F"]
["101093530","CC(C)(C)P(CC([OH+]B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)C(F)(F)F)C(C)(C)C"]
["67203043","O=S(=O)(OCC(O)CO)OCC(O)CO"]
["148240336","C[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)O"]
["46673762","C/C(=C\\c1c(F)c(F)c(F)c(F)c1F)C(=O)O"]
["88314271","COc1cccc(C(=O)CCC(F)(F)F)c1F"]
["23931371","CC(CC(F)(F)F)NCC1CCN(c2cnn(C)c(=O)c2)CC1"]
["190806693","CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)c(F)c1F"]
["83073926","O=S(=O)(c1ccccc1)C(CC=Cc1ccccc1)C(F)(F)F"]
["48782182","CCN1CCCC(CNS(=O)(=O)CC(F)(F)F)C1"]
["181534014","CCCCC(=O)OC(F)(F)CCCC(F)(F)F"]
["150795576","OC[C@@H](CC(F)(F)F)Nc1ccc(Br)cn1"]
["191326704","II.[C-]#[N+]CC(=C=[N-])[N-]N[C-]=C(C)[C+](C)C(C)=[C+]C.[W]"]
["191039458","C1COCCN1.[C-]#[N+]CC(=O)N1CCOCC1.[C-]#[N+]CC(C)=O"]
["65597927","[C-]#[N+]CC(=C)OC"]
["186890089","CCOC(=O)/C(CC(C)=O)=N\\I"]
["91180932","CCOC(=O)C([N+]#N)=[Ge-](C)(C)C"]
["182814802","CC(=O)CCC#CN=[N+]=[N-]"]
["68206476","[C-]#[N+]CC(=O)SCCN(C)C"]
["164957889","CCOC(=O)C(=NNc1ccccc1)NCCOc1ccccc1"]
["50168597","[C-]#[N+][C@](C/C=C/I)(CC(C)=O)/C(O)=C/[N+]#N"]
["69457027","CCOC(C=C(C#N)C#N)=CC(=C=[N-])C#[NH+].CNC"]
["33556996","CC(=O)CCC#C[Si](C)(C)C"]
["62702168","[C-]#[N+]C/C(C#N)=N\\N[C]/C(C)=C(/C)C(C)=CC.[W]"]
["79082450","O=C=[N+]CCCCCC[N+]=C=O"]
["183356771","[C-]#[N+]CCCN=C=O"]
["174716202","CCCCCCCCCCO.N=C=O"]
["60124954","[C-]#[N+]CCCCC=C"]
["79194309","CCCCCCCC([O])=C=O"]
["164720967","[C]#[N+]CCCCC"]
["79146340","CCC=C([C]=O)CCCCCC"]
["79967020","CCCCCC/C=C\\C[C]=O"]
["26432455","O=[C]CCCCCCCCCCCCCO"]
["26598448","NCCCCCN[C]=O"]
["24874368","CCC(C)OC(=O)CN=C=O"]
["174484390","O=C([O-])CCCCCOS(=O)O"]
["100857445","[BH2-]1C2C3C[B-]123"]
["145767295","C1CC2CCC1N=N2.[B]"]
["25284278","ClC1CC1(Cl)Cl"]
["178435116","C=PC1OCC(O)CO1"]
["174621886","OB(OC1CC1)C1CC1"]
["162824183","NC[C@@H]1C2C=CC(CC2)[C@@H]1CN"]
["162500985","Cl.N=C(O)C1(C(O)=NC2CNC2)CCC1"]
["157918304","C[C@H]1CN(C(CN)CN)S(=O)(=O)C1"]
["25859109","OC1CCC[C@@H]1O"]
["179145017","N=C(O)C1(CN)CC1N"]
["172123748","SC1C=[O+]C1"]
["97539719","[B+]1C2C3C[B-]123"]
["180170071","CC1C(I)C(F)C(F)C2C1C1C(I)C(I)C(F)C(F)C1C21N=CC2C(I)C(F)C(F)C3C4C(F)C(F)C(I)C(C)C4C1C23"]
["92478496","CC1CCCC(n2c(S)nc3c(F)cc(F)cc32)C1C"]
["154978743","C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)c1cccnc1SCC(F)(F)F"]
["74112741","CC1C(I)C=NN1C"]
["179736666","CC1CC2CC(I)C(F)C(F)C2C1(F)F"]
["158896883","C[C@@H]1CCC[C@@H](C)N(C(O)=Nc2cn(C)nc2C(F)(F)F)C1"]
["184613536","C[C@@H]1[C@@H]2C=NN(C)[C@H]12"]
["184613535","C[C@H]1C2C=NN(C)C21"]
["184610756","CCCC1C(F)C=NN(C)C1C"]
["56280192","CC1CCCC(NC(C)(C)C)C1C"]
["184506234","FC1C(F)C(I)C1I"]
["82485696","CC(C)C1C=CC(C)(C2C3C=CC(C)(C)C4C(C)C(C2C3C)C4C(F)(F)F)C=CCC1C"]
["97817956","CCCCC[N+]1=C(CCc2c(=[N-])o[n-][n+]2CCCCC)C(=[N-])[O+]=N1"]
["145550493","CCCCC[n+]1cc(CCC(=O)OC)n(CCCC)c1"]
["33847949","CCCCc1cc2ccccc2n1[Si](C)(C)C"]
["52310548","CCCCCC1=Nc2ccccc2N=C(c2ccccc2)C1"]
["184137000","[B+]=C1S[C-](C2=C=C(CCCCCC)C(C(C)C)=[S+]2)C=C1CC(CCCC)N=C"]
["163598082","C=C(C)c1cc[n+](CCCCCCCC)cc1"]
["193557586","C.CCCC[P+](CCCC)(CCCC)CCc1ccccc1-c1cc(C)c2c(c1)=CN1c3ccccc3N3C=c4cc(-c5ccccc5CCC)cc(C)c4=[O+]C31[O+]=2"]
["79875894","CCCCCc1ccc(O)c(/N=N/c2ncccc2O)n1"]
["182765472","CCCCCCCCCC=CC=CC=CC=CC=CC(=O)Oc1ccc(N=[N+]=[N-])cc1O"]
["25714402","CCCCCN=c1[nH]c(C)co1"]
["MCULE-8229866761","CCCCOc1nonc1C(O)=Nc1ccc(C)cc1"]
["79351525","CCCCCCCCCCCCCCCCCCc1n(CCCCCCCCC)cc[n+]1CCCCC"]
["83528422","CC(C)(C)C=C1CCC2=C1CCC1(C(=CC(C)(C)C)CCC1=CC(C)(C)C)C2C(C)(C)C"]
["52178222","COP(=O)(C=C1CCC(C(C)(C)C)CC1)OC"]
["194943472","C/C1=C/CC[C@@](C)(O)/C=C/[C@@H](O)CC/C(C)=C\\CC1"]
["158514507","CCN1CCCN(C(=O)CN2C(=O)C3(CCC(C(C)(C)C)CC3)N=C2O)CC1"]
["58726768","COCCOCCN1CC(C(C)(C)C)NCC12CCCC2"]
["198389864","C=C/C=C1/CN(C(C)(C)C)CCC1=NC=C"]
["84140530","CC1C(=O)CCC(c2ccccc2)(c2ccccc2)C1O"]
["160872489","CC1(O)CCN(C(O)=NC2CC(C(C)(C)C)C2)C1"]
["184658043","CC1CC(=CC(C)(C)C)CC1C"]
["177211647","CN1CCC/C(=C\\C(C)(C)C)C1"]
["147691812","[2H]C1([2H])C[C@H]2C3=C(CC[C@]2(C)C1=O)c1ccc(O)cc1CC3"]
["110403196","C=C1CC[C@]2(C)CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C1"]
["185940262","CB1NC2CC3C(CB4NCCCN4)C(C3(C)C)C2(C)N1"]
["188615223","C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](C(=O)O)[C@@]13CCC(C[C@@H]21)[C@@H](CO)C3"]
["162281251","CC1C(CO)C(C)C2CC1C2(C)C"]
["144834497","CC1(C)CC(CC2CCCN2)CN1"]
["59629927","C[C@@]1(CO)C[C@@H](O)C[C@@]2(C)C1[C@H](O)C[C@@]13CC4[C@@H](CC12)[C@@]4(C)C3"]
["43463767","CC1CN(C(=N)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)CCN1"]
["158066639","C[C@@H]1NCC[C@H]1C1(C)CCCC1"]
["120290590","CCC1NC2(CC2)C(=O)N1C1CCCC(SC)C1"]
["157795813","C[C@]1(O)CCNC[C@@H]1SC1CCCC1"]
["173233851","CS.OCCCC1(c2ccc(Cl)c(Cl)c2)CCCNC1"]
["34447030","COC(=O)CSCC1[C@@H](O)C[C@H]2C[C@@H]1C2(C)C"]
["108991417","CC(O)=N[C@]1(C)[C@@H](C)[C@H]2C[C@H]1[C@H](C)C2(C)C"]
["29359301","CC1C=CC(N(CCN(C2C=C[C@@H](C)[C@@H](C)C2C)C2C=C[C@@H](C)[C@@H](C)C2C)CCN(C2C=CC(C)C(C)[C@@H]2C)[C@H]2C=CC(C)C(C)[C@@H]2C)[C@@H](C)C1C"]
["160573017","COCCC1N=C(O)N(C2C(C)C(OC)C2(C)C)C1=O"]
["144072132","CC1CC(C)CC(N=C(O)N(C)CCCn2ccnc2)C1"]
["81783522","CCCO[C@@H]1[C@@H](O)[C@@H](OCC)O[C@@H]1[C@@H](COCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1"]
["150438905","CC1C=CC2=CC(O)CCC2C1C"]
["187989272","CC1C=CCC(C(F)(F)F)C1C"]
["53890791","CCCN(CCC)C1C=CC(OC)C(OC)[C@@H]1OC"]
["468570","CCCN(CCC)[C@@H]1C[C@H]1c1cc(F)ccc1OC.Cl"]
["115317272","CC1SCCC1N(C)CC1CCCNC1"]
["55233426","CC1CCC(CN(C)C2CCCC2CN)CC1"]
["32820307","CC(=O)OCC1=CC(=O)C[C@H](C)O1"]
["180941289","COc1ccc(F)cc1C(C)(C)CC(O)(CN(CCCC=O)C1C=CC=CC1N)C(F)(F)F"]
["75213328","SC1=C(S)C(=C2C3=C(SCCS3)C3=C2SCCS3)C(S)=C1S"]
["159500754","C=CC(O)=NC1=NCCS1"]
["142334710","CSC(C)CC(O)=NC1=NCCS1"]
["76031425","SC1=NCCS1.c1ccccc1"]
["43852016","CC=C1SCCS1"]
["61956291","O=C=C1[N]CCS1"]
["158765669","N=C1C=CC=C2SCN=C12"]
["172756437","CN1C(=O)C2=C(SCCN2)C1=O"]
["54635949","CN(S)C1=NCCS1"]
["91229286","OCCN=c1nc(S)ss1"]
["64082150","CC(C)=C1SCCS1"]
["14612769","CN(C)C(O)=N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl"]
["192036371","NC1(N)OC2(P)OOC2(N)C1(N)N"]
["73556443","FCC1(P)OC1(F)P"]
["182297860","NC12CCC(N)(CC1)O2"]
["195299088","CC1=C(C)C(N)(N)OC1(N)N"]
["183685338","NC12CC1OO2"]
["171782093","NC1(N)OOOOC12CCCCC2"]
["190726335","C=NC1(N)OC1(N)N"]
["184406017","CC1(N)OC1NN"]
["172344137","NC12OP(=O)(OC1C=O)O2"]
["93500569","CC1(C)CCC(N)(C2CC(C)(C)OC2(C)C)CC1"]
["81837396","NC12COB(OC1)OC2"]
["43624910","NCP(CO)CO"]
["173079359","C=C([C+]=C(C=[N+]=C=N)NS(C)([O-])[O-])C(=N)[O-].[In+]"]
["82276584","CC(NC(=N)N)S(C)(=O)=O"]
["60100078","CNCC(CNC)(CNC)CNC(=N)O"]
["150376478","C/C=C(/C)NOS(C)(S)S"]
["195159261","C=NC(=NC)NS(C)(O)O"]
["150267050","C=C(C)C(C=C=CC(=C)C(C)=N)=CC"]
["45816542","CC(C)=CC(N)C(=N)O"]
["171707066","N=C(O)C[NH-].[CH+]=CC(C)=C=C(C)[O-].[In+]"]
["66199907","C=C(N[N+]#N)C(=O)[O-]"]
["101597941","CS(=O)(=O)C(C=C(O)C(=N)O)=CC(C=O)S(C)(=O)=O"]
["194107128","C=C(C)[O-].CC(C)NC(O)[C@H](O)CS(C)(=O)=O"]
["174871241","C=C(C)C(=N)O.C=C=CS(=O)(=O)O"]
["46767098","BrC1O[CH-][CH-]O1.[Mg+2]"]
["174463946","CC1OC1Br.CC1OC1I"]
["151135996","O=C1O[C@@H](Br)[C@@H](Br)O1"]
["179571703","CC(Br)C1OC1Br"]
["65277757","O=C1CCC2CC12Br"]
["108876370","O=C1OC[C@@H](O)[C@H]1Br"]
["151135998","O=C1O[C@H](Br)[C@@H](Br)O1"]
["192640925","FC1COCC(Br)O1"]
["161718379","O=P(O[C-]1[CH-]C[Cl+]C1Br)(O[C-]1[CH-]C[Cl+]C1Br)O[C-]1[CH-]C[Cl+]C1Br"]
["26007557","BrC1[CH]CC1"]
["99238522","[CH-]C1[CH][CH-]1.[Mg+2]"]
["25093819","BrC1COCCO1"]
["161871822","Cc1bc(C)c2n(F)c3c(C)n(F)c(C)c3c(CBr)c1-2"]
["27165119","CCN(CC)CCC(C)CN=C1c2cccc3cccc(c23)N1CCN(CC)CC"]
["MCULE-4763005316","Cc1c(C=O)c2c(CN(C)C)c(O)c(Br)cc2n1C"]
["10561054","CCN(CC)CCCN(C)C(=O)c1nc2[nH+]cc(Br)cn2n1"]
["125950404","COc1ccc(CC(C)CN(C)C(=O)Cc2c(C)nn(C(F)F)c2C)cc1"]
["163052819","CC(C)(C)c1cccc(C(C)(C)C)c1CBr"]
["111213549","C[C@@H](NC(=O)c1ccc(CBr)cc1)C1CCCCC1"]
["185476179","BrCc1c(Br)ncnc1Br"]
["120233008","CN(Cc1cccnc1)c1cccc(F)c1CBr"]
["100949389","COc1c(Br)c(CBr)c(-c2c(CBr)c(Br)c(OC)c(OC)c2OC)c(OC)c1OC"]
["171012467","N#Cc1cc(Cl)cc(F)c1CBr"]
["174657934","CCc1c(C)n(Br)c2cccc(C)c12"]
["76447757","O[As-]O[As]=[OH+]"]
["187072265","OOC=[OH+].[Li+].[Li+]"]
["78193044","CO[Si](O)(O)OC(C)C"]
["158598625","COC(=O)OC.S"]
["79321036","C=CC(O)=N[N+](C)(C)[O-]"]
["79834347","NCC(=O)OCl.O.[Zn]"]
["79372833","O=[PH2]OP(O)O"]
["191210956","OOC(O)=[OH+].P"]
["162278223","COC1C(O)C[P+](=O)C(O)C1O"]
["79834336","NCC(=O)OCl.O.[Zr]"]
["79898807","NCC(=O)OCl.O"]
["174687142","NCC(=O)OCl.[H-].[Na+]"]
["172924934","OC1[C@@H](O)[C@H](O)C(OP=S(O)O)[C@H](O)[C@@H]1O"]
["42829131","CC(C)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O"]
["96582624","[N-]=[N+]=NCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]
["194991776","CC(=O)OC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O"]
["48112545","CC(C)(C)O[C@@H]1C(C(=O)[O-])O[C@H](O)[C@H](O)C1O.[Na+]"]
["199395563","CO[C@@H]1[C@H](O)[C@@H](O)[C@@H](C)O[C@H]1O"]
["64288887","CO[C@H]1[C@H](OC)COC(C)[C@@H]1O"]
["195113883","N#C/C(OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O)=C(\\C=C\\C(=O)O)CC(=O)O"]
["57799329","CCCCB([O-])OC1[C@@H](OB([O-])CCCC)[C@H](O)C(O)[C@@H](O)[C@H]1OB([O-])CCCC"]
["104873861","OC[C@@H]1O[C@@H](OC2[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O"]
["111026478","NC1CCCCC1.NC1CCCCC1.O=P(O)(O)OC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O"]
["145226544","NOP(=O)(OC[C@@H](O)CO)OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O"]
["79802932","CCC[SiH2][SiH](CCC)[SiH](CCC)[SiH](CCC(F)(F)F)[SiH](CCC(F)(F)F)[SiH2]CCC(F)(F)F"]
["74157747","CCCC(F)(F)CC1(C)CC1"]
["79574197","C=C[Si](C)(O[SiH2][SiH2]O[SiH](C)CCC(F)(F)F)[SiH2]O[SiH](C)C"]
["191394885","CCCCCCC([N+](C)(C)CC)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CCCCC[N+](C)(C)CC"]
["100730247","CCCCCC(F)(F)C(C)C"]
["25345019","CCCC(F)(F)S([O])(=O)=O"]
["79833307","CO[SiH](OC)C(CCNCCC(CCC(F)(F)F)[SiH](OC)OC)CCC(F)(F)F"]
["49014179","CCCC(CO)(CCC)NCC(F)(F)F"]
["171163044","COc1ccc2cc([C@H](CCC(F)(F)F)N3CCNCC3)ccc2c1.Cl"]
["95353330","CCOC(C(O)CCC(F)(F)F)C1CCCCC1"]
["114377475","CCCC(CBr)(CCC)CN(CCO)CC(F)(F)F"]
["42024059","C[Si](CCC(F)(F)F)O[Si](C)(C)C"]
["179050621","C=I12CCC(CC1)[C@]1(CN=C(Nc3cc(N4C=IC=N4)ncn3)O1)C2"]
["169705677","Cc1cccc(Cl)c1N=C(O)c1cnc(Nc2cc(N3CCCC3)ncn2)s1"]
["182995704","CNc1cc(-n2nc(C)cc2NC2(/C=C/CN)CC(N=[N+]=[N-])=CC=C2C)ncn1"]
["100008434","OC(=Nc1ccccc1F)C1CCCN(c2cc(-c3ccccc3)ncn2)C1"]
["186931187","Cc1ncnc(C(=O)N2CC(C(O)=NCC3CC3)C3(CCOCC3)C2)c1C"]
["MCULE-8021554144","CC(O)=Nc1ccc(C)c(N=C(O)C2CCN(c3cc(C)ncn3)CC2)c1"]
["60599572","Clc1cccc(-c2cc(NN3NC[C@]4(CC5CCC4CC5)O3)ncn2)c1"]
["160913257","c1nc(NC2CC2)cc(N2CCOC(C3CCCCC3)C2)n1"]
["MCULE-7557079253","COc1ccc(Cl)cc1N=C(O)C1CCN(c2cc(C)ncn2)CC1"]
["186396374","OCC1CCCN1c1cc(NCCN=C(O)c2ccccc2)ncn1"]
["185149883","CC(C)(C)OC(=O)N1CCCCC1Oc1cc(Nc2cc(F)c(C#N)cc2F)ncn1"]
["170207564","Fc1cc(F)cc(Nc2cc(N3CCC(N4CCc5ccccc5C4)CC3)ncn2)c1"]
["91582067","Cl[Si]1=[Si-](Cl)(Cl)[Si](=[Cl+])[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["46791541","Cl[Si]12B3[Si+]1[Si]1(Cl)[Si]2=[Si-]31Cl"]
["168480665","C[Si]1(C)[Si](Cl)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C"]
["177186970","Cl[Si]1=[Si]=[Si]=[Si][Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["83060012","Cl[Si]1C[Si](Cl)(Cl)C1"]
["96534842","CC(C)(C)P1P(C(C)(C)C)P(C(C)(C)C)[Si](Cl)(Cl)P1C(C)(C)C"]
["195275011","CCC[Si]1(Cl)C[Si](Cl)C1"]
["195274969","CC[Si]1(Cl)CCC[Si](Cl)C1"]
["177186966","Cl[Si]1[Si]#[Si][Si](Cl)(Cl)[Si]1(Cl)Cl"]
["195275080","CC[Si]1(Cl)C[Si](Cl)C1"]
["97898391","Cl[Si]1(Cl)O[Si](Cl)(Cl)O[Si]2(Cl)O[Si](Cl)(Cl)O[Si](Cl)(Cl)O[Si](Cl)(O1)O2"]
["91573326","Cl[Si]1[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl"]
["169613459","CC(C)C1CCOC1C1COC(C2COC[C@H]2C(C)C)[C@@H]1N(C)C"]
["42343542","CN(C)C(=O)CCCNC1CCOCC1"]
["154970040","CC(C)[C@@H]1CCCC[C@@H]1N=C(O)N1CCO[C@H](C#N)C1"]
["196863800","CC(C)OCC1CCOC(C(C)C)O1"]
["159793740","CC(C)C1OCCCC1CN=C(O)NC1CCCc2c[nH]nc21"]
["93267401","CC(CC1CCOCC1)NC1COCC1O"]
["60001569","CNCC(C(C)C)N(C)CC1CCOCC1"]
["148265445","CC1CC(C(O)=NC(C)(CC(=O)O)C(C)C)CCO1"]
["160272952","CC(NC1CCOC1C1CC1)C(O)=NC(C)C1CC2CCC1C2"]
["101520279","CC(C)CCC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)CCC(C)C"]
["33671536","CN(C)/C(=N\\[N+](=O)[O-])N(C)CC1CCOC1"]
["156593238","CON[C@H]1CCO[C@H](C(C)C)C1"]
["97084491","N1=S=NC(=C2N=S=S=N2)S1"]
["163007143","CC(CF)NCc1csnn1"]
["96736827","Brc1ccc2c(c1)N=S=NS2"]
["47193741","O=C(N=C1N=S=NS1)c1ccc([N+](=O)[O-])cc1"]
["97289915","c1c2c(cc3c1=S=NS3)=S=NS2"]
["60074577","c1ccc2c(c1)N=S=NS2"]
["97272355","COc1ccc(C(=O)/N=C2\\N=S=NS2)cc1"]
["97126779","Clc1ccc2c(c1)SN=S=N2"]
["172544179","N=c1nc2[nH]cnc2nc(N)c2cccc1-2"]
["96571520","Cc1cc(=C2N=S=S=N2)ccc1=c1ccc(=C2N=S=S=N2)cc1C"]
["97852963","Fc1ccc2c(c1)N=S=NS2"]
["74558766","ClC1=[N+]C=NS1"]
["46969370","[2H]S(N=S)(=N[3H])=NN=NS"]
["78317142","[NH]C(N)=NS"]
["78626774","SB=NS"]
["110887767","S=NC(CCl)=NS"]
["110887765","FCC(N=S)=NS"]
["79043664","N=C(S)N=S"]
["182193920","SN=NCl"]
["69578747","N=S([N]N=NS)N=S"]
["174639044","C=C.N=C(S)N=S"]
["101195478","FC/C(N=S)=N\\S"]
["75049661","C[n+]1cscc1C=S.[O-][Cl+3]([O-])([O-])[O-]"]
["171737127","[2H]S(=S)(=S)S(=S)(=S)S"]
["199210584","COc1cc(OC)c(-c2c(OC)cc(OC)cc2P2(c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)(c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CCCCC2)c(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c1"]
["184427325","COc1cc(OC)c2cc(C3=c4ccc(C)c(-c5cc6c(OC)cc(OC)cc6oc5=O)c4=CCC3(C)C)c(=O)oc2c1"]
["113616187","COc1ccc(OC)c(NCCS(=O)(=O)C(C)(C)C)c1"]
["88008558","COc1cc(OC)c2c(C(C)(C)CN)c(C)[nH]c2c1"]
["143005481","COc1cc(OC)cc(C(O)CN=C(O)NC2CCCCCC2)c1"]
["155599821","COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1"]
["100256881","COc1cc(O)c2c(c1OC)OC(c1ccccc1O)C(OC(C)=O)C2=O"]
["170596924","Cc1cc(CN(Cc2cc(C)cc(C(C)(C)C)c2[O-])C[C@@H]2CCCO2)c([O-])c(C(C)(C)C)c1.[Cl-].[Fe+3]"]
["MCULE-6904352438","COc1cc(OC)c(-c2cc(N=C(O)COC(C)(C)C)ccc2F)c(OC)c1"]
["194916471","COc1cc(O)c(C=CC(O)=NC2CCCCC2)c(OC)c1C[C@H](O)C(C)(C)OC"]
["MCULE-2290094207","COc1cc(OC)c(-c2cnc(N=C(O)C3CCCN(C)C3)nc2C)c(OC)c1"]
["55765709","COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCC2)c1"]
["97204421","C[Si]1(C)C2=CCCC2=[Si-](C)(C)[C+]2CCC=C21"]
["195306220","CO[C@@H](C)C1=C(F)CCC=C1F"]
["MCULE-9454221107","CC(O)c1ccc(C2=CCCC2)cn1"]
["159778770","C1=C(c2ncc[nH]2)CC1"]
["180400182","O=CCC(S)C1=C(Br)CCC=C1N=CN1CCCC1"]
["175582584","CC(C)=N/C=C(\\C)C1=CC=C(C(C)C)CC1"]
["34164506","C/C1=C\\C(=O)C(C(C)C)OCC(=O)/C(C)=C/CC1"]
["195401546","C=NC(=Nc1cc(C)cc(C)c1)NC1=C(C)CCC=C(C)CC1"]
["78423820","BC1CC/C=C(/C)CC/C=C(/C)CCC1C"]
["159119228","CC1CC([C@H](N)C2=CCCCC2)C1"]
["113547574","CNC(C1=CCCCCC1)c1ncccc1Br"]
["75327229","CC(Cl)C1=CC=C(Cl)CC1"]
["91259616","Cl[P+]12PS[P+](Cl)(PS1)S2"]
["75024355","ClC1N=C[N]S1"]
["26392139","ClC1CSCC1Cl"]
["84065924","CC1(C)C(Cl)C(C)(C)C1Cl"]
["42348195","CN1CCC(Cl)S1"]
["25053544","O=[C]C1CCC1Cl"]
["25984820","ClC1CC(Cl)CC(Cl)C1"]
["74932294","CC(=O)C1SC(Br)=CC1Cl"]
["180416774","CC1SCC(Cl)CS1"]
["161700267","CC1C(Cl)C(C)C1Cl"]
["99345049","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.O"]
["18646536","CC1(C)C(Cl)C1(C)C"]
["97697884","C1=N[GeH2]N=C=N[GeH2]N=1"]
["26794437","C1=NN=1"]
["44326174","[C]1=NNNC1"]
["78220441","C1=NC=CN=1.[Cu]"]
["79502137","C1=NC=CN=1.C1=NC=CN=1.[Pd]"]
["181170885","C1=NC=CN=1.[Sn]"]
["25900748","C1=NC=CN=1"]
["172104322","CC1(C)N=C=N1"]
["185238853","C1=N[CH-]ON=1"]
["188039537","B1CN=C=NC1"]
["54864733","[C-]#CC1=NC(C#C)N=C=N1.[Y]"]
["194622306","C#C.FC(F)F"]
["175007525","[AsH2]N=N[AsH](Br)(Br)Br"]
["46759628","C[C-]=NN=[C-]C.[V+2]"]
["176041822","[AsH2]N=N[AsH2].[Ca+2]"]
["175028647","O[AsH](Br)(Br)N=N[AsH2]"]
["181033373","O=C(O)[AsH]N=N[AsH2]"]
["176420989","NN=C(O)/C=C/CBr"]
["184802453","[NH2+]=CCBr"]
["195955697","C=C(C#N)C=NC(=C)Br"]
["45204741","C[C-]=NN=[C-]C.[W+2]"]
["97214548","C[Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(Br)[Si](C)([Si](C)(C)C)[Si](C)(C)C"]
["174777813","N=N[AsH2].[Zr]"]
["182813353","[N-]=[N+]=NN(CCBr)CCBr"]
["179837541","SNCC[I+]CCI"]
["114929479","C=C(C)CCC(O)c1ccc(F)cc1I"]
["79264428","SC(S)=NCCCCCCCCCI"]
["179277265","C=C(Cl)CNCCI"]
["177571504","CNN(C)CCCCI"]
["95856222","CC1CN(CCNCC2CCCCC2)CC(C)N1C"]
["95459167","C=C(C)CCC(NCCC)C1CC1"]
["175140909","COC([SiH3])(CCNC(C)(C)C)OC"]
["97720795","COC(=O)C(F)(F)C(F)(F)C(F)(F)CCI"]
["174350491","ICCOCCOCCNI"]
["55793915","OCCNC1CCSC1"]
["186737952","CCCC(NC)C(CC)CCI"]
["172041337","C[N-]CC(=O)C[N-]CC[N-]C[C@@H](C)CO.[Pt]"]
["102922671","CCOC(=O)/C(=C/CCC(C)CO)CS"]
["74925664","CC(C)OC(=O)C(C(=O)CO)=C1SCCS1"]
["162793271","C[C@@H](CO)[C@H]1CO1"]
["91631983","COC(=O)C(N=C(O)C(CO)N=C(C)O)C(C)C"]
["161694055","CC[N+](CC)(CC)C(C)C.O=C(O)CC(=O)O"]
["67446759","C[N+](C)(C)C(CO)S(=O)(=O)[O-]"]
["107582765","CCCCNC[C@H](C)OC(=O)COC"]
["163879051","CC(=O)CC(C)CC(=O)CCC(=O)CC(C)CC(C)=O"]
["103192654","C[N+](C)(C[C@@H](O)CO)NC(=O)CCCCCCCCC(=O)N[N+](C)(C)C[C@@H](O)CO"]
["113003734","COC(CN=C(O)N(C)C(C)CO)C(=O)O"]
["178268922","CC(C)NN[C@@H](C)C(=O)N1[C@H](C)COC[C@@H]1C"]
["192353388","[BH2-]1C=C[CH+][CH+]1.[Cl-]"]
["93449514","C#CC(NC)c1cccnc1OC"]
["98675326","N=C(S)NN=CC=Cc1ccccc1Cl"]
["174039637","CC1=CC(C)=C(N/C(C)=C(/C)C2CCC(C)C2)C=NC=C1"]
["92244390","C#CC(NC)c1ncccc1Br"]
["100857108","C1=C[CH+][SiH]=C1"]
["111805552","C#CC(NC)c1ncccc1Cl"]
["157022872","C#C[C@H](NC)c1ncccc1Cl"]
["75134718","PC1=C[CH+][CH+]C=C1.[Cl-].[Cl-]"]
["45542695","Nc1cc2c(cc3n2CCN3)[nH]1"]
["55094423","C#CC(C)(C)Nc1ncccn1"]
["177786628","[CH2]CC(NC)NC.[Cl-].[Mg+]"]
["166823258","BS12CS(C)(C3CC34C[C@H]41)[C@@H]1CC13C[C@@H]32"]
["58538247","CC1CCC(C)C(O)(C2CC2)C1"]
["96982217","CC(C)(C)[Si](C)(C)C12CC1C2"]
["177694328","CCC1(C(C)C)CC2CC1CN2C"]
["149720145","CC1C2C3CC4CC2(C3)C(C)C41C"]
["100681551","CC1(O)CC(OC(=O)C(C)(C)C)C1"]
["180026130","CC1CCC(C)C12CC1C[C@@]12C"]
["63672408","CC1(C)CC([O-])CC(C)(C)N1[O].[Na+]"]
["34135413","C[C@@H]1C[C@@]2(C)C[C@@](C)(O)C[C@@](C)(C1)C2"]
["MCULE-2848852089","CCN1CC2CC(O)CC(CBr)(C1)C2(F)F"]
["150755702","CC1CC(F)(F)C1.Cl.N"]
["189918627","CCOC1CCC2(CC1)CN(C)C2"]
["194762519","O[Se]1C(Br)=CC(Br)=C1[Se]1(O)C=C(Br)C=C1Br"]
["69802029","CC1=CC(Br)=C2C(C)CC3CC(=O)OC23C1=O"]
["123751","COC1=CC(=O)C(C)=C(C[C@H](C)O)C1=O"]
["170900397","CC1(CO)C=CN=CC(Br)=C1"]
["94814731","Cc1ccc(C)n1C1(CO)CCC(C)CC1"]
["160902770","CC1C(=O)CCC(C(=O)N=c2[nH][nH]cc2Br)C1(C)C"]
["163304789","N#CC1(c2ccc(O)cc2Br)CCCC1"]
["142558205","Cc1cc(SCC(O)=NC2(C)CCOCC2)c(C)cc1Br"]
["175320884","OC1CN2C=C(Br)CN2C1"]
["179262556","CC1C=CC(Br)=CC1C(=O)O"]
["90235664","Cc1c(F)cc(Br)c(C)c1CN(C)O"]
["56855418","CC(C)C(O)c1cc(Br)c(Br)o1"]
["177507039","CC(C)(C)C12P3S[C@@]4(C(C)(C)C)P(SP14=S)[C@@]32C(C)(C)C"]
["44365811","Cc1c(C(C)(C)C)ssc1=S"]
["195850560","C/C=C\\C(C)(C)NCNC"]
["96674870","CC(C)(C)C12CSCC1(C(C)(C)C)OS(=S)O2"]
["51025414","CC(C)(C)C1=P[P@]2[C@]3(C(C)(C)C)P4C(C(C)(C)C)([P@@]13)[C@]42C(C)(C)C"]
["62154893","CC(C)(C)C12P3[C@@]4(C(C)(C)C)[P@]1C([Si](C)(C)C)=C(CCCCCCCC1=C([Si](C)(C)C)[P@@]5C6(C(C)(C)C)P7[C@@](C(C)(C)C)([P@]16)[C@]75C(C)(C)C)[P@]2[C@@]34C(C)(C)C"]
["66846688","CC(C)(C)C1=P[P@@]2[C@]3(C(C)(C)C)P4C(C(C)(C)C)([P@]13)[C@]42C(C)(C)C"]
["64000456","CC(C)(C)C12P3SP(Br)[C@@]4(C(C)(C)C)P1[C@]2(C(C)(C)C)P(Br)[C@]34C(C)(C)C"]
["180443240","CC(C)(C)C[n+]1cnsc1"]
["66511711","Cc1c(C(C)(C)CC(C)(C)C)ssc1=S"]
["76254729","CC(C)(C)C1=PP2C3(C(C)(C)C)P1C1(C(C)(C)C)P3C21C(C)(C)C"]
["168781143","CC(C)(C)C12SP3C45CCCCCC14C1=C(CCCCC1)P2[C@@]35C(C)(C)C"]
["74234414","[O-][NH+]1[C-]=CCC2C[C+]=CC=C2C1"]
["MCULE-1408760687","Cc1c(C2CC2)nn(-c2ccc(S(=O)(=O)C(C)C)cc2)c1Cl"]
["MCULE-4531052361","Cc1c(C2CCC2)nn(-c2cncc(C(C)C)c2)c1Cl"]
["MCULE-4217741155","CC(C)c1ccc(-c2c(C3CC3)nn(C3CC3)c2I)cc1"]
["MCULE-1291175674","COc1ccc(-n2nc(C3CCC3)c(C(C)C)c2Cl)cn1"]
["173586150","[CH-]=C1C=CC=[C+]C1.[Tl].[Tl]"]
["MCULE-7530018502","CC(C)c1c(C2CCC2)nn(-c2nc(C(F)(F)F)ccc2F)c1Cl"]
["178718960","O=[N+]([O-])[C@H]1CC=CC=C1Cl"]
["MCULE-4649941825","Cc1cc(-n2nc(C3CCC3)c(C)c2Cl)cc(C)c1O"]
["MCULE-6573410408","Clc1nc(Cl)n2nc(C3CCCC3)c(-c3ccccc3Br)c2n1"]
["MCULE-5473884212","Cc1cc(-n2nc(C3CC3)c(C)c2Cl)cc(Cl)n1"]
["179332843","CC1CC=Cc2c1nn(CO)c2Cl"]
["178771457","[CH-]1[I]CI2(=I1)C[I]2"]
["178449076","CC1C[I][CH-][I]1"]
["162559661","C=C(Cl)CN1C[C@H](O)C[C@H](O)C1.Cl"]
["180375385","[NH-]C1CI12=IC2"]
["91905391","CCN1CC(CN)CC1C"]
["78081915","Cl.[CH]1[CH-]N2CCN1CC2.[Na+]"]
["184505881","CN1[CH-]I=I1(O)C(=O)I"]
["178819218","[CH-]1[I]CCC[I]1"]
["173868502","Br[C-]1[CH-]CC[Cl+]C1"]
["162565062","CC1CC(CN)CN1CC1(F)CC1.Cl"]
["175741822","[CH-]1[CH-][I]C[I]1.[Ir+3]"]
["185427466","[CH-]1[CH-][I]C[I]1"]
["193873904","CC(C)CN(CC(C)C)C1=CC(=O)C2=C(C(=O)c3c(O)oc4cc([NH+](CC(C)C)CC(C)C)cc(O)c34)C(=O)OC2=C1.CCN(CC)C1=CC(=O)C2=C(C(O)=C3C(=O)Oc4cc(N(CC)CC)cc(O)c43)C(=O)OC2=C1"]
["170277231","CCOC(=O)CC(=O)CN(CC(C)C)c1cccc(SC)c1"]
["65880619","CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(O)=N[C@H](C)c2ccccc2)c1"]
["68682512","CN(C)c1ccc2oc(C(=O)N[C@@H](C=C3CCN(c4ccccc4CN4CCCC4=O)CC3)Cc3ccc(Cl)cc3)cc(=O)c2c1"]
["MCULE-1590749730","CCN(CC)C(=O)COc1nonc1CC(O)=NCC(O)c1ccc(Cl)cc1"]
["75252595","CC(C)CCn1c(=O)c(C2=NS(O)(O)c3cc(N(CCO)S(N)(=O)=O)ccc3N2)c(O)c2cccnc21"]
["99951621","CCCCc1oc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2c1C(=O)c1ccc(F)cc1"]
["22212985","CCN(CC)c1ccc(-c2nnc(SCC(O)=[NH+]c3cc(C(C)C)no3)n2C)cc1"]
["69654245","CC=CC=C1C=C(C(C)(C)C)Oc2cc(N(CC)CC)ccc21"]
["29083251","CCN(CC)c1ccc2c(c1)OC1=CC(N(C)CC)C=CC1=C2c1ccccc1C(=O)O"]
["195823466","CCCCCC(C)C(C)c1cc(O)c2c(C3CCCCC3)cc(=O)oc2c1"]
["67062446","CCN(CC)c1ccc2c(c1)OC(=O)/C(=C\\O)C2=O"]
["97059245","[N-]=[O+]P(=O)(Cc1ccc(C2=C3C=CC(=[NH+]3)[C+](c3ccc(CP(=O)([O+]=[N-])[O+]=[N-])cc3)C3=[N+]=C(C=C3)[C+](c3ccc(CP(=O)([O+]=[N-])[O+]=[N-])cc3)C3=[N+]=C(C=C3)[C+](c3ccc(CP(=[OH+])([O+]=[N-])[O+]=[N-])cc3)C3=[N+]=C2C=C3)cc1)[O+]=[N-]"]
["164146548","CN=C1/C(=C\\C(C)(C)C)C(Cc2ccc(-c3ccc(CN)cc3)cc2)=CC(=O)N1O"]
["78422662","COCc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(C4=C(c5ccccc5)C(c5ccccc5)=C(c5ccc(C6=C(c7ccccc7)C(c7ccccc7)=C(c7ccc(COC)cc7)C6=O)cc5)C4=O)cc3)C2=O)cc1"]
["195840956","CCc1ccc(C2=C(C#N)C(=O)Cc3ccc(C4CC4)cc32)cc1"]
["186848517","CCOP(=O)(Cc1ccc(C2=C3C=CC4=[N+]3[C@@]35n6c(ccc6C(c6c(C)cc(C)cc6C)=c6ccc(n63)=C4c3c(C)cc(C)cc3C)C(c3c(C)cc(C)cc3C)=C3C=CC2=[N+]35)cc1)OCC"]
["175215317","CN1C(=O)OC2=CC=C(c3ccc(CC(N)C#N)cc3)CC21"]
["68064948","Cc1cc(C)c(C2=C3C=CC4=[N+]3C35n6c2ccc6C(c2c(C)cc(C)cc2C)=c2ccc(n23)=C(c2c(C)cc(C)cc2C)C2=[N+]5C(=C4c3ccc(CP(=O)(O)O)cc3)C=C2)c(C)c1"]
["76076697","CCOP(=O)(Cc1ccc(-c2ccc(O)cc2)cc1)OCC"]
["186848518","CCOP(=O)(Cc1ccc(C2=C3C=CC4=[N+]3[C@@]35n6c2ccc6C(c2ccc(C)cc2)=c2ccc(n23)=C(c2ccc(C)cc2)C2=[N+]5C(=C4c3ccc(C)cc3)C=C2)cc1)OCC"]
["153671084","O=P(O)(O)Cc1ccc(-c2cccc([C@H](O)c3ccc(Cl)c(Cl)c3)c2)cc1"]
["100930902","O=C1C(c2ccc(O)cc2)=C2C(=C(c3ccc(O)cc3)C(=O)N2CCc2ccc(O)cc2)c2c1[nH]c1c(OS(=O)(=O)CC(Cl)(Cl)Cl)cccc21"]
["69714015","CC(C)(C)OP(=O)(Cc1ccc(CC(F)C(=O)N2C(=O)OCC2c2ccccc2)cc1)OC(C)(C)C"]
["178253580","C/C=C\\CC(C/C=C\\C)(C[C@H](C)[C@H](C)C(C)C)C[C@@]1(C/C=C\\C)CC=CCC1(C)C/C=C\\C"]
["175071771","C/C=C\\C=C/CC1=C2CC(=CC=C1C)C=C(O)N2[C@@H](C)CC"]
["103947660","C/C=C\\CC1(CCC(C)C)C(O)=NC(=O)N=C1O"]
["78153055","C=CCC(C#N)(/C=C/C)C(C)C"]
["75422158","C/C=C\\CC(CC)C1=CC=C(F)CC1"]
["184605013","C=C(/C=C\\C)C(CC=N)C(N)C(C)C/C=C\\C"]
["88648054","CC(CNCc1ncccn1)C(C)(C)C"]
["145998952","CC(C)[C@H](N=C(O)CN1C(=O)c2ccccc2N2C(=O)CCC12C)C(=O)O"]
["188318168","CC(C)C(C)COCCC(F)(F)C(C)C"]
["55517523","C/C=C/[C@@H](C)[C@@H](C)C(C)C"]
["176225393","CC=CCC1CC=C(C)C2=C1c1nccc3c(F)c(C)cc(c13)C2(C)C.CCC(C)C"]
["189221854","C/C=C(/C=C\\N(C)C1(C)C=CC1(C)CC)CC(C)C(C)C"]
["53639399","C[SiH]=[Si]1CC(C)[Si]1C"]
["173332246","CC.CC1OC=CO1"]
["64059773","CC1CN1P"]
["184664986","CC1CC(C)OB(OB2OC(C)CC(C)O2)O1"]
["150761702","C[C@H]1CSC(I)=N1"]
["59724964","CC1CC[Si](Cl)CC1"]
["108610074","C[C@@H]1Nc2coc(Br)c2N=C1O"]
["156957565","C[C@@H]1[C@H](Cl)CC[C@@H]1C(C)(C)C"]
["149922119","CC1C2(C)CCC12C"]
["25235227","CC1C(C)N2CCN1CC2"]
["184895773","CC.CC1CC2CC[N+]1(O)CC2"]
["75957088","CC1N(C)CC12CC2"]
["171040908","[SeH][Se][As]([SeH])[Se][As]([SeH])[Se][As]([SeH])[Se][As]([SeH])[Se][SeH]"]
["79879067","CN(C)[Se][SeH]"]
["159428008","C=CC(N)[Se][SeH]"]
["79113114","C[As](C)[Se][As](C)C"]
["195301521","C1CN2CN1CN1CN1[I-]2"]
["45082346","C1CN2CCN1CC2.N"]
["162617453","C1CC1N1CCN2CCC1C2"]
["44648934","NCCN1CN2CCN(C1)CN(CC[NH3+])C2.O.[Cu+]"]
["103429021","O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N2C(=O)CCC2=O)cc1"]
["32603216","C1CN2CCN1CC2.OO"]
["57888091","C1CN2CCN1CC2.CCC(C)=O"]
["25006877","CCN1CCN([C]=O)C1"]
["47489415","OC1=NC2CCN(C1)C2"]
["186445634","OC1=N[C@H]2CCN(C1)C2"]
["91151027","O=[N+]([O-])N1CCN2CN(C1)CN([N+](=O)[O-])C2"]
["67453762","C1CN2CCN1CC2.O"]
["147605689","Nn1cnc2c1=CC1=CC=N[NH+]([O-])C13C=NC=NC=23"]
["172678616","CC(O)c1cn(-c2ccc3c(c2)N=CC3(C)C)cn1"]
["75199825","N=Nc1ncnc2c1ccn2N"]
["76113753","CCC1(c2ncn3c2Cn2ncnc2-c2cc(Br)ccc2-3)SCCCS1"]
["15918580","OC1=NN=CC=C2C1=CNc1c(-c3ccccc3)cnn12"]
["158023548","CC(C)[C@H](C)c1ncn(N)c1N"]
["56978468","NCc1cnn(-c2ncccn2)c1-c1ccccc1"]
["177560849","Nn1cnc2c1NC=NC2"]
["78943542","CC(C)(C)c1nncn1N"]
["147605690","Nn1cnc2c1=CC1=CC=NN([O-])C13C=NC=NC=23"]
["115278396","CC(C)n1cc(-c2ncn(N)c2N)cn1"]
["83285080","NN1C=NC2C(=O)N=CN=C21"]
["168477698","[Si]1=[Si+][Si]2=[Si]=[Si]1[Si]#[Si]2"]
["199797524","[CH-]=C[CH+]C=CO.[In]"]
["91344566","[Si-]#[Si][Si+]=[Si]1[Si]#[Si]1"]
["91536528","CO[Si]1=[Si]=[Si](OC)[Si]#[Si]1"]
["91344526","[Si-]#[Si][Si]1=[Si]=[Si+]1"]
["63453723","O=c1[si]2[si]1=[Si]=2"]
["168485129","[Si]1=[Si]2[Si]3=[Si+][Si-]=123"]
["91203284","O=c1[n+]([O-])[n+]1[O-]"]
["168506626","C[Si](C)(C)N([Si]1=[Si]=[Si](N([Si](C)(C)C)[Si](C)(C)C)[Si]#[Si]1)[Si](C)(C)C"]
["100317898","C1=C[Si]2=[Si]=[Si]1C=C2"]
["59741637","[Si-]=[Si]1[Si]=[Si]=[Si+]1"]
["171746020","C(=CC1CCC([Si-]C2CCCCN2)CC1)C1CCC([Si+]C2CCCCN2)CC1"]
["107666051","Oc1c(Cl)cccc1[C@H]1CCCCN1"]
["90126448","c1ccc(C2CCCCN2)c(SC2CC2)c1"]
["151004540","CC(C)(C)Sc1ccc([C@H]2CCCCN2)cn1"]
["112268464","CC(=CCCC(F)(F)F)CC1CCCCN1"]
["120025590","CCN(CC1CCCCN1)S(=O)(=O)NCC(C)C"]
["113519799","Cc1ncccc1C(=O)N(CC1CCCCN1)C(C)C"]
["159199550","OC(=NC1CSC1)[C@H]1CCCCN1"]
["194326903","CO.O=[N+]([O-])c1ccc(C(O)C2CCCCN2)cc1"]
["46217911","CC1CCCCN1.N=C(O)CBr"]
["145025963","Cc1cc(Br)c(C)c(C2CCCCN2)c1F"]
["107795163","Cc1cnc(-c2nnc([C@@H]3CCCCN3)o2)cn1"]
["187137243","C=S1OC[C@H]2OC=C[C@@H]([OH2+])[C@@H]2O1"]
["74336956","O=C1CCC2CCC3OC=CC3C2O1"]
["172642202","COc1ccc(C2OCC3OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]3O2)cc1"]
["98212116","CC1=COC2C=CCC=C2C1=O"]
["96687480","CC1(C)OC[C@H]2OC=C[C@H](O)[C@@H]2O1"]
["96921613","C=C1OCC2C3C=CC(C2CO1)C1COC(=C)OCC31"]
["177191339","O[C@@H]1[C@@H]2OC[C@H]1O[CH][C@@H]2O"]
["104891591","CCO[C@H]1C[C@@H](C2OCCO2)C=CO1"]
["53010183","[3H]OCC1OC=CC(O)C1O"]
["63706121","O[C@H]1C=CO[C@H]2COC(c3ccccc3)O[C@H]21"]
["162910152","O[C@H]1[C@@H]2C=CO[C@@H]1CO2"]
["52722862","C1=CC2C(CC1)ON1CCOCC21"]
["181528826","C1=CC(N(C2C=CC=C2)N(C2C=CCC=C2)C2(N(C3CC=CCC3)C3CC=CCC3)C=CCC=C2)C=C1"]
["156440128","N[C@@H](CO)C[C@H]1CC=CCC1"]
["146522714","CN=C(NCC1CC=CCC1)NCC1(C)CCCS1.I"]
["158283082","OC(=N[C@@H]1CCOC2(CCOCC2)C1)[C@H]1CC=CCC1"]
["138012257","CC1(C)CC(N=C(O)C2CC=CCC2)C(C)(C)O1"]
["108754458","Cn1ccnc1C[C@H]1CCCN(C[C@H]2CC=CCC2)C1"]
["84652596","CCCC1CCC(CN)(C(O)C2CC=CCC2)CC1"]
["24376340","CCN1CCN(CC2CC=CCC2)CC1"]
["131005543","CCCc1ncc(C(O)=NCC2CC=CCC2)s1"]
["133702953","OC(=NC1CC=CCC1)C1(c2ccc(F)cc2)CC1"]
["67957818","CCC1(CC)CN(C2CC=CCC2)C(C(C)C)CN1"]
["68981121","Cc1cc(C(O)CCN=C(O)C2CC=CCC2)c(C)o1"]
["57610445","C1#Cc2cccc(c2)C#Cc2ccc3c(c2)C2c4cc5ccc4C3c3ccc(cc32)C#Cc2cccc(c2)C#CC#Cc2cccc(c2)C#Cc2ccc3c(c2)C2c4cc(ccc4C3c3ccc(cc32)C#Cc2cccc(c2)C#CC#Cc2cccc(c2)C#C5)C#Cc2cccc(c2)C#C1"]
["135220902","COc1cc(OC)c(NC(C)C(O)=Nc2c(F)cccc2F)cc1Cl"]
["54926201","NS(=O)(=O)c1cccc(C(O)=NCCC2CC2)c1"]
["154172492","OC[C@@H]1Oc2cc(-c3ccc4c(c3)O[C@@H](CO)[C@@H]4CO)ccc2[C@H]1CO"]
["180015462","Cc1ccc2c(c1)C(O)c1ccccc1C2O"]
["102965999","[c]1ccccc1C12c3ccccc3C(c3ccccc31)c1ccccc12"]
["75814762","COc1cccc(OC)c1-c1cn[c]o1"]
["112228605","Cc1ccccc1C1CC(NCc2cccc(CO)c2)C1"]
["170867148","Nc1cccc2ncc#cc12"]
["114695798","Cc1cccc(NC2CCSC2)c1C#N"]
["54485419","NS(=O)(=O)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)C2c2cccc([N+](=O)[O-])c2)cc1"]
["198355319","CC(C)(C)OC(=O)N1CCC(c2cccc3ncc(/C(C=NC4CCNCC4)=C/N)nc23)CC1"]
["64692729","CC(C)=C(C)[Si]1=CC=C[CH]1"]
["91264241","CC(=O)O.OC1=CC=CC1"]
["174075072","C=CC=NC(=C)C.CC"]
["79334953","CC(=O)CCCCCCCCCCCCCC/C(N)=C/c1ccccc1"]
["167548654","[2H]C([2H])([2H])N1C=CC=CC1C(=N)O"]
["145140214","CC(C)CNc1cc(NC(C)CC(=O)O)ncn1"]
["98034229","CC(=O)O.Oc1cncnc1"]
["79911274","CC(C)=C(C)Cc1ccccc1"]
["150053682","CC(C)=N/C(C)=C/C(=O)O"]
["164426423","C=C(C)/N=C(/C)C(N=C(C)C)=C(C)C"]
["162876736","CC(C)=C(F)C(O)=NCCN.Cl"]
["191051796","CC(=O)c1ccccc1.[OH-]"]
["73635330","Clc1cc2c(Cl)cc3c(Cl)cc(Cl)c4c(Cl)cc(c1Cl)c2c34"]
["7769279","COC(=O)c1c(Cl)c(Cl)cc(Cl)c1OCc1nnc(SC)s1"]
["73860522","CCCc1cc(Cl)nc(S(C)(=O)=O)n1"]
["174463874","CCCC(P)C(=O)c1c(C)cccc1Cl.[H-].[Li+]"]
["49815994","CC(C)(O)c1ncc(O)cc1Cl"]
["43809955","CCC(CC#N)N=C(O)c1ccc(C)c(Cl)c1"]
["183578751","CCCOC(=O)N(CC)c1c(Cl)cccc1C(=O)O"]
["28173322","Cc1cc(N(C)C)ccc1-c1cccc(N(C)c2ccc(N(C)C)cc2C)c1Cl"]
["56826925","C[n+]1cccc2c(C(F)(F)F)c(Cl)ccc21.O=S(=O)([O-])F"]
["88153213","CCc1ccc(CNC)c(Cl)c1"]
["90051389","CCC1CN(C)c2c(Cl)cccc2N1"]
["57916051","O=[N+]([O-])c1cc(Cl)c2ncccc2c1Cl"]
["180367683","N=C(O)NC1=CC2NNC(=NC(=O)O)C2C=N1"]
["197859273","N=C(O)NC1CCC(C(=O)N=c2ccn(Cc3ccncc3)[nH]2)CC1"]
["65445952","Cc1cc(NCC(C)C)cc(C(=O)O)n1"]
["115957909","O=C(Nc1ccccc1)c1nc(C(O)=Nc2ccc(Cl)cc2)c2ccccn12"]
["180449935","NC1NNC(C2CCSC2N=C(O)C2N=C3CCCCC3S2)O1"]
["172379986","N=C(O)Nc1sc(-c2ccncc2)cc1C(O)=NC1=CNC=CC=C1"]
["145715791","N=C(S)N/N=C/c1ncccn1"]
["4423285","Cc1nnc2ccc(C(=O)N=c3nc(C(C)(C)C)[nH]s3)cn12"]
["156555590","Cc1cc(NC(O)=NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n(C)n1"]
["155451978","N=C(O)Nc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1"]
["162465182","CONC(=O)C(=O)N=c1[nH]ncs1"]
["170430503","N=c1cc[nH]cc1Cl.O=C(O)N=c1cc[nH]cc1Cl"]
["82553193","CC1=CC(C)=N[N+]1=[N+]1C=NN(n2nc(C)cc2C)C=N1"]
["102558361","CC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1"]
["9561729","Cc1cc(C)n(C[C@@H](C)CN=C(O)c2cnn(Cc3ccccc3Cl)c2)n1"]
["140214468","Cc1ccc2[nH]c(C(=O)NCCCn3nc(C)cc3C)c(C)c2c1"]
["158435921","Cc1cc(C)n(CC(=O)N2CC[C@@H](S(C)(=O)=O)C2)n1"]
["18066867","CCN(CC#N)C(=O)CCn1nc(C)cc1C"]
["65764890","Cc1cc(C)n(CCC(O)=NCC(C)(O)C(=O)O)n1"]
["108719333","Cc1cn2c(n1)CC[C@@H](N=C(O)CCn1nc(C)cc1C)C2"]
["95445490","Cc1nn(C)c(CC(O)c2cc3cc(F)ccc3s2)c1Br"]
["MCULE-1822853288","C#Cc1cc(C)nn1Cc1cc(C)c(OC)c(C)c1"]
["152944639","COc1ccc(Cn2nc(C)cc2NC(=O)N2CC[C@@H](CN)C2)cc1OC"]
["177672804","Cc1cc(C)n(Cc2cccc(C(O)=NS(C)(=O)=O)c2)n1"]
["79445075","CC1=CC=CC2C([SiH3])C3(C)C4(C)C=CC=CC4(C)C4(C)C=CC=CC4(C)C3(C)C12C"]
["181198766","CC1=CC=CC(Br)C1(F)N=[N+]=[N-]"]
["97895920","CC1=CC(C)(C)[C@@]23CCC[C@@]12CC[C@@H]3C"]
["160885779","CC[C@@H]1OCC[C@H]1N=C(O)N1Cc2ccccc2OC(C)(C)C1"]
["66397468","CC(C)(C)N1C(NC(=O)O)=CC=CC1Br"]
["100171185","Cc1ccc(C2CC3C=CC=CC3(C)C2C)c(C)c1C"]
["79326243","CC1=C(C2=CC=[C+]C2)C([C-](c2ccccc2)c2ccccc2)=CC2=CC3(C)C4(C)C=CC=CC4(C)C4(C)C=CC=CC4(C)C3(C)C21C"]
["162006730","CC1(C)CCC2C=CC(Cl)=CC21"]
["32470057","FC(F)(F)[C@@]12C=CC=C[C@@H]1[C@@H]1OC=C[C@@H]12"]
["188134838","CC1(C)C=CC2=C(C=C1)C(C)(N)C1C=CC=CC21"]
["162260998","CC1=CC2C3C(C)=C(C)C(C3O)C12C"]
["185818276","CC1=CC=CC(F)C1N"]
["176219914","CC(C)(C)C12C(CNC3CC(Cl)NN31)NCCC21CC1"]
["172299941","C1CNC(N2CNCNC2ON2CNCNC2)CN1"]
["94118820","C=C(Br)CN1CC(C)(C2CC2)NCC1C"]
["120417361","CC1c2ccsc2CCN1C1CNCCC1(C)O"]
["51559143","CC1CNC(C(C)(C)C)CN1C1C2(C)CCC(C2)C1(C)C"]
["198827393","COC(=O)[C@]12CCN[C@H]1CNC2"]
["185065022","CC1C[C@H]2CNC[C@@]2(N=C(O)OC(C)(C)C)O1"]
["158407402","CC1(C)[C@H](N)C[C@@]1(O)[C@H]1CCCN1"]
["163339879","CC(C)(C)CN1CCCC2(CCCN2)C1"]
["94718625","C=C(Cl)CN1CCCNC(C)(c2ccccc2)C1"]
["112603502","CC1CNC(C)(C2CC2)CN1CC(C)(C)C(C)C"]
["150696225","C[C@@]1([C@H]2C[C@H](F)CN2)CC(F)=CC=C1Cl"]
["64003858","N=C(CCCC(CCC(=N)NO)C(=N)NO)NO"]
["56786437","CCCC(O)=NCCC(=N)NO"]
["44367431","CCCc1ccc(S(=O)(=O)N(CC(=N)NO)C(C)C)cc1"]
["166214415","CCOC(=O)C(C(=N)NO)c1c(N)noc1N"]
["174157900","CC(C)C[C@@H](CC(=N)NO)NC(=O)O"]
["113243514","CC(C)C(CCO)NCCCC(=N)NO"]
["43631981","CCC(Nc1ccccc1C)C(=N)NO"]
["114293141","CCC(C(=N)NO)C(=O)N(CC)CC1CCC1"]
["42626749","Cc1ccc(S(=O)(=O)N(C)CC(C)C(=N)NO)s1"]
["59676645","CC(C)(CNCCCCC(=N)NO)NS(C)(=O)=O"]
["113180231","CCC(CC)C(O)CNC(CC(=N)NO)c1ccccc1"]
["99572667","N=C(O)N[Te]C[Te]"]
["101155396","[SiH2]1[SiH2][SiH]2B1[SiH]1[SiH2][SiH2][SiH]21"]
["175042215","[SiH2][SiH]1[SiH2][SiH2][SiH2][SiH2]1"]
["101155398","[SiH2]1[SiH2][SiH]2[SiH2][SiH2]N12"]
["158438112","ClC[SiH]1[SiH2][SiH2][SiH](CCl)[SiH2][SiH2]1"]
["78472969","O[SiH]1[SiH2][SiH2][SiH2][SiH2][SiH2]1"]
["79602298","C[SiH]1[SiH2][SiH2][SiH2]1"]
["148719109","Cl[SiH]1[SiH2][SiH2]1"]
["185251291","Cl[SiH]1[SiH2][SiH2][SiH2]1"]
["79602153","C[SiH]1[SiH2][SiH2]1"]
["185259916","FC(F)(F)[SiH]1[SiH2][SiH2][SiH2]1"]
["79133303","[SiH3][SiH]1[SiH2][SiH2]1"]
["97090512","[SiH2]1[SiH2][SiH]2[SiH]1[SiH]1[SiH2][SiH2][SiH]21"]
["67144791","C1=C2[C@@H]3C4[C@@H]5C1P2453"]
["195573578","NS[C@@H]1C=C(S)NN1"]
["172716013","CC1=CC2OC2(c2ccc(C)cc2)C=C1"]
["75623801","C#CC1=CC(F)C(=O)C1"]
["188063058","CC1=CC(SI)=CC(C)C1C"]
["62132560","CC1C=NC(C(F)(F)F)=CC1C"]
["50584059","CC1=CC(C(C)O)C=C1"]
["45094014","FC1=CC1F"]
["161728969","OC12C=CC(Br)=CC1O2"]
["184904854","CC1=CC(F)C(F)=C(C)C=C1"]
["195616841","C1=C2CC3CC1N23"]
["184471252","IC1=CC(C2CCCC2)C1"]
["185633886","[B]1CON=N1"]
["149684363","C=C1C=C(C)C=NCN=NO1"]
["26206778","[SiH3]C1=NOCC1"]
["161741840","N=C1CON=N1"]
["149717694","CC1(C)C=NOCC1"]
["171212304","C[Si](C)(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F"]
["167167478","B1=B/N=N\\N=N/B=B1"]
["79760659","N1=NOSO1"]
["78963470","BN1B=NCC1"]
["161926489","ClC1C=NOC1"]
["84017911","C[Si](C)(C)CN1C2C3CCC(C3)C21"]
["79557714","C1CO[N]O1"]
["173725740","[B+]=c1ccc2c(c1=[B+])=C([O-])C(=C)C=2[O-]"]
["174131222","C=N.CC.[B+]=c1ccc(O)cc1=C(C)[NH-]"]
["105175954","COCCCN(CCOC)[C@H](CN)c1ccccn1"]
["174009110","[B+]=c1c(=[B+])c(=[B+])c(=c2[n-][c-](-n3c4ccccc4c4ccccc43)[n-]c3[c-]4c(ccc2=3)=C=CC[N-]4)c(=[B+])c1=[B+]"]
["175400317","CC.[B+]=c1ccc(C)cc1=C([O-])C=C.[HH]"]
["97351983","C=C1CC12[CH]C=CC=C2"]
["53708534","COCCCN(CCOC)C(CN)c1ccc(Br)o1"]
["175375230","[B+]=c1ccc(=[B+])[c-]([CH2-])/c1=N\\SC(C)CC"]
["66117070","C=c1ccnc2c1=C(C)N=[C-]N2C.[Y]"]
["176270854","CC.[B+]=c1cnccc1=C([O-])OC"]
["175145452","CC.[B+]=c1ccc2c(c1)CN(CCC)C=2[O-]"]
["34041445","Cl.[Hg+].[O-]C1=C=C[C]2OCOC2=C1"]
["59344281","CCOO[B-]OOC(C)(OOCC)OOCC.[Na+]"]
["91651773","CC(C)(C)C(Br)CCOS(=O)C(C)(C)C"]
["100202934","CCOOP(=O)(OOCC)C(F)(F)C(=S)SC"]
["179792544","CCOC(=O)c1[nH]c(CN)cc1C(C)(F)F"]
["99563479","CCOO[B]OOC(C)OOCC"]
["51828987","CCOOCc1c(C)nc(C)n(CC)c1=O"]
["92176498","CCOC(C)(C)CNCCC(=O)OC"]
["173302644","CCO[SiH](OCC)OCC.[CH-]=C.[Na+]"]
["26570314","CCC(O)C(C)(C)OO"]
["103061332","CCOC(=O)C(CC)(C(C)=O)c1ccc([N+](=O)[O-])c(N)c1C#N"]
["94145536","CCOC(C)(C)CNCC(C)(O)C(=O)OC"]
["91526455","CCOC(=O)C(C)(C)C(C)=NO"]
["180274555","Cc1c2c(c(C)c3c1=NSI=3)I=S=N2"]
["178426012","ClC1=NSI=C1Cl"]
["180306403","Cc1cc(F)c(C#N)c(C2=CI=CC=N2)c1C"]
["158575009","Cc1nsc(N2CCN(CC3(C#N)CC3)CC2)n1"]
["179107476","C/C=C\\CC1=NSI=C1C"]
["105136220","Cc1c(-c2csc(=N)[nH]2)cc2c(c1C)N=C(O)[C@@H]2C"]
["83401980","C=c1c(C)c(C)c2c(c1C)N=C(S)N=2"]
["22209460","Cc1cccc(CN[C@@H](C)c2nccs2)c1C"]
["84188455","CC1=C2C(CCS2(=O)=O)C(C(=N)O)(C(=O)O)CC1"]
["173747882","CCc1c2c(c(C)c3c1=NN=N3)=N[S+]=N2"]
["174901926","C=O.CC1=NSCC1=O"]
["172350738","Cc1c(C#N)cnc2cnn(C)c12"]
["167430108","C[C@@]12[C@@H]3[C@H]4[C@H]5[C@@H]3[C@@H]1[C@H]5P(C)(C)(C)[C@H]42"]
["179319837","C[C@@H]1[C@@H]2[C@@H](C)C2(C)[C@H](C)C1(C)C"]
["149920923","CC1=NC(O)C2C1C2(C)C"]
["195733412","CC1C(C)C(N=C=O)C(C)(C)C(C)C1N=C=O"]
["180625235","CC1C2CC3CCC3C3C4CC5CC2C1C3C54C"]
["154776461","CC[C@@H]1[C@H](CN)C1(F)F.Cl"]
["187381693","CC(C)N1C(=S)OC(C)(C)[C@@H]1C"]
["180669504","CC1C(C)C2C3C4C5C1C4C3C(C)(C5C)C(C)C(C)C2(C)C"]
["25879463","CC1C(C)C2C3C(C1C2(C)C)C1C2C(C4C=CC2C4(C)C)C3C1(C)C"]
["102867752","CC12C(=O)C(=O)C3(C)[C@@H]4C(C5[C@H]1[C@@H]1CCC[C@@H]1[C@H]53)[C@@H]2[C@@H]1CCC[C@@H]14"]
["170592196","CC1(C)[C@@H]2CC[C@@]1(C)c1nc3c(nc12)[C@]1(C)CC[C@H]3C1(C)C"]
["180474370","CC12C3CCC3C3C4CCC1C1C5C6C7C8C9C%10C%11C3C4C%11C%10C9C8C7C6C5C12"]
["97399112","[CH+]=[B-]1NB(F)NB(F)N1"]
["161675663","CCCCB1NB(F)NB(CCCC)N1"]
["161901127","FB1OCCNCCO1"]
["50181073","FB1NB(F)NB(F)N1"]
["68049097","Fc1c(F)c(F)c(B2NB(c3c(F)c(F)c(F)c(F)c3F)NB(c3c(F)c(F)c(F)c(F)c3F)N2)c(F)c1F"]
["91044251","N#CC1NN1"]
["96747690","[CH+]=[B-]1N(F)BN(F)BN1F"]
["116282107","N#CC1NNNN1"]
["66693361","FB1NB(F)B(F)NB1F"]
["97200344","[CH+]=[B-]1NBNBN1"]
["189886899","OB1N[B]NB(F)N1"]
["170679493","FB1[Se]B(F)[Se]B(F)[Se]1"]
["44358228","ClSS[Se]Cl"]
["185391193","ClSSC(Cl)(Cl)C(Cl)Cl"]
["73881267","[CH2]Oc1ccc(SCl)c(SCl)c1"]
["185392868","ClSC(Br)C(Br)Br"]
["26636787","CC(CSCl)SCl"]
["57264935","COP(OC)SCl"]
["62074757","FC(F)(F)SC(SCl)(SC(F)(F)F)SC(F)(F)F"]
["78218515","Cl[Se]Cl.[Cr].[Cu]"]
["183420863","C[SH+]SCl"]
["91470441","CN.C[Se]Cl"]
["159373040","ClSCl.[Ni]"]
["50316153","CSC(C)(C)CCl"]
["101055184","C1[As@@]2C[As@@]3O[As@]1C[As@@](O2)O3"]
["34065058","CS(=O)(=O)C1CO1"]
["171705787","CC(C)(C)CC/C=C/CC1OCCCO1"]
["33563667","C1[As]2C[As]3O[As]1C[As](O2)O3"]
["53911366","C[Si](C)(C)OC1CNCO1"]
["25164305","C1OC1=C1CO1"]
["54269759","C1O/C1=C1\\CO1"]
["102973972","C1[As]2C[As]3C[As]1C[As](C2)C3"]
["60726138","C1[As]2O[As]3O[As]1O[As](O2)O3"]
["170518398","C1[As]2C[As]3O[As]1C[As](O2)O3.C1[As]2C[As]3O[As]1C[As](O2)O3"]
["26577887","C1=C[C](C2OCCO2)C=CN=1"]
["98001637","[c-]1ccc2c(c1)OC=[O+]C2"]
["99328556","ClCC1=[C-]C(=C=C2C=C(CCl)C=C(CCl)[CH+]2)C=C(CCl)C1.[Zr+2]"]
["99597923","[B+]=C1[C-]=C(CCl)C[CH-]C1=[B+]"]
["174755827","COC1=C(C)C(=O)C=C(CCl)C1"]
["78214432","ClCC1=CC/C(=N\\c2cccnc2Cl)C=C1"]
["150804821","Cc1ccc(Cl)c(N=c2cc(Cl)nc(CC3CC3)[nH]2)c1"]
["87590604","N#CCC(=O)CCc1c(F)cccc1Cl"]
["76221831","CC([C]=O)N1CCN(C(=O)OCc2ccc(Cl)cc2)CC1"]
["47948273","O=C1C=C(CCl)CC1"]
["180629378","CCC1=CC2=CC(=C2)C1"]
["99328723","ClC1=Cc2ccccc2C(=C=C2[CH-]C(Cl)=CC3=C2C=C=CC3)[CH+]1.[Zr+2]"]
["48798335","O=S(=O)(c1cc(CCl)n(C2CC2)c1)N1CCCC1"]
["64598764","CCCC1CCN(S(=O)(=O)c2c[nH]c(CCl)c2)CC1"]
["51765022","CC(=N)/C(C)=C(/C)SC1=S=C(C)C(C)=C(C)[NH+]1C"]
["63289319","Cc1nc(SC(=N)O)cs1"]
["89114065","COCc1oc(-c2ccc(C)s2)cc1C(=N)S"]
["8955663","Cc1nnc([C@@H]2CCCN(C(O)=NC(C)(C)C)C2)s1"]
["65791224","CCOC1CCCN(C(=O)c2sc(=N)[nH]c2C)C1"]
["69918658","CC(=N)c1csc(C)n1"]
["150137070","CC=C(C)c1nc(Br)sc1C"]
["184253715","CI=C(C)C#SC1=C(N)C[C-](F)C(F)=C1C"]
["174383871","CC(=N)c1sccc1N.CP"]
["160568546","Cc1cn2cc(C(=O)N3CCCC(c4cc[nH]c(=N)n4)C3)sc2n1"]
["18548391","Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=N)O)s1"]
["139854996","CC(O)=NC1CCCN(C(=O)c2sc(C)nc2CC(C)C)C1"]
["192478619","O=P(=O)O.OCCCOCCCC1(Cl)C(Cl)=C(Cl)C(Cl)=CC1(Cl)CCCOCCC[OH2+]"]
["MCULE-8177902713","O=c1cc(CN2CCC3(CC2)OCCO3)n(CCOCCO)cc1OCCCO"]
["151352346","Cc1cc(NC(=O)CN2CCC[C@@H](CCCO)C2)ccc1Cl"]
["MCULE-5288861747","Cn1nnnc1SCc1cc(=O)c(OCCCO)cn1Cc1ccccc1Cl"]
["51308464","Cc1ccc(COCCCO)cc1"]
["100920998","O=C(Cl)OCCCO"]
["27061350","CC(C)OCCCCOCCCCO"]
["64285628","CN=C(O)C1=C[C@@H](c2cn(C(C)=O)c3ccccc23)C[C@@H](OCCCCO)O1"]
["MCULE-8036016153","CCCCOCCCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1"]
["77162208","CC(C)(C)OC(=O)CCC1(C(O)=NNC2CCC(O)CC2)N=C(c2ccc(OCCCO)cc2)OC1c1ccccc1"]
["29974056","CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CCCCC4=C32)cc1"]
["195831303","OCCCOCCNSCS"]
["91098568","S=C(S[As]1SCCS1)N1CC=CC1"]
["162975695","C#CC(C)N=C(O)N1CC=CCC1"]
["8796042","O=C(N1CC=CC1)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1"]
["74298329","NSN1CC=CC1"]
["59688209","CC(C)C(=O)N1CC=CC1"]
["162790394","Cc1cccc(C(=O)N2CC=CC2)c1Br"]
["196016919","Cl.N=C(NC(=N)N1CC=CC1)Nc1ccc(C(F)(F)F)cc1"]
["67340847","OC(=Nc1c(Cl)cccc1Cl)N1CC=CC1"]
["123532696","OC(=NC1=NCCS1)c1cc2ccccn2c1"]
["159102752","O=C(OCCl)N1CC=CC1"]
["108272376","O=C(CC1CCC2(CC1)CCN(CC1CC1)CC2)N1CC=CC1"]
["42280204","N[C@@H](Cc1ccccc1)C(=S)N1CCSC1"]
["78348190","CCBCCB(C)C"]
["161738307","CCC(=N)N(C(=N)CC)C(=N)CC"]
["180221866","CCCN(P)CC(C)C"]
["171840796","C=C=C.CCCS"]
["54866236","CCCCB(CC(C)C)CC(C)C"]
["173032168","CC.CCC.CCC(C)=N"]
["179799492","CCC[C-](O)[N+](CC)=IC"]
["173346076","CC[N+](CC)(CC)CC.O.[Al+3]"]
["192173260","CCN.N=C(S)S"]
["161426908","CCN(CC)CC.FB(F)F.FB(F)F"]
["173745681","CC=N/C=C(\\CC)B(C)O"]
["173822729","CCC(C)(C)[B]B(C)C"]
["168459104","[si]1[si]2[si]([si]#1)p1[si]#[si]p21"]
["197595273","O=C1CCC1CS(=O)(=O)F"]
["166825297","CC(C)N(C)CC(CN(C)C(C)C)OC(CN(C)C(C)C)CN(C)C(C)C"]
["91154402","[Si]1=[Si]2PP12"]
["168459100","[si]1p2[si]3[si](p2[si]#1)p1[si]#[si]p31"]
["165188668","CC(CN(C)C(C)C)CN(C(C)C)C(C)C"]
["57274441","CC(C)CNCC(C)CN(C)C(C)C"]
["49377179","[si]1[si]2[si]([si]#1)[si]1[si]#[si][si]21"]
["91209879","[si]1[si]2[si]#[si][si]3[si]#[si][si]4[si]#[si][si]5[si]#[si][si]6[si]#[si][si]([si]#1)[si]1[si]2[si]3[si]4[si]5[si]61"]
["91209878","[Si]1=[Si]=[si]2[si]#[si][si]3[si]4[si]([si]#[si][si]([si]24)=[Si]=1)=[Si]=[Si]=[Si]=3"]
["93228768","CC(C)CNCC(O)CN(C)C(C)C"]
["172664061","O=C1OP2OC(=O)C(=O)OP(OC1=O)OC(=O)C(=O)O2"]
["168433696","C=C1C=C([N-][C+]([S-])[N-]c2ccc(=CC=C3C=[C-]C(C(C)CC)C=C3C)c(=C)c2)CC(C)C1[C-]=Cc1ccc(C(C)CC)cc1C"]
["155825039","CC[C@H](C)c1ccc2[nH]c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)c(-c3ccc(Cl)cc3)c2c1"]
["172922033","CCC(CC1CC([Si](C)(C)C2CC(C)C3CCCCC32)C2CCCCC12)c1ccccc1"]
["74320232","CCC(C)c1cccc(OC(=O)C23CCC(CC2)C3)c1"]
["171094495","C=CN(C)c1ccc(Oc2ccc(Nc3ncnc4ccc([N+]5=CCOCC5)c(OC)c34)cc2C)cc1C(C)CC"]
["65522599","CCCCCCCN(C(=O)C(C)N=C(O)OC(C)(C)C)C(C(O)=NCCC(=O)OCC)c1ccc(C)c(C)c1"]
["42990718","Cc1ccc(C(C)C)cc1OC1C(C)CC(C)CC1O"]
["178944271","CC[C@H](C)c1ccc(OCc2ccccc2)c(C)c1"]
["180793308","C=NC([O-])N=CC([C-]=C(C)CC1CCCC1)c1ccc(Cl)cc1.CC1CCCC1.[Fe+2]"]
["176484953","CC1CCCCC1.CCCC(CC)Oc1cc(Cc2ccccc2)c2c(Oc3ccccc3)cc(C)c3c4c(CC5CCCCC5)cc(Oc5ccccc5)c5c(Cc6ccccc6)cc(OC(CC)CCC)c(c1c23)c54"]
["22471929","CC(C)c1ccc(/C=C2/Oc3c(ccc4c3C[NH+](C3CCCCC3)CO4)C2=O)cc1"]
["107071827","CC[C@@H](C)c1ccc(CCCN2CCNC[C@@H]2C)cc1"]
["168187282","NNC1NC=CN=C1N/N=C/C=N/N=c1cncc[nH]1"]
["132867638","OC(CC1CCCCC1)=NCC(O)=NN=c1cncc[nH]1"]
["151453140","c1cc(N=c2cncc[nH]2)nc([C@H]2CN(Cc3ccnc4ccccc34)CCO2)c1"]
["99216177","N#CN=C(Nc1cccc(/C(=C/CCCC(=O)O)c2cccnc2)c1)NC12CC3CC(CC(C3)C1)C2"]
["106736018","O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccnc(N=c2cncc[nH]2)n1"]
["138789079","O=C(NC1CC1)c1ccc(NC(O)=NN=c2cncc[nH]2)cc1"]
["MCULE-6591220750","Cn1cc(-c2ccc3oc(C(=O)N=c4cncc[nH]4)cc(=O)c3c2)cn1"]
["92412412","COCCN=C(S)NCc1ccncc1C"]
["151462161","CS(=O)(=O)N1CCC(CCc2ccnc(N=c3cncc[nH]3)c2)CC1"]
["158856515","CN=C(O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1"]
["161873118","Cl.NNOC(=O)c1cccnc1"]
["106720543","CC(C)CC(=O)N1CCC(c2nccnc2N=c2cncc[nH]2)CC1"]
["19615625","C[N+](C)([CH-]C#N)CC[N+](C)(C)CC#N"]
["172423534","C[Si](C)(Cl)CC#N"]
["25398519","C[Si](C)(C)[Si](C)(C)CC#N"]
["90194551","Cc1oc(CC#N)c(C)c1Cl"]
["171515120","CCNC[C@@H](C)CC#N"]
["53179134","[CH]C(CC)CC#N"]
["79385317","COCC(C)O.N#CNC#N"]
["173427368","N#CCNNCCCl"]
["92111322","CCCC(C)CNC(C)CC#N"]
["52929845","CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)O.[Br-]"]
["14465354","CC[C@H](C(=O)[O-])[C@@H](O)CC#N"]
["79708121","CCC(CC#N)C[SiH](Cl)Cl"]
["46840624","C1=C[Si]=[Si]=N1"]
["171268961","O=C1N=C(O)C(c2ccccc2)(c2ccccc2)N1Br"]
["27035972","CC(C)(C)C1=CC(=N)[N]C=C1"]
["182050816","[N-]=[N+]=NC1=CC(=O)C2=CN=CC2=C1"]
["74310830","[NH2+]=C1C=C[N]C(=O)N1"]
["26576162","C1=NC=C[S+]=1"]
["82835353","O=c1ncc(Cl)c(Cl)[c-]1Cl.[Na+]"]
["91567072","C1=CN=[Si]=N1"]
["44568489","O=C1CCNN=C1c1ccccc1"]
["162009192","NC1=CC(N)C=CN=C1"]
["167109653","C.O=C1N=NC(=O)N1c1ccccc1"]
["91584863","C1=NN=[Si]=C1"]
["75209722","C1C[N+]2(CC[N]1)OCO2"]
["25383387","C1COC[N]1"]
["123904170","CC(C)c1nnc(CN2CCN(C(C)C)CC2)o1"]
["192826746","C[N+]1(C)CCN=C1Cl.[Cl-]"]
["74958976","O=C(O)[N+]1([O-])CCN=N1"]
["42049798","CC(C)C1COCOC1"]
["195354816","O=CC[N+]1([O-])CCCCO1"]
["182555688","[N-]=[N+]=NC1=NC(C2=NCCS2)CO1"]
["26529824","C#CN1CC[N]CC1"]
["193436968","CCCCCCCCCCCCCCCCC1=NCC[N+]1(CCCC)CCCC.[Cl-]"]
["191084861","C.CC1=NCC[N+]1(C)C.II"]
["185980666","CC1C[N+]([O-])(c2ccccc2)CCO1"]
["174467941","[O-]C1=N[C-]=C2C1=[C-]N=C2[O-]"]
["172726318","P.[Al+3].[O-][Si]([O-])([O-])O"]
["52588705","O=S(=O)(O)C1N=C([O-])CC(O)=N1"]
["20529794","[O-]c1cc(Cl)c(I)nc1Cl"]
["91696461","[In+3].[O-][Si]([O-])([O-])O[Si]([O-])([O-])[O-].[Y+3]"]
["66294398","[K+].[O-]c1nc(OCl)nc(OCl)n1"]
["90993819","O=[N+]([O-])c1ccc(Cl)c2cnncc12"]
["24084440","O=c1c([O-])c([O-])c(=O)c(=O)c1=O.[Na+].[Na+]"]
["5680066","[O-]c1ncc(Cl)c(Cl)n1"]
["187143145","[O-]c1c2ccccc2c([O-])c2[n-]cnc12"]
["183703866","O=C1N=C([O-])c2c(Cl)c(Cl)c(Cl)c(Cl)c21.[Al+].[CH3]"]
["61133829","O=c1c([O-])c([O-])c(=O)c1=O.[Na+].[Na+]"]
["46139946","[O-][n+]1c(Cl)c(Cl)c(Cl)c(Cl)c1SSc1c(Cl)c(Cl)c(Cl)c(Cl)[n+]1[O-]"]
["55299254","Fc1cc(Cl)c(F)c(-c2n[nH]cc2Cl)c1"]
["185158143","Clc1ccnc(SSc2nccc(Cl)c2Cl)c1Cl"]
["193287043","[Mg+2].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["100321314","Cc1c[n+]([O-])c(Cl)c(C)c1C=S"]
["68037594","[O-][n+]1c(-c2ccccc2)ccnc1Cl"]
["93063980","Cc1c(N)cc[n+]([O-])c1Cl"]
["101703408","[Cu+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["159020173","CO.Cc1c(F)ccc(Br)[n+]1[O-]"]
["3019422","Cc1nc(C)c(C)[n+]([O-])c1C"]
["145589611","Fc1c(F)c(Cl)c(C(F)F)c(Cl)c1F"]
["200468869","CS[13c]1[13c](Cl)[13c](Cl)[13c](Cl)[13c](Cl)[13c]1Cl"]
["194384132","CC=CP(=O)=S.[N-]=C=O"]
["177587438","CC=CC(=O)OC(=O)/C=C\\C(=O)OC(=O)C=CC"]
["168664294","CCCCCCCCCCCC.[N-]=C=O.[N-]=C=O"]
["191493677","C1CC2CCC1C2.[N-]=C=O"]
["183413776","CC=CC(C)S(=O)N=[N+]=[N-]"]
["168664327","CCCCC(Cl)(Cl)CC.[N-]=C=O.[N-]=C=O"]
["192428215","CC(C)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1.[N-]=C=O"]
["99783406","C/C=C/C(=O)S(=O)(=O)[O-].[Na+]"]
["194610575","C/C=C(\\C)C(=O)OC(O)(N=C=O)C(C)(O)N=C=O"]
["78214260","O=C=C=CO"]
["200578893","CCC.[N-]=C=O.[N-]=C=O"]
["79788785","C/C=C/C(=O)[O-].C/C=C/C(=O)[O-].[Pb+2]"]
["91582449","OP1#CC1=[OH+]"]
["99339685","OC1=COCCC1=[OH+]"]
["79841785","OP1OOO1"]
["91616264","C=PNO"]
["78565735","Oc1cc([AsH2])c([AsH2])cc1[AsH2]"]
["104890482","C=C1N=C(O)[C@@H](C)C1=C"]
["179878999","OC1=C(F)C[C@H]1F"]
["78516324","OC1=C(O)C#C1"]
["78965224","[NH3+]N([O])C1=CC(=O)C=C=C1"]
["54396860","CC(C)=C1P(C(C)(C)C)P1C(C)(C)C"]
["168454246","[NH3+]c1c(O)c(=O)c1=O"]
["175194307","OC([N+]#CC1CCCCC1)=C1C#CC(=[OH+])C=C1"]
["199337600","Cl.[2H]C1=C2C([2H])=C(N([2H])[2H])C([2H])=C2C([2H])C2=C1OC([2H])O2"]
["181289398","[2H]C1Oc2ccc([C@H](O)C(=O)[O-])cc2O1"]
["176393803","[2H]c1cc2c(cc1[2H])OC(C1=N[C@@H]([2H])[C@@H]([2H])N1)CO2"]
["171226843","O=C(O)C1=CC2=CC3=C(CC2=CN=N1)OCO3"]
["199823527","[2H]c1c2c(c([2H])c3c1C([2H])C([2H])(N)C3[2H])OC([2H])([2H])O2"]
["57023152","[2H]C1Oc2ccc(O)cc2O1"]
["176393885","[2H]c1cc2c(cc1[2H])OC(C1=NC([2H])C([2H])N1)CO2"]
["169716497","[2H]C1=C(N)C([2H])=C2C1=C([2H])C1=C(OC([2H])O1)C2[2H]"]
["4159687","CCOC(=O)c1cc2c(c(Cn3cnc4scc(-c5ccc(C)cc5C)c4c3=O)c1)OCOC2"]
["176394047","[2H]c1cc2c(cc1[2H])OC(C1=N[C@@H]([2H])[C@H]([2H])N1)CO2"]
["199823546","[2H]C1c2cc3c(cc2C([2H])C1N)OC([2H])([2H])O3"]
["58194519","O=C1C=CC2=C(OCO2)/C1=C/NO"]
["194259719","Cc1c(P)c(-c2c(C)c3c(c(C)c2P)COC3)c(C)c2c1COC2.Cc1c2c(c(C)c(P(Cl)Cl)c1-c1c(C)c3c(c(C)c1P(Cl)Cl)COC3)COC2"]
["112398887","CC(C)(C)n1nc(Br)c2c1COC2"]
["161542901","Cc1cccc2c1COCc1nnc(C)n1-2"]
["107237305","Cc1oc2c(c1[C@@H](C)N)CCC2"]
["101756854","CC(C)c1n[nH]c2c1COC2"]
["167446420","Cc1cc(C)c(-c2cc(C)cc(-c3c(C)cc(C)cc3C)c2P(Cl)Cl)c(C)c1"]
["66829977","Cc1c(C(=O)NN)oc2c1/C(=N/NC(=N)N)CCC2"]
["189016052","CN1CCC[C@@H](N=c2[nH]nc(-c3c(O)cc(Cl)cc3F)c3c2COC3)C1"]
["163092562","Cc1c(S(C)(=O)=O)ccc2c1COC[C@@H]2N"]
["93198017","CCC(NC)c1ccc(N(C)C2CCOCC2)cn1"]
["27725336","CCOC(=O)c1c(-c2c(OC)ccc3ccccc23)c(C)c2c(c1-c1ccccc1)COC2"]
["107633114","Cc1occc1[C@H]1CNCCCO1"]
["179132850","CC1=CC=C2C=CC(Br)=NC(=N1)[C@H]2C"]
["96350921","Cc1cc(Br)cnc1OC1CCC(C)CC1"]
["177455635","Cc1c(Br)cnc2c1C(Cl)CCO2"]
["161347242","CC1=NC(C)C(C)=C2CC(CO)CN12"]
["144812814","Cc1ccccc1-c1nc(Br)c2n1C(C)CCC2"]
["127234799","Cc1ccccc1C(C)N=C(O)C(C)S(=O)(=O)c1ccc(Cl)cn1"]
["75062077","Cc1n[c]c(Br)cn1"]
["180357300","CC(O)C1(C)C(Br)=CC=CC1C"]
["89173974","Cc1cc(Br)c2oncc2c1"]
["157789533","CC(C)n1nccc1[C@@H](O)[C@H]1C[C@H]1C"]
["92003625","CC(C)c1nc(Br)cc(Sc2nnc(O)n2C2CC2)n1"]
["108176803","CC1=C[C@H]2N=CN=C2C=C1"]
["162798574","Oc1ccc2scc(O)c2c1CCl"]
["159317414","COc1ccc(I)c(F)c1CCl"]
["120862554","CN(C)C(c1csc2ccccc12)C(C)(C)O"]
["26036476","Oc1cccc(CCc2ccccc2)c1CCc1ccccc1"]
["4193307","Oc1ccccc1/C=N/c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1"]
["CSSS03598745884","CCn1cncc1CNCc1csc2cccc(F)c12"]
["162789021","CCc1csc2c(O)ccc(C=O)c12"]
["95851502","OC(Cc1ccc(Cl)s1)C(F)F"]
["162615924","CCOc1cc(Br)c2c(Cl)csc2c1"]
["120842603","CCC(C(=O)OC)c1csc(C)n1"]
["111808994","C/C=C(/CC)C(=O)c1ccc(Cl)s1"]
["91169634","ClCc1nc(-c2csc(-c3ccc(Cl)cc3)n2)sc1Br"]
["179765601","C[I-]C12CC1C1CI1[I-]C13CC(CC1[I-]2)[C@@H](C12CC(C)C[C@@]1(C)[C@]1(I)CC1C1CI1[I-]C2(C)C1CC1)C(C1CC1)C3"]
["184191764","CCC(I)CCI1CN[C@@]23CCCC2N[I-]C3C1"]
["178506255","CC12C3CCC4CC56CC(C)(C45C)C1(C)C6C2C3"]
["185463996","CC1CC2CCC3CC(C)(Cl)CC4CCC(C1)C2C34"]
["180908938","CCC12C3C4CCC5[C@@H](C)C(C4)C(C)(C)C14C3C[C@H]1C3CCC2(C54C)[C@]3(C)C1(C)C"]
["184176217","CC1CC2C3CC4CC5C6CC7CC68C5(C)C5(C)C7C1C8(C2(C)C)C5(C)C43C"]
["177584650","CC1=C2C[C@H]3[C@@H](CC[C@@H]4C/C(=N/I)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(C)[C@H]1[C@H]2C"]
["179976831","CC1CC(C)(C)C23C4(C)CCCC56C(C7C8C9C[C@@H](C)C9%10C1(C)C2(C)C8%10C753)[C@H]1CCC146"]
["149973000","CC1CCC(C2CCC(C3CC4CCC(C)C(C)C4C3(C)C)CC2)CC1"]
["172056699","C=CC(=O)N(CC)CC(=O)N1C[C@@H]2[C@@H]3CC[C@H](C3)[C@]2(C)C1"]
["180187466","CC1CCC2CC1CC1(C3CCCC3)C[C@@H](C)C[C@](CCCCCI)(C[C@@H](C)[C@H]1C)C1CCCC1PC1CCC(SC1)C1CCC2C(C)C1"]
["55146969","CC1CC2CC(OI)(C3CC3)C12"]
["97184657","C[Si]1(C)[Te][Si](C)(C)[Si]2([Te]1)[Te][Si](C)(C)[Te][Si]2(C)C"]
["195275054","C[Si]1(C)CCC[Si](C)(Br)C1"]
["52015045","C=C1CC[Si](C)(C)C1"]
["96798352","C[O+]1[Si](C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si]1(C)C"]
["25819563","C[Si]1(C)[Si](C)(C)[Si]2(C)[Si](C)(C)[Si](C)(C)[Si]12C"]
["68227314","C[Si]1(C)CC[Si](C)(C)C1"]
["172777346","C[SiH]1CC[Si](C)(Cl)CC1"]
["42136117","C=C1CCC[Si](C)(C)C1"]
["79592578","CC1=C2C[C]=C1[Si](C)(C)[Si]2(C)C"]
["25615241","C[Si]1(C)[Si](C)(C)[Si]2(C)[Si]1(C)[Si]1(C)[Si](C)(C)[Si](C)(C)[Si]21C"]
["161880355","C[Si]1(C)[As]2[Si](C)(C)[Si](C)(C)[As]1[Si](C)(C)[Si]2(C)C"]
["97061097","C[Si]1(C)S[Si](C)(C)[Si](C)(C)[Te]1"]
["179695667","CC(N)CC(S)NCC1NCC(C(CN)CN)N1CC(N)CC1CCNC1"]
["143821833","OC(CC1CCNC1)=NC1CCN(c2ccccc2)CC1"]
["142588441","CC1CCN(c2ccc(CN=C(O)CC3CCNC3)cn2)CC1.Cl.Cl"]
["62394696","Cc1cn(CC2CCNC2)nc1[N+](=O)[O-]"]
["54567331","O=[N+]([O-])c1cccc(NC(O)=NCCC2CCNC2)c1"]
["178008086","CCN(CC)C(C)C1CCNC1.Cl.Cl"]
["85221512","CC(NCC1CCNCC1)c1c(F)cccc1F"]
["27167581","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C4CCNCC4)C3)C[C@H]12"]
["53807773","Oc1nnc(OCC2CCNC2)c(O)n1"]
["197144966","CCc1cn(CC2CCCCNC2)nn1"]
["108601990","Cc1nc(C)c(-c2ncc(C[C@H]3CCNC3)o2)o1"]
["184571359","CC/C=C(/CCN1C(N[C@@H](C)NC[C@@H]2CCNC2)=C(CN)NC1O)C[C@H](C)O"]
["172915564","Cc1ccnc(Oc2cc(Oc3ccc4c(c3)B(c3ncc(C(C)C)cn3)c3cc(Oc5cc(Oc6cc(C)ccn6)cc(C(C)C)c5)ccc3-4)cc(C(C)C)c2)c1"]
["200051217","Cc1cc(Oc2cc(C)cc(-c3nccc4c3Sc3cc(CC(C)(C)C(F)(F)F)cc5cccc-4c35)c2)cc(-c2ccccn2)c1"]
["177845372","CC(C)c1ncc(-c2ccn(C)c(=O)c2)cn1"]
["165564253","Cc1ccnc(N2CCN(c3nnc(C(C)(C)C)s3)CC2)c1"]
["MCULE-1330651464","CCCOc1ccc(-c2cc(C)c(N=C(O)c3ccncc3C)cc2F)cc1"]
["192021928","N#Cc1cccnc1Oc1ccc2c(c1)CCB2O"]
["184777272","[2H]c1ccc2c(c1)c1ccc(Oc3cc(-n4nc(C(C)C)c(-c5ccccc5)c4C(C)C)cc(C(C)(C)C)c3)cc1n2-c1cc(C(C)(C)C)ccn1"]
["27800017","CN(C)Cc1cc(Oc2ccc(NC(O)=NC3CC3C3CCCCC3)c3ccccc23)ccn1"]
["97339820","CN(C)CCNCc1ccc(Oc2ccc3c(c2)-c2nc4nc(nc5[nH]c([nH]c6nc(nc-3n2)-c2cc(Oc3ccc(CNCCN(C)C)cc3)ccc2-6)c2cc(Oc3ccc(CNCCN(C)C)cc3)ccc52)-c2cc(Oc3ccc(CNCCN(C)C)cc3)ccc2-4)cc1"]
["MCULE-1088474076","COc1nc(C)nc(N=C(O)Cc2ccc(-c3ccc(C(C)C)cc3)cc2F)n1"]
["21050649","Cc1cccc(OC[C@@H](C)NCc2cnc(N3CCCC3)nc2)c1"]
["181888802","CCCC(CNc1cnc(C)cc1C(=O)NC(C)c1ccc(OC(F)(F)C(F)F)cc1)CC(C)C"]
["178562236","ClC[CH-][I]C[I]Cl"]
["100283627","N[Si]CCl"]
["99702811","CC(CCl)OP(=O)=O"]
["78188726","C=C(Cl)[I]Cl"]
["172673457","Cl.ClC[CH-]C(Cl)(Cl)Cl.[Fe]"]
["161679659","ClCB1NB(CCl)NB(CCl)N1"]
["162062238","CC(CCl)OP(C)Cl"]
["102883990","O[C@H](CCl)CN(CCN(C[C@@H](O)CCl)C[C@@H](O)CCl)C[C@@H](O)CCl"]
["174710095","CO[N+](CCl)(OC)OC.[Cl-]"]
["174011691","NOCCl.O"]
["88037375","Cc1nc2cc(Cl)ccn2c1CCl.Cl"]
["168856967","ClC[CH-][CH-]C#CI.[Mg+2]"]
["91453963","OC12CCC(PF)(CC1)CC2"]
["179572937","CC1(OCS)CC2CCCC(O)(C2)C1"]
["61504826","CC1(O)CCC2(CC1)C(C)(C)C2(C)C"]
["34085870","N#CC1(O)CCc2ccc(F)cc2C1"]
["196446169","O=C1OC/C(=C(\\CF)c2ccccc2)C12CCC2"]
["186258673","C=C(C)NC(=C)C1(C(C)C)CCC(F)(F)CC1"]
["50760006","OC12CC3C4CC5(O)CC(C(C1)C3(O)C5)C4(O)C2"]
["85377107","CC1(C)CCCC1(O)c1ccc(F)cc1"]
["11536594","OC1(c2cccc(F)c2)CCCCC1"]
["74762940","CC1(C)CCCC(C)(C)[N+]1([O-])O"]
["199289693","C1CCCC1.C=C(C)C1(C)CCC1"]
["183005484","[N-]=[N+]=NC1(O)CCC1F"]
["176345985","CC.S=[C-][n+]1cnc[cH-]1.[W]"]
["76685017","CC1=NC(=S)C(=O)[N+](C)=C1"]
["51857999","c1cn[nH]c1.c1cscn1"]
["189896745","CC(C)[n+]1cncn1C"]
["101300143","CC1C=[N+](C)C(C)S1"]
["62596309","Cn1nc[n+](C)n1"]
["173397944","Nc1cnc[n+](O)c1"]
["103880477","CNC1=C2C(=NCN2C)N(C)C(SC)=N1"]
["170108021","C#CN(C)[n+]1cccnc1"]
["170030359","CSc1ccncc1C(C)(C)C"]
["175683155","CC.Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1"]
["121010439","[2H]c1nc([2H])c(C([2H])([2H])[2H])nc1[2H]"]
["75282765","FC1=[C+]C(F)=Cc2c1ccc1[c-]c(F)ccc21"]
["MCULE-9560920355","O=C1C(Nc2cc(F)ccc2F)=C(c2ccc(F)cc2F)C(=O)N1c1ccc(F)cc1Cl"]
["187910345","CC1(C)CC(CN2C[C@H]3CC(N=c4ccc(-c5cc(F)ccc5Cl)n[nH]4)C[C@H]3C2)CCO1"]
["155697455","O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Br)=COc1ccc(F)cc12"]
["174538383","C=C1C=C(C)c2cc(F)ccc2O1"]
["174362960","O=C1Nc2cc(F)ccc2C1=S"]
["MCULE-8555066592","Oc1n[nH]c(Cl)c1-c1cc(F)ccc1F"]
["4159240","C[C@@H]1C[C@@H](N=C(O)CCn2ccnn2)c2ccccc21"]
["74649911","[O]c1ccc2c(-c3cc(F)ccc3F)noc2c1Cl"]
["141596732","CC(CN=C(O)CCn1ccnn1)c1ccc(F)cc1F"]
["102703174","CO[C@H](CN=C(O)Nc1c(F)cccc1F)c1ccc(Cl)s1"]
["97779938","COC(=O)C1=C(O)c2ccccc2OC1c1ccc(F)cc1"]
["79941526","n1p[nH]p1NONp1np[nH]1"]
["136881584","CC(C)n1nccc1NC(O)=NN=c1cc[nH]cc1Cl"]
["52148429","c1ccc(Op2np[nH]2)cc1"]
["174476788","CNC(=N)O.c1c[nH]nn1"]
["111055113","CCCC(C)(C)NS(=O)(=O)c1cc[nH]n1"]
["78296557","[Ni+].[OH-].[c]1cc[nH]n1"]
["65451843","CCCCCOp1np[nH]1"]
["192176278","CNC.c1c[nH]nn1"]
["114284681","c1nc(SCCC2CNC2)n[nH]1"]
["162029208","CNN.c1cn[nH]c1"]
["78737391","C=CCp1np[nH]1"]
["156307836","CNC1(c2nc(=N)[nH]o2)CCCCC1"]
["173796043","CB(c1cnnn1[B]C(C)C)C(C)C"]
["166906772","Cc1nc(C(F)(F)F)ncc1C(C)OS(C)(=O)=O"]
["175522367","CC(C)[C@H](OC(=N)O)c1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1"]
["MCULE-7633088648","Cc1c(C=O)cnn1-c1cncc(C(C)C)c1"]
["96011541","CCCOCCC(NC)c1cnnn1C"]
["66533622","CCCNCC(C)CSc1cnn(C)c1"]
["MCULE-2238741950","Cc1cncc(-n2ncc(CBr)c2C(C)C)c1"]
["85658509","Cc1cc(F)c(C(C)n2nccc2N)cc1F"]
["94787800","CC1CCC(Cn2cncc2[C@H](C)N)CC1"]
["MCULE-4487157364","Cn1nc(C(F)F)c(-c2cc(F)cc(F)c2)c1I"]
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["91177448","C1=[Si]C2C3C1C23"]
["176355043","[C-]12[C-]3C1C1C2C31.[Na+].[Na+]"]
["96530022","[2H]C12C=CC3C(C=C1)C3C2=O"]
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["162165571","O=C1CC2C3C=CC3C3C1C23"]
["110789476","O=C1C(=O)[C@H]2[C@@H]3CC[C@@H]4C3C3[C@H](C=C[C@@H]32)[C@H]14"]
["175781399","[C-]1=CC2CCN1C2.[Li+]"]
["34274630","O=C1C=C[C@H]2C3C2[C@H]13"]
["151042422","O=C1[C@@H]2[C@H]3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]14)[C@H]2[C@@H]53"]
["110785941","Cl[C@H]1[C@H](Cl)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C=C[C@@H]43)[C@H]12"]
["167284332","Br[C@@H]1[C@H](Br)[C@H]2[C@H]3C=C[C@H]([C@@H]4COC[C@H]34)[C@H]12"]
["107924270","O=C1[C@H]2C=C[C@H]3C(=O)[C@@H]4C=C[C@@H]1C4C23"]
["168318408","C=[N+](C)c1sc2c([s+]1)C(=[OH+])C(=[OH+])c1sc(=[N+]([CH2-])C)sc1-2"]
["179273947","C=[N+](C)C1=C=C([NH-])C1=N.[CH3-].[U+2]"]
["32875444","CCOC(=O)C(CCCCCCSc1sc(=[N+](C)C)sc1C)C(=O)OCC.F[P-](F)(F)(F)(F)F"]
["68132083","C[N+](C)=c1sc2c(s1)C(=O)c1sc(=[N+](C)C)sc1C2=O"]
["63908219","C=[N+]([O-])c1cnc(C)s1"]
["43655577","CC[N+](C)=c1sc2c(s1)C(=[OH+])c1sc(=[N+](C)CC)sc1C2=O"]
["168318407","[CH2-][N+](CCC)=c1sc2c(s1)C(=[OH+])c1sc(=[N+](C)CCC)sc1C2=[OH+]"]
["54499226","C[N+](=c1sc2c(s1)C(=[OH+])c1sc(=[N+](C)C3CCCCC3)sc1C2=[OH+])[C-]1CCCCC1"]
["178580810","C=[N+](C)c1nc(C(F)(F)F)c(C(=O)OCC)s1"]
["180792174","C=[N+](C)C(O)=Nc1cncnc1"]
["51227595","C=[N+](CCC)c1sc2c([s+]1)C(=O)C(=O)c1sc(=[N+](C)CCC)sc1-2"]
["193178196","[CH2-][N+](C)=c1[n-]cnc2[n-]cnc12.[Ca+2]"]
["99641140","C[N+](C)(C)CC[As-]CC[As]=C1N=CC(N)=C[C+]1N"]
["175851997","C=C1c2c(F)cc(C(C)(C)C)cc2C=NN1Cc1ccc(Br)c(COCC)c1"]
["46356610","Cc1cc(N)ccc1-n1ccc(C(F)(F)F)n1"]
["74986704","Cc1cc(CC[N+](C)(C)C)cc(Cl)c1N"]
["100606643","CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CC1=CSC2=NCCN12"]
["173635436","COc1cnn(CC[N+](C)(C)C)c1"]
["113286197","Cc1nc(CN=c2[nH]n(C)cc2N)no1"]
["91463440","C[N+](C)(C)CCOc1ccc(N)cn1"]
["172601061","CCN(c1ncccn1)S(=O)(=O)c1ccc(N)cc1"]
["60561208","CCOCCNS(=O)(=O)c1ccc(N)cc1"]
["172693585","N=C(O)[C@H]1[C@H](c2ccc(N)cc2)C1(Cl)Cl"]
["74246591","CC1=C/C(=N/c2ccc(N(CCC[N+](C)(C)C)CCC[N+](C)(C)C)cc2)C(=[N-])C(Cl)=C1[O-].Cl.[Cl-]"]
["65916243","CCC(CC(CC(CCCC12[OH+]C(C)C([OH+]1)C(C)[OH+]2)P([O-])[O+]=O)P([O-])[O+]=O)P([O-])[O+]=O"]
["81520000","CCOC(CCC(C(=O)S)=C(C)CO)OCC"]
["175331807","CCOS(=O)(=O)[O-].CC[N+](C)(C)CCCNCCCCCCCCCCCCCCCC(C)C"]
["3259976","CCCC[C@@H](CC)C(=O)N1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)C[C@H]1C"]
["97218794","CCC(CCCCCCC(C)O)S(=O)(=O)[O-].[K+]"]
["97187622","CCCC(O)CCCCCCCCCCCCCC(C)S(=O)(=O)[O-].[K+]"]
["109444419","CC[C@@H](O)c1cc2c(c(C)c1Cl)NC(=O)[C@H]2C"]
["180097412","[B][C@@H](CO)C[C@@H]([C@H](C)N(C)C)[C@@H]1CC[C@H](C)C(=O)[C@@]1(CO)CCCC"]
["25639480","CCCCC(CC)CC12OC1(O)CC2C"]
["94831645","CCCCC(CC)CC(=O)c1cc(Br)ccc1C"]
["159122492","CC[C@H](C)N1C[C@@H](C)[C@H](Cl)[C@@H](C)C1"]
["74703209","CCCC(OCC)S(=O)(=O)[O-].CCCC[N+]1(C)CCCC1"]
["161712389","[B+]1[B-]2=[Si]C1C2"]
["8615539","C[C@H](N[NH3+])C1CC1"]
["171398883","CC(C)P(C1CCCCCC1)C1CCCCCC1"]
["59126971","C1[C@H]2[C@H]3C[C@H]3O[C@@H]12"]
["67435281","NC1CSCC(N)S1"]
["98451547","OC(C(=S)C12CCC(CC1)C2)C12CCC(CC1)C2"]
["77707015","OC(O)C1CC(C(O)O)CC(N(O)O)C1"]
["161553206","C=[C-]C1CCC1.[Na+]"]
["168513322","[B+]1C2C[CH]CC12"]
["75467244","CC(C)P(Cl)C1CCC1"]
["26911693","OC1CC(O)C(O)CC1O"]
["169345594","O=C1[C@H](F)C[C@H]2C[C@@H]12"]
["179721589","C#[N+]C1C(C#N)C23C(C#N)[C@@H]2C(C#N)C(C#N)C(C#N)(C(F)(F)F)[C@@H]13"]
["63837483","CCCC1CCC(C#N)(NCC(F)(F)F)CC1"]
["65190736","CC1(C)CC=CC(O)C1C#N"]
["46802426","CCN(CC)CCNC1(C#N)CCCC(C(F)(F)F)C1"]
["85152880","CCCNC1(C#N)CCC(N(CC(F)(F)F)C(C)C)C1"]
["162726883","N#C[C@]12[C@@H]3[C@H](O)[C@H](O)[C@@H]1[C@@H]2[C@@H]3O"]
["77339708","CCCC(F)(F)CC(N=C(O)N1CCC2(CC1)CC2)C(O)=NC1(C#N)CC1"]
["97596140","N#CC1(C#N)C(C(C(F)(F)F)C(F)(F)F)=C(Nc2ccccc2C(F)(F)F)CC1(C(F)(F)F)C(F)(F)F"]
["102990940","N#C[C@@H]1OC2([C@@H]3CC4C[C@H]2CC(F)(C4)C3)[C@@H]1C#N"]
["163070004","CN1C(C#N)CC(=O)CC1C(F)(F)F"]
["160738406","N#CC1(C(O)=NC2CCCC(C(F)(F)F)C2)CC12CCCC2"]
["179878327","CCOC(=O)C1SC(C#N)C(C#N)C1C(F)(F)F"]
["175535056","[B+]=C([CH-]F)C(F)F"]
["33449732","CCOC(=O)C(CC)C(=O)C(F)F"]
["184772383","[B]C(=C/N)/C=N/C(F)F"]
["175668931","CC(=O)N(/C=C(\\C)C(C)C)C(F)F"]
["50080408","N#CCC(=O)C1(C(F)F)CC1"]
["199304560","CC(C)=C(N)C(F)F"]
["99904810","CC(F)P(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F"]
["177891307","CNC(F)C(C)=C(C)C"]
["172877657","O=C(/C(F)=C(\\O)C(F)F)C(F)(F)F.[Ag]"]
["197384744","COCc1ccoc1C(O)C(F)F"]
["191284685","CC/C(=N\\O)C(=O)C(F)F"]
["163273423","COC(C)(C)C(=O)C(F)F"]
["97038096","COP(OC)O[B-]1([O+]C)CCCCCCCC1"]
["80564311","COC1N=C(O)[NH+]=C(N2CCCC2)N1"]
["183882301","CC/C(=C\\C(=N)O)OP(OC)OC"]
["183084526","COP(OC)OC(Cl)Cl"]
["32827748","[2H]C([2H])([2H])CCCC[B-]1(OC)[C@H]2CCC[C@@H]1CCC2.[Li+]"]
["79683840","CO[SiH](OC)C(C1CCCCC1)[SiH](OC)OC"]
["74984573","COC(C)O[N+]1(C)CCCCC1"]
["78052533","CO[SiH](CCC1CCCCCC1)OC"]
["105643632","COCCN(CCOC)CC[C@H]1CCCNC1"]
["91784796","COc1cccc(N2CCCCCCC2)c1C(C)O"]
["92959281","COC(C)C(C)(O)C1(C#N)CCCCCCC1"]
["130021966","COCCCS(=O)(=O)N(CC1CCCCC1)C1CC1"]
["161681335","Pp1cnnn1"]
["192860718","[Na+].[Na+].c1cnnnc1"]
["169734407","N=[N+]=N.c1cnnnn1"]
["79799361","[N].c1cnnnc1"]
["161593092","c1cncnc1.c1cncnc1.c1cnnnc1"]
["172851755","N.N.c1cnnnc1"]
["26174735","c1nnns1"]
["1101563","c1cnnnc1"]
["161440077","C=C.c1cnnnc1.c1cnnnc1"]
["88169292","O=Cc1nnn2ccc(Br)cc12"]
["75640743","[Cl-].c1cnnnc1"]
["98485752","CC.c1cnnnc1"]
["103022581","[NH3+]C1=CC(=C2SC(=S)C=C2N(O)O)SC1=S"]
["173620049","CCCCC1=CC(=S)SC1=O"]
["195073472","[O-]N([O-])c1ccc(SSc2ccc(N(O)O)cc2)cc1"]
["62484012","CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1c[nH]c2ccccc12"]
["49924844","COc1cccc(/C=C2/SC(=S)N=C2O)c1O"]
["MCULE-1361653363","CCN(CC)CCN(CCO)C(=O)COc1ccccc1OC"]
["157052342","C[C@H](c1ccc(B(O)O)s1)N(C)C"]
["55931363","CC(=O)N1C(=O)C(=Cc2ccc(O)cc2O)SC1=S"]
["162584796","COC1=CC(=C2C=NC(=S)C=N2)SN1"]
["157996244","COc1ncc(C2(O)CC(OC)C2)s1"]
["45695922","CCC1=CC(=CNCC(=O)[O-])C(=S)S1"]
["58744372","COC1=CC(=CNC2CCCCC2)C(=S)S1"]
["172846947","O=S(=O)(OCCS)N1OC=CC=P1"]
["109483463","COCCS(=O)(=O)N1[C@@H]2CC[C@@H]1CC(N)C2"]
["49267486","CCCOS(=O)(=O)[O-].O=C1CC(c2ccccc2)Oc2ccccc21.[K+]"]
["44914841","CCOCCS(=O)(=O)Cc1cc(Cl)ccc1OC"]
["91612760","O=CC(OCCS)SC(SC(C=O)OCCS)C(SC(C=O)OCCS)SC(C=O)OCCS"]
["85107631","CCC(NS(=O)(=O)CCOC(C)C)C(=O)O"]
["170199256","O=C([O-])c1cc(C(=O)O)cc(S(=O)(=O)OCCO)c1.[Na+]"]
["73509852","O=S(=O)(O)CC1=CC=CC1"]
["147984643","CC/C(=C(/CC)c1ccc(OCCCCOS(=O)(=O)[O-])cc1)c1ccc(OCCCCOS(=O)(=O)[O-])cc1.[Na+].[Na+]"]
["171228204","Cc1cc(C)c(S(=O)(=O)OCCO)c(C)c1"]
["94120406","CSCCN(C)S(=O)(=O)c1ccc(OCCO)cc1"]
["65386661","O=S(=O)(O)O.SCCNCCCOC1CCCCO1"]
["193776025","CC1=CCC(/C(C)=C(\\C)C(C)(C)C(C)C)C1(C)C.CC1=CCC(C(C)/C(C)=C(\\C)C(C)C)C1(C)C.CC1=CCC(C(C)C(C)C(C)(C)C(C)C)C1(C)C"]
["51508666","CC1=CCC(C)C(C)/C1=C\\CC(C)(C)C(C)O"]
["167223418","CC(C)[C@H]1COC2(N1)ON(C(C)(C)C)[C@@H](c1ccc(Cl)cc1)C2(C)C"]
["59505360","CC(C)[C@H]1CC[C@@H](C)C2CC[C@](C)(O)C=C21"]
["174151789","C[C@H]([C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@@H](O)c1ccccc1"]
["153215134","Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@@]1(C)O)C2"]
["33987184","COc1ccc(CO[C@@H]2C[C@@H]3C[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC[C@]3(C)[C@H]3CC[C@@]4(C)C(=CC[C@@H]4[C@H](C)[C@@H]4OC(C)(C)O[C@H]4[C@H](C)C(C)C)[C@H]23)cc1"]
["84095309","CC1=CCCC(C)(C)C1(O)C#CCC(C)O"]
["68828988","COC(=O)C(C(=O)OC(C)(C)C)C(N)C1=COC=C(C2=CC=CCC2c2ccc(OC(C)=O)cc2)O1"]
["177594555","CC(=O)OCC(C)C=CC1CC=C(C)C1(C)C"]
["178633058","CC(C)(N=C=O)C1=CC=CC(C2(C)CN2C#[O+])C1"]
["51409246","Cc1cc(C)n2c(C3(C)COCC3N)nnc2n1"]
["78957364","[CH]1C=C2C(=C[CH+]1)C=C1[GeH3-]C=CC=C12"]
["199972849","O=C1C=CC=C2C1=Nc1cnccc12"]
["161884838","O=C1C2=CC=CC2=CC1c1ccccc1"]
["97141723","OC1(C2CC2)C2=C[CH][CH+]C=C2c2ccccc21"]
["175582324","OC1=CC(O)=C2C=CC=C12"]
["83405202","FC1C=CC=C2C(=S)C=NN=C21"]
["173482832","[B+]=C1CCC(=[CH-])C=C1C1=CC1"]
["76187604","S=C1C=C[C]2C=CC=C21"]
["96518654","Oc1cccc2c1=C[CH][CH+]C=2"]
["68561373","O=C1C=CC=C2C=C3c4cc(O)ccc4C=C[NH+]3C=C12"]
["74459425","[CH]1C=C(CP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)C=C[CH+]1.[Cl-]"]
["75970864","CCP(CC)(CC)(CC1=C[CH][CH+]C=C1)c1ccccc1.[Cl-]"]
["46993168","ClC1(Cl)C#[N+]SS1"]
["97255569","O=C1OC(=O)C(Cl)(Cl)C1Cl"]
["58496147","CC1(Cl)CSN=C1Cl"]
["161827922","ClC1(Cl)C2C(Cl)(Cl)C3C(Cl)(Cl)C1C(Cl)(Cl)C(C2(Cl)Cl)C3(Cl)Cl"]
["97620932","ClC12C3(Cl)C1(Cl)C23C12C3(Cl)C1(Cl)C32Cl"]
["75462821","CC1(Cl)CSC1"]
["57175125","CC[C@@H]1[C@H](CC)C1(F)Cl"]
["51001692","COC1(Cl)C(F)=C(F)C(=NCl)C(F)=C1F"]
["177269707","OC1(Cl)CSSC1(Cl)Cl"]
["79602690","N1=[N+]SSS1"]
["74524950","FC1=C(F)C(F)(Cl)C[C]=C1"]
["174407405","CC1=CC(Cl)(Cl)C(C)=C1"]
["97481857","[C+]1C=CC2C=CC1C=C2"]
["97210817","CC[C]1C(CC)=[C+]C=C[C@H]1C"]
["109023495","O=C1O[C@H]2C=C[C@H]3C=C[C@@H]2[C@@H]1C=C3"]
["84061969","CC12C=CC(C=CC1=O)C=C2"]
["108947910","FC1=CC2C=C[C@H]3C1[C@@H]3C=C2"]
["108947911","FC1=CC2C=C[C@@H]3C1[C@H]3C=C2"]
["97528311","CC1=[C+]C=C[C@@H](C)[CH]1"]
["96586774","C1=CC2C=CC1C1=C2CC1"]
["97071689","CC(C)=C1CC(C)(C)CC2=C1CC[C@@H]2C"]
["50666250","C1=CC2CC1C=C1CCC=C12"]
["109023494","OC1=N[C@@H]2C=C[C@H]3C=C[C@@H]2[C@@H]1C=C3"]
["97668368","C[C@@H]1C=C[C+]=C2CCC[C]21"]
["199337590","[B+]C1([B+])C2=C=C3OCO[C-]3CC2CC1[NH-]"]
["173164429","O=C([O-])c1cc(C2=C=C3OCO[C-]3CC2)c2cc3c(cc2c1)O[I+]O3"]
["143412398","N#CCCN(CC1CC1)CN1CCOC1=S"]
["80344055","CCCNC(=N)NC1CCOc2ccccc21.I"]
["59383004","C1=C2OCOC2OCC12CO2"]
["171483859","C=C1OCC2CCC1C2"]
["151087750","O=C1O[C@H]2C[C@H]3C[C@H]1C[C@@](O)(C3)C2"]
["175239054","CC.COc1cccc(OC)c1[O-].[B+]C([B+])(OC[O-])C1CCC2C[C-]3OCOC3=C=C2C1OC1CC([O-])C2OCOC([B+])([B+])C2O1"]
["99223247","CC1=C(C)[C-]2C=C=C1OCO2.[Br-].[Mg+2]"]
["174383199","O.O.[B+]=C1C=C=C2OCCO[C-]2C1"]
["178724164","C[C-]=C([I+]C(N=C(O)CCC)=NC)N1CCN(C(C)C2=C=C3OCO[C-]3CC2)CC1"]
["99645219","[B+]=C1C=C=C2OCCCO[C-]2C1"]
["171807029","NSCC#CCF"]
["56018965","NSCF"]
["162707174","C#CCSCCCF"]
["32334911","N#CSCC#CCN=C=S"]
["173678658","C=CCC(C)C(COC)SN"]
["200525895","CC(=O)SCC#Cc1ccc(N)c(N)c1"]
["78159520","CCC#CC(C)CF"]
["55743683","NC(CO)CF"]
["49447304","CCPSN"]
["180002013","CSCC(N)(F)F"]
["185632319","N#CSCC#CCOC(=N)O"]
["191454533","CC(N)S.NSCCO"]
["184489932","C.CC#CCn1c(=C2C=[C+]N(CC3=CC=C=C[CH-]3)C=C2)nc2c1=C([O-])N(C)N=C2.[U+2]"]
["52353176","CC#CCn1c(N2CCCCC2)nc2nc(OC3(C(=N)O)CC3)n(C)c(=O)c21"]
["18891642","CC#CCn1c(N2CCC[C@H]([NH3+])C2)[nH+]c2ccn(Cc3cccc4ccccc34)c(=O)c21"]
["83948802","[O-][S+](O)(=[O+]C1=CC=C=C[CH-]1)C(F)(F)F.[O-][S+](O)(=[O+]C1=CC=C=C[CH-]1)C(F)(F)F.[Zn+2]"]
["187046380","[C-]#[N+]c1ccc(COc2nc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)cc3F)ncc2F)nc1"]
["83275181","CC#CCn1c(=O)c(C2C=NN(C)C(=O)C2=O)nn(C)c1=O"]
["29282514","CC#CCn1c(N2CCC[C@@H](N)C2)c(O)c2c1c(=O)n(Cc1nc(C)cc(C)n1)c(=O)n2C"]
["24574290","CC#CCN1C(=O)C(CCc2ccccc2)(C2CCN(Cc3ccc(CO)o3)CC2)N=C1O"]
["88381581","CC(C)c1nc2cc(N)ccc2n1Cc1ccn(C)n1"]
["174203738","CC#CCn1c(N2CCCC(N)C2)nc2c(C)nn(CC3=Nc4ccccc4C4CCCCC4N3)c(=O)c21"]
["79254312","C1=CC=C(C=C=C2[C+]=CCC=C2)[CH-]C=1"]
["MCULE-9158371646","CC#CCn1c(CCCC(=O)O)nc2c1c(O)nc(=O)n2C"]
["81842780","C1#CON=[N+]1"]
["174520344","C1=NO[C-]=[N+]=1.[Al].[Al]"]
["50524492","C1#[N+][C@@H]2CO[C@H]1C2"]
["178634724","C1CC1C1=NO1"]
["44783805","c1cccn[n+]#1"]
["156382581","Fc1nc(Cl)[c]o1"]
["78147275","C1#COCC#[N+]1"]
["67984052","CC1N=COO1"]
["171880348","C[Si](C)(C)O[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)O[Si](C)(C)C"]
["99135378","C1#CON(N2N=CCO2)N1"]
["81842256","C1#CSN=[N+]1"]
["174553997","[Al].[Al].c1o[c-]n[n+]#1"]
["79029457","[CH2-]OCCCOC#[O+]"]
["186226254","COCCOCCO[Si](CCCOC#N)(OCCOCCOC)OCCOCCOC"]
["78881595","C[Si](C)(C)O[Si](O)(CCCOC#N)O[Si](C)(C)C"]
["79842722","C/C(Cc1ccc([O-])cc1)=C1\\C=CC(OC(=O)OCCOCCOC#[O+])=CC1"]
["91067377","CCOCCCC1=CCC=C1"]
["78768630","CC(C)CCCCCCCCCCCCCCCOC#N"]
["185913795","CCCCOC#Cc1ccc(C#COCCCC)cc1"]
["190474594","C=P(C)(C)CCCOC(C)C"]
["51736540","C[Si](C)(C)OCCCC1=CCC=C1"]
["27167237","OC(O)PCCCPC(O)O"]
["148821575","[C]#Cc1ccc(OCCC[CH2-])cc1.[Li+]"]
["173257932","[CH2-]CCO[CH2-].[W+2]"]
["170987789","S[Si]1(S)CCC[Si]C1"]
["52258230","C1CC[Si]CC1.[W].[W]"]
["91384949","O=S1CCC[Si]C1"]
["97685613","C[Si](C)(C)[Si@]12CCCCC[Si@@]1([Si](C)(C)C)CCCCC2"]
["78281321","C=C[Si]1(S)CCCCO1"]
["58571397","C1CC[Si]C1.[Zr+2]"]
["101449169","[SiH3]O[Si]1(O[SiH3])CCCO[Si]1(O[SiH3])O[SiH3]"]
["176459772","O=C1CC(=O)OC2(CC(F)C2)O1"]
["99920281","CC(C)C[Si]1(CC(C)C)CCC1"]
["74117482","[CH2-]CCC([C+]1CCCCC1)(C(F)(F)F)C(F)(F)F"]
["187231049","CC1(C[B-](F)(F)F)CCC1"]
["168439279","[CH2+]C[Si]1(CC)CCCCC1"]
["83292461","Ic1ccc2c(c1)N(c1ccccc1)C1C=C([NH+]=c3ccc4nc5ccc(I)cc5n(-c5ccccc5)c-4c3)C=CC1=N2"]
["101513888","N#Cc1ccnc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cc(C#N)ccn6)cc5)ccc3n4-c3ccccc3)cc2)c1"]
["100434221","Cc1cc(C)n2nc(N)c(C(O)=NC(C)c3nc4cccc(C#Cc5cnn(C)c5)c4c(=O)n3-c3ccccc3)c2n1"]
["101761618","CC(N=c1[nH]c(=N)[nH]cc1C#N)c1nc2cccc(-c3ccnc(O)c3)c2c(=O)n1-c1ccccc1"]
["172475991","c1ccc(N(c2ccc3nc(-c4ccc5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)oc5c4)oc3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1"]
["184421771","COC1=CCC(Nc2cc(=O)c3ccc(C)nc3n2-c2ccccc2)C=C1"]
["174641588","C1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C2=Nc3ccccc3C2=C1"]
["98627827","COc1nc2c3c(cccc3n1)N(OC)C(=O)N2c1ccccc1"]
["51518362","Cc1cc(N/N=C\\c2cc(C)n(-c3ccccc3)c2C)nc2ccccc12"]
["24441203","O=C(CSc1nnc(-c2ccc3ccccc3n2)n1-c1ccccc1)Nc1ccc(C(=O)O)cc1"]
["34171779","COC(=O)C1=C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@]12C(=O)N(C)c1ccc(C)cc12"]
["73564452","c1ccc(-n2c3ccccc3c3cc4c(cc32)N(c2cccnc2)c2cccc3cccc-4c23)cc1"]
["192315553","c1cc[14c]2c[14c]3[14cH][14cH][14cH][14cH]c3cc2c1"]
["195766590","Cc1cc(C)c(P(CCCP(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccccc1P(CCCP(c1ccccc1C)c1ccccc1C)c1ccccc1C"]
["50526953","Cc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(S(F)(F)(F)(F)F)c(F)c3)c(F)c2)cc1"]
["28590249","Cc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(N)n2n1"]
["63591495","CC(C)(C)C1CN(c2cnc3ccccc3c2)CCCN1"]
["175072124","Nc1cc2nc3ccccc3nc2[nH]1"]
["33807448","OC1=Nc2ccccc2Sc2ccc(O)cc21"]
["84051164","FC(F)(F)c1ccc2c(c1)N(CCCBr)c1ccccc1S2"]
["174598450","Nc1ccc2nc3c(cc(N)c4ccccc43)cc2c1"]
["131836162","CC(C)(C)OCC(O)=NC1CCS(=O)(=O)c2ccccc21"]
["69844503","Cc1cccc(C#CC(O)C#Cc2ccccc2F)c1"]
["74987257","BrC(Br)(Br)c1nc2ccccc2nc1C(Br)(Br)Br"]
["173996280","OCP(O)(O)(O)OB(OP(O)(O)(O)CO)OP(O)(O)(O)CO"]
["175385298","COB(O)O.OCCO"]
["171835643","CCP(C)(C)(O)CC"]
["66671446","OCC(O)P(O)(O)(O)C(O)CO"]
["192370706","COCc1c(F)c(F)c(CO)c(F)c1F.COCc1c(F)c(F)c(COC)c(F)c1F.OCc1c(F)c(F)c(CO)c(F)c1F"]
["175409337","CP(C)(O)(O)OCC1CO1"]
["60021376","[O]OCO"]
["91126055","COC(CO)(CO)C(=O)C(C)(C)C"]
["161374610","Cl.OCCO.[Ru]"]
["42082274","OCC(S)OC(S)CO"]
["171941646","FC/C(F)=C(\\F)OB(O/C(F)=C(\\F)CF)O/C(F)=C(\\F)CF"]
["190412996","C.C.OCOCO"]
["174076729","C[C-]=C([B+]/C(=C\\C)C1=CC2=BC(C(C)=B/C(=C\\C)C(C)(C)C)=CC2=B1)C(C)C"]
["178381982","CCC(C)(Cc1cc(C(C)C2CC2)c(O)cc1O)c1cc2c(cc1O)OC(C)(/C(C)=C(O)/C=C(\\C)O)C(C)C2(C)CC"]
["121121843","Cc1nn(C(C)(C)C)cc1C(C)N=C(O)C(C)(C)C"]
["173413119","CC=C(C)CCC[C@](C)(CCCC(C)C)N(CC)CC"]
["164347920","CC(C)C(=O)C(Cc1ccc(NC(C)(C)C)cc1)N(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C"]
["63896596","CC(C)CC(C)(O)CNC(C)c1ccc(F)cc1O"]
["169822823","CCOC(=O)c1ccc(N(CC=C(C)C)C(CC(C)C)C(=O)O)cc1"]
["138376083","CC(C)c1cc(C(=O)N(C)CC(O)C(F)(F)F)nn1C(C)(C)C"]
["120992961","CC(C(=O)O)N(C)CCc1ccc(C(C)(C)C)cc1"]
["173803395","C=Cc1nc(SC)ncc1C(C)NS(=O)C(C)(C)C"]
["145558679","C=C(C)/C(=C/C)C(=C)/C=C(\\C)c1cc(C)c(C)cc1CC(C)CO"]
["178963895","CC(=O)Oc1ccc(C(C)(I)C(C)C)cc1"]
["67426785","CC12CCC(OCC34CCC(C)(CC3)C(F)(F)C4(F)F)(CC1)CC2"]
["106396234","CCc1ccc(OC)c(CCN2CCC(C)(N)CC2)c1"]
["147289876","CCN(CC(F)(F)F)CC1(C)CCNC1.Cl"]
["148076087","COCC1(C(O)=NCc2c(Cl)cccc2OC)CCNC1"]
["175892587","O=CCn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F"]
["163822103","CC12CCN(Cc3cc[nH]n3)CC1C2(F)F"]
["47639432","CC1(NCc2ccccc2OC(F)F)CCS(=O)(=O)C1"]
["144986548","COc1cc(C2(C)CCCN2)c(F)cc1OC(C)C"]
["144884849","COCc1ccc(C2(C)CCCN2)c(F)c1"]
["114278306","CCOC(COC1(C)CCCNC1)OCC"]
["60928337","CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(=O)[O-])C1(F)F"]
["173362712","C=C(CCCC)OCC1(CC=O)CC[C@@]2(C)CCC3C[C@]2(OC3(C)C)C1=O"]
["175743777","[O-][p+]1cccnp(O)nn[p+]([O-])n[p+]([O-])cc1"]
["127836754","CC(N=C(O)N1CCOC(CN(C)C)C1)c1cccnc1"]
["147188470","Cn1ccnc1C(N=C(O)[C@@H]1CC[C@H](CN)O1)c1cccc(F)c1"]
["182663558","O=c1sc2c(O)ncnc2n1Cc1cccnc1"]
["153800365","Cc1noc2c1[C@H](c1cccnc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2"]
["160431594","O=S(=O)(N[C@H]1CCO[C@@H]1c1cccnc1)c1ccc(C2CCCCC2)cc1"]
["183017654","[B]1CCOC1n1cccn1"]
["135503864","CC(N=C(O)Cc1c[nH]c2ncccc12)c1cccc(Cl)c1Cl"]
["105870452","CCc1noc(C)c1C(O)=N[C@H](c1ccccc1)c1ccccn1"]
["87253486","Cc1ccncc1C1OCCC1CO"]
["156629929","Cc1ccncc1[C@H]1OCC[C@@H]1CO"]
["161787162","[O-][p+]1ccco1"]
["180195291","C=I1=CC(C=[C-]C(=O)C2C=CC=I2)=CC=C1/C=C/C(O)=NO"]
["74488657","COc1cc(CN2CC[C@@H](N=c3cnc(/C=C/C(O)=NO)c[nH]3)C2)ccc1F.Cl.Cl"]
["MCULE-9357687291","CC1CC(C)CN(C(=O)C(C)N=C(O)C=Cc2ccc(Br)cc2)C1"]
["148634649","CSc1ccc(CC(O)=NC2CCN(c3ccccc3C=CC(O)=NO)CC2)cc1"]
["135266921","COCCC(=O)N1CCC(N=C(O)C=Cc2cc(Cl)ccc2OC)CC1"]
["140293334","Cc1cncc(C=CC(O)=NCc2nc(C)c(C)s2)c1"]
["77338674","CC1CCN(C(=O)CCNc2ncc(C=CC(O)=NO)cc2Cl)CC1"]
["119088314","CCC(CCO)N=C(O)/C=C/c1cc(Cl)ccc1OC"]
["150138578","CC(C)C[C@H](NCc1ccc(CNCc2ccc(C=CC(O)=NO)cc2)cc1)C(=O)OC(C)(C)C"]
["80880738","CN1CCC2(CC1)Oc1ccc(C=CC(O)=NO)cc1C2=O"]
["114739709","OCC(CO)(CO)N=C(O)/C=C/c1ccc(Br)o1"]
["MCULE-2161748218","O=S(=O)(c1ccccc1)C(CN=C(O)C=Cc1cccnc1)c1ccccc1"]
["195831312","CC(C)C(O[SiH](Cl)Cl)C(C)C(C)C(C)C(O[Si-](Cl)Cl)C(C)C(C)C(C)C(O[S+](Cl)Cl)C(C)C"]
["78528202","CC(C)C(OCOI)C(C)I"]
["69606789","COC(C)C(C)=CC=CC=C(C)C(OC)OC"]
["54985867","CCNC(Cc1ncnc(OC)c1C)C(C)C"]
["173962489","CC[SiH](CC)OC(C)Cl"]
["145766743","CC(C)C(C)COS(=O)(=O)Cl"]
["181482604","CCC(C)O[SiH](Cl)OC(C)CC"]
["167319139","CC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C(C)=O"]
["174657420","CC(C)C(C)[SiH](Cl)Cl"]
["50563629","CCCO[SiH](CC[SiH](OC(C)C)OC(C)C)OCCC"]
["79703654","CC(C)C(C)C.Cl[SiH](Cl)Cl"]
["43111492","CCCNC(Cc1ncnc(OC)c1C)C(C)C"]
["91402875","Cl[Si](Cl)O[Si](Cl)(Cl)O[Si](Cl)(Cl)Cl"]
["61803331","C[Si](C)(C)O[Si](C)(Cl)O[Si](C)(C)Cl"]
["99514840","CO[Si](C)(C)OC.C[Si](C)Cl"]
["43075976","CC[Si]([B][Si](Cl)(Cl)Cl)(CC)CC"]
["192417690","[O-][Si]([O-])([O-])O[Si]([O-])([O-])[O-].[W]"]
["79968663","C[Si](C)(Cl)C[Si](C)(C)Cl.C[Si](C)(Cl)O[Si](C)(C)Cl"]
["47541099","CC(C)(C)O[Si](Cl)Cl"]
["175187395","[Ho+3].[O-][Si]([O-])([O-])O[Si]([O-])([O-])[O-].[Yb+3]"]
["172214334","ClCN([Si](Cl)Cl)[Si](Cl)(Cl)Cl"]
["66947632","C=CO[Si](Cl)(Cl)Cl"]
["26180812","CC(C)C[Si](Cl)(CC(C)C)O[Si](Cl)(CC(C)C)CC(C)C"]
["25841257","CC(C)CO[Si](Cl)(Cl)OCC(C)C"]
["184398322","COc1ccc(C#CC(C)(O)c2nccs2)cc1-c1c[nH]c2c[nH]c(=[NH2+])nc12"]
["113040649","Cc1cc(C#N)ccc1CNCC(C)(O)CN(C)C"]
["6735975","COc1ccc(CN(C)C(=O)c2cccs2)cc1OC"]
["28520998","COc1ccc2ncc(C#N)c(CCN3CCC(N(C)C(=O)c4ccc5c(n4)N=C(O)CS5)CC3)c2n1"]
["157307209","Cc1ccc(O)c(CN(Cc2nccs2)[C@@H]2CC23CCNCC3)n1"]
["4431350","CCOC(=O)COc1ccc(/C=N/N=C(O)Cc2csc(=N)[nH]2)cc1OC"]
["MCULE-2622969671","COc1ccc(N=C(O)C2CC(=O)N(C)C2)cc1-c1cc(C)cc(C)c1"]
["170815579","COc1cnc2c(-c3nc4cc(F)c(O[C@@H](C)[C@@H](C)OC(O)=Nc5cnc(OC)nc5)cc4s3)cc(Cl)cc2n1"]
["153327264","COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc(C#N)cc1F)C(F)(F)F"]
["MCULE-2236891201","COc1ccc(CC(O)=Nc2nc(C)ccc2-c2ccc(OC)c(F)c2)c(OC)c1"]
["MCULE-3762526094","CCc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1"]
["67202039","COc1ccc(/C=C/C(=O)c2cccs2)cc1COc1cc(C)c(Cl)cc1C(C)C"]
["74977548","c1cc2nn[nH][n+]3[nH]nn[c+](c1)c23"]
["65844962","N=c1ccc(COc2c(Cl)cccc2Cl)c[nH]1"]
["175389231","CC(C)c1cccc2nc(O)[nH]c12.[HH].[HH]"]
["50481822","Cc1nc2cccc(C)c2[nH]1.Cl"]
["161812236","C=C(C=O)c1cccc2nn[nH]c12"]
["13774839","Cc1ccc(-c2nsc(N=C(O)c3ccc4nn[nH]c4c3)n2)s1"]
["26779020","Oc1ccc2nnc3ccccc3c2c1"]
["155261946","OC1=N[C@H](c2nc3cccc(Br)c3[nH]2)CSC1"]
["90104262","O=C(O)CCOc1cccc2nn[nH]c12"]
["67798538","COC(c1cccc2nn[nH]c12)C(F)F"]
["175238905","OC(CCc1csc(Cc2ccccn2)c1)c1nn[nH]n1"]
["186415893","CC1CN(C(=O)c2nnc3ccccc3n2)CC(O)=N1"]
["186498449","CC(C)(C)c1[nH]c2[nH]c(-c3cc4c(C(C)(C)C)c(C(C)(C)C)[nH]c4s3)cc2c1C(C)(C)C"]
["MCULE-4483417459","N=c1nc2sc(-c3cc(C(F)(F)F)ccn3)cc2c(O)[nH]1"]
["177884903","Cc1scc(Cl)c1C(C)(C)C"]
["86487285","Cc1ccc(C)c(-c2nc(C(C)(C)C)[nH]c(=N)c2C)c1"]
["93604105","CN1C(=N)NCC1c1csc(C(C)(C)C)n1"]
["MCULE-8839199694","N=c1nc2sc(-c3cc(C4CCCC4)ccn3)cc2c(N)[nH]1"]
["150682449","CC(C)(C)N[C@H]1C[C@H](Oc2cc(C(C)(C)C)ccn2)C1"]
["193617332","Cc1cc(C2CC2)c(C(C)(C)C)c(C2CC2)c1"]
["183825109","N=C(O)c1cc2sc(=N)[nH]c2s1"]
["50090831","COc1cccc2nc3n[nH]c(N)c3cc12"]
["175310806","Cc1c#cc2sc(=N)[nH]c2c1"]
["87946032","COCCc1nc(C(C)(C)C)c(-c2csc(=N)[nH]2)s1"]
["83499696","CC(C)(C)S[C]1C(SC(C)(C)C)=C=C(SC(C)(C)C)C(SC(C)(C)C)=C1SC(C)(C)C"]
["54747934","CCC(C)(CC)c1ccc(SC(C)(C)C)cc1"]
["95281392","CN=c1nc(SC(C)(C)C)cc(C(F)(F)F)[nH]1"]
["26915402","CC(C)(C)Sc1c[c]ccc1"]
["86398989","CC(C)(C)Sc1nc(=N)[nH]c2ccccc12"]
["23864939","C=Cc1ccc(SC(C)(C)C)nc1C"]
["62204915","CC(C)(C)Sc1ncno1"]
["126856780","CC(N=C(O)CSC(C)(C)C)c1cccnc1"]
["97840469","C[C@H]1OCC2=C(SC(C)(C)C)C(=O)C[C@H]21"]
["82857043","CC(=O)c1ccc(C=Cc2ccc(SC(C)(C)C)cc2)cc1"]
["273742","Cc1cc(SC(C)(C)C)cc2c(Cl)c(C(=N)O)cnc12"]
["102902025","CC(C)(C)[CH+]C1=C=C(C(C)(C)C)[Si]12C([CH+]C(C)(C)C)=C=C2C(C)(C)C"]
["54481542","[CH2+]C1([CH2-])C[CH+]CC([CH2+])([CH2-])[N-]1"]
["186260398","CCCCON1C(C)(C)C[CH+]CC1(C)C"]
["22747029","CN(C)CC1(N)CC1"]
["179914193","C1CC23CC[N+]24CCC134"]
["184999661","CC1(C)C[CH+]CC1"]
["174056685","[N-]=C1[CH+]C=CC1.[N-]=C1[CH+]C=CC1.[W]"]
["101366430","C[C@]1(N)C[C@H]([18F])C1"]
["168291583","[CH2]C1([CH2+])CCCNC1"]
["74617942","NC1(CO)CN(C(=O)O)C1"]
["186276212","[CH2+]C1(C)CCCC(C)(C)[N-]1.[Li+]"]
["73794545","[CH2+]C1([CH2-])CC(C)=NO1"]
["61963019","NC12C[N-]CC[N-]CC(N)(C[N-]CC[N-]C1)C[N-]CC[N-]C2.[Cu]"]
["170464139","[BH3-]N[BH2-]N[BH2-]N"]
["199381593","N[BH2-]OC(=O)C(Cl)Cl"]
["199373247","[BH3-]N[BH2-]NCC"]
["199373245","[BH3-]N[BH2-][N+](CC)(CC)CC"]
["199373243","[BH3-]N[BH2-]N(C)C"]
["199373249","[BH3-]N[BH2-][N+](C)(C)C"]
["170463943","[BH3-]NN.[Na+]"]
["103020724","[BH3-]NN"]
["78427094","NC(N)NBr"]
["78111594","NNC(P)NN"]
["33903978","NCCC(CN)(CN)CCN"]
["193031312","COC(=O)C(C)P(=O)(OC)OC.COC(=O)C(N)P(=O)(OC)OC"]
["47105204","S1p2sp3sp1sp3s2"]
["174695072","CC(=O)C1=CNCS1"]
["185363805","S=C([S-])N=c1[nH][nH]c(=NC(=S)[S-])s1"]
["178194650","O=C(O)C1(N=C(O)C2=CNCS2)CC1"]
["185753152","O=C([O-])N=C=NC(=O)[O-]"]
["194397268","C.C=NC(C)=NC"]
["188320625","O=NB(O)N=O"]
["76962176","O=C([O-])N=NC(=O)[O-].[Sr+2]"]
["58784195","s1p2sp3p1sp23"]
["79957636","S1P2SP1S2"]
["67814207","O=NC(C(=O)O)=C1NC(=C(N=O)C(=O)O)NC(=C(N=O)C(=O)O)N1"]
["187062782","[2H]C([2H])=NO"]
["174062560","CCCCN/C(N)=C/C12/C=C(/N=CO)CN(C)/C(S)=C/C(C1)C1C3CCC4(CCOC(N)=CC34/C=C3\\CN(C4=CN4OSC)C(=O)N3N)C3(CCOC13/C=C1/CN(C(C=NC)=CN)C(O)=N1)C2"]
["48388400","CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(O)=N[C@]12C"]
["184717957","COc1ccc([C@@H]2COC(c3ncn4c3C/C(=C/N)N(N)c3cc(OC)ccc3-4)=N2)cc1"]
["CNP0597140.1","C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H](CCO)c2cc[nH]c(=N)c2C2=CCC4=C2[C@H](Cc2c[nH]c(=[NH2+])cc2C4)[C@]1(C)O3"]
["169874269","C=C/C(=C\\c1c(C(N)=O)nn(CC(=O)N2CC(F)CC2C(O)=Nc2c[nH]ccc2=O)c1C)c1ccnnc1"]
["46413198","CCCCCN1C(S)=NC(c2cccc(OC)c2)C(c2nc(-c3ccc(SC)cc3)no2)=C1C"]
["176364069","CN=C/C(=C(/C)N)c1cc2c(cn1)CN(c1c(F)c(OC)cc(OC)c1F)C(=O)N2Cc1ccccn1"]
["83219844","C/C1=C/CCC(C)C(C(C)C/C(C)=C/CCCCCNC(=N)N)OC(=O)C(C)C(OC(=O)CC(=O)O)/C=C\\C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)CC(O)CC(O)C(C)C1O)CC(O)C2O"]
["MCULE-6036373015","Cc1nn(CCC(=O)N2CCN(CCNc3cccc4c3C(=O)N(C3CCC(O)=NC3=O)C4=O)CC2)c(C)c1C"]
["67032274","C/C(=C\\CCCCCNC(=N)N)CC(C)C1OC(=O)C(C)C(OC(=O)CC(=O)O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)CC(O)CC(O)C(C)C(O)/C(C)=C/CCC1C)CC(O)C2O"]
["148706362","COc1cc2c(cc1CNC[C@H](O)c1cc(O)cc3c1OCC(O)=N3)CCN2C(=O)CCN1CCC(OC(O)=Nc2ccccc2-c2ccccc2)CC1"]
["170003918","C=CCn1c(=O)c2cnc(Nc3ccc(NCCNC4CCN(C5CN(c6ccc7c(c6)C(=O)N(C6CCC(O)=NC6=O)C7=O)C5)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2"]
["180366153","CCOCC1=CC=C(Br)CC1C1C#CC2=C(C1)OC1C2C=CC2C=CCCC21"]
["131099063","CCOCCON=C(O)N1CCCCC1c1ccc(C)o1"]
["8427179","CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OCc1ccc(Cl)cc1"]
["29163481","CCOC(=O)C1CCCc2c1c1c(OC)ccc(Cl)c1n2CCF"]
["81090631","CCOC1CCC2C(Cc3cc(Br)c(OC)c(OC)c3)CNCC2C1=O"]
["49920303","CCOCc1cc(Br)cs1"]
["81334818","COC1=CC(=O)C2=C(OC3C(OC)CCCC3C2=O)C1=O"]
["7943097","COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1Br"]
["7700825","COc1cccc(N=C(S)N(Cc2ccco2)C[C@@H]2CC=CCC2)c1OC"]
["140319460","CCOCCCCN=C(O)C1CC1c1cc(F)ccc1F"]
["164958451","CCOCCCNCc1ccc(OC)c(Br)c1.Cl"]
["112890799","CCOc1c(Br)cc(CNCCC2CCCCO2)cc1Br"]
["192398142","O=c1[nH]c2c([N+](=O)[O-])cccc2nc1-c1cccc(I)c1F.O=c1[nH]c2cccc([N+](=O)[O-])c2nc1-c1cccc(I)c1F.O=c1[nH]c2cccc3c2nc1-c1cccc2c(=O)n([nH]c12)CCCCCN3"]
["124210719","Cc1ccccc1C1CCCN1C(=O)CCc1nc2cccc(C)c2[nH]1"]
["152819231","CC[C@@H](C)Oc1c(OC)cc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-]"]
["154861068","O=c1ccc(N2CCCCC2CN=c2ccc3ncc[nH]c-3n2)nn1Cc1cccc(F)c1"]
["187616272","COc1ccc(-n2c([C@H]3CCCN3C(=O)O)nc3c(C)cc([N+](=O)[O-])cc3c2=O)cc1F"]
["146910749","O=C(O)C1CCCCN1C(=O)c1cc([N+](=O)[O-])c2nsnc2c1"]
["171713875","Cn1cc(-c2cccnc2Oc2ccc(F)cc2)c2cc[nH]c2c1=O"]
["12902897","O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1"]
["155367357","C[C@@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1"]
["77349762","O=c1oc2ccccc2c2c1NC(c1ccc([N+](=O)[O-])cc1)C1c3cccc4cccc(c34)C21"]
["57620296","CN=C(O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)c1n[nH]cc1CNc1ccc2nccnc2c1"]
["152793119","Cc1cc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1"]
["100316711","CC1=CC=CN(C)C1=C1C(C2=Nc3cc(=c4ccc5c(c4)N=C(C)N=5)ccc3=N2)=CC=CN1C.CC1=CC=CN(C)C1=C1C(C2=Nc3cc(=c4ccc5c(c4)N=C(C)N=5)ccc3=N2)=CC=CN1C.CC1=CC=C[NH+](C)C1=C1C(C2=[NH+]c3cc(=c4ccc5c(c4)[NH+]=C(C)[NH+]=5)ccc3=[NH+]2)=CC=C[NH+]1C"]
["80122116","Cc1cc2c(cc1S(=O)(=O)N1CCCCC1C)=NC(=O)C(=O)N=2"]
["176695719","C#CCOCCCCCCCCOc1ccc(C2=Nc3c/c(=C4/N=c5ccc(N6CCN(C)CC6)cc5=N4)ccc3=N2)cc1"]
["195642172","Cn1cnnc1-c1ccc2c(c1)OC(C)(C)c1nc(Nc3cnc4c(c3)N3C(=O)CCC35C[C@H]5O4)ncc1-2"]
["187282128","CC[C@H](C)[C@H](N=C(O)OC)N=C(O)N1CCC[C@H]1C1=Nc2c/c(=c3/ccc4c/c(=C5\\C=NC([C@@H]6CCCN6C(=O)[C@@H](N=C(O)OC)[C@@H](C)CC)=N5)ccc4c3)ccc2=N1"]
["73724817","CC1=CC2=CC=C[NH+](C)C2=C(O)C1=O"]
["MCULE-6927953493","CCCC(N=C(O)Cc1ccc2nc(O)c(C)cc2c1)C(O)=Nc1ccc(I)cc1F"]
["181473986","Nc1cccc(C2=Nc3cc(=c4ccc5c(c4)N=CN=5)ccc3=N2)c1"]
["65446054","COc1ccc(C(O)=NC(C)C)cc1N=C(O)C(C)N=C(O)C1CCN(CC(=O)Nc2ccc(C(=O)NC3CCCCC3C)cc2C)CC1"]
["150660395","C/N=C/CCCn1cc(-c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)cn1"]
["167161426","COC(O)=N[C@H](C(=O)N1CCC[C@H]1C1=N/C(=c2/ccc3c/c(=c4\\ccc5c(c4)N=C([C@@H]4CCCN4C(=O)[C@@H](N=C(O)OC)C4CCCC4)N=5)ccc3c2)C=N1)C1CCCC1"]
["MCULE-1581818303","CCCC(N=C(O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(O)=Nc1cc(C(F)(F)F)ccc1Cl"]
["173319650","[B+]=C1C=C(Cc2cccc(-n3nc4ccc(=S)cc-4[nH]3)c2O)C(O)=C(N=Nc2ccc([S-])cc2N)C1"]
["54345999","CCc1cccc2c1N=C(O)C21C2C(=O)N(c3cc(Cl)ccc3C)C(=O)C2C2CCCN21"]
["175996990","CN=C(C)c1cc(-n2ccc(OCc3ccc(Br)s3)cc2=O)ccc1N"]
["93549345","N=c1cc(N)nc(SCc2cccc(N)c2C(=O)O)[nH]1"]
["176829506","Nc1ccc2c(c1)nc1c3cccc4c(O)c(N)cc(c(=O)n21)c43"]
["67483754","Nc1cc(N=C(O)CCCN2C(=O)CCC2=O)ccc1F"]
["121841789","CC(=O)N1CCCN(C(=O)CCc2c[nH]c3c(C)cccc23)c2ccccc21"]
["170434700","Cn1nc(C2CCC(O)=NC2=O)c2cccc(N3CC4CCN(c5ncc(Cl)c(=Nc6ccc7c(c6)c6c(c(=O)n7C)OCC(F)(F)C(C7CC7)N6)[nH]5)CC4C3)c21"]
["MCULE-9101378308","O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)C1c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2"]
["30295453","CCn1nc(-c2cccc(-c3ccc(CC(O)=NCC(C)N4CCOCC4)cc3)c2)cc(N=C(O)N=c2c(Cl)c[nH]cc2Cl)c1=O"]
["75417077","CCc1cc(CN=C(O)CCC(O)=NNS(=O)(=O)c2ccc(S(=O)(=O)NN=C(O)CCC(O)=NCc3cc(CC)cc(-n4nc5ccccc5n4)c3O)cc2)c(O)c(-n2nc3ccccc3n2)c1"]
["9534676","CCc1cccc2c(C(=O)[C@H](OC(=O)Cn3nc(O)c4ccccc4c3=O)c3ccccc3)c[nH]c12"]
["CNP0490279.1","[O-]C1CC(O)C2C(C1)O[C@H](C1CC=C(O)C(O)C1)[C@H](O)[C@H]2C1[C+](O)CC(O)C2C1O[C@H](C1CC=C(O)C(O)C1)[C@H](O)[C@H]2C1C(O)CC([O-])C2C[C@@H](O)[C@@H](C3CC[C+](O)C(O)C3)OC21"]
["109155360","Cc1ccc([C@@]23O[C@H]4[C@@H](O)[C@H]5C[C@H]4[C@H]2[C@H]5C(=O)N3c2ccccc2C)cc1"]
["27344051","Cc1cccc([C@@H](CCOc2ccc(F)cc2)C2CCCCC2)c1OCC1CC(O)CC(=O)O1"]
["76802896","OCC1=CCC2CC3OC3C12"]
["195061536","OC1CCC(C2OC3CC([OH2+])CC(O)C3CC2OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)CC1O"]
["171247400","CC(C)=CCN=C(O)Cc1ccc2c(c1)CC=C1OCC(CN=C(O)CC3CC3)CC12"]
["98066680","CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@@H]2/C=C/[C@@H]2O[C@H](CC(O)C(C)(C)C)C[C@H](O)[C@H]2O)CC=C1C"]
["47804287","OC[C@@H]1O[C@H](CC(O)=NCC2CC2)C[C@H]2c3cc(N=C(O)C4CCC4)ccc3O[C@@H]12"]
["159229467","O[C@H]1C[C@@H]2O[C@@H]([C@@H]3CC[C@H](O)[C@@H](O)C3)[C@@H](O)C[C@H]2[C@@H](O)C1"]
["151215123","CC[C@]12O[C@@H]3[C@H](O)[C@H]4C[C@H]3[C@@H]1[C@@H]4C(=O)N2c1ccccc1C"]
["160603704","OC(=NC1CCC2CCCC2C1)N1CCOc2cc(O)ccc2C1"]
["108831581","O=C1[C@@H]2C[C@@H](CN2C2CCCCC2)N=C(O)C[C@@H]2O[C@H](CN=C(O)[C@@H]3CN1CCN3S(=O)(=O)c1cccc(F)c1)[C@@H](O)[C@H]2O"]
["33782708","C/C(=C\\C(C)C)[C@H]1O[14C@@]2([14CH2][14C@@H]3[14CH2][14C@@H]([14CH2]/[14CH]=C(\\C)C[C@@H](C)/C=[14CH]/[14CH]=C4\\CO[14CH]5[14C@H](O)[14C](C)=[14CH][14C@@H]([14C](=O)O3)[C@]45O)O2)[14CH2][14C@H](O)[14C@@H]1C"]
["133597060","Cc1nnc(C(C)OC(=O)c2sc(NC(=O)C3CC3)cc2C)o1"]
["77291617","CC1=NC(=O)C2Sc3nc(C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)cc(-c4cccs4)c3C2=N1"]
["128026840","O=C(CCc1nnc(C2CCCC2)o1)OCc1cnc2ccccc2c1"]
["19170219","CC(C)c1c(C(=O)N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cnn1-c1nccc(-c2ccco2)n1"]
["107827199","N[C@H](c1nnc(C2CCCC2)o1)c1ccc(O)cc1O"]
["186284761","C/C=C(\\C)C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)C(C3C(C)(C)[C@@]31OC(=O)C(C)CC)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=CC21"]
["173100809","CO/N=C1\\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)OC(/C(C)=C/C(C)C)[C@H]1C"]
["32947842","CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@H]([C@@H]1O)[C@@]42O)O[C@]1(C3)C[C@H](OP(=O)(O)O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1"]
["49162583","CC1=CC2C(=O)OC3CC(C/C=C(/C)CC(C)/C=C\\C=C4\\COC(C1O)C42O)OC1(C3)CC(O)C(C)C(/C(C)=C/C(C)C)O1"]
["188524813","CO/N=C1\\CC2(CC3CC(C/C=C(/C)CC(C)/C=C\\C=C4\\COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)OC(/C(C)=C/C(C)C)C1C"]
["195010729","C=C1C(O)=NC(C)C(O)=NC(CCCc2ccc(O)cc2)C(O)=NC(C(=O)O)C(C)C(O)=NC(CCCc2ccc(O)cc2)C(O)=NC(C=CC(C)=CC(C)C(Cc2ccccc2)OC)C(C)C(O)=NC(C(=O)O)CCC(=O)N1C"]
["173820923","[B][C@]12CC[C@H](O)[C@]([B+])(CO)C1CC[C@]1([B+])C2CC=C2C3C[C@@]([B+])([S-])[C@@H](OC([O-])/C(C)=C\\C)[C@H](SOC(C)[O-])[C@]3(C[O-])[C@H](O)C[C@]21[B+]"]
["154246709","CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O"]
["194950771","CC1(C)C[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O"]
["33991610","CCN(CC)[C@](C)(CO[C@H]1[C@H](n2nnc(=N)[nH]2)CC23COC[C@@]1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C)C(C)C"]
["33849591","C/C(=C\\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@@]12C)C(=O)O"]
["194897728","C[C@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](C[C@@H]6[C@@H]([C@H](CC[C@@H](N)O)c7cnc[nH]7)N=C(O)[C@@H]6CO)[C@@H](O)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1"]
["171396976","C/C(=C\\[C@@H](O)C[C@@H](C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(=O)O"]
["76311664","CCC(C)c1ccc(C2C(O)(C(O)CO)C3(O)C(c4ccc(C(C)CC)cc4)C(O)C23O)cc1"]
["69685438","CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5C(=O)CC43C)C2C1O"]
["151539749","CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)[C@H](O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C"]
["61316841","CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@@]4(C)[C@@H](OC[C@](C)(N)C(C)(C)C)C(n4ncnc4-c4ccc(CN)cc4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O"]
["161385590","B#SO[C@H]1C=C2C=C3CC[C@@]4(C)[C@@H](CC[C@@H]4O)[C@@]34CC[C@]2(C[C@@H]1N=[N+]=[N-])O4"]
["171723203","[2H]C1=c2cc3c4n(c([2H])c3cc2C2=[N+]1[B-](F)(F)[N+]1=C([2H])c3c([2H])c([2H])c([2H])c([2H])c3C1=C2)[B-](F)(F)n1c([2H])c2c([2H])c([2H])c([2H])c([2H])c2c1C=4"]
["189897588","[2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4sc4ccccc45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H]"]
["171469871","[2H]c1c([2H])c([2H])c2c(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4)n3)c([2H])c([2H])c([2H])c2c1[2H]"]
["172545428","[2H]c1c(-c2ccccc2)c([2H])c2c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6c([2H])c([2H])c7c(-c8ccccc8)c([2H])c([2H])c([2H])c7c6[2H])c5c([2H])c([2H])c43)c([2H])c([2H])c2c1[2H]"]
["147852338","O=C1C(c2ccccc2)=C(c2ccccc2)C2=[N+]1[B-](F)([F+])N1C(=C2)C=Cc2ccccc21"]
["171723197","CCCc1c2ccc(C)cc2c2n1[B-](F)(F)n1c(CCC)c3cc4c(cc3c1=C2)=C(CC)[N+]1=C4C=C2c3cc(C)ccc3C(CC)=[N+]2[B-]1(F)F"]
["198161962","[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c(-c4c(-c5ccccc5)ccc5ccccc45)c([2H])c([2H])c([2H])c3c([2H])c2c1[2H]"]
["171430864","[2H]c1c([2H])c(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)n2)c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H]"]
["193190795","[2H]c1c([2H])c([2H])c2c(-c3ccc(Nc4cc(OC)cc(OC)c4)cc3)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(-c3ccc(Nc4ccc(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])cc4)cc3)c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(-c3cccc(Nc4cccc(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])c4)c3)c([2H])c([2H])c2c1[2H]"]
["198685956","[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c3c1C2c1c([2H])c([2H])c([2H])c2c1c1c-3c([2H])c([2H])c([2H])c1n2-c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c1"]
["199862571","[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([Si](c3c([2H])c([2H])c([2H])c([2H])c3[2H])(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c(-c4cc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c([2H])c([2H])c65)n4)c3[2H])c2[2H])c([2H])c1[2H]"]
["66602618","Cc1cccc(N(c2cccc(C)c2)c2cccc3c4n(cc23)[B-](F)(F)[N+]2=Cc3ccccc3C2=C4)c1"]
["173660032","C#CC1CC=C(C2CCC3C=CC(C4CCC(C(C)[N+](=C)CC(CC)CCCCI=C)CC4)CC3=N2)C=C1C"]
["131934576","OCCC(N=C(O)Nc1ccc(Cl)cn1)C1CCCCC1"]
["75786095","CC(C)S(=O)(=O)N[C@H]1CC[C@H](C2NN=C(c3ccccc3C#N)C2F)CC1"]
["165423386","CCCCC(CC)CN=C(O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1"]
["149082840","C#COC1CCC2C(=CCC3C2CCC2C(C(C)CCCC(C)C)CCC23)C1"]
["79848012","CCCCC(C)CC/C=C(/OC1CCCCO1)[C@H]1[C@@H]2CC(CCO)=C[C@@H]2C[C@@H]1OC1CCCCO1"]
["153306663","O=S(=O)(N[C@@H]1[C@@H]2CC[C@H]1Cc1c(F)cccc1C2)c1ccc(Cl)s1"]
["178483884","CCC(CCC1Oc2cc(O)c3cc2C1c1cc(c(O)cc1O)C(C1CCC(C2CCCCC2)CC1)C1CC(=C(O)C=C1O)C(C1CCC(C2CCCCC2)CC1)c1cc(c(O)cc1O)C3C1CCC(C2CCCCC2)CC1)C1CCCCC1"]
["46866681","CC(OC(=O)OC/C=C\\COC(=O)C(Cc1ccccc1)N=C(O)C1CCC(C(C)C)CC1)O[N+](=O)[O-]"]
["61079143","Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C(C)C)cc3)C2c2ccc(C(C)C)cc2)nn1"]
["170204693","CCS(=O)(=O)CCNCC1CN2C=NC(C(C)C)=CC2=N1"]
["194862929","C=C(C=CC=C(COCCO)C1CCC2(C1O)C1C(=C(C)C=O)C(C=CC1CCO)CC2(O)CCNC)C1CC=C(C)C(O)NC(CCNC)(CCOC)Cc2cccc(c2)C1"]
["191947059","C=C.C=C.O=S(=O)([O-])CN1C(=Cc2[te]c3sccc3[n+]2CS(=O)(=O)[O-])[Te]c2sccc21"]
["162437896","Cc1sccc1CN1CCC(C(=O)O)C1"]
["196492477","C[N+]1=NN=NC1=C1C=CN(CS(=O)(=O)[O-])C=C1"]
["104216119","Cc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2ccc(-c3nccs3)cc2)cc1"]
["115500604","Cc1ccsc1C1/C(=C(/O)c2cccc(Cl)c2)C(=O)C(=O)N1c1cccc(Cl)c1"]
["109255630","O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1"]
["49693483","Cc1[sH+]c2sc3ccccc3c2[n+]1CCCS(=O)(=O)[O-]"]
["30101970","CCCC1Cc2ccsc2C(C)N1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl"]
["120749651","Cc1ccsc1CCC(=O)N1CC(N)CC1(C)C"]
["165657064","CC(c1nccs1)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1"]
["47159693","Cc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)C(c2ccc(C)o2)C=3C#N)o1"]
["151715480","Cc1ccsc1C(=O)N1C[C@@H]2C[C@H](C)O[C@H]2C1"]
["177503240","C=CCOC(c1c(C)c(N)c(Oc2c(C)c(N)c(N)c(N)c2C)c(N)c1C)c1c(N)c(C)c(Oc2c(N)c(C)c(N)c(N)c2N)c(N)c1N"]
["61363876","C=CCC(N)c1ccc(O)cc1C"]
["78585710","C=CCOCC(CN(N)CC(COCC=C)OCC=C)OCC=C"]
["109814903","C=CCO[C@H](C)C(O)=N[C@@H](c1ccc(CC(C)C)cc1)c1cccs1"]
["9241615","C=CCO[C@@H](C)C(O)=Nc1ccc(Cl)c([N+](=O)[O-])c1"]
["13724433","C=CCO[C@@H](C)C(O)=NCCCNS(C)(=O)=O"]
["22005261","C=CCO[C@H](C)C(O)=NCc1[nH+]cc(C)c(OC)c1C"]
["108909350","C=CCOCC(F)(F)[C@H](F)C(F)(F)F"]
["73528890","C=CCSc1cc(C)c(N)c(N)c1SCC=C"]
["53993156","Cc1c(OCC(C)O)ccc([C@H](C)N)c1C"]
["78292210","C=COC(=O)CO[Si](=O)O"]
["4391465","C=CCO[C@H](C)C(O)=NC1[C@H](C)CCC[C@H]1C"]
["173025856","[CH+]=C1CC=[C+]c2c1c(=[CH-])c1c(c2=[CH-])C([CH2-])(CCC([CH2+])(C)CC([CH2-])C)CC=C1[CH2+]"]
["33061130","Cc1cnc2c(C(C)OCC3(c4ccc(F)cc4)CCNCC3)ccc(C(F)(F)F)c2c1"]
["89411700","CC(CCC1(N)CC1)c1cccc(F)c1"]
["177614738","C[C@H](OC[C@](C)(N)C=O)[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1"]
["175160909","CCC(C)CC(C)(C)C1=CC2=CC[C-]2C=C1.[Y]"]
["181352490","CC(N=[N+]=[N-])C1=CCC(F)(COCC(C)(N)Cc2ccccc2)C=C1"]
["85676484","CCNC(C)c1cc(F)c(C)cc1OC(C)CC(C)C"]
["191785433","CC(F)(c1ccc2c(c1)CC[C@H]1[C@H](CC(=O)CO)CC[C@@]21S(=O)(=O)c1ccc(F)cc1)C(F)(F)F"]
["114768985","CC(C)C(CNCCCCC(F)(F)F)c1ccccc1"]
["74984292","CCC[C@]1(O)CC[C@]2(CCN(c3ccc(O[C@H](C)C(F)(F)F)cc3)C2=O)CC1"]
["54313348","C[C@H](Cc1ccccc1)N1C(=O)c2c(C(F)(F)F)csc2N/C1=C1/N=CC=CC1=O"]
["173816975","CNCC(C)(C)CNCC(C)(C)CNC(C)C"]
["179729284","CC(C)(CC[N-]C(=O)C(C)(C)CCC(C)(C)C(=O)O[NH+]1C(=O)CCC1=O)SSC(C)(C)C[NH+]=C(O)C(C)(C)CCC(C)(C)C(=O)ON1C(=O)CCC1=O"]
["63137438","CC(=O)CC1C(O)CC(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)(C(=O)O)OC1C(O)C(O)CO"]
["175315387","CC(C)(C)OC(=O)COc1cccc2c1C(=O)N(C1(C)CCC(O)=NC1=O)C2=O"]
["74985551","Cc1c(C2(N)C(=O)CCC2=O)ccc(C(=O)ON2C(=O)CCC2=O)c1O"]
["172922721","CC1(C)OCC(C[C@H]2OC3[C@@H](O[C@H]4CC[C@H](CCOC(=O)C(C)(C)C)O[C@@H]4[C@@H]3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1"]
["196005704","CC1(C)C#CC(C)(C)CS(=O)(=NC(=O)CCC(=O)CCCOCCOCCN)C1.CC1(C)C#CC(C)(C)CS(=O)(=NC(=O)CCC(=O)ON2C(=O)CCC2=O)C1"]
["187505676","O=C(CCOC(COCCCN1C(=O)C=CC1=O)COCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O"]
["83070664","O=C(CC1CC=CCCCC1)ON1C(=O)CCC1=O"]
["169955241","C/C(=N\\N=C(O)CC(C)(C)S)c1ccc(OCCC(C(=O)O)N2C(=O)CCC2=O)cc1O"]
["169925754","Cc1c(F)cc(Cc2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1P"]
["119332304","CC(C)(CCCCCCCCCCC(C)(C)C(=O)ON1C(=O)CCC1=O)C(=O)O"]
["174639304","COC(=O)ON1C(=O)CCC1=O.c1ccc2c(c1)Cc1ccccc1-2"]
["99855929","CO[Si](CC(C)CC(C)(C)C)(OO)O[Si](O)(CC(C)CC(C)(C)C)O[Si]1(CC(C)CC(C)(C)C)O[Si](C)(CC(C)CC(C)(C)C)O[Si](CC(C)CC(C)(C)C)(O[Si](C)CC(C)CC(C)(C)C)O[Si](O)(CC(C)CC(C)(C)C)O1"]
["109321479","CCOC(=O)c1nc(C[C@@H](C)CC(C)(C)C)n(C)n1"]
["51910414","COc1ccccc1N=C(O)C(Cl)C1=Nc2ccc(F)cc2C(=O)[N+]12CC2(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C"]
["21177861","Cc1ccc(-c2nc3cc(C)ccn3c2N=C(O)C[C@@H](C)CC(C)(C)C)cc1"]
["99546507","CO[C@@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]([C@H](C[C@@](C)(O[Si](C)C)C(=O)C(=O)C(=O)O)OC)C(C)(C)C"]
["180829933","CC(CCOC(=O)c1ccc(-c2nc(C3=CCCC=C3O)nc(-c3ccccc3O)n2)cc1)CC(C)(C)C"]
["161427608","COc1cccc(OC)c1C(=O)c1c(O)ccc(CC(C)CC(C)(C)C)c1C(=O)c1c(OC)cccc1OC"]
["177110162","CO[Si](CC(C)CCNCC1CCCCC1)(OC)OC"]
["161957905","CCO[Si](CC(C)CC(C)(C)C)(OCC)OCC.CCO[Si](CCCCCC(C)C)(OCC)OCC"]
["32210248","CC1=C(C(=O)OCCCc2cccnc2)C(CC(C)CC(C)(C)C)C(C(=O)OCCCc2cccnc2)=C(C)N1"]
["60130116","COC(=O)c1c(C)c(C(=O)C(C)N(C(=O)CC(C)CC(C)(C)C)C(C)C)c(C)n1C"]
["191075251","Cn1ccc(=Nc2ncnc(-c3ccc(CCC(=O)c4nc(C(C)(C)C)no4)c(CC(F)F)c3)n2)[nH]1"]
["170531406","ClC(Cl)Cl.Cl[Si-2]12(c3ccccc3)(Oc3cccc[n+]3O1)ON1C=CC=CC1=[O+]2"]
["60934454","O=C(OC(C(O)=NC1CC1)c1ccccc1)c1c(Cl)ccc(Cl)c1Cl"]
["69623457","C[n+]1ccn(C(=C2C=CC=C2)c2ccccc2)c1"]
["111199573","Cc1sccc1C(C)(C)CC(C)Cl"]
["5146835","COc1cccc2sc(NC(=O)c3nc(C)n(-c4ccccc4)n3)nc12"]
["165036607","O=c1/c(=C\\c2cc([N+](=O)[O-])ccc2O)sc2n1C(c1ccccc1)C1=C(N=2)c2ccccc2CC1"]
["191849646","Cc1cn(C)[n+](C)c1-c1ccccc1.[Cl-]"]
["57403473","N=C(O)c1cn(C(Cl)c2ccccc2)cn1"]
["34239998","C[C@H](Cl)C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1"]
["28424383","COC(=O)C(=C(C)NCc1ccccc1)C(NC(=O)O)C(C)C"]
["55413473","C/C=C\\[P+](C)(c1ccccc1)c1ccccc1"]
["195444298","C[I+]Oc1ccc(C(C2=CC3=CC(c4ccccc4)CO[C-]3C=C2)(C(F)(F)F)C(F)(F)F)cc1C[C-](C)c1ccccc1"]
["161787746","C1=c2/cc/c([nH]2)=C/C2(c3ccccc3)N(c3ccccc3)N(c3ccccc3)C(c3ccccc3)(N2c2ccccc2)N(c2ccccc2)C2(c3ccccc3)N=C(/N=C3/N=NC/1=N3)NN2c1ccccc1"]
["54083546","O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(N=C(O)c2ccco2)cc1"]
["151231639","C[C@@]1(c2ccccc2)N=c2ccccc2=C2N=C(c3ccccc3)NN21"]
["48444004","CC1=C2C(c3ccc(Cl)cc3)=C[C@](C)(c3ccc(Cl)cc3)N=C2N(c2ccccc2)N1"]
["6561674","NS(=O)(=O)Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1"]
["84318703","OCCCN=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1"]
["126949741","Brc1ccc(C2(NCc3ncn(-c4ccccc4)n3)CC2)cc1"]
["32301283","COc1nc(P(=O)(O)O)n(-c2ccccc2)n1"]
["65649915","O=C(O)N1CCC(c2ccccc2)(c2nnn(Cc3ccccc3)n2)CC1"]
["82206135","COC1(c2ccccc2)NCC(c2nnnn2C)CC1NCc1ccccc1"]
["132365300","COC(=O)Cn1cc(NC(=O)c2ncn(-c3ccccc3)n2)cn1"]
["MCULE-6681132559","CCN(CC)CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C)c2C)[nH]1"]
["166830010","CC(C)(C)OC1CC(OCC2CC(OCCOC3CN(C(C)(C)C)C3CC(C)(C)OCC#Cc3cccc(N4CCC(OC5CC(OC(C)(C)C)C5)CC4)c3)C2)C1"]
["151320296","Cn1cccc1C(=O)N1CC2(C[C@@H](OCC3CCCC3)CS2)C1"]
["171866649","COCCN1CCN(c2ccc(C(=N)O)c([C@H](CC(C)(C)C)C(=O)N3CC[C@H]4OCC(=O)[C@H]43)c2)CC1"]
["128253355","CCN1CCC2CCC(C1)N2CC#Cc1cccc(Cl)c1"]
["64266959","CCC1CCCC(Oc2cccc(C(=N)N)n2)C1"]
["149913051","CCC(C)(OCC1CO1)c1ccc(C(C)(C)c2ccc(OCC3CN(c4ccc(Cc5ccc(N6CC(COc7ccc(C(C)(C)c8ccc(OCC9CO9)cc8)cc7)OC6=O)cc5)cc4)C(=O)O3)cc2)cc1"]
["191501522","Cc1ccsc1-c1ccc([C@H](C)N=C(O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N=C(O)CCCCCCCCCC(O)=NC2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)C(C)(C)C)cc1"]
["MCULE-6711036154","CCOC1CCCN(C(=O)c2cccc(C)c2-c2c(C)cc(OC)cc2C)C1"]
["133630036","COCC1CCN(C(=O)C(=O)Nc2cccc(N3CCC(C)CC3)c2)CC1"]
["148384923","O=C(O)CCCN=C(O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1"]
["3176038","CCS(=O)(=O)N1CCN(c2cccc(OCc3cccc(F)c3)c2)CC1"]
["150568990","CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C(=O)N1CCN(C2CC2)CC1"]
["191867885","CCCSC(CC=O)C(CC=O)SCCN.NCCCC(C=O)CCC(C=O)SCCN.NCCSC(C=O)CC(CC=O)SCCN"]
["MCULE-3469959726","CCCOC(=O)c1ccc(NC(=O)COc2cn(CCCCCO)c(CSC(C)C)cc2=O)cc1"]
["153614692","CCCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1ccc(O)c(OC)c1"]
["170401757","CCCC[C@@H](C=O)CS(C)(=O)=O"]
["89460974","CCCSc1ccc(/C(=C/C(=O)O)CCC)cc1"]
["113009393","CCCC(CCN)CN=C(O)c1ccc(O)c(O)c1"]
["112589705","CCCC1(CN=C(O)C(C)CCCN)CC1"]
["98309074","CCCC(C=O)CCCCCC(O)=NC"]
["91887497","CCCC(C)CC(CCCCN)C(=O)O"]
["26530778","CCCCC(CC)CN(CC(CC)CCCC)C(=O)Cc1ccccc1"]
["29479048","CC(N=C(O)c1ccc(C(=O)N2CCCC(CCN)C2)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1"]
["173924519","CCc1ccc(OC2CN(C(=O)CCCCN)C2)c(C(=O)O)c1O[B]O"]
["150260640","CSC(C)(C)C1CCCCC(C(C)(C)[CH+]C(C)(C)C(C)(C)C(C)(C)C2CCCCC(C(C)(C)C)CCC2)CCC1"]
["111418125","CC(C)(C)C1CCCN(Cc2cnc(N)cn2)CC1"]
["137252611","CCOC(=O)N1CCCN(C(=O)C(C)(C)C2CCCC2)CC1"]
["158826839","CC(C)(C)[C@H]1CCCN(CC2(O)CCS(=O)(=O)CC2)CC1"]
["54671691","CC(C)(C)N1CCN(C2CCCC2N)CC1"]
["159340233","CC(C)(C)N[C@@H]1CC[C@@H]2CCC[C@H]21"]
["45259129","CCN(CCC(=O)O)C1CCCC(C(C)(C)C)CC1"]
["44855390","CN=C(NN)C1CCC(C(C)(C)C)CC1"]
["47148130","CC(Cl)C(O)=NC(=O)N1CCCC(C(C)(C)C)CC1"]
["48797794","CC(C)(C)C1CCCN(c2ccc(C(N)=S)cc2)CC1"]
["58563290","CC(C)(C)C1CCCC(NCc2cccc(F)c2)CC1"]
["MCULE-9046538887","CSc1nc2c(C3CCC3)c(C3CCCCC3)nn2c(O)c1C#N"]
["91421796","C1C[Si+]C(C2CC[Si+]C2)(C2CC[Si-]C2)CCC[Si+]C([Si]2(C3CCC[Si-]C(C4CC[Si+]C4)(C4CC[Si-]C4)CCC[Si-]3)CCCC[Si](=[Si-]3([Si+]4CCCC[Si](C5CCC[Si+]C(C6CC[Si+]C6)(C6CC[Si-]C6)CCC[Si+]5)(C5CCC[Si-]C(C6CC[Si+]C6)(C6CC[Si-]C6)CCC[Si-]5)CCCC4)CCCC3)CCCC2)C1"]
["173868389","C1CC[Si](=[Si-]2([Si+]3CCCCC3)CCCCC2)CC1"]
["91358763","C1CC[Si](=[Si-]2([Si+]3CCCCC[Si](C4CCCC[Si+]4)(C4CCCC[Si-]4)CCCCC3)CCCCC2)CCCCC[Si](C2CCCC[Si+]2)(C2CCCC[Si-]2)CC1"]
["83061130","C1CC[Si-]CC(C2CCC[Si+]C([Si]3(C4CCC[Si+]C(C5CC[Si+]CC(C6CC[Si+]C6)(C6CC[Si-]C6)CC[Si+]C5)(C5CC[Si-]CC(C6CC[Si+]C6)(C6CC[Si-]C6)CC[Si-]C5)CCC[Si-]4)CCCC[Si]([Si]4([Si+]5CCCC[Si-](C6CCC[Si-]CCCC[Si-]6)CCCC5)CCCC4)CCCC3)CCC[Si+]2)CC[Si+]C1"]
["193895818","CC(C)(N=NC(C)(C)C(N)=[NH2+])C(=N)N.CC(C)(N=[NH+]C(C)(C)C1=[NH+]CC[NH2+]1)C1=[NH+]CC[NH2+]1"]
["26248061","Cc1cc2c(cc1C(O)=NC(=N)N)S(=O)(=O)COC2"]
["23294134","CC(C)(C)C(=N)N"]
["76987381","CC(C)(C)C1CC(O)=NC(NC(=N)Nc2ccc(Cl)cc2)N1"]
["178364906","Cc1ccc([C@H](N=C(N)C([NH3+])=Nc2csc(S(N)(=O)=O)c2O)C(C)(C)C)s1"]
["75313578","C=C(S/C=C(\\N)c1sc(N=C(O)N2CC[C@@H]3C[C@@]32C(=N)O)nc1C)C(C)(C)C"]
["82810371","CCC1CC1(N=C(O)C1CC(=O)CN1C(=O)C(N)C(C)(C)C)C(=O)OC"]
["12020548","CC(C)(N=C(O)[C@H]1C[C@@H]1c1ccco1)c1ccc(F)cc1Cl"]
["173038550","CC(C)(N=NC(C)(C)C(=[NH2+])[NH3+])C(=N)N.Cl"]
["146157632","Cc1ccc(S(=O)(=O)N2CCCC(C(O)=NC3CCCC3CN)C2)s1"]
["CSSS14880526273","Cc1cc(C(O)=NC(C)(Cc2ccccn2)C(O)=NC2CCCC3CN(C)CC32)c(C)s1"]
["76361762","CC1=CN=C2C(C(=O)N(C)C(=O)N2C)C1=NC1=[NH+]CCS1"]
["176187567","[CH-]=C[C+]1C(=[C-]C(=C)Br)C(=C)C2CC12.[V]"]
["59212639","C/C=C/C=N/N=C(O)C1CC1c1ccccc1"]
["102915615","C=C(Br)[C-]=CC=C1C(C)=CC(C)=CC1C"]
["180162759","C=C(CC(C=O)C(=O)OCC)CC1CC(CC(=C)OC/C(C)=C/C=C\\C)C(=C)C1=C"]
["SN0169658-04","C=C1C(=O)OC2/C=C(\\C)CC(O)/C=C(\\C)C(OC(=O)/C(C)=C/C)CC12"]
["14395503","C=C(Br)CN=C(O)[C@H]1C[C@@H]1c1ccccc1Cl"]
["88873682","C=C(C)C1NCCc2c(Br)cccc21"]
["81029665","C=C1COC2C(N3CCC(N=CO)C3)C(F)CC3C(=O)C4C(O)=NOC4N1C32"]
["108503715","O=C(O)C1=NO[C@H]2CS(=O)(=O)C[C@@H]12"]
["179204960","C1C2=C1C1C2CC2CC21"]
["187133567","CC(C)=C(CCC1=NOC(C2CC(O)C2)C1)N=CO"]
["98734127","C=C(C)C1C=C2C(C)C2C1"]
["189103545","CC=C=C(C)C(C)N(C=O)C(/N=C(\\C=C/C)C(/C)=C(F)/C=C\\C=C\\N=O)=C(C)\\C(C)=N/C"]
["179499034","C=C(/C=C\\C=C/C)CNCc1ccc(-c2ccc(N3C[C@H](CN=C(C)O)OC3=O)cc2F)cc1"]
["161965442","C=C(/C=C\\C)/C(C)=N/N(C)[C@H](CC)CN(C)CC"]
["171514215","C=C(/C=C\\C)COC(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC)C(=O)OC(C)(C)C"]
["117700231","CCC(C)NC(=NC)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N"]
["198833668","CC(C)n1[nH]cnc1=NC(O)=NCc1cc(F)c(C#N)c(F)c1"]
["176050714","C/C=C\\C=C(/C=C(\\C)CC1CCC(O)CC1)CNC1(C(/C=C\\C)=C(/C)F)CCCC1"]
["187659965","CN=CN(C)C(O)=NCC(C)C"]
["119225733","C/C(C=Cc1c(C)oc(C)c1C)=C(/F)C=O"]
["144337741","CC(C)[C@@H](CO)NC(O)=Nc1ccc(OC(F)F)c(F)c1"]
["173835827","C=NCC=CCC(=NC)C(C)/C=C/N(CC)N=C(C)C"]
["157898526","C/C=C/C(O)=N[C@@H](C)CF"]
["180503650","Ic1sc(I)c2c1nc(I)n2CI=c1sc2c(sc3c(I)[c-](I)sc32)c1I"]
["30411086","CCc1nc2c(=N)[nH]c(C)c(C)c2n1CCCS(C)(=O)=O"]
["143304205","COc1ccc2c(c1)CN(C(O)=NCCc1sc(C)nc1C)CC2"]
["111963618","CCC(CO)(CO)NC(=O)c1sc2[nH]cnc(=O)c2c1C"]
["119324126","COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(CO[PH](=O)O)cccc4n3)c(C)c12"]
["194825233","CCS(=O)(=O)n1nc(C)c(I)c1C"]
["187670249","Cc1c(-c2[nH]c3sc(C4CCN(CCS(C)(=O)=O)CC4)nc3c2C(C)C)cn(C)c(=O)c1C"]
["186892096","Cc1cn2c(I)nc(I)c2c(C)n1"]
["28099591","CCCCS(=O)(=O)CCCn1c(C)nc2c(=N)[nH]c(C)c(C)c21"]
["118945413","CCN=C(NCc1nc(C)c(C)s1)N1CCC(O)CC1"]
["200253478","Cc1cc(-c2c(S(N)(=O)=O)sc(CC(C)C)c2C)ccc1Cn1ccnc1C"]
["169887849","Cc1c(I)sc2c1sc1cc(I)sc12"]
["69770193","CC1=C2C=CC(N(C)C)=C[C]2[Se+]=C2C=C(N(C)C)C=CC21.F[P-](F)(F)(F)(F)F"]
["73877969","CN(C)C1=CC(=C2C=C(NC(C)(C)C)C=C=C2Cl)[C](Cl)C=C1"]
["144680811","Cc1ccc(CCCCN)c(N(C)C)c1"]
["183875160","CN(C)c1ccc(C2=C(N=[N+]=[N-])C(c3ccccc3)SC(c3ccccc3)=C2)cc1"]
["144887468","CN1N/C(=C2\\C=CC(F)=C(F)C2=O)C=C1N"]
["178962354","CCC12C=CC1(CC)N1C=CC(N(C)C)=CC1=C1C(=[F+])C(C#N)=C(F)C=C12"]
["185002414","CN(C)S(=O)(=O)c1ccc([C@@H]2C(C(=O)O)C2(C)C)cc1"]
["162894001","Cc1ccc(N(C)C)c2c1OC[C@@H]2N"]
["181676921","C/C=C1/C=CC=CC1N=[N+]=[N-]"]
["81719887","CC1=CC(=O)C(=C2Nc3c(F)cccc3N2C2CC2)C=C1"]
["174326072","CC1=CCCC=C1C1C=CN=CC1"]
["51875406","CN(C)c1ccc2c(c1)OC1=CC(N(C)C)C=CC1=C2"]
["178398737","C[I]CCC1C(C)C2C(C)(C1C1(C)CC1C)C1C([IH])C(C)C21I"]
["178842727","CCCCC1(C)CC(CCC)C(C)C1C"]
["178118908","C=C1CC[C@@H](C)[C@@H]2C(C)C(C)CC2(C)C2=C=C12"]
["176410465","CCNC(=N)N(C)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1"]
["179635972","CC1C(C)C(C)C(C)(C)C([SH2+])C1C"]
["80007054","CN1C(C)(C)CC(CCO/C=C/C(=O)O)CC1(C)C"]
["69640066","COCOC1CC(C)(C2CCCC2)C(=O)C(C)C23CCC(OC)C2C1(C)C(C)CC3"]
["93040874","CSCCCC1CC(C)(C)CCC1CN"]
["180682850","C[C@@H]1C[C@@](C)(I)[C@H](O)[C@@H](C)O1"]
["195297978","CC1(F)CC1CCCO"]
["173003522","CON1C(C)(C)CC(O)C(OP(OC2C(O)CC(C)(C)N(OC)C2(C)C)OC2C(O)CC(C)(C)N(OC)C2(C)C)C1(C)C"]
["184999167","CCCC1CC(C)[C@](C)(CC)C1"]
["150502550","Cc1c(I)c([I+]c2cc(I)c(I)cc2I)cc(I)c1[I+]c1cc(I)c2c(I)ccc(I)c2c1I"]
["MCULE-4013088094","Cc1ccc(C)c(-n2[nH]c(=N)c(I)c2C(F)(F)F)c1"]
["162798251","CC(=O)C(Br)c1ccc(I)c(I)c1"]
["2975107","CC1(C)COC(=O)[C@@H]1OC(=O)c1cc(F)ccc1I"]
["MCULE-4374617986","Cc1c(I)cccc1C(=O)OC1CCN(C(=O)OC(C)C)CC1"]
["162464623","Cc1cc([C@H]2CCCN2)ccc1I"]
["MCULE-6628951574","Cc1ccc(Cn2nc(CN(C)C)c(I)c2C(F)(F)F)cc1C"]
["179897991","CN1CCOC(CN2CCN(c3cc(-c4ccc(I)c(Cl)c4)[nH]n3)CC2)C1"]
["146499328","Cc1ccc(I)c(C(O)=NC2C3CCCC2CC(N)C3)c1.Cl"]
["114931794","CCCN(CC(=N)S)C(=O)c1cc(Cl)ccc1I"]
["162814875","CSc1cc2c(C)c(I)ccc2s1"]
["183796218","C[Si](C)(C)c1ccc(I)c(I)c1"]
["97593664","O=C1C(=C2Cc3c4c(c5c(c3C2)CCC5)CCC4)Cc2c3c(c4c(c21)CC1C2C(=C5Cc6c7c(c8c(c6C5C41)CCC8)CCC7)Cc1c4c(c5c(c12)CCC5)CCC4)CCC3"]
["182056384","CCc1c(OC)c(OC)c(OC)c(CC)c1C1OC(=O)CC(=O)O1"]
["78185741","CCOC(=O)C1CCC(=C2CC3C(C=CC(O[SiH](C)C)(C4CCCCC4)C(C)(C)C)CCC3C2=O)CC1"]
["164124498","CCC(F)(F)C(=O)c1ccn(S(=O)(=O)NC(O)=Nc2cc3c(c4c2CCC4)CCC3=O)c1"]
["84105657","COC(=O)c1c(O)cc(O)c2c1CCC2"]
["90731574","COc1c(O)c2c(c3c1C(O)C3O)CCC2"]
["80544216","CN1C(=O)CC(CSc2ncnc3sc4c(c23)CCC4)N(C)C1=O"]
["80566126","CCSC1N=C(O)C2C(NC3=C(C(=O)CCC3)C2c2cccc(F)c2)N1"]
["13730420","Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccc(F)cc1F)O2)CCC3"]
["6332416","O=C1N=CN=C2c3c(nc(C4CCCCC4)c4c3CCC4)O[C@H]12"]
["178636878","CCSC1=C(CC)C(=O)C2=C(CC(C)S2)C1=O"]
["154208214","O=C1c2cccc(OC(=O)C3[C@@H]4CCCC[C@@H]34)c2C(=O)c2c(OC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)cccc21"]
["172907140","CCCC1(C)CC(C)(C(C)(C)CC2(C)C(=O)OC(=O)C(C)(C(C)(C)CC3(C)CC(C)(CC)C(=O)OC3=O)C(C)(C)CC2(C)C)C(=O)OC1=O"]
["97427964","CC[Si](CC)(CC)O[C@@H]1CC(=O)[C@H]2O[C@H]2[C@]12CCC(=O)O2"]
["187665412","CCCC1(CC)O[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)COC1=O"]
["96631678","CCCC12OC(=O)CC1CC(=O)O2"]
["83583545","CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)CC(C)O3)C1c1ccc(C(C)(C)C)cc1"]
["65704860","CCC[C@]1(C)O[C@@]2(C)CC[C@@H]1CC2=O"]
["33812656","CCCC[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@H]2O1"]
["171673160","CCCCN1COC(=O)[C@]2(C(=O)OC(C)(C)C)CCCN12"]
["77843380","CCCN1C(=O)C2C(NC3NN=C(C(C)(C)C)CN32)N(C)C1=O"]
["179924721","CCC1(O[SiH2]C)C(=O)OCC[C@@H]1C(C)(C)C"]
["173378995","C=O.CCCC(F)(F)F.CC[C@]1(N=CO)[C@@H]2CC[C@H]1Cc1ccc(/C=C/CN3CC4CC3CO4)cc1C2"]
["176604889","CCC(CCCOc1cc2ncnc(N=c3[nH][nH]c(C)c3C)c2cc1S(=O)C(C)(C)C)CCNC"]
["21079209","Cc1[nH]c2cccc[n+]2c1C(=O)N=NS(=O)(=O)c1cccc2c1NSN2"]
["74527482","Cc1[nH]c2ccccc2c1C=NN(C)C(=O)O"]
["127437327","Cc1oc(C(O)=NC(C)CCO)cc1S(=O)(=O)N(C)C"]
["25591575","CCN(CC)C(=O)n1ccc(S(=O)(=O)c2c(C)cccc2OC)n1"]
["133950001","COC(=O)c1ccccc1S(=O)(=O)NCC(C)(C)N.Cl"]
["95878639","CC(CCS(C)=O)NS(=O)(=O)c1c(N)cccc1F"]
["158783700","Cc1cc(=NC(=O)CN2CCOC(C)(C)[C@@H]2C)[nH]o1"]
["172661813","CC(C)(C)NNC(=O)c1ccc2c3[nH]c-3cc1-2"]
["126750700","COC(=O)c1c(C)cccc1S(=O)(=O)NC(C)C(c1ccccc1)N(C)C"]
["55095914","COc1ccc2sc(N(CC3CCCO3)C(=O)c3ccccc3S(C)(=O)=O)nc2c1"]
["7087786","Cc1cc(=NC(=O)[C@H](C)SC[C@H](O)c2ccccc2)[nH]o1"]
["97046230","Cc1c/c(=N\\C(=O)c2ccccc2)cc(-c2ccccc2)o1"]
["192480794","Cc1nn(C)c2c1C(C)(C)C(C)(C)C(C)(C)C2(C)C.Cc1noc2c1C(C)(C)C(C)(C)C(C)(C)C2(C)C"]
["106873570","Cc1cc([C@@H](C)C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c(C)o1"]
["157206753","Cc1nn(C)c(C)c1S(=O)(=O)N=C(O)[C@@H]1C[C@H]2CC[C@H]1C2"]
["86531875","CCCNCCC(C)Cc1c(Cl)c(C)nn1C"]
["136804241","CCSc1cccc(CNCCc2c(C)nn(C)c2C)c1"]
["92508440","Cc1nn(C)c(C)c1CCC(NN)C1CCOCC1"]
["MCULE-8848771920","Cc1noc(C)c1-c1c(C(=O)N2CCSC2(C)C)ccc(F)c1F"]
["124468922","Cc1nn(C)c(C)c1C(=O)OCCC1CCCC1"]
["135045366","Cc1nn(C)c(Cl)c1CC(O)=NS(=O)(=O)C(C)C"]
["138082386","Cc1nn(C)c(C)c1CCCN=C(O)CCCc1nc(C(C)(C)C)no1"]
["167485194","Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCc1c(C)nn(C)c1C"]
["166191856","Cn1nnnc1SC1(c2ccccc2)OCCO1"]
["171773959","O=C1OC2C3CC45CC2(O1)C1(OC(=O)O1)C1(C3)OC(=O)OC41OC(=O)O5"]
["602698","COC1=CC(=O)[C@]2(C)O[C@@]23CC(C)OC13O"]
["31186165","CC12CCC(=O)C=C1CCC1C2=CCC2(C)C1CC[C@@]21COC(=O)O1"]
["160961736","O=S(=O)(c1cccc2c1OC(F)(F)O2)N1CC2C3C=CC(O3)C2C1"]
["176753341","CCC1C(O)=N[C@@]2([C@@H](O)C3C=CCC=C3)C(=O)O[C@@]12C"]
["2435699","S=C1O[C@]2(C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)[C@@]2(C[C@@H]3CC[C@H]4CC[C@H]2[C@@H]43)O1"]
["34638329","O=C1O[C@H](C2CCCCC2)O[C@]12C[C@@H](CO)C=C[C@H]2CO"]
["96743392","C/C=C(\\c1ccccc1)C1OC(=O)OC1(C)C"]
["158053223","C[C@@H]1C[C@]2(OC(=O)N=C2O)[C@@H]1C"]
["97906491","CC1(C)OC[C@]2(COC(=O)O2)C[C@H]1O"]
["70577214","C=CC1(CC2OC(=O)OC2(C)C)CC(CCC(C)(C)OCOC)C(C)(C)C(C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)C)C1=O"]
["174066615","CC1OC(=O)OC1(C)OCC(F)=CC(F)F"]
["174059656","[OH2+]c1ccc([OH+]c2csc3c2ccc2c3c[nH+]n2C2C=CC=C[OH+]2)cc1"]
["17640526","Cc1nn2c([nH+]cc3c(=O)n(CCN(C)C)ccc32)c1-c1ccc(Cl)cc1"]
["162987072","Fc1csc2c(C(F)F)c(Cl)ccc12"]
["181943803","[N-]=[N+]=NCCCCN(c1[nH]c2ccccc2c1Cl)[C@]1(C2C=Cc3ccccc32)CCN1C(=O)c1csc2ccccc12"]
["48120627","CC1=C(C(=O)O)C(c2csc3cc(N)ccc23)C(C(=O)O)=C(C)N1"]
["43100895","Cc1ccc(CNS(=O)(=O)N2CCCC(CN)C2)s1"]
["163136206","OCc1csc2c(I)c(C(F)(F)F)ccc12"]
["162654340","O=C(O)c1ccc2c(S)csc2c1I"]
["91278346","Cc1c(S)ccc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)sc12"]
["182584049","[N-]=[N+]=NS[N-]C1C=CC=C[OH+]1"]
["107820287","C1=Nc2ccccc2C1=C1NN=C([C@H]2CCCCN2)O1"]
["162707019","CCc1ccc2c(F)csc2c1S"]
["171632056","[C-]#[N+]c1cccc(-c2ccc(SOSc3ccc(-c4cccc([N+]#[C-])c4C)c([N+]#[C-])c3C)c(C)c2[N+]#[C-])c1C"]
["MCULE-9426906491","Cc1ccc(F)c(C(O)=Nc2c(-c3cccc(F)c3C)cc(F)c(F)c2F)c1"]
["48142743","[C-]#[N+]c1ccccc1COc1ccc(C(C)(C)C)cc1"]
["193840560","[C-]#[N+]c1c(-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)ccc(-c2c(C)cccc2C(F)(F)F)c1-n1c2ccc(-c3ccc(C)c(C)c3)cc2c2cc(-c3ccc(C)cc3C)ccc21"]
["47360879","[C-]#[N+]c1ccc(N(c2ccc(C)cc2)C(C)C)cc1"]
["188254572","CCOC(=O)c1ccc(-c2ccccc2O)c(C)c1"]
["MCULE-3459609240","COc1ccc(F)cc1C(O)=Nc1ccccc1-c1cc(C#N)ccc1C"]
["87220073","Cc1cccc(-c2ccc(CC(C)O)o2)c1Br"]
["MCULE-8515136868","Cc1cccnc1C(O)=Nc1ccc(-c2cccc(C)c2C)c(C)n1"]
["27628849","COc1ccccc1-c1nnn2c1CNCc1ccc(F)cc1-2"]
["MCULE-1432377066","Cc1ccc(-c2cccc(C)c2C)c(N=C(O)Cc2cccnc2)c1"]
["46537285","[C-]#[N+]c1ccc(C)cc1-c1cc(-c2cc(C)ccc2[N+]#[C-])cc(-c2cc(C)ccc2[N+]#[C-])c1"]
["160338873","OC(CC1(O)CCCC1)=NCC1(O)C2C3CC4C5C3CC2C5C41"]
["118183747","OC(CC1(O)CCCC1)=Nc1cn[nH]c1"]
["117753004","CCN=C(NCC1(O)CCCC1)NC(C)CCCN(CC)CC"]
["105675055","C[C@H]1CCC[C@](CN=C(O)NNc2ncccn2)(N(C)C)C1"]
["122020422","CCOCc1ccc(CN=C(O)CN(C)CC2(O)CCCC2)cc1"]
["124530445","Cc1ccc(C)c(C(=O)CCC(O)=NCC2(C)CCCO2)c1"]
["118085071","OC(CCCN=C(O)c1ccsc1)=NCC1(O)CCCC1"]
["112187743","O=C(O)c1ccccc1CC(O)=NCC1(C2CC2)CC1"]
["90934146","OC1(CCC2(O)CCCCCC2)CCCCCC1"]
["156983700","C[C@H]1OCC[C@@]1(O)CN=C(O)CC1CCCC1"]
["123316300","OC(=NCCc1ccc(Cl)cc1)NCC1COC2(CCOCC2)O1"]
["121334724","CN(CC1(O)CCCC1)C(=O)C1CCC(N=C(O)OC(C)(C)C)C1"]
["150302247","CCN1c2nc(nc3c2=[NH+]C(=[O+]C)N=3)P1O"]
["141792158","CCCN(C)C(O)=Nc1nc(C)c(C)s1"]
["20605769","CCCC(=O)N=c1nc2n([nH]1)[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=[NH+]2"]
["199983234","CCn1c2c3c(cc(CO)c(F)c3nc1=O)N=CN2"]
["160849667","CCn1cc(C(C)N=C(O)NC2CCC3CCCCC3C2)cn1"]
["120741745","CCOC(=O)N1CCn2c(C)nc(C(=O)O)c2C1"]
["151332155","CCN1C[C@H]2CN(C(=O)c3ccncc3F)CCC[C@@]2(C(=O)O)C1"]
["123784563","C=C(C)COCCN=C(O)Nc1c(C)nn(CC)c1C"]
["197518815","CCn1cncc1C(CN)C(=O)OC"]
["163265857","CCn1c(C(C)C#N)cc2ccc(O)cc21"]
["12442260","CC[C@H](C)N=C(O)N[C@H](c1ccccc1)c1nccn1C"]
["17771233","CCCc1nc2cc(Cl)ccn2c1C(O)=N[C@@H](CCC(=N)[O-])C(=O)O"]
["193809814","BrC1C=C2C=CC=C2O1.ClC1C=C2C=CC=C2S1.IC1C=C2C=CC=C2[Se]1"]
["75052797","FC1C=CC(=C2C=CC=C(Cl)[N]2)C(Cl)=C1"]
["184740665","C1=CC2=C3OCOC3OC2=C1"]
["182211247","CCCCCCCCCCCC=CC(N=[N+]=[N-])=C(C1C=C2C=CC=C2S1)C(CCC)(CCC)CCCCCC"]
["67319398","CCCC1C=C2C=CC=C2O1"]
["195426102","CC1=C[C@@H]2OC(F)(F)OC2=CC=C1"]
["175211618","ClC1C=C2C=COC(C3OCCO3)=C2C1Br"]
["75616673","CC1(Cl)C(Cl)Oc2ccc(I)cc2C1[O]"]
["181397260","CCCCCCCCC=CC(N=[N+]=[N-])=C(C(CCC)CCC)C1C=C2C=CC=C2O1"]
["53166899","O=C1C2=CC=C/C1=C/NC1CCCCC1N/C=C1/C=CC=C(OCCOCCOCCO2)C1=O"]
["181822962","ClC1C=C(Br)C=CO1"]
["173512395","O=C(/C=C/C1C=C2C=CC=C2O1)COc1cccc(C(F)(F)F)c1"]
["170202582","O=C(O)CC(C(=O)O[C@@H]1CC[C@H]2[C@@H]1CC[C@H]2OC(=O)CC(C(=O)O)/C(=C/C(=O)O[C@H]1CC[C@H]2[C@@H]1CC[C@H]2O)C(=O)O)C(CC(=O)O[C@@H]1CC[C@H]2[C@@H]1CC[C@H]2O)C(=O)O"]
["182655909","CN(C)CCOC(O)=NC(CC(=O)O)CC(=O)O"]
["170012544","CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(O)=NCCO)OC)N(C)C(=O)CN=C(O)[C@@H]1[C@H]2CC[C@H](C2)N1C"]
["CNP0126135.1","C=C1C(=O)O[C@@H]2/C=C(\\C)CCC=C(C(=O)O)C[C@H](OC(=O)CC(C)C)[C@@H]12"]
["67910734","O=C(O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O"]
["61423022","CC1CCCC(OC(=O)C(CC(=O)N(C)C)C(C)C)C1"]
["87151353","CC1CC(=O)N(C(CC(=O)O)C(=O)O)C(=O)C1"]
["69038836","COC(=O)CC(N=C(O)c1ccoc1C)C1CC1"]
["52950220","CC(C)CC1CCC2C3CCC4C5COC[C@]4(C[C@@H](OC(=O)O)[C@@H]5OCC(N)C4CCCC4)C3=CC(=O)C2[C@@H]1C(=O)O"]
["42787748","O=C(C=CC1(C(=O)O)CC1)OC1CC1"]
["162934892","CC(C)=CC(=O)OC1CCOC1=O"]
["91639623","O=C(O)c1ccc(C(=O)OC2CC(=O)N(C3CCCCC3)C2=O)cc1"]
["179943897","N=C1NCc2cc3c(cc2CN2C=CNC12)NCC=C3"]
["156260344","C=C1CCC=CCN1"]
["159359022","CN1CCO[C@@H](c2c[nH][nH]c2=N)CC1"]
["76518187","CN(C)C(=O)Nc1ccc2c(c1)CC1=C2N=C(O)C2NC=CN12"]
["180576952","CC1=Cc2ccc3c(c2[N-]C1)NCC=C3"]
["185761157","CC(N=C(O)C1=C(NCc2ccc(-c3ccc4ncnc(N5CC(CO)C5)c4c3)s2)NCC=C1)c1ccc(F)c(F)c1"]
["146101380","CC1CCc2sc(C(=O)Nc3ccc(=N)[nH]c3)cc2C1"]
["168404189","N=C1c2ccc(C(=O)N3CCCC(CO)C3)cc2NCc2sccc21"]
["182987708","N=C(O)c1c(-c2cccc(F)c2)nn2c1NCC=C2"]
["91689079","Cn1cc2c3c(c[nH]c3c1=O)CNc1ccc(S(C)(=O)=O)cc1-2"]
["142975723","O=C(N=c1ncn(C2CCCCC2)[nH]1)c1cc2c(s1)CCOC2"]
["81897822","CCc1ccc2c(c1)NC(=N)N(C1Cc3ccc(OC)cc3C1)C2"]
["175111221","[B+]OC[C@H]1[C@H]([S-])C[B+][C@@H]1CCCC1=[C-]CCS1"]
["179214397","C=Ic1cccc2c1OC(COC)CN2C"]
["135893248","COCCc1nc(C)c(C(C)OC(=O)c2sc(C3CCCC3)nc2C)s1"]
["76004850","N=C(CCCCCCC(=N)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O"]
["25428447","CCCC[C@H]1CCSC(=N)N1"]
["66226717","[2H]OC[C@@H]1[C@@H](CCCc2cc[c-]s2)[C@H](Cl)C[C@H]1C.[Y]"]
["174827695","O=C(O)c1ccc(CCC[C@H]2CC(F)C(Cl)C2COc2ccc3ccccc3c2)s1"]
["62360873","[B+]C1C(O)CC(N=[C-])C1COCc1cc[c-]o1.[Y]"]
["120378657","CCC(CC1CC1)N=C1NC(CCOC)CS1"]
["113481355","CCCc1nc(Cl)cc(N2CCCC(COC)C2)n1"]
["26129684","[C-]1=C2C=C[CH+]C=C2SCC1"]
["108651245","NCC[C@@H]1CCSc2c(Cl)cccc2C1"]
["62055614","CC1=C2OC(C)(C)O[C]2C(=Cc2c3c(c(C)c4c2SC(C)(C)S4)SC(C)(C)S3)C2=C1OC(C)(C)O2"]
["199626534","COc1cc(F)c(C=C2C(=O)OC(C)(C)OC2=O)c(F)c1"]
["199627788","CC1(C)OC(=O)C(=Cc2c(Cl)ccc(F)c2Cl)C(=O)O1"]
["100657953","CC1(C)Sc2cc3c(c(C=O)c2S1)SC(C)(C)S3"]
["97542986","Cc1ccc(/C=C2\\OC(C)(C)O/C(=C\\c3ccc(C)cc3)C2=O)cc1"]
["195714973","CC1=C(C(=O)C2=C(C)[C@@H](O)C[C@@H](C(C)C)C2)C(=O)OC(C)(C)O1"]
["91197284","CC1(C)OC2=C(O1)C(=O)CC1(CCCCC1)C2"]
["27262813","CC1(C)O/C(=C\\c2ccccc2)C(=O)/C(=C/c2ccccc2)O1"]
["199625799","COc1ccc(F)c(C=C2C(=O)OC(C)(C)OC2=O)c1Br"]
["199625753","CC1(C)OC(=O)C(=Cc2cccc(OCc3ccc(F)c(Cl)c3)c2)C(=O)O1"]
["199625256","COc1c(C)cc(O)c(C=C2C(=O)OC(C)(C)OC2=O)c1C"]
["176023261","C[C@@]1(C(O)=N[C@H]2CO[C@@H](C(O)=NS(C)(=O)=O)C2)CC(c2cc(F)cc(F)c2)=NO1"]
["179705603","CCCCCC[I-]CCNCC1[I-]C(C)C(C)NC1(C)C"]
["65239689","CCCCCCCC(Cc1ccc(C)cc1)NCC"]
["77048936","CCCCCC[B-](C1CC2CC(C1C)C2(C)C)C1CC2CC(C1C)C2(C)C"]
["24676848","CCCCCCCCSC1=NC(C)(C)CC(C)O1.I"]
["97462676","CCCCCCCCCCCCCCC/C(O)=C(\\CCCCCCCCCCCCCC)C(=O)O"]
["99568517","C/C=C/C([N+](C)(C)CCCCCCCCCCCC)[N+](C)(C)CCCCCCCCCCCC"]
["46104347","CCCCCCCC[N+](C)(C)C.[OH-]"]
["172580181","CCCCCCCCCCCC[N+](CO)(CCCCCCCCCCCC)CCCCCCCCCCCC"]
["80864553","CCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)C(=O)O"]
["167168288","CCCCCCC[C@@H]1O[C@@]1(C)C(=O)N(CC)CC"]
["82005941","CCCNC1COCC1C1=NC2C(O)=NC(=N)NC2=N1"]
["91437649","CCCCCCCCCCCCCCCCCC1N=C(O)ON1"]
["65450665","CC1=CC(=C(C)C2=C([O-])C(C(C)=C3C=C(C)[Te]C(C)=C3)=C2[O])C=C(C)[Se]1"]
["175018585","C=C(Cl)/C=C(\\C=C(/C)Cl)C(=O)c1cc(C)c2c(c1)oc(=O)n2C"]
["120459753","CC1=C/C(=C(\\N)N=O)C=C(Oc2ccc(Cl)c(Cl)c2)N1"]
["147799798","CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c([O-])c(C)c(O)c3[C@]2(C)C1=O.[Cu+2]"]
["42886767","CC1=CC(N([O-])[O-])=C=C[C+]1C.[Y]"]
["104158570","CC(=O)N1c2ccc(S(=O)(=O)Oc3cc(C)cc(C)c3)cc2C[C@@H]1C"]
["195339485","CC1=CC(=O)/C(=C(/C)ON)C(=O)O1"]
["99578472","[B+]=C1C=C(C)C(OCC(=O)[O-])C(C)=C1"]
["174772284","C=C(C)c1cccc(C)c1C(C)C(C)CC.CC.CCc1cccc(C)c1C"]
["91235765","Cc1cn(NS(C)(=O)=O)[s+]c1C.[O-][Cl+3]([O-])([O-])[O-]"]
["90852931","COC(=O)C1=C(OC(C)=O)C=CC2=CC(C)=NC(=O)C21"]
["179928756","COc1ccc(C(C)=C(O)C(=O)O)cc1[O-]"]
["149039980","OCc1ccc(C2=C(Br)C(=C3N=NNN3)N=C2Br)c(CO)c1CO"]
["90243664","Brc1ccccc1-c1cnn(CC2CNC2)c1"]
["174484326","Cc1ccc(-c2c(CN)c(C)nc3c(CO)cnn23)c(Cl)c1"]
["176028172","N#Cc1ccc(-c2cc(F)ccc2CO)c(O)c1Br"]
["151859362","CC1=C[C@@H]2NC3=NC(=S)N=NC3=C2C(C)=C1"]
["139178260","OCCCN(Cc1nnc(-c2cccc(Br)c2)o1)CC(F)(F)F"]
["198000549","Cc1ccc(-c2nc(C)c(C(=O)OCC3(C(=N)O)CC3)s2)c(Br)c1"]
["149769245","CSc1cc(N2CN=NN2)ccc1CC(=O)N1CCN(CCc2ccc3c(c2)COC3=O)CC1"]
["13317478","OC(=Nc1ccccc1)N=c1[nH]nc(-c2cccc(Br)c2)s1"]
["MCULE-6325567792","OCc1c(C2CC2)nn(Cc2ccccc2C2CC2)c1C(F)(F)F"]
["198707904","O=S(=O)(Cc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)n[nH]c3c2F)c1F)c1cc(Cl)ccc1CO"]
["76064276","O=C1N=C(O)c2ccc3c(Br)c4ccccc4c(Br)c3c21"]
["175973368","C=C(CSON1C2CON(C)CC21)NC1OSCCC1C(O)=NC(=C)OCC(C)C"]
["163393899","CN=C(O)C1CC2CN(CCC(C)C)CC1O2"]
["161066548","CC(C)CN=C(O)N1CCCC(C(=O)N2CC3(CCNCC3)[C@@H]3COC[C@@H]32)C1"]
["125884739","CCC(CN=C(O)N1CC(C)OCC1C)Oc1cccc(F)c1"]
["150751115","CC(C)COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N)cc3)cc2)C(=O)C2CCCCC2)c1"]
["168940027","C=C/C=C(\\C=C/CCNC(=C)N(CC/C=C\\C(F)=C/CC)C[C@H]1CCN(C)C1)OCC(C)C"]
["MCULE-6931195178","CSCCC(C(=O)Nc1ccc(N(C)C)cc1)N(CC(=O)OCC(C)C)S(=O)(=O)C1CC1"]
["139540591","CC(C)CN1CCOC(CN=C(O)C2CCCn3ccnc32)C1"]
["160032165","CC(N=C(O)C1COCCN1C)c1ccc(NC(O)=NC2CC2)cc1"]
["87750393","CC(C)COC(=O)N1CCNC(C)CC1"]
["101212958","CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](C)N)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O"]
["156595050","C[C@H](CN=C(O)N1CC[C@]2(O)CCCC[C@@H]2C1)Oc1ccc(Cl)cc1"]
["191035040","CC(C)C1C2CC3CC1CN(C3)C2.CC(C)C=C1C2CC3CC1CN(C3)C2.CC(C)CC1C2CC3CC1CN(C3)C2"]
["108220042","Cc1cccc(CN2CC(n3cc([C@@H](C)O)nn3)C2)c1"]
["55810848","CCC1CNC(CC(C)C)CN1C"]
["60245463","Cc1nccc(CN2CC(C)NCC2C(C)C)n1"]
["157940223","C[C@H]1C[C@H](Cl)CN1CC(F)F"]
["85200680","CCCNC1CCC(N2CC(C(C)C)C2)CC1"]
["26720031","CC(C)CC1CC(C)C(C)S1(=O)=O"]
["195659909","C=NC(C)C(C)C(C)CCC1CC1C(C)/C=C1\\CC1CC"]
["160957727","CC(NS(=O)(=O)C1C[C@@H]2CC[C@H]1C2)c1cnn(C)c1"]
["15268306","CC(C)C[C@@H]1N=C(O)N(Cc2ccc(F)c(Br)c2)C1=O"]
["88766016","CC(C)CC1NC(CC(C)C)N(C2CCOC2C)C1=O"]
["45901550","CC(C)CC1CN(c2ccc(Br)cc2F)CCN1"]
["191486699","CN(C)C1=C2C(=CSS2(=O)=O)N(C)C1=O.CN(C)C1=C2SS(=O)(=O)C=C2N(C)C1=O"]
["130763948","CN1CCC(N(C)CCN(C)CC(=O)N(C)Cc2ccc(Cl)s2)CC1"]
["101248718","O=C1CN=C(S)N1CCSc1ccccc1"]
["22680637","CN(C(=O)c1ccc(CN2C(=O)CN=C2O)cc1)C1CCS(=O)(=O)C1"]
["180154411","Cc1cccc(-n2cnc3c4c(sc3c2=O)=NCCC=4N(C)C)n1"]
["174485040","CC(C)Cn1c(=O)sn(C)c1=O"]
["49593644","CCOCCCN1C(=O)C(C#N)=C(C)/C(=C(/O)c2oc3c(C)c(C)ccc3c2C)C1=O"]
["105111298","CN1C(=O)Cc2cc(S(=O)(=O)N(C)CC(=N)O)ccc21"]
["144943225","CN1CCN(c2ccc(C(O)C(=O)O)cc2)C1=O"]
["52909485","CC1=C(C#N)C(=O)N(C)C(=O)/C1=C(\\O)C(C)Oc1ccc(F)cc1"]
["49908647","O=C1CN=C(O)N1CCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1"]
["170672995","CC(C)N1C(N(C)C)=C([Si](C)(C)C)S1(=O)=O"]
["75241710","C[n+]1cccc(N=[N+]=C2C=CC(=NN=c3cc[cH-][n+](C)c3)C=C2)c1"]
["184555524","CC1c2cc[n+](C)cc21"]
["66550338","CO/N=C(\\CC(=O)OC)c1ccc[n+](C)c1"]
["45337165","CC1=C(C(=O)OC(C)(C)C)C(c2ccc[n+](C)c2)C(C(=O)OC(C)(C)C)=C(C)[N-]1.I.I"]
["161635831","O=C1OCc2ccc(O)cc21.[N-]=[N+]=Nc1ccc(CO)c(C(O)=NN)c1"]
["179323152","Cc1nn(C)c(=NN=C2C=CC(=[N+]3CCCCC3)C=C2)n1C"]
["12983637","Cc1ccc(-c2csc(C(O)=Nc3ccccc3)c2-n2cccc2)cc1"]
["SN0237641","C[NH+](C)[C-]1C=CN(CC(=O)c2cccc([N+]([O])=O)c2)C=C1"]
["145524745","CCCCCC[N+](CCCCCC)=C1C=CC(=NN=c2ccn(CCCC)cc2)C=C1"]
["17940555","Cc1ccc(CC(O)=Nc2cnn(C(C)(C)C)c2)s1"]
["83220235","C[n+]1cccc(/C2=C3\\C=CC(=N3)/C(c3ccc[n+](C)c3)=C3\\C=CC(=N3)/C(c3ccc[n+](C)c3)=C3\\C=CC(=N3)/C(c3ccc[n+](C)c3)=C3\\C=CC2=N3)c1"]
["44987011","Cc1cc[n+](C)cc1C#N.[I-]"]
["179908380","C[I+]CC1CCC(COC2=CCC(C3CC[C@H]4C([NH-])CCC34)=C(C)[C-]2I)CC1"]
["149676955","CCOc1ccc(OCC2CCC(C3CCC(C=CCCF)CC3)CC2)c(F)c1F"]
["175332043","COc1c(F)cc(C(C)O)c(F)c1OCC1CC1"]
["161354092","CCc1cc(OCC2CC2)n[nH]1"]
["43922279","Nc1ccc(=NC2CC(O)C2)[nH]c1OCC1CC1"]
["10435831","O=C(NN=C(O)c1ccc(OCC2CC2)nc1)C(=O)N1CCCC1"]
["144309646","OC(Cc1ccc(F)cc1F)=NCc1ccccc1OCC1CC1"]
["74628110","CC1CCC(COc2ccc(/C=C3/SC(=O)N=C3O)cc2)CC1"]
["158306710","CCc1oc(C(=O)N2C[C@H](OC)C[C@H]2COC)cc1C"]
["172351684","CCCCOc1cc([C@@]23C=CCCC2N(C)CC3)ccc1OCC1CC1"]
["60149900","Nc1ccc(OCC2CC2)c2ccccc12"]
["65134646","C=CCCOOCc1ccc(OCC2CCC(C=Cc3ccc(C)cc3)CC2)cc1"]
["76195968","C1=CC=C[CH]CSCCSC=CC=CC=CCSCCSC=1.[CH]N.[CH]N"]
["25633733","C1=CCSSC=C1"]
["173170460","O=C1N=C(O)/C(=C\\C2CCC(OCCN3/C=C\\C=C/C=C\\SCC3)CC2)S1"]
["78693515","C1=CC=C[CH]CCCC=1"]
["172271538","[2H]C1C=CC=CS1"]
["173088853","C1=C/C=C/SSSSSSSCC=C1"]
["78207586","C1=CC=C[CH]CCC/C=C/CC=1"]
["170658849","CC1(C)/C=C\\C=C/C=C\\SC1"]
["170660413","C1=C\\C=C/C2(CC2)CS\\C=C/1"]
["176182461","C1=CCSC=C1.[Ti]"]
["73854934","C1=C[CH]NCSC=1"]
["176047578","C1=CCSC=C1.[Zn]"]
["174079816","[B+]CC1=CC(=[B+])CC([B+])=C1OC(=[OH+])C1C=CC=C=C1C(=[OH+])[OH+]CCS([O-])([O-])[O-]"]
["14844890","O=C(Oc1ccccc1)N1CCC(CNS(=O)(=O)c2cccs2)CC1"]
["MCULE-3452226286","CCN(CC)S(=O)(=O)c1ccc(CCN=C(O)C2CC(=O)N(CCOC)C2)cc1"]
["190462438","COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H](CC(=O)O[C@H]2CCO[C@H]3OC[C@H](N=[N+]=[N-])[C@H]32)Cc2ccccc2)cc1"]
["84700424","CC(C)N(CC(=N)O)S(=O)(=O)c1ccc(CC#N)cc1"]
["MCULE-4154773804","CC(=O)Oc1ccc(CC(N=C(O)CN(C(C)C)S(=O)(=O)c2ccc(F)cc2)C(=O)N2CCC(O)CC2)cc1"]
["69348395","COc1ccc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc5cc(OC)ccc5c4)[C@H](C)C3)ccc2c1"]
["146774307","CS(=O)(=O)c1ccc(OCCN2CCCC(C(=O)O)C2)cc1.Cl"]
["161946940","O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-])N(O)C[C@H]1CCN1.[Na+]"]
["8956647","COc1ccc(C[C@@H]2CCCN2C(O)=Nc2ccc3c(c2)OCCCO3)cc1"]
["134557404","CC1CN(C(O)=NCc2ccc(OCCN(C)C)cc2)CCS1"]
["110120834","COC(=O)CCOc1ccc(S(=O)(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@@H]3C)C2)cc1"]
["174038944","O=S(C1=C2Nn3cncc3C3CC(c4nccs4)NC(S1)C23)C1CCC1"]
["106672399","O=C(C1=COCC1)N1CCCC[C@H]1c1nccs1"]
["6174028","CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1OCC"]
["109679902","N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(O)=Nc3nccs3)C2)cc1"]
["108349711","O=S(=O)(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)C1CC1"]
["106713004","O=C(CO)N1CCC[C@@H](c2cncc(=Nc3ccccn3)[nH]2)C1"]
["167568553","COC(=O)C1=C([C@@H]2CCC[C@H](CO)C2)NC(c2nccs2)=NC1c1ccc(F)cc1Cl"]
["189860386","O=C(O)c1nn(-c2cnccn2)c2c1CCC1CCC21"]
["157216928","c1csc(N[C@@H]2C[C@H]3CC[C@H]2C3)n1"]
["74653788","O=S(=O)(O)C1CCCN(c2cncc3c[nH]c4nccc-4c23)C1"]
["92476914","NCC1(Cc2nccs2)CCOC1C1CC1"]
["132820589","CC(N=C(O)N1CCCC(c2nccs2)C1)C(=O)N1CCCCC1C"]
["196005396","CC1=CCCC=C1N(c1ccc2cc3c(cc2c1)oc1cc(C)c2oc4cc5cc(N(c6ccccc6C)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc5cc4c2c13)c1cccc2c1oc1c(C(C)(C)C)cccc12"]
["116209076","Cc1cc(C(=O)N2CCC(C)CC2)nc(Nc2ccccc2C(C)(C)C)n1"]
["7765060","Cc1ccccc1N(CC(=O)Oc1ccc2oc3ccccc3c2c1)S(C)(=O)=O"]
["87218909","CNC(c1ccccc1C(C)(C)C)c1cc(C)oc1C"]
["186697621","CC(C)c1c2oc3cc4cc(N(c5ccccc5)c5cc(-c6ccccc6)ccc5-c5ccccc5)ccc4cc3c2cc2oc3cc4cc(N(c5ccccc5)c5cc(-c6ccccc6)ccc5-c5ccccc5)ccc4cc3c12"]
["167592907","CCc1cc(-c2cccc(N(I)c3cccc4c3oc3c(CC)cccc34)c2C#N)cc2c1oc1c(N(I)c3ccccc3C(F)(F)F)cccc12"]
["170251406","CC1=C(c2cccc3oc4ccccc4c23)NC(c2ccc(-c3cc(-c4ccc5ccccc5c4)cc4oc5ccccc5c34)c3ccccc23)N=C(c2ccccc2)C1"]
["195385969","Cc1cc(C)c(N(c2ccc3c4c(sc3c2)=C2C=CC(c3ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc3)=CC2(C)C2C=CC=CC=42)C2(C)C=CC=CC2)c(C)c1"]
["186695835","Cc1cc(-c2ccccc2)ccc1N(c1ccc2cc3c(cc2c1)oc1c3ccc2c3cc4ccc(N(c5ccc(-c6ccccc6)cc5C)c5c(C)cccc5C)cc4cc3oc21)c1c(C)cccc1C"]
["78382357","Cc1ccc(N(c2ccc(C#N)cc2)c2cc(N(c3ccccc3)c3ccccc3)c3ccc4cc(C(C)(C)C)cc5ccc2c3c45)cc1"]
["174256608","c1ccc(-c2ccccc2N(c2ccc3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3c2)c2ccc3c(c2)sc2ccccc23)cc1"]
["173542181","CC(=O)CCN(c1ccccc1C)C1CCCCC1"]
["178725942","Cc1cc(I2C[I+]2)cc(C2(C(F)(F)F)CC(=c3ccc(=C(O)NN4CCN(CC(F)(F)F)C4=O)c(C)c3)[N-]O2)c1"]
["42223256","O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCCN(CC(F)(F)F)CC1"]
["190455134","Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NO[C@](C)(c3ccccc3)C2)C(C)C)on1"]
["54430862","CCOC(O)=NC(CNS(=O)(=O)c1ccc2c(c1)CCC2)CC(C)C"]
["200346083","C[C@H](c1cccc(C(F)F)c1F)N(c1cc(=O)n(C23CC(C(F)(F)F)(C2)C3)cc1C(=N)O)C1C2CN(C)CC21"]
["MCULE-7041349342","CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(I)cc1C"]
["68624548","COCCn1nc(O[C@@H]2C[C@H]3C(O)=N[C@]4(C(O)=NS(=O)(=O)C5CC5)C[C@H]4/C=C\\CC[C@@H](C)C[C@@H](C)[C@H](N=C(O)OC(C)(C)C(F)(F)F)C(=O)N3C2)c2ccccc2c1=O"]
["141390138","COC(O)=NC(C(=O)N=c1ccn(CC(F)(F)F)[nH]1)C(C)C"]
["24461301","CCOC(=O)C(Nc1cccc(C)c1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F"]
["42079166","Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCC(O)=Nc1cccc(C(F)(F)F)c1"]
["157442381","C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1cccc(C(O)=NCC(F)(F)F)c1"]
["135118361","Cc1cccc(C2CCCN2C(O)=NC2CCN(CC(F)(F)F)C2=O)n1"]
["79868375","CCC([SiH3])C(C(=O)O[Si]1(C(O[Si](C)(C)C)O[Si](C)(C)C)CCCCO1)=C([Si]1(C(O[Si](C)(C)C)O[Si](C)(C)C)CCCCO1)[Si]1(C(O[Si](C)(C)C)O[Si](C)(C)C)CCCCO1"]
["11480966","CCOC(=O)N1CCC(N=C(O)CCCN2CCOC2=O)CC1"]
["85961825","CCC(C)c1nc(N(C)C2CC2)sc1C=O"]
["MCULE-6172796180","O=C(c1ccc(-c2ccc(OC3CCCCO3)cc2)cc1)c1cccnc1"]
["48552638","CCOC(=O)C(CN1CCOCC1CC)(NC)C1CC1"]
["95160642","CCOC(=O)c1coc(N(C)C2CCCCCC2)n1"]
["CSSS15282219059","CCN(C1CCCOC1)C(c1ccc(S(=O)(=O)N(C)C)cc1)c1nnnn1CC1CC1"]
["17906271","CC[C@H](C)N=C(O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1"]
["188906473","CCOC(=O)c1sc2cnccc2c1N1CCOCC1"]
["42670200","CCOC(=O)C(CSc1nnnn1C)NC(C)C"]
["1168384","CCOC(=O)C1CCCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)C1"]
["163545251","CO[C@H](c1ncc(Cl)cn1)[C@H](C)S(=O)(=O)Nc1nnc([C@H]2CCCCO2)n1C1(C)CC1"]
["69833985","OC12C3=C4C5=C6C7=C8C9(F)c%10c%11c%12c%13c%14c%10C(F)(C3(F)C59F)C3(F)C%14(F)C5(F)C9C%10C%14C%15C%16C%17C%18=C(C%12(F)C%12(F)C%19OC%20C%21C(C%16C%18%19)C%16C%15C%15C%14C(C1C1C%15C%14C%16C%21C(C7C%20C%12(F)C8%11F)C6(F)C%14(F)C41F)C9C23F)C%13(F)C5(F)C%17%10"]
["81267897","CC(C)(C)OOC12C(=O)C3=C4C5C6C7C4C4C8C9C7C7C%10C6C6C%11C%10C%10C%12C%13C%14C%10C7C9C7C%14C9C%10C%13C%13C%14C%15C(C(=O)C%16C%15C%15C%13C%12C%11C%15C(C6C51)C%162)C1C(C%14%10)C2C9C7C8C5C2C1(OOC(C)(C)C)C(C(=O)Nc1ccc(Br)cc1)=C(O3)C45OOC(C)(C)C"]
["70278902","O=C(NCCN=C(O)CCC(CCC(O)=NCCNC(=O)c1ccc([Se]c2ccccc2)cc1)(CCC(O)=NCCNC(=O)[c-]1ccc(=[Se])cc1)N=C(O)c1ccc2c(c1)C1c3ccccc3C2C23C1C=C1C4CCC5C6CCC7C8CCC9C%10CCC2C2C%10C%10C9C8C8C7C6C6C5C4C4C1C3C2C1C4C6C8C%101)C1=C[CH+]C(=[Se])C=C1"]
["189804520","N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O.O=C(O)[C](O)[C@@H](O)C(=O)O"]
["81267697","CC(C)(C)OOC12C(=O)C3=C4C5C6C7C4C4C8C9C7C7C%10C6C6C%11C%10C%10C%12C%13C%14C%10C7C9C7C%14C9C%10C%13C%13C%14C%15C(C(=O)C%16C%15C%15C%13C%12C%11C%15C(C6C51)C%162)C1C(C%14%10)C2C9C7C8C5C2C1(Nc1ccc(Br)cc1)C(C(=O)Nc1ccc(Br)cc1)=C(O3)C45OOC(C)(C)C"]
["196517626","CCCSc1nc(N(C(=O)OC(C)(C)C)C2CC2c2ccc([I+]c3ccc(OC)cc3)c(F)c2)c2nnn([C@@H]3C[C@H](OC(=O)OC(C)(C)C)[C@H]4OC(C)(C)O[C@H]43)c2n1"]
["81267874","CC(C)(C)OOC12C(=O)C3=C4C5C6C7C4C4C8C9C7C7C%10C6C6C%11C%10C%10C%12C%13C%14C%10C7C9C7C%14C9C%10C%13C%13C%14C%15C(C(=O)C%16C%15C%15C%13C%12C%11C%15C(C6C51)C%162)C1C(C%14%10)C2C9C7C8C5C2C1(OOC(C)(C)C)C(C(=O)N1CCCC1)=C(O3)C45OOC(C)(C)C"]
["69686256","FC12C3=C4C5=C6C7(F)c8c9c%10c%11c%12c8C8(F)C(F)(C1=C1C%13C%14C%15C%16C%17C%18C%19C%20C%21=C(C%10(F)C%10(F)C%22C%21C%19C%19C%21C%23C(C%19%17)C%17C%16C%13C2(F)C%17(F)C4(F)C%23C5C(C%21%22)C%10(F)C69F)C%11(F)C2(F)C%20C(C%18%15)C4C%14C1(F)C8(F)C%12(F)C42F)C37F"]
["193082627","COP1(=O)CO[C@H]2O[C@@H]3[C@@H](Cc4c(OC(=O)OC(C)(C)C)nc(N=C(O)OC(C)(C)C)nc4N3C(=O)OC(C)(C)C)C(O)(O)[C@H]2O1"]
["33993271","OC12C3=C4C5=C6C7=C8C9(F)c%10c%11c%12c%13c%14c%10C(F)(C3(F)C59F)C3(F)C1(F)c1c5c9c%10c%15c%16c%17c%18c%15c%15c9c9c1c2c1c2c%19c%20c%21c(c7c7c(c%21c%18c%20c%15c29)OC=%17C(F)(C%12(F)C=%16C%13(F)C%10(F)C5(F)C%143F)C7(F)C8%11F)C6(F)C%19(F)C41F"]
["81343353","O=C1C2C3C(=O)C4C5C3C3C6C2C2C1C1C(=O)C7C8C1C1C2C2C6C6C3C3C5C5C9C3C3C6C6C2C1C1C8C2C8C1C6C3C1C9C3C(C18)C1C2C7C2(O)c6c(c(=Nc7ccccc7)c(=O)c6=Nc6ccc(Br)cc6)C6(O)C4C5C3C6C12"]
["70650212","FC12C3=C4C5C6C7C8C9C%10C%11C%12C8C6C6C8C%12C%12C%11C%11C%13C%10C%10C9C9C7C7C5C3(F)C3(F)c5c1c1c%14c%15c5C5(F)C%16(F)C(C%10C%10C%13C%13(F)C%11C%11C%12C%12C8C8(c%17c(ccc%18ccccc%17%18)OC468)C2(F)C1(F)C%12(F)C%11(F)C%14(F)C%13(F)C%15(F)C%10%16F)C9C7(F)C35F"]
["53674710","CN1C=c2c(c3c(c4c2=C2N=CC=C2CC=4CCBr)=NC2=C3CC(=O)C=C2)C1=O"]
["31400015","COc1ccccc1CCN=C(O)c1ccccc1C1CCN(CCN2C=COC(C3=CC=CC(=O)C3)=C2)CC1"]
["26750394","Cn1c(=O)cc(CCBr)c2ccccc21"]
["MCULE-2525907468","Cc1c(Cl)cccc1NC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCc2ccccc2)C1=O"]
["162305084","O=C1CC(C(=O)NCCBr)=CC=N1"]
["162142040","CCC1=C(CC)CC2=NC(=O)C=C(O)C2=C1"]
["173584948","C/C=C(C)\\C=C/C(C)=O.CC.CCSNc1ccc(C)c(-c2cn(C)c(=O)c3c2=NC(C)C=3)c1"]
["63936756","CC1=CC2=CC(=O)CC(=O)C2=CN1C"]
["21297793","CCOc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCBr)cc1"]
["163246552","CN1CCC2=CC(N)C(=O)N=C2CC1"]
["166512976","CC(c1cscn1)N1C(=O)CN(C)C1=O"]
["90577165","O=C1CC2=CC3C(=CC2=N1)ON=C3CCC1CCN(Cc2ccc(CF)cc2)CC1"]
["154677233","O=C1O[C@H](COS(=[P-])I)[C@@H](OS#P)C1Br"]
["163498058","CC1(C)OC2C(=O)C=C(COP)[C@H]2O1"]
["150893852","CCCCCC[C@@H]1C(=O)O[C@H](C)[C@H](N=C(O)c2cccc(N=CO)c2O)C(=O)O[C@H](C)[C@H]1OC(=O)CCC"]
["MCULE-6115259027","CCCOc1ccc(C2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN(CC)CC)cc1"]
["164057317","CS(=O)COn1on1N1CCCC1CO"]
["172181357","CC[C@H]1OC(=O)[C@@H]1CC(=O)OC"]
["164551674","CCOC(=O)C1OC(=O)C(O)=C1C(=O)c1ccc(C)cc1"]
["31428161","COC1C(O)[C@H](C2C=C(I)C(=O)N=C2O)O[C@@H]1COC(C)C"]
["55359793","CCCCCCOC1=C(O)[C@@H]([C@@H](O)CO)OC1=O"]
["57283272","COc1cc(C(=O)O[C@@H]2CCOC2=O)cc(OC)c1Br"]
["56257413","COC(=O)CC1C=CC(=O)O1"]
["78699225","CCCCOC[C@@H](OCCCC)C1OC(=O)C(OCCCC)[C@@H](OCCCC)[C@@H]1OCCCC"]
["59574903","FC(F)(F)C(F)(F)OCOC(F)(F)C(F)(F)SOOOOOOSC(F)(F)C(F)(F)OCOC(F)(F)C(F)(F)F"]
["171322512","OC(COCC1CO1)COC(F)(F)C(F)(F)C(F)(F)C(F)F"]
["26132296","C[Si](C)(C)OCC(F)(F)F"]
["13368963","Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1"]
["196353853","CN(Cc1nnn(C)n1)C1C(C(=O)O)=CC=C(C(F)(F)F)N1c1nnnn1C"]
["20117520","CN(C)CCn1nn[nH+]c1SCCOC(C)(C)C"]
["164124612","CCC(C)(C)OC(O)=NC(C)(CC)C(F)(F)F"]
["183251778","CC(=O)OC(F)(F)OCOC(F)(F)F"]
["25013474","O=[N+]([O-])c1cc(C(F)(F)Cl)cc2c1nc(C(F)(F)C(F)(F)C(F)(F)F)n2O"]
["63654872","O=C(Oc1ccccc1)C(SOO[O-])(C(F)(F)F)C(F)(F)F"]
["56719094","C=CCCOC(F)(F)C(F)(F)C(F)(F)C(C)(F)F"]
["172775483","CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["179302245","Cc1cc(OCC(C)C2=C(C(C)C)[N-]C(=c3ccc(=C4C=CC=C[N-]4)cc3)O2)ccc1CCC#[O+].[U]"]
["96287958","CCCOc1ccc(CNC(C)C)c(OCC(C)OC)c1"]
["153062895","COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1"]
["138367029","Cc1ccc(OCCCC(O)=NCC(C)C#N)cc1C"]
["65831504","COc1ccc(N=C(O)CCOc2ccc(C)c(C)c2)cc1OC(F)F"]
["MCULE-4337928935","CN=C(O)[C@H](C)N=C(O)COc1ccc2c(C)cc(=O)oc2c1"]
["197986852","Cc1cc(Oc2ccc(C(=O)N3C[C@@H](C)N(Cc4cn([C@@H]5CC6(CCCC6)Oc6ccc(F)cc65)nn4)[C@@H](C)C3)cn2)ccc1C(C)C"]
["117376404","Cc1ccc(C2=C(N3CCCC3)C(=O)N(c3ccc(OCC(C)C)cc3)C2=O)c(C)c1"]
["140875167","Cc1cccc(OCC(C)NC(O)=NCC(C)(O)C(C)C)c1"]
["114561619","CCCC(COc1ccc(C(C)CC)cc1)CS(=O)(=O)Cl"]
["MCULE-6392617000","CCCOc1ccc(N2C(=O)C(Nc3ccc(OCC(C)C)cc3)=C(c3ccc(F)c(C)c3)C2=O)cc1"]
["129046958","Cc1nc2cc(O)nn2c(C)c1CC(O)=NCCc1ccc(OCC(C)C)cc1"]
["103030893","[S-]C1=C([Se])SC(=C2SC3=C(OCCO3)S2)[Se]1"]
["109613498","Nc1cc2c(s1)OCC2"]
["97481942","C1=CC(C2=CSC(=C3SC4=C(OCCO4)S3)S2)C=C1"]
["75334263","CN(C)[C]1OCCO1"]
["79067511","F/C(=C\\C[C]1OCCO1)c1ccc(Cl)cc1"]
["42443602","CC1=C(C)OSCCO1"]
["101146537","C(C=C1SC2=C(OCCO2)S1)=C1SC2=C(OCCO2)S1"]
["97597753","C1CC[C@H]2SC3=C(SC(=C4SC5=C(OCCO5)S4)S3)S[C@H]2C1"]
["97184564","c1cnc2c(n1)SC(=C1SC3=C(OCCO3)S1)S2"]
["97595641","S=c1sc2c(s1)SC(=C1SC3=C(OCCO3)S1)S2"]
["112729544","c1ccc2c(c1)CNCCC2NC1CCOC1C1CC1"]
["6526947","O=C(/C=C/c1ccccc1)O[C@H]1CCOC1=O"]
["180213905","CC12C3C(C(CN=C=S)N=C=S)C3C1(C)C1(C)N3C=CC=CC3=CN1[N+]13C=C4C=CC=CC(C21)I3C4"]
["173179793","CN=C(O)OCC1(c2ccccc2)CCN(CCC(CN(C)S(=O)(=O)C2C=CC=CC2)c2ccccc2)CC1"]
["3894973","C[C@]1(CC(=O)N2CCC(c3cc(O)ncn3)CC2)C(=O)N=C2C=CC=CN21"]
["179276042","CC1C2=CC=CC1C(C)(C)C1=CC=CC(C1C)C(C)(C)C1CCCC(N1C)C(C)(C)C1CCCC(N1C)C2(C)C"]
["175629929","CC1C=C(C#N)C(CCNC(C(O)=Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)=CC1"]
["19113175","C[C@@H](c1[nH+]c2ccccc2c(=O)n1-c1ccc(F)cc1)N1CCN(C(=O)CSc2ccccc2)[C@@H](C)C1"]
["176409714","[2H]C([2H])([2H])C1([2H])C([2H])([2H])C1(C)N1C=C2C=CC=CN2C1"]
["180931154","CC1(c2ccccc2)C=CC=CC1N1C(=O)c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2C1=O"]
["MCULE-3124344494","CC(N=C(O)CC1(C)C(=O)N=C2C=CC=CN21)C12CC3CC(CC(C3)C1)C2"]
["115677680","CC1(C(O)=NCCC(=O)O)CC(=O)N=C2C=CC=CN21"]
["115677767","CC1(C(O)=NC(CCC(=N)O)C(=O)O)CC(=O)N=C2C=CC=CN21"]
["196010321","CCN(CC)CCCN=c1nnc(C2=CN(C3=CCCC=C3)C3C=CC=CC23)c(O)[nH]1"]
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["200377530","O=C=Nc1cc(Cl)ccc1-n1cncn1"]
["173755018","CCc1ccc2c[nH]nc2c1N=C=O"]
["157060791","Nc1cc(I)ccc1N=C=O"]
["89417569","Cc1cn2c(N=C=O)cnc2s1"]
["73474796","O=C=Nc1ccc(Cl)cc1.O=C=Nc1cccc(Cl)c1Cl"]
["164121270","C1CC2SCC34CC(SC3C3CCCC3S4)C2C1"]
["178930098","CCC1C2CCCC(I)C12"]
["175914387","CC1c2pcccc2C2CCCC12"]
["88895358","COC1CCc2c(nc(C(C)(O)C(=N)N)n2C)C1"]
["195764236","C1CCC2(C1)CC1SC12"]
["1940600","C[C@@H]1CCS[C@@H]2CCCC[C@H]12"]
["108421826","O=C1CCC[C@@H]2SCCS[C@@H]12"]
["145517131","NCC1CCCC2C3CCCCC3SC12"]
["75704407","CCC1SC2CCCC2C1CC"]
["157220006","CN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21"]
["197455613","O=C(O)CC1CSC2CCCC12"]
["173661157","Cc1cccc2c1CCCN2NC1CCN(C)c2ccccc21"]
["171667104","CCCC1OP2OOc3c4c5c(c1c3OP(O4)O5)OO2"]
["112658211","CCCC1N=C(O)C(C)N(C2CCOC(C)C2)C1=O"]
["120277320","CCCC1NC(CC)C(=O)N1C1CCOC(C)C1"]
["32698511","CCCC#CC#CC#CCCCCCC1OC(C)(OC)C(C)(OC)OC1=O"]
["48120666","CCCC1COC(=N)N1"]
["34102951","C=CCC1=C(O)[C@@H](CCC)OC1=O"]
["100141391","CCCCCC1C(=O)OC12CCCCC2"]
["24870464","CCCC1CC=C(c2ccc(C3=CCC(CCC)CC3)c(F)c2F)CC1"]
["34397652","CCCC1Oc2ccc(Cl)cc2N(Cc2ccco2)C1=O"]
["158989648","CCC[C@@H]1OC(O)=N[C@@H]1c1c(C)cc(C)cc1C"]
["88556043","CCCC1Oc2c(C)ccc(Cl)c2C1NC"]
["171565827","CCCC1C(C)=C(C)C(C)=C1C[Si-]=C1C=C(CC)[CH+]C(CC)=C1"]
["178471044","CC(C)N1B2N(c3ccccc31)c1ccnc[n+]1C1(C)C=IC21C"]
["95393518","CC1(C)CCC(NC2CC(N)c3ccccc32)CC1"]
["107576041","C[C@H](N)c1cnn(-c2ccccc2Cl)c1C(F)(F)F"]
["114616897","CC(C)N1/C(=C2\\C=C(O)C=CC2=O)Nc2ccccc21"]
["86955688","Cc1c(Cl)cccc1-n1cc(C(C)Cl)nn1"]
["4942235","Cc1ccccc1-n1c(S[C@H](C)C(O)=Nc2ccc3c(c2)OCCO3)nnc1-c1cccnc1"]
["166163814","CC(=O)C(N=C(O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C)C(C)C"]
["107210292","CCC[C@H]1Nc2ccccc2N(CC(=O)OC(C)C)C1=O"]
["96972774","CC(C)(C)OC(=O)N1C(=O)[C@@](C)([C@H](C[N+](=O)O)c2ccccc2)c2ccccc21"]
["9423898","CC(C)c1ccccc1-n1c(SCC(O)=NC(O)=NCc2ccccc2)nnc1-c1cccnc1"]
["156331966","CC1(C)CC(Nc2ncccc2Cl)C1"]
["8875460","O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cn(-c2ccccc2Cl)nn1"]
["195820804","C1OOc2c([nH]c3ooooc23)O1"]
["MCULE-6721637557","CN(C)CCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1CN(C)C"]
["17534137","N#CCc1cc(F)cc2c1OCOC2"]
["128066053","CN(C)CC1CCN(Cc2cc(Cl)cc3c2OCOC3)C1"]
["163255690","N#CC(O)c1cc(Br)cc2c1OCOC2"]
["131987137","N=C(SCc1cc(F)cc2c1OCOC2)N1CCOCC1"]
["128016069","CN(CCc1nccs1)Cc1cc(F)cc2c1OCOC2"]
["195877387","CC1(C)COc2ccc(=[NH2+])[nH]c2N1"]
["159678633","Cc1cc(=NCc2cc(F)cc3c2OCOC3)[nH]c(C2CC2)n1"]
["145807189","CN=C(NCCc1cc(F)cc2c1OCOC2)N1CCC(N2CCCCC2)C1.I"]
["176202958","C=O.O=C1OC(=O)C2CC1C1C3COC(=O)C(C3)C21"]
["143534157","CN(Cc1ncc(-c2ccccc2)[nH]1)Cc1cc(Cl)cc2c1OCOC2"]
["103022955","ClP1(Cl)=NP(Cl)(N2CCCOP23=NP(Cl)(Cl)=[NH+]P(Cl)(Cl)=N3)=NP(Cl)(Cl)=[NH+]1"]
["156165940","NS(=O)(=O)N1CCCOC[C@H]1c1conn1"]
["96564086","CCCP1(=O)OCCCN1Cc1ccccc1"]
["172848754","[NH2+]=P1(CCCl)OCCCN1CCCl"]
["152920918","FC(F)(F)c1nc(N2CCCO2)sc1Br"]
["100300940","CSP1(SC)=NP2(=[NH+]P3(=N1)SCCCN3C)SCCCN2C"]
["65748535","c1ccc(CN2CCCO2)cc1"]
["96948844","FP1(F)=NP(F)(F)=NP2(F)=NP(F)(=N1)OCCCO2"]
["60124192","ClP1(N2CCOCC2)=NP(Cl)(N2CCOCC2)=NP(Cl)(N2CCOCC2)=N1"]
["74052583","[c]1nc(N2CCCO2)co1"]
["96787411","ClP1(Cl)=NP23=NP(=N1)(OCCOCCOCCOCCO2)N1CCN(CC1)P12=NP(Cl)(Cl)=NP(=N1)(OCCOCCOCCOCCO2)N1CCN3CC1"]
["177683463","Cc1cccn2c(C(C)(C)N=C(O)C3CN(C)CCCO3)nc(C)c12"]
["170214727","N#CCCCCC(OCCC#N)C(CCCC#N)CC(OCCC#N)C(CCCCC#N)OCCC#N"]
["54047910","CCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCC#N"]
["54875809","N#CCCCCCOC(=O)C(F)(F)SOO[O-]"]
["79540129","N#CCCCC[SiH](O)O"]
["163248544","Cc1coc2cccc(C(N)CCC#N)c12"]
["183627451","CCc1cc(C(=O)N=[N+]=[N-])c(O)cc1OCCCCC#N"]
["49779853","CCc1ccc(OCCCCC#N)c(N)c1"]
["25434620","CC(C)OP(OCCC#N)OC(C)C"]
["181490265","CC(C)P(O)(O)(OP(O)(NCCC#N)(C(C)C)C(C)C)C(C)C"]
["175599553","CC(C)N(C(C)C)[P+](O)(OCCC#N)OCC(O)CO"]
["161755187","CC(CCC#N)P(C(C)CCC#N)C(C)CCC#N"]
["169149201","N#CCCCCCOc1cccc(C2C(C#N)(C#N)C2(C#N)C#N)c1"]
["149046425","O=I(I)(I)C(I)(I)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)=CI(I)I)C(F)(F)F)C(F)(F)F"]
["62548078","CC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F"]
["97547749","FC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccccc1"]
["176087960","O=S(=O)(O)CCC(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F"]
["99438700","F/C(O/C(F)=C(\\OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)=C(\\OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F"]
["185424723","C[Si]1(CCCOC(=O)COC(F)(C(F)(F)F)C(F)(F)F)O[Si](C)(CCCOC(=O)COC(F)(C(F)(F)F)C(F)(F)F)O[Si](C)(CCCOC(=O)COC(F)(C(F)(F)F)C(F)(F)F)O[Si](C)(CCCOC(=O)COC(F)(C(F)(F)F)C(F)(F)F)O1"]
["110603342","O=C(O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F"]
["184653126","O=c1occ(COC(F)(F)C(F)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)o1"]
["96531858","FC(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C1CCCO1"]
["172820623","CC(=O)OOC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["10227375","O=C(OCc1ccc(F)cc1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F"]
["3894908","COC(=O)[C@](C=[N+]([O-])[O-])(OC(C)=O)C(F)(F)F"]
["48561222","CC1=C2[N-]C[N+](C3CC(C[O-])C(COP)C3)=C2N=C=N1.[Y+3]"]
["90575488","CCc1[nH]nc2ccc(C(O)=NC3CC4CCC3N4)cc12"]
["45617127","Cc1ccc(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1[N+](=O)[O-]"]
["76834165","CCOC(=O)C1C(C)N=C(O)C(I)C1Sc1cc(C)cc(C)c1"]
["MCULE-9827933731","CCC(=O)c1cccc(C2CC2CN=C(O)OCC2c3ccccc3-c3ccccc32)c1"]
["15384265","COc1ccc(OC)c(N2C(SCc3ccc(C)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1"]
["53547048","COc1ccc(C)cc1C(C)NCCOCC(F)(F)F"]
["195211440","CCC1COCc2nnc(C)n21"]
["199497656","Cc1ccccc1[C@@H]1[C@@H]2CN(c3nnc(CC(F)(F)F)o3)C[C@@H]2CN1C"]
["MCULE-5630420655","Cc1cnc(C2CC2CCCl)s1"]
["98466188","CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1C1CCCCC1"]
["141147219","CCC(=O)c1ccc(OCCCCC(O)=Nc2ccc(C)nc2C)cc1"]
["99783501","FC1C=C2CO[B]C2=CC1"]
["55849152","O=C(O)[C@H]1CC=CC[C@H]1C(O)=NCCC1=CCCCC1"]
["180056569","CC1=C[C@H](C)CC=C1Cl"]
["74240262","CC1CC=C(F)C=C1CO"]
["196415582","C1#CC2CC=C1C2"]
["179715083","CC(C)c1nc(C(C)C)c2c([nH+]1)COC2"]
["101753556","O=S(=O)(O)[C@@H]1C=CC(F)CC1F"]
["97145079","C/C1=C\\[C@@H](C)C/C=C/[C@@H](C)COC(=O)CC/C(C)=C/CC1"]
["173332190","CC1CC2=CCCC=C2C1.CO"]
["110931799","CC1=CC2OC3CC[C@@](C)(C34CO4)[C@@]2(C)CC1"]
["174940390","OCC1=CCC(F)C=C1F"]
["196004554","O=CC1=CCC(C(F)(F)F)CC1F"]
["180440382","CI12=CC(=O)OOC([NH-])C[N+](CC(O)=NCCSSc3ccccn3)(CC1)COC(=O)C2"]
["129704712","CC(OCCCN=C(O)COc1ccc(F)nc1)c1ccccc1"]
["51209840","CCC(=O)N(C)CCc1cc2c(c(OC)c1C(O)=NNCc1ccccc1)OCO2"]
["MCULE-7353944187","O=C1OC(CC(O)=Nc2ncc(C(F)(F)F)cc2-c2c(F)cccc2F)c2ccccc21"]
["67914991","CC(NN=C(O)c1ccccn1)=C1C=C(F)C=CC1=O"]
["MCULE-1696900528","N#Cc1ccc(-c2cc(F)cnc2N=C(O)C2CC(=O)N(Cc3ccccn3)C2)cc1F"]
["136766855","CC(C)(C)OC(O)=NCC(NC(O)=NCc1ccccn1)C1CC1"]
["30027128","CCCCCCN=C(O)c1ccccc1CN1CC(CC(=O)O)CN(Cc2ccc(Cl)cc2Cl)C1=O"]
["175106654","C[C@@H]1C[C@H]([C@@]2(C)Cc3cnn(-c4ccc(Oc5ccccn5)cc4)c3C[C@@H]2CO)[C@@H](CN)[C@H]2CC[C@H](C)[C@@H]21"]
["59843067","Cn1ccnc1SCCC[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1"]
["134273995","Cc1ccccc1C1CC(C)N(C(O)=NCCN=C(O)c2cccnc2)C1"]
["156414975","CN1CC[C@H](c2ccccn2)C1"]
["99757510","[B+]=c1sc(=[B+])c2c1S([O-])([O-])CCS2(=O)=O"]
["96970386","c1cc2sc1CCCc1ccc(s1)C1CCC21"]
["159674187","Cc1nc(-c2ccccc2)sc1C(O)=NC1CCCS(=O)(=O)C1"]
["88401038","COC(=O)Cc1ccc(CNC2CCS(=O)(=O)CC2)s1"]
["89326611","Cc1cc2c(cc1C)S(=O)(=O)CCCN2"]
["161911874","O=S1(=O)CCCSS1(=O)=O"]
["101738289","C=C1CCCS(=O)(=O)O1"]
["94427719","NCC#Cc1ccc(CN2CCCCS2(=O)=O)s1"]
["165844033","N/N=C1\\CCCS(=O)(=O)C1"]
["112290331","COCCC(C)(O)CNC1CCS(=O)(=O)c2ccccc21"]
["184118684","CCCOC1CCS(=O)(=O)c2c(C)cc(C(=O)C3C(=O)CCCC3=O)c(C)c21"]
["112456386","O=C(O)c1ccc(C(=O)N2CCCS(=O)(=O)CC2)s1"]
["85440293","CC(C)N=c1[nH][nH]c2c1C(C)(C)OC2(C)C"]
["43338112","CC(C)N=c1[nH][nH]c2c1CCCC2C"]
["93834647","CCOC(=O)c1csc2c1C(C)(C)OC2(C)C"]
["172801721","Cc1cccc(C(O)C2CCC(C)(C)N2)c1.Cl"]
["89225391","Cc1cc(-c2cccc(F)c2)cc(=NC(C)C)[nH]1"]
["74398561","CC(C)N=c1[nH][nH]c(-c2c(Cl)cc(C(F)(F)F)c(C#N)c2Cl)c1C(=O)C(F)(F)F"]
["49451516","Cc1c(Cl)n[nH]c(=NC(C)C(C)C)c1C"]
["112694423","CCOCC(N=C1NC2(CCC(C)CC2)CS1)C(C)C"]
["111106288","Cc1cc(N2CC(C)(C)OC(C)(C)C2)c([C@@H](C)O)cc1F"]
["4089013","CSC[C@H](C)C(=O)N=c1[nH][nH]c2ccccc12"]
["169752800","CC(C)c1cccc(C(C)C)c1N1CN(c2c(C(C)C)cccc2C(C)C)C(=O)C(C)(C)C1.Cl"]
["168201787","COc1ncnc2c1NC1=C(S2)C(=NC(C)C)CC(C)(C)C1"]
["172823434","CO[SiH](CCCCN)O[SiH](OC)O[SiH2]CCCCN"]
["79334282","CO[SiH](CCCCNCCCCCCN)OC"]
["181422019","C[SiH](C)CC[SiH2]O[Si](C)(C)C"]
["185868891","CC(C)(C)OC(=O)CN[C@@H](CCCCN)C(=O)OC(C)(C)C"]
["MCULE-5054683876","COC(=O)c1ccc(CCCCN)cc1N"]
["144764187","COc1cccc2c1CC(CCCN)N2C(C)C"]
["88170328","COc1nc(C2CCC2)nc(C)c1CCCN"]
["79304103","CC(N)N.CCCC[SiH](OC)OC"]
["79934720","CCC[Si](NCCN)(OC)O[SiH2][SiH2]O[SiH](C)C"]
["MCULE-8985425482","N#Cc1c(N)cccc1CCCCN"]
["174392471","COCC(OC)(OC)O[SiH2]CCC(N)(N)N"]
["111753001","COCC(O)(CCCN)c1cncnc1"]
["43618884","[Si+]=c1cc[c+]2[nH][c-]3ccc(=[Si-])cc3c2c1"]
["200217704","O=c1c2nnc(Cl)cc2[nH]n1-c1c(Cl)cccc1Cl"]
["MCULE-3747699269","CCOc1ccc2cc(C(O)=Nc3nc(C)n[nH]3)c(=O)oc2c1"]
["68435343","COCc1ccc(CNc2cccc3n[se]nc23)cc1"]
["174865099","C#Cc1cc(=[Si-])ccc1=[Si+]"]
["177135740","Cc1cc(=[Si-])ccc1=[Si+]"]
["99699014","CC/C=C/C1(CC)Nc2ccc(C)cc2N1"]
["127021196","Cc1cc(C(O)=NNC(O)=Nc2cc(Br)ccc2OC(C)C)n[nH]1"]
["175586315","Nc1ccc2c(N)n3[nH]ccc3nc1-2"]
["44915327","C[Si](C)(C)Nc1cc(=[Si-])[cH+]c(=[Si+])[cH-]1"]
["25674540","N#Cc1cc(-c2cccc(OC(F)F)c2)[nH]c1C#N"]
["43081959","COc1cc(CNc2cccc3n[se]nc23)cc(Br)c1O"]
["100261360","C=CSN=CN=C[N+]1=CN=C=CN1"]
["153828161","O/N=C/c1ccc(/C=N/O)[nH]1"]
["181260723","C=CC(=O)N=c1cc(N)nc(S#[N+]N=[N-])[nH]1"]
["196410246","C=CSN=C(C)C.CC"]
["70336914","CCC=C1C2C=C(C)CC1(N)C1C=CC(=O)N=C1C2"]
["184421497","CCC[N+]1=CN=C=CS1"]
["78416637","C=CSN=C"]
["78469141","C=C/N=C(/C)SN"]
["173813442","C=CSN=C(C=C)C(C)CCC"]
["148831166","COC1CCC(CN2[C]3N=C=CNC3=NCC2=O)CC1"]
["76862050","C=Cc1cc(=N)n[n+](N)[nH]1"]
["187882069","C=Nc1nc(C)cn1/N=C\\N=CC"]
["97173534","N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=NSS[N]1"]
["98838702","FC1=NNCN1C(F)(F)C(F)(F)F"]
["173746962","[B+]=C1C=N[C-](C(C)(C)C#N)C(=[B+])[CH-]1"]
["184672102","N#CC(=C1Sc2nc(C#N)c(C#N)nc2S1)c1cc(F)cc(C(F)(F)F)c1"]
["171019373","N#Cc1cc(CBr)c(C(F)(F)F)cc1I"]
["74462032","FC(F)(F)C1=NC=C=C(Br)[N]1"]
["200049729","CC1(C)C[C@@]2(C=C(C#N)C1=O)CCN(C(=O)C(C)(C)C(F)(F)F)C2"]
["88904289","N#Cc1ccccc1Cc1c(O)nc(O)nc1C(F)(F)F"]
["166740003","N#CCc1nc(O)cc(OC(F)(F)F)c1CBr"]
["145411651","N#Cc1c(N)cc(Cl)nc1OC(F)(F)F"]
["MCULE-4391715851","N#Cc1ccsc1-c1cc2ccc(C(F)(F)F)cc2[nH]1"]
["195127051","Cl.N#CC(Cl)(C(F)(F)F)C(F)(F)F"]
["181950680","[N-]=[N+]=NS[N+]([O-])=S([N+]([O-])=S)([N+]([O-])=S)([N+]([O-])=S)[N+]([O-])=S(O)(NO)([N+]([O-])=S)[N+]([O-])=S"]
["182352287","Cc1cc(C)c([N+](=O)[O-])c(C)c1CN=[N+]=[N-]"]
["182130529","[N-]=[N+]=NC=C(O)[N+](=O)[O-]"]
["181614023","[N-]=[N+]=NN(C(=O)O)C(=O)N(N(NO)C(=NNO)NO)[N+](=O)[O-]"]
["185868161","[N-]=[N+]=NN=C(O)O[N+](=O)[O-]"]
["182303739","[N-]=[N+]=NN(c1cccc(O)c1O)[N+](=O)[O-]"]
["183334968","[N-]=[N+]=NC(Cl)(NO)[N+](=O)[O-]"]
["183531899","[N-]=[N+]=NNS(=O)(=O)CCC[N+](=O)[O-]"]
["185310662","[N-]=[N+]=NS(=O)(=O)N[N+](=O)[O-]"]
["182030038","Cc1cc(N=[N+]=[N-])ccc1NS(C)=O"]
["181916422","[N-]=[N+]=NN(C(=O)COc1ccccc1)[N+](=O)[O-]"]
["183031868","[N-]=[N+]=NN(CC(Cl)CCCl)NCCCCCCO"]
["101529052","N=NCCN(CCNN=N)CCN(CCNNCCN(CCN)CCNN)CCN(N)CCNN"]
["195870959","C=NNCCCNN"]
["177542423","CCCC(C)CNCCN(CCN)CCN(Cl)CCN(CCN)CCN(CCN)CCNCCN"]
["191059390","CCCNCCN(CCN(CCN)CCN)CCN(CCN)CCCCCN(CCN)CCN"]
["153537233","NCCN(CCO)CCOC(=O)c1ccc(CN=C(O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1"]
["170014462","CC(C)CN(CCN)CCNCCN(CCNCCN)CCN(CCNCC(C)(C)N)CCC(CCN)CCN"]
["68053404","CNCCN(CCN=C(O)CC(=O)[N+](CCNC)(CCNC)CNC)CCNC"]
["150538944","CC(C)(CCN)NCCN(CCN(CCN)CCN)CCN(CCNCCN)CCNCCN(CCN)C(C)(C)CCN"]
["25266618","CB(O)NCCN(CCN(CC(C)=O)CC(C)=O)CCN(CC(C)=O)CC(C)=O"]
["168478887","NCCN(CCN=Cc1cccc(C(=O)O)c1O)CCN=Cc1cccc(C(=O)O)c1O"]
["61844764","CCOC(O)=NCCN(CCN)CCN=C(O)OC"]
["92776110","CC(C)(C)OCCN(CCN)CCN"]
["171520590","O=[P+](O)c1cccc(Cc2ccc3[n-]nc(C4=Cc5ccccc5[NH2+]4)c3c2)c1"]
["137620524","Cc1ccc(O)c(N=C(O)CCNC(=O)c2n[nH]c3ccccc23)c1"]
["177043081","Cn1c2ccccc2c2cc(Cc3ccc4[nH]c5ccccc5c4c3)ccc21"]
["MCULE-5246373211","O=C(Oc1cccc2c(N=C(O)CN3C(=O)c4ccccc4C3=O)cccc12)c1cccc([N+](=O)[O-])c1"]
["104190963","COc1ccc(C)cc1N=C(O)[C@H](C)OC(=O)CN=C(O)c1sc2ccccc2c1Cl"]
["MCULE-2346232665","OC(Cc1ccc(Cl)cc1)=NC(O)=Nc1cccc2cccnc12"]
["86340402","CNc1cc(NC(CO)Cc2ccccc2)nc(C)n1"]
["174908615","Cc1ncc2ccc(Cc3ccccc3)cc2c1O"]
["191373008","CCOC1C=Cc2ccccc2N1Cc1cccc(OC)c1"]
["148230380","COc1cccc(CNC(C)CC(O)=Nc2cc(OC)ccc2OC)c1"]
["33255554","O=C(OCc1ccccc1)c1ccc(-c2cccc(Cc3nnc(O)c4ccccc34)c2)cc1"]
["126067387","CCCC(O)=NCC1CCCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1"]
["173162405","CC1=C(C)N(C)N(S)N1.CC1=C(C)N(C)N(S)[NH2+]1.F[B-](F)(F)F"]
["179091133","CC1=CC2=C[NH2+]N2C=C1"]
["51663806","CN1NC=CO1"]
["4934779","Cc1ccc(C(=O)[O-])n1C"]
["180217727","CC1=CC(F)=NNC(=N)C=C1"]
["173364745","[B]C1(F)CC(C)=NN(S)C1=O"]
["171482641","Cc1ccccc1[PH+](c1ccccc1C)C(C)(C)C.F[B-](F)(F)F"]
["68832275","CC1=C(Br)SC(Br)N1C"]
["160292376","Cc1c[nH]cc1C(=O)N1CC2(CCC2)CC1C"]
["183256790","CCCC1=NN(CCC)C(C)=C(C)C(C)=C1C"]
["114586178","CNC(C)C1=C(C)N/C(=C2/C=CC(=O)C(F)=C2)S1"]
["176175264","CC1=CNN(C)N1C"]
["176388875","C=C1/C=C\\C=C/N(c2cccc(C(/C=C\\C)=C/C)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4Cc3cccc4c3/C(=C\\N)C(/C=C\\C)=C4N)cc21.CC"]
["942707","Cc1ccccc1Cn1c2ccccc2c2cnn(CC(O)=NCc3ccccn3)c(=O)c21"]
["161508723","c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ncc5cccc6c5c4-c4ccccc4-6)cc3c3c4ccccc4ccc32)cc1"]
["MCULE-7455132729","COCCn1cc(CCC(=O)Nc2ccc(-n3cccc3)cc2)c2ccccc21"]
["MCULE-6801021714","CCOC(=O)c1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1"]
["188320039","Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccncc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1"]
["MCULE-7622986571","C#CCn1c(C)c(CN2CCC(O)C(C)C2)c2ccccc21"]
["172307766","CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(-c6ccc7c(c6)CC6Cc8cc(F)ccc8N76)c5)ccc4n(-c4ccccc4)c3cc21"]
["53456344","Cc1oc(-c2ccccc2)nc1COc1ccc(Cn2c3ccccc3c3c(OC(C(=O)O)c4ccccc4)cccc32)cc1OCI"]
["198493984","C=C(/C=C(\\C=C\\c1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4c3ccc3c5ccc6c(c7ccccc7n6-c6ccccc6)c5n(-c5ccccc5)c34)c(-c3ccccc3)c2)n1)c1ccccc1)c1ccccc1"]
["172146072","[C-]#[N+]c1cc(C#N)ccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc2c3ccccc3n(-c3c(C)cccc3C)c12"]
["168760002","c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4cccc5c6ccccc6n(-c6ccccc6-c6ccccc6)c45)ccc32)cc1"]
["46947932","[W].[W].[c+]1ccc2cc3c(cc12)C=C[C-]=3"]
["185018749","Nc1ccc2nc3cc(C(=O)O)ccc3nc2c1"]
["74694700","CC(C)(C)c1cc2ccc(Cl)cc2[s+]1C(F)(F)F.[Cl-]"]
["87632792","COc1ccc(Cl)cc1CN1CCC(C)(N)CC1"]
["155455428","N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCOC1"]
["176694171","O=C(O)c1ccc(Cl)c(N=C(O)CCc2ccc(Cl)cc2)c1"]
["64433859","Oc1ccc([C@@H]2CCN2)c(Cl)c1"]
["55783237","O=C(O)c1ccc(F)c(N=C(O)c2ccc(O)c(Cl)c2)c1"]
["55594686","Cc1ccc(-n2c(C(C)Cl)nc3cc(Cl)ccc32)cc1Cl"]
["23809037","O=C(c1cccc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["45312389","CNC(c1cc(Cl)ccc1Cl)c1ccccc1C(F)(F)F"]
["75781544","Clc1ccc2c(c1)[N]C=C2"]
["78709967","C[SiH]1O[SiH](C)O[Si](C)(CN=[N+]=[N-])O[Si](C)(C)O1"]
["182435591","Cc1ccc(F)c(C)c1CN=[N+]=[N-]"]
["183950528","COC(CSCCCN=[N+]=[N-])OC"]
["195194645","[N-]=[N+]=NCCCOCCOCCOCCOCCOCCCN=[N+]=[N-]"]
["182268061","C=COC(CCC)CCN=[N+]=[N-]"]
["183434642","Cc1cc(N(C)C)oc1CN=[N+]=[N-]"]
["184080713","CC(CCN=[N+]=[N-])=NN(C)C"]
["183089576","CC(C)(O)OCCN=[N+]=[N-]"]
["183134698","CN(C)c1cccc2c(CN=[N+]=[N-])ccnc12"]
["181983879","[N-]=[N+]=NCN=C(O)c1ccoc1"]
["183476765","C=C(C)C(C#N)CN=[N+]=[N-]"]
["182015533","[N-]=[N+]=NCCC1=CC(Cl)=C(Cl)C(Cl)(Cl)C1"]
["79537204","B1O[C@H]([C@@H]2COC3(CCCCC3C3([C@]4([C@@H]5COC6(CCCCC6)O5)COBO4)COC4(CCCCC4)O3)O2)[C@@H]([C@H]2COC3(CCCCC3)O2)O1"]
["139833230","OC(CC1CCCO1)=NCC1COC2(CCCCCC2)O1"]
["3715935","OC(=NC[C@H]1COC2(CCCCC2)O1)c1ccsc1"]
["77001555","CC12CCCCC1C1(CO1)C(OS(C)(=O)=O)CC2"]
["34352200","OC(=NC(=NCC1COC2(CCCCC2)O1)N=C(O)OCc1ccccc1)OCc1ccccc1"]
["160655860","CC1CN(C(O)=NCC2CCC3(CCCCC3)O2)CC(C)S1(=O)=O"]
["90828774","CC1(C)OCC23CCCCC24C(CC42C(=O)OC4(CCCCC4)OC32)O1"]
["116904790","CCN(CC)C(=N)NCC1COC2(CCCCC2)O1"]
["17275333","COc1ccccc1CNC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1"]
["49762096","CC1OC2(CCCCCC2)OC1C"]
["9964582","Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H]1COC2(CCCCC2)O1"]
["130299614","OC(=NCC1COC2(CCCCCC2)O1)c1ccccc1N1CCOCC1"]
["186668071","C[C]1[N-]N(B(n2[nH+]c(C)sc2=S)n2[nH+]c(C)sc2=S)C(=[SH+])S1"]
["44484985","CCN1CCN(Cn2[nH]c(=Nc3cccc(C)c3C)sc2=S)CC1"]
["7188009","CN(C)c1nc(Cl)nc(Sc2nn(C)c(=S)s2)n1"]
["19174242","CN(C)c1[nH+]n(CN(CC2CC2)C2CCCCC2)c(=S)s1"]
["139831850","CCOC(=O)N1CCCN(Cn2nc(C3CC3)sc2=S)CC1"]
["85501914","Cc1cc(S(=O)(=O)NC2CCCCC2O)sc1Br"]
["126814955","Cc1ccc(-n2nnn(CN(C)CCc3ncc(C)s3)c2=S)c(C)c1"]
["139200956","Cc1nn(CN2CCC(c3ccnn3C)CC2)c(=S)s1"]
["88108191","Cc1cc(C)c(C2CCCN2)s1"]
["11748924","CC(C)N1C(=O)/C(=C\\c2ccc([N+](=O)[O-])s2)SC1=S"]
["20429131","CCOc1[nH+]n(CN(C)CC2CCCC2)c(=S)s1"]
["129927958","CC1CCN(Cn2nc(C3CC3)sc2=S)CC1C"]
["63036276","O=P1(Cl)N(C(Cl)=NN=P(Cl)(Cl)Cl)P(=O)(Cl)N1C(Cl)=NN=P(Cl)(Cl)Cl"]
["883116","COP(=O)(OC)C(N=C(O)C(C)(C)C)=C(Cl)Cl"]
["179404480","C=C(/C=C\\C(=C)C(=O)Cl)N=O"]
["56575691","C/C(=C(/Cl)CP(=O)(Cl)Cl)C(C)C"]
["26832021","CC(CCP(=O)(O)Cl)CC(=O)Cl"]
["181770642","[N-]=[N+]=NN=C(O)Nc1ccc(P(=O)(O)O)cc1"]
["149878815","O=C1N2CC(N1OS(=O)(=O)O)C1(CC1)CC2C(O)=NN=C(O)C(F)(F)F"]
["67152303","CN1P(=S)(Cl)N(C)P1(=S)Cl"]
["81439344","N#CC#COP(=O)(CCCl)ON=C(F)Cl"]
["121009607","O=P(Cl)(Cl)/N=C(\\Cl)N1CCCC1"]
["175491182","[CH]/C=N\\C(Cl)=CC(=O)O.[W]"]
["185164329","O=C(Cl)C12C=CC(Cl)(CC1)CC2"]
["191112686","O=CPC1=NC2=C(C1)c1ccc3c4c(ccc3c1CC2)-c1ccc2c(c1CC4)CCc1nc(PC=O)[nH]c1-2"]
["174551533","O=CC1(c2cccc3c4c(ccc23)-c2ccccc2CC4)C=NC=CO1"]
["101960532","Cc1nc2c([nH]1)-c1ccc(-c3ccc4c(c3)c3ccccc3c3nc(C)[nH]c43)cc1CC2"]
["86378777","Cc1cc(=O)oc2cc(Oc3nc(Cl)nc(=N)[nH]3)ccc12"]
["33127587","COc1ccc2[nH]c3c(c2c1)CS(=O)(=O)CC3"]
["79015279","O=S(=O)=C1C=CC(Cl)=C(c2c3nc(c(C4=C(Cl)C=CC(=S(=O)=O)C4)c4ccc([nH]4)c(C4=C(Cl)C=CC(=S(=O)=O)C4)c4nc(c(C5=C(Cl)C=CC(=S(=O)=O)C5)c5ccc2[nH]5)CC4)CC3)C1"]
["175200176","C=C.CC/C=C(/CCC(C)=O)c1c(C)n(CCNCC)c2ccc3c(c12)CCC3=O"]
["MCULE-4211270624","Cc1ccc(-c2nc(=NCCCCCC(=O)O)c3c([nH]2)CCC3)cc1"]
["191014877","O=CPc1cc2c([nH]1)-c1cc3c(cc1CC2)-c1ccc2cc(-c4ccc5nc(PC=O)[nH]c5c4)ccc2c1CC3"]
["26303380","O=C1CCc2c(-c3ccccc3)[nH]c3c(F)ccc1c23"]
["164630912","Cc1ccc(-c2cc(C(N)=O)nc3c2CCOC3)c(F)c1"]
["111485366","O=C(O)C1CCc2nc(-c3cnn4ccccc34)[nH]c2C1"]
["178718491","C=C1C(=[NH2+])C2C([N+]3=C1N=C=C3)[N+]21C2C3=C[N-]C=C4CCN5C=CN(C5=C43)C21.[Re]"]
["181505005","[N-]=[N+]=NN1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1"]
["20869666","CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(O)=NCc2ccccc2OC)CC3)CC1"]
["104295565","COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3CC3CC3)nc21"]
["176247043","Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C(O)=NS(C)(=O)=O)c2nc(N3CCC(n4cc(F)c(C)n4)CC3)n(C)c(=O)c2c1"]
["170746380","C[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1"]
["168554618","O=C1[N-]C(=O)C(=CC2=NC(=NCC3CCN(CC4=CCC#CC(F)=N4)CC3)[NH+]=C[CH+]2)S1"]
["MCULE-8795496058","Fc1ccc(F)c(-c2cn3nc(C(F)F)cc3[nH]2)c1"]
["194809144","Clc1ccc2[n+](n1)C=C=N2"]
["183856585","C[C@@H]1C[C@H](N=[N+]=[N-])CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1"]
["94811932","CC(C)(C)C1CCc2nc3ccc(Cl)cn3c2C1"]
["132740067","COc1ccccc1CN=C(O)C(C)N(C)C1CCCN(c2cccnn2)C1"]
["174076547","[B+]=c1c(O)c2[nH]c1=CC1=C(O)C(=O)C(=Cc3[nH]c(c(O)c3[S-])C=c3[nH]c(c(O)c3O)=C2)N1"]
["61095577","O=C1OC(CSCCS(=O)(=O)O)(C(=O)O)C(SCCS(=O)(=O)O)=C1O"]
["91572748","CCc1c(O)c(O)c2c(c1O)=C(O)C(=O)C(=O)C=2"]
["33465993","O=C1c2c(O)c(Br)cc(Br)c2O[C@@H]2CC[C@H](O)[C@H]12"]
["168551144","Oc1c(O)c2ccc1c1c2C2=NC1=Cc1[nH]c(c3c4ccc(c(O)c4O)c13)N=c1[nH]c(c3c4ccc(c(O)c4O)c13)=Cc1[nH]c(c3c4ccc(c(O)c4O)c13)N2"]
["76240070","O=C1N/C(=C\\c2ccccc2)C(=O)C(c2ccccc2)=C1O"]
["168490856","[2H]c1ccc2c(O)c(C3=Nc4cc(Br)ccc4C3=O)[nH]c2c1"]
["155144505","Cc1c2c(cc(O)c1-c1nc3ccc(O)cc3[nH]1)C(=O)c1c(O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c1C2=O"]
["55283835","N#CC(/C=C1\\C=C(I)C=C(I)C1=O)=C1Nc2ccccc2N1"]
["199979400","CC.OC(=NC1(c2ccc(-c3scnc3O)cc2)CC1)[C@@H]1CCCN1"]
["159935083","CCn1[nH]c(=NC(=O)CN2C(=O)C3(CC(C)CC(C)C3)N=C2O)cc1C1CC1"]
["145074168","COC1=C(Br)C=C(C)/C(=C2\\C=C(C(=O)O)ON2)C1=O"]
["76239709","[1CH3][1CH]([1CH3])[1C@H]1[1CH2][1CH2][1C@H]2[1C@@H]3[1CH]=[1CH][1C]([1CH2][1OH])=[1CH][1CH2][1C@]3([1CH3])[1CH2][1CH2][1C@]12[1C](=[1O])[1OH]"]
["76239918","[1CH3][1C@@H]1[1CH2][1CH2][1C@@H]([1C@@H]([1CH3])[1C](=[1O])[1OH])[1C@]2([1OH])[1C@H]1[1CH2][1CH2][1C@@]1([1CH3])[1O][1C@@H]21"]
["76239667","[1O]=[1C]1[1O][1C]([1CH2][1c]2[1cH][1cH][1cH][1cH][1cH]2)([1C](=[1O])[1OH])[1O]/[1C]1=[1CH]\\[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["69491774","[1CH3][1C](=[1O])[1O][1CH]1[1O][1C@@H]([1C@@H]2[1O][1C]2([1CH3])[1CH3])[1CH2][1C@H]1[1C@@H]1[1CH2][1CH]=[1C]2[1C@@]3([1CH3])[1C@H]([1C@H]([1OH])[1CH2][1C@]21[1CH3])[1C@@]1([1CH3])[1CH]=[1CH][1C](=[1O])[1C]([1CH3])([1CH3])[1C@@H]1[1CH2][1C@H]3[1O][1C]([1CH3])=[1O]"]
["76239721","[1CH3][1C](=[1O])[1O][1C@H]1[1CH2][1CH2][1C@]2([1CH3])[1C@H]3[1CH2][1O][1C](=[1O])[1C]3=[1CH][1CH2][1C@H]2[1C]1([1CH3])[1CH3]"]
["76239854","[1CH2]=[1C]1[1C](=[1O])[1O][1C@@H]2[1CH]3[1C]([1CH3])=[1CH][1CH2][1C@@]34[1O][1C@@]4([1CH3])[1CH2][1C@H]([1O][1C]([1CH3])=[1O])[1C@@H]12"]
["76239956","[1CH3][1C@@H]1[1CH2][1CH2][1C@@H]([1C@@H]([1CH3])[1CH2][1OH])[1C@]2([1OH])[1C@H]1[1CH2][1CH2][1C@@]1([1CH3])[1O][1C@@H]21"]
["76239797","[1CH2]=[1C]1[1CH2][1CH2][1C]2=[1C]([1CH2][1OH])[1C](=[1O])[1O][1CH]2/[1CH]=[1C](\\[1CH3])[1CH]([1O][1C]([1CH3])=[1O])[1CH2][1C]1=[1O]"]
["76239707","[1CH3][1CH]([1CH3])[1C@H]1[1CH2][1CH2][1C@H]2[1C@@H]3[1CH]=[1CH][1C]([1CH2][1OH])=[1CH][1CH2][1C@]3([1CH3])[1C@H]([1OH])[1CH2][1C@]12[1C](=[1O])[1OH]"]
["76239967","[1CH2]=[1CH][1C@@]1([1CH3])[1CH2][1CH2][1CH2][1C@@]([1CH3])([1C](=[1O])[1O][1CH3])[1C@@H]1[1CH2][1CH2][1c]1[1cH][1c]([1CH]([1CH3])[1CH3])[1cH][1c]([1CH3])[1c]1[1C]#[1N]"]
["76239991","[1CH2]=[1C]1[1CH2][1C]([1C](=[1O])[1O][1CH3])([1C](=[1O])[1O][1CH3])[1CH2][1CH]1[1CH]([1CH2][1O][1C]([1CH3])=[1O])[1B]1[1O][1C]([1CH3])([1CH3])[1C]([1CH3])([1CH3])[1O]1"]
["184419863","C=C(/C=C\\c1c(C)c(=C/C=C\\C)/c(=C/c2ccc3c(C4=CC=C(c5[nH+]c6ccc(C)cc6s5)CC4)c4ccc(=c5ccc6cccc([O])c6[n+]5=C(C)C)cc4c(=c4ccc(=C5[N-]c6ccc(C)cc6S5)cc4)c3c2)c2ccccc12)c1ccccc1.[Al+].[H]"]
["165850232","Cc1ccc2[nH+]c(/N=c3/cc(-c4ccccc4)oc4ccc(Cl)cc34)sc2c1.F[B-](F)(F)F"]
["153000003","C=C(/N=C(\\N=C(/C)c1ccccc1)C(/C=C\\C=C\\c1cccc(CC)c1)=C/C)c1ccccc1"]
["100147397","CC1(C)OB(c2c3ccccc3c(C3=CC=C(c4ccc5c6c(cccc46)-c4ccccc4S5)CC3)c3ccccc23)OC1(C)C"]
["192398008","C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)Nc1ccccc1S2.CC(C)(C)OC(=O)c1cccc(B(O)O)c1.CC(c1cccc(C(=O)OC(C)(C)C)c1)c1ccc2c(c1)Nc1ccccc1S2"]
["4656427","CCN1CCc2c(sc(N=C(O)CSc3ccc(C)cc3)c2-c2[nH+]c3ccccc3s2)C1"]
["49409739","Cc1ccc(C)c(N=C(O)CSc2ccc(NC(=O)/C(=C/c3cccc4ccccc34)N=C(O)c3ccccc3)cc2)c1"]
["176130284","C=C(/C=C\\C=C/C)C1(c2ccccc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)C3=C4CC#CC=C3)ccc2-c2c1ccc1c2oc2ncccc21"]
["191209678","C/C=C(\\C)C(O)=N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)C(OC(=O)c3ccccc3)C3[C@](C)(C(=O)[C@H](C)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@@]31OC(C)=O"]
["171581657","CC(C)(C)c1cc(-c2nccc3c4c(sc23)CCc2ccncc2-4)[c-]c2ccccc12.CCC(C)(CC)C(=O)/C=C(\\O)C(C)(CC)CC.[Ir]"]
["4581093","Cc1cc[n+](CC(=O)[NH+]=C2C=CC(=C3[N-]c4ccc(C)cc4S3)C=C2)cc1"]
["MCULE-3053281226","Cc1ccc(C)c(N=C(O)COc2ccc3ccccc3c2C=CC(=O)c2ccc(C)c(C)c2)c1"]
["171611679","COC1NCNC(C2CC2)C1C1NCC2C(N1)C(CC1CCC(C3NC(C(F)(F)F)CN3C)CC1)NN2CC(F)(F)F"]
["121514021","COc1ccc(Br)cc1CCC(=O)N1CC2CCCCC2C1"]
["124067066","FC(F)(F)Cn1ccnc1CN1CCCC(c2nnc3ccccn23)C1"]
["51426347","CCC(C)C1CN(CCC2CC2)C(CC)CN1"]
["170931795","COC1NCNC(C2CC2)C1C1NCC2C(N1)N(CC1CCC(C3NCC(C(F)(F)F)N3)S1)C(=N)N2C"]
["116569473","CCN=C(NCCOCC1CC1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1"]
["123761818","COCCN(Cn1c2c(sc1=O)CC(C(C)(C)C)CC2)CC(F)(F)F"]
["137561509","CCN(CC1CCN(Cc2ccc(OC(C)C)c(OC)c2)C1)CC(F)(F)F"]
["74279089","CCCC1CCC(C2CCC(C(F)(F)Oc3ccc(C)c(F)c3C(F)F)CC2)OC1"]
["162023978","CN1CCN(CC(F)(F)F)C(CC(F)(F)C(F)F)C1"]
["130139718","COc1ccc(CN2CCCC(Cc3nccn3C)C2)c(Cl)c1OC"]
["107657914","CC[C@H]1CN(C)[C@H](C2CCCCC2)CN1"]
["173666143","COC1C2C(=O)c3c(sc(O[B]O)c3C)C2C(CO)C2C(=O)c3c(sc(B(O)O)c3C)C12"]
["76237780","COc1c(C)c2c(c(N=C(O)C(F)(F)F)c1CC=C(C)OC(=O)C1CCCCC1)C(=O)OC2"]
["195005297","COC1C=C(C)CC(=O)C2(O)C(CC2(C)C)C(CO)=C1"]
["98350090","CC=C(CC)Oc1nc(=N)[nH]c2c1sc(=O)n2[C@@]1(O)CO[C@H](CO)[C@H]1O"]
["149756232","COC1CCC2CN(c3ccc(C=O)s3)C(=O)C2C1"]
["45200627","COC1C(CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)OC(CCOC(=O)C(C)(C)C)C1CO"]
["175872275","COC1C(O)=C(CO)O[C@H]1n1cc(C)c(=N)nc1O"]
["162360506","Cc1ccc(C2C(CO)C2(C)C)s1"]
["170909298","CC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)C(=O)[C@](C)(OC)C(=O)C2=CN1CCO"]
["59159754","COC(=O)[C@@H]1CC(C)(C)C(=O)N1B(C)O"]
["63209691","CCOC(=O)C=c1[nH]c(=O)c(=Cc2ccc(C)s2)s1"]
["152709201","COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=S)N=C3O)c2C)sc(C)c1C"]
["161806382","Cc1c(Br)ccc(CSS2(#SCc3ccc(Br)c(C)c3F)C=CSC2=C2SC=CS2)c1F"]
["138548077","Cc1noc(C)c1CSCc1ccc(Br)c2cccnc12"]
["MCULE-3297366065","COc1cccc(Cn2nc(Br)c3c2CCC3C)c1F"]
["93376830","CNC(Cc1ccc(F)cc1Cl)c1ccc(C)cc1Br"]
["114954693","CNC(Cc1ccc(F)c(Br)c1)c1sc(C)nc1C"]
["149051428","Cc1c(C2=NC(C)(C)C(C)(C)c3c(F)cccc32)cnn2c(Br)ccc12"]
["66102083","CN(CCNS(=O)(=O)c1ccc(F)cc1Br)C1CC1"]
["119901562","Cc1cc(C(Br)Cc2c(F)cccc2F)sc1Cl"]
["114487203","Cc1cc(F)c(Br)cc1Nc1cccc(NN)n1"]
["162640234","Cc1cc2c(F)c(CO)ccc2s1"]
["107792828","Cc1cccc([C@@H](N)C(O)=NC[C@@H](C)O)c1F"]
["152683267","Cc1cc(Br)cc(C)c1N=C(O)CSc1ccc(F)cc1"]
["180070605","C/C(=C\\CC(C)CC1=NNN(C)N1C(O)CC(C)C)Cn1nnc(C(O)CC(C)C)n1"]
["117182695","CCCS(=O)(=O)NC(CC(C)C)c1nccs1"]
["167504219","C=CCC(C)C=C(C)Cn1c(COCC)cc(=C/C)/c1=C\\C"]
["145100405","CC(C)CC(CC(=O)O)c1nnn(C)n1"]
["125814703","CC(C)C(N=C(O)c1ccccc1)c1nnn(CCCCCCO)n1"]
["32327157","C=CC[C@@H](C[C@H](O)[C@@H](O)C(=O)n1cccc1CC)OCOC"]
["22769506","CC(C)Cc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)CC(C)c2ccccc2)cc1"]
["130907109","Cc1cc(CC(C)N=C(O)c2cnn(-c3ccc(F)cc3)n2)n[nH]1"]
["MCULE-7172679334","CCOc1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(CCN=C(C)O)C2=O)cc1"]
["23053847","CC(C)CC(N=C(O)c1ccccc1Cl)c1nnc(SCC(O)=Nc2ccccc2F)n1C"]
["10089962","C=C(C)CN(CC)C(=O)Cn1nnc(-c2ccccc2Cl)n1"]
["84811440","COC(=O)C(CC(C)C)n1c(=N)[nH]c2c(C)nn(C)c21"]
["100199762","CC1=C(C)[NH+]([O-])c2c(C)c3c(c(C)c2N1[O-])[NH+]([O-])C(C)=C(C)[N+]3=O"]
["97465648","CC1=C(C)[NH+](C(C)C)C(S(=O)(=O)[O-])=[N+]1C(C)C"]
["96999744","COc1ccc2c(c1[N+](=O)O)[n+](=O)c1ccccc1n2[O-]"]
["96604260","Cc1c(C)[n+](=O)c(-c2c(C)n([O-])c(C)c(C)[n+]2=O)c(C)n1[O-]"]
["51415498","COC1=C(C)[N+]([O-])=NC1(C)C"]
["96966332","CCOc1c(C)n([O-])c2cc(OC)ccc2[n+]1=O"]
["68832792","CC1=[N+](C)CC(C)N1C.CC1=[N+](C)CC(C)N1C.Cc1ccc(C(=O)[O-])c(C(=O)[O-])c1"]
["149040782","CC1(C)CN(Cl)C(=O)[NH+]1[O-].[Cl-]"]
["25437632","Cc1cc2c(cc1Cl)[n+](=O)c(O)c(C#N)n2[O-]"]
["192987236","COc1c(C)c(C)cc2c1C=C(CO)[N+](=O)C2=C1C=c2cc(C)c(C)c(OC)c2=C(C)N1[O-]"]
["91438546","CC1=C(C)[NH+](C(C)C)C(Br)N1C(C)C.O=[N+]([O-])[O-]"]
["100862691","CO[C@@H](C1=CC=CC(=C2C=CC=C([C@H](OC)C(C)(C)C)[N+]2=O)N1[O-])C(C)(C)C"]
["70097309","O=C1C(=NNc2ccc3cc(OS(=O)O)ccc3c2)C(SOOO)=Cc2cc(N=C(O)c3ccc(Nc4nc(=NCCO)[nH]c(=NCCO)[nH]4)cc3)ccc21"]
["62399780","O=S(=O)(O)Oc1ccc(CCN=C(O)CCc2ccc(OSOOO)cc2)cc1"]
["91703302","C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3c[nH]c(=NCCN4C[C@@H](C)O[C@@H](C)C4)nc32)cc1"]
["147923237","COC(=O)c1ccc(NC(O)=N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1"]
["187223455","COc1ccc(-c2nc(SCCC(C)C)[nH]c(=NCCO)c2C#N)cc1"]
["14719777","CCN(CC)S(=O)(=O)c1ccc(C(O)=Nc2ccc(N3CCCC3=O)c(C)c2)cc1"]
["77994600","CC(=NNC(=O)c1ccc(N=C(O)c2ccc(Cl)cc2)cc1)c1cccc(-n2cnnn2)c1"]
["46142806","CO[C@H]1CN(C)C(=O)c2ccc(N=C(O)C3CC3)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C"]
["32572624","COC(=O)[C@H](CC(C)C)N=c1[nH]c(Oc2ccc(OC)cc2)nc(=NCc2cc(F)cc(F)c2)[nH]1"]
["30715350","COc1ccc(-c2ccc(C(O)=Nc3ccc4c(c3)OCC(CN3CCCC3)=C4)cn2)cc1"]
["132310279","N#Cc1ccc(N=C(O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1Cl"]
["179641706","CCN1CCN(Cc2ccc(N=C(O)c3ccc(C)c(-c4ccc5nc(C)sc5n4)c3)cc2C(F)(F)F)CC1"]
["97787642","N#Cc1c(C#N)/c2sc1=C=C=C=C=c1cc/c(s1)=c1\\cc/c(s1)=c1/sc(c(N)c1N)=C=C=C=C=c1cc/c(s1)=c1\\cc/c=2s1"]
["48660516","CSc1ncc2c(=O)n3c(sc4ccccc43)c(C#N)c2n1"]
["87524057","CS(=O)(=O)Cc1ccc(N)c(C#N)c1F"]
["29158022","COC(=O)C(CCSC)Nc1sc(C(=O)c2coc3ccccc23)c(N)c1C#N"]
["65116744","N#Cc1c(N)cc(F)cc1Br"]
["162948598","N#Cc1ccc2cc(O)sc2c1C#N"]
["162886731","N#Cc1ccc2c(CO)csc2c1N"]
["5782061","COc1cccc(OCc2nnc(SCc3cn4ccccc4c3C#N)n2N)c1"]
["34615319","CCc1sc(C)c(-c2ccc(Cl)cc2)c1C#N"]
["9209819","C[C@@H]1CCc2c(sc(/N=C/c3ccc(Br)s3)c2C#N)C1"]
["91383287","CSc1sc(C(=O)c2ccccc2F)c(N)c1C#N"]
["97030409","N#Cc1c(N)c(C#N)c(-c2ccccc2Cl)c2c1CCCCCC2"]
["176027122","CC.[B]=C1C(Br)=C(SC2C(=[B+])C(Br)=C(S[C-]=C)C(Br)=C2[B+]C)C(Br)=CC1S[C-]=C"]
["162699988","Cc1cc(F)c2c(c1C)C(N)CCC2"]
["196401732","[B]=C1C([O-])C(C2C=C(C)CCC2C)=C(O)C(=[B+])C1C([B+])([O-])CCCC"]
["184167876","CC(c1c#ccc(Br)c1O)C1CC1"]
["174573619","C=C1CCC2CCC(CC)=CC2N1.CC"]
["99098290","CC.CC.Cc1ccccc1N=C1NN(C)C(=O)C1Sc1ccccc1C"]
["83073111","O=C(SC1=NNC(=C2C=C(Br)C(Br)=N2)O1)c1ccccc1"]
["186026815","C=C1CCCc2ccc(C)cc2N1C1C=CN(C/C(C)=C/C)CC1"]
["164737072","COc1cc(Br)c(Cl)c2c1NC(C(C)C)CC2"]
["113327102","CCOC(=O)C1CCc2sc(=NCCSC(F)(F)F)[nH]c21"]
["184012006","C=C(C)[C@@H]1CCC(C)=C[C@@H]1N=[N+]=[N-]"]
["28572388","CC(O)=Nc1ccc(-c2cnc3ccc(=NC4CCC(O)CC4)[nH]n23)cc1"]
["149779904","C=CC1C(c2c[nH]c3c(=[NH2+])[nH]cnc23)NC(CSCCCn2cnc3c(C4NC(CSCCC[n+]5c[nH]c6c(C7NC(CSCC)C(O)C7O)c[nH]c6c5=N)C(O)C4O)c[nH]c3c2=N)C1OC"]
["MCULE-2230199087","CCCCN(C)Cc1cc(=O)c(OCC=C(C)C)cn1CC(C)O"]
["56113921","Cc1nc[nH]c1CSCCN(CCCCCCCCN(C)C(=N)NC#N)C(=N)NC#N"]
["22181938","COc1ccc([N-]C(=O)CCSc2nc(Cl)nc3[nH]cnc23)cc1"]
["8979661","CCCCn1cnc2c3cc(F)ccc3n(C)c2c1=O"]
["33160606","CCOC(=O)CCCn1cnc2c(Cl)[nH]c(=N)nc21"]
["68276300","CCCCN(c1ccc(N(C)S(=O)[O-])cc1)c1nc(=NC2CCC(O)CC2)[nH]c2c1ncn2CC"]
["29871419","N=C(O)c1ccc(N2CCOCC2)nc1CCCCn1cnc2c(=N)[nH]c3ccccc3c21"]
["173607835","CCCCOc1ccc(-c2ccc(OC)c(/C=C/C(=O)[N-]c3ccc([S@@](=O)Cc4c[n+](CCCCOc5ccc(-c6ccc(OC)c(/C=C/C(=O)Nc7ccc([S@](=O)Cc8c[nH+]cn8CCC)cc7)c6)cc5)cn4CCC)cc3)c2)cc1"]
["32558867","CSC[C@@H]1CN(Cc2c[nH]c3c(=N)[nH]cnc23)C[C@@H]1O"]
["MCULE-3660240563","CCSCc1cc(=O)c(OCC(=O)OC(C)C)cn1CCCn1ccnc1"]
["153267506","N=c1[nH]cnc2c([C@H]3N[C@H](CSCCO)[C@@H](O)[C@@H]3O)c[nH]c12"]
["99003846","C=C[Si](C)(C)CCCCC(F)(OC(F)(F)C(F)(F)OC(C)(F)C(F)(F)OC(C)(F)CC[Si](C)(C)OC(C)[SiH](C)C)C(F)(F)OC(F)(CC[Si](OC(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F"]
["61545656","C=CCS[C@H]1N=C(O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)CC"]
["70270303","CCCCCCC(F)(F)C(C=CC1C(OC2CCCCO2)CC(O)C1CCCCCCCCC(=O)OC(C)C)O[Si](C)(C)C(C)(C)C"]
["172418816","CC=COCCC[Si](C)(C)OC(C)C"]
["78681606","CCO[Si](C)(CCCN(C)C(C)(C)C)OC(C)[SiH](C)C"]
["78810823","CC(C)C(C)C(C)C(C)C(C)[SiH](O[Si](CCCc1ccc(CO[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@@H]2C2COC(C)(C)O2)cc1)(OC(C)(C)C)OC(C)(C)C)C(C)C(C)C(C)C(C)C"]
["99849688","C=C(/C=N\\C(C)Cl)C1N=C(C2=NOC(O)N2)N=C2N=C(C3(OC)CCC3)N(CC3CCC(C)CC3)[C@H]21"]
["79179780","C=C[Si](C)(C)CCCNC[Si](C)(C)C(C)(C)C"]
["27305357","CNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1.O=C(O)/C=C/C(=O)O"]
["182601542","C=COC(CC[Si](C)(C)OC(C)OC)(OC=C)OC=C"]
["78682131","CCO[Si](C)(CCCN(c1ccccc1)C(C)(C)C)OC(C)[SiH](C)C"]
["73970513","C=CN(C1=C(C)CC(c2cn[nH]c2)C=C1)c1cc(OC(C)c2ccccc2C(F)(F)F)c(C(N)=O)s1"]
["195867930","CCc1c2ccc3c(c2cc[n+]1C)CC[SiH]3C"]
["46150470","CCNCc1ccoc1CN(C)C(C)c1ccc(Cl)cc1"]
["48419273","CCc1ccc(C(C)NC(=O)C2=NN=C(O)CC2)cc1"]
["65091072","COc1ccc(OCC2CCCC2)c(CNCC(C)C)c1"]
["90154461","CNC(C)Cc1ccc2c(Cl)n[nH]c2c1"]
["9720109","CC(C)Cn1cc2c3c(cccc31)CN(C(=O)COc1ccccc1)CC2"]
["197723895","[2H]C(C)(C)c1cc[n+](C)c(-c2c(C)ccc3c2oc2c(-c4ccc(C5CCCCC5)cc4)c(C#N)ccc23)c1"]
["42109144","CCCCCCCc1c(C(=O)O)cc[n+](C)c1C"]
["66202369","CC1(C)C(O)=NC(C2CC2)C(=O)N1Cc1ccccc1Cl"]
["105609073","CCN[C@@H](C)[C@@H](C)N1Cc2ccccc2C1"]
["165948645","CCc1ccc(-c2nc(CSc3n[nH]c(CC)n3)cs2)cc1"]
["112377115","COC1(CN)CCc2ccc(Cl)cc2C1"]
["180709491","Cn1cnc[n+]1-c1cccc2[n+]1-p1n3c(cccc3[n+]3cnc[n+]1-3)O2"]
["28389305","C[N+]1=CC=CC(=O)C1=CNN=C([O-])Nc1cccc2ccccc12.Cl"]
["86273960","CCCc1c(N)ncnc1Nc1cccc(C)c1C"]
["22257161","CCn1ccc([C@H](C)NCc2ccco2)n1"]
["21013123","CN1CCN(C(=O)c2ccc(CN3CCc4c(c(C(=O)[NH2+]c5ccccc5)nn4C)C3)cc2)CC1"]
["99235573","CCOC1=C/C(=C\\NNc2ncnc3c(C)csc23)C=CC1=O"]
["172083470","Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1n(C)cc[n+]1[CH-]c1c(C(C)C)cccc1C(C)C"]
["81908510","CCn1c(SCC(O)=Nc2cccc3ccn(C)c23)nnc1-c1ccoc1"]
["100231035","CCC[n+]1cncn1C"]
["18454199","COc1c(Cl)cccc1N=C(O)N[C@H](Cn1cncn1)c1ccccc1"]
["172073289","[C-]#[N+]c1c(N)ncnc1N[C@H](C)C1=CC2[C+]=CC=CN2C([O-])=C1c1cccc(F)c1"]
["61277225","CN1C=C2Oc3c(F)c(F)c(F)c(F)c3N=C2N=C1S"]
["172634650","CC(C)C([Si-]=C=C=C1c2c(O)cc(O)cc2C=C[C+]1F)(C(C)C)C(C)C"]
["111890335","OC(=NCC(F)(F)C(F)F)c1ccc(O)cc1O"]
["124614298","CC(NCCOc1ncccc1Cl)c1cc(F)ccc1O"]
["29388750","CCC(N=C(O)OC(C)(C)C)C1(c2ccc(Br)cc2)CCC(Oc2cc3ccnc(O)c3cc2Cl)CC1"]
["1692353","CN(C(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1)C(C)(C)C#N"]
["88512229","CC(NN(C)C)c1ccc(O)cc1O"]
["95589028","CC(CCS(C)=O)NCc1cc(O)cc(F)c1"]
["153205884","O=C1c2c(O)cc(O)cc2OC[C@@]1(O)Cc1ccc(O)cc1"]
["55321038","Oc1cc(O)c2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)NCC3"]
["145031891","COc1cc(C2(C(C)N)CC2)cc(C(F)(F)F)c1OC"]
["163251402","C[C@@H](N)[C@H](O)c1ccc(C(F)(F)F)nc1"]
["91311423","Oc1cc(O)c(-c2c(O)cc(O)c(-c3c(O)cc(O)c(-c4c(O)cc(O)c(-c5c(O)cc(O)cc5O)c4O)c3O)c2O)c(O)c1"]
["187510888","CC(C)C(C(=O)OC[C@@H](NP)C(=O)OP)N(C)C(=O)[C@H](CSC[C@@H](C(=O)N(C)[C@H](C(=O)OC[C@@H](NP)OC(=O)P)C(C)C)N(C)C(=O)[C@H](C)NP)N(C)C(=O)[C@H](C)NP"]
["172234980","C=CC(=O)N(C)[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C"]
["132345600","CCc1oc(C(=O)N(C)C(C)COC)cc1C"]
["19286597","COCCOC(=O)[C@H](CC(=O)[O-])NCc1ccco1"]
["147998581","COCCN(CC(=O)N(C)C)C(=O)C(C)CN.Cl"]
["66919423","CC(N(C)c1nc(-c2ccccc2)c(CO)s1)C(C)(C)C"]
["42248570","CCOC(=O)N(C)CC(N)COC"]
["MCULE-9722093175","COCCN=C(O)C(C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["117591953","CC(C)C(C(=O)O)N(C)C(=O)CC1CC1"]
["153033081","CC(C)CC(C(=O)N(C)C(C(=O)N(C)CC(O)=NCC=O)C(C)C)N(C)C=O"]
["66859012","CC(=O)OC(C)CC#CCN1CCOCC1.Cl"]
["144062066","COCC(COC)OC(=O)C(C)CSc1ccc(F)cc1"]
["195544423","C/C=C\\C=C=C1SC(SSC2=NC(C3=C=C3)C(=C=C/C=C\\C)S2)=NC1/C=C\\CC"]
["58045976","CNC(CCc1ccn(C(C)C)n1)C1CC1"]
["MCULE-8936817554","CCCc1nc2sc(=Cc3ccsc3)c(=O)n2n1"]
["78105839","CC/C=C/c1cc(=N)[nH]c(C)n1"]
["180140257","C/C=C\\C=C1\\C(=O)C=C=N\\C1=C(\\C)CC"]
["174749435","C=C/C=C\\C(\\C=C\\CN1CCN(c2nc(Cc3ccc(C)cc3)ns2)CC1)=C/C"]
["101622832","CCC=CCCc1cn(C2CCCN(c3ncccn3)C2)nn1"]
["166426486","CCC1C(C)C(CO[PH](=O)O)OC1N1C=CC(N)N=C1O"]
["167354344","CC[C@@H]1COC(c2ccc(-c3cc(-c4cc(-c5ccc(C6=N[C@H](CC)CO6)cc5)c([Si](C)(C)C)s4)sc3[Si](C)(C)C)cc2)=N1"]
["160837044","CCC1CN(CC)CCN1C(=O)c1ccc2nnn(C)c2c1"]
["187899917","C=C(C(=O)OC)[C@H]1C[C@H]2c3[nH]c4cccc(OC)c4c3CCN2C[C@@H]1CC"]
["172518934","CCC=CC1OC1C1=CO1"]
["97866192","C1=[N+]C2=NC(=N1)[N]c1ncnc(n1)[N]c1ncnc(n1)[N]C1=[N+]C=[N+]C(=N1)[N]C1=NC(=[N+]C=[N+]1)[N]2"]
["81354859","c1ccc2c(c1)=Nc1ncnc(n1)N=2"]
["90343563","O=C1OC(c2ccccc2)=NC1=Cc1cnc2ccccc2n1"]
["62225902","O=C1OC(c2cccc(Cl)c2)=N/C1=C\\c1cnc2ccccc2n1"]
["4950121","COc1cc(C2=N/C(=C\\c3csc(C)n3)C(=O)O2)cc(OC)c1OC"]
["60679292","COc1cc(OC)cc(C2=N/C(=C\\c3cnc4ccccc4n3)C(=O)O2)c1"]
["195822059","COc1ncnc(NC(C)(C)C)n1"]
["90343718","CCOc1ccc(C2=NC(=Cc3cnc4ccccc4n3)C(=O)O2)cc1"]
["90343598","Cc1cccc(C2=NC(=Cc3cnc4ccccc4n3)C(=O)O2)c1"]
["44848697","COC1=C/C(=c2\\cnc3n2NC=C(c2ccncc2)C=3)C=CC1=O"]
["76678096","O=C1C=CC2C(OCCCNCCO)=CC=CC2=N1"]
["82538120","N=c1ncnc2[nH]c(=C3C=CC(=O)C=C3)c(=C3C=CC(=O)C=C3)nc1-2.O=S(=O)(O)O"]
["180063667","II=c1cnc2[n-]cc[n+]2[cH-]1"]
["184316695","Oc1cc(I)cc(=II)[cH-]1"]
["178240085","CI=c1cnc(N)c(F)[cH-]1"]
["175711600","Cc1ncc(I)[n-]1.[Al+]"]
["154889701","Cc1c[n+](C)c(C)cn1.I"]
["195749283","Cc1ncc(=ICc2cnc(I)nc2)[cH-]n1"]
["184492845","CCCCI=c1cnc2c(C(CC)CI)c[n-][n+]2[cH-]1"]
["55346914","Cc1c[n+](C)ccn1"]
["180257758","II=c1cncc[n-]1"]
["156634626","Cc1ccc(N[C@@H](C)C[C@@H](C)Cl)nc1"]
["46082103","Cc1c[n+](C)c(C)cn1.[Cl-]"]
["168537943","Cc1nn2c(c1C)NCCC2c1ccc(F)cn1"]
["170856635","C=CSC1=C(N)N=C(/C(Cl)=C2/Oc3scnc3N=C2CCl)CO1"]
["MCULE-1987480734","C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)C1c1ccc2c(c1)OCCO2"]
["87922692","Nc1ncnc2c1CCC(O)=N2"]
["184152879","ClCc1cnc(OC2CCCC(Cl)C2)s1"]
["167081713","COCc1ncsc1C(O)=NC1(C(=O)O)CCCCCC1"]
["MCULE-9720574852","C=CCN=C(O)C1=C(N)Oc2c(c(C)nn2C)C1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1"]
["7350605","C=CCN=c1[nH]c(-c2ccc3c(c2)COC3)cs1"]
["170812663","C=C/C=C(\\C=C)C1=NN(C(=O)CCl)C(c2ccccc2)C1"]
["143806444","Cc1ncsc1CN(C)C(=O)C1=COCCO1"]
["172575270","C=CC(=O)N1CCN(C2CN(c3cc(N4CCC5(CC4)OCc4ncsc45)nc(C(F)(F)F)c3C#N)C2)CC1"]
["80781659","CCCc1nc(COC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)cs1"]
["93046183","C=C(Cl)CNS(=O)(=O)c1cc(C(=O)O)cs1"]
["169856956","C1=c2ccc(-n3nc4ccc(-n5c[n+]6ccccc6n5)cc4n3)cc2=N[NH2+]1"]
["MCULE-8298391778","CC(C)Cc1nn(-c2cccc(Br)c2)cc1C#N"]
["180551999","CCOc1c(-n2nc3ccc(Cl)cc3n2)cc(C)cc1C(C)(C)C"]
["157756382","CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.c1cc[nH]c1"]
["10808312","COc1ccc(-n2nc3cc(C)c(N=C(O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1"]
["68883098","CNC(=O)c1ccn(-c2ccc(C(C)O)c(Cl)c2)n1"]
["14259190","Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)o4)cc3n2)cc1Cl"]
["14956272","Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1N=C(O)Cc1ccccc1"]
["175332788","C=CCc1cccc(-n2nc3ccccc3n2)c1"]
["76393692","COc1c(Br)cc(Br)cc1C=CC(O)=Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C"]
["45839492","C#CC(C)(C)c1cc(C(C)(C)CC)cc(-n2nc3ccccc3n2)c1O"]
["61661063","Cc1cc(Br)cc(Br)c1OCC(O)=Nc1ccc2nn(-c3ccc(F)cc3)nc2c1"]
["195607127","CC=S(C[C@H](OC)c1ncc(C)c(CC[I+]C2CC2COc2cccc(-c3nnc(NS(=CC)C[C@@H](OC)c4ncc(C)cn4)n3-c3c(OC)cccc3OC)n2)n1)NC1=N[N-]C(=C2C=CC=C(OC)[N-]2)N1c1c(OC)cccc1OC"]
["186611480","COc1ncnc(OC)c1-n1c(NSC(C)C(C)c2ncc(C)cn2)nnc1-c1nc(C)cs1"]
["29507151","COc1ccc2ncc3c(c2n1)C(CN1CCC(NCc2cc4c(nn2)OCCO4)CC1)CO3"]
["172490703","[2H]C([2H])(C)Oc1cc(C(=O)OC)cc2c1nc(CN1CCC(c3cccc(OC([2H])([2H])c4ccc(C#N)cc4F)n3)CC1)n2C"]
["115636625","CCCCC1CCC(C(=O)Nc2c(C(=O)OCC)cnn2-c2cc(C)c3cccc(OC)c3n2)CC1"]
["176412243","CNC(CSNc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1"]
["163545640","COCC(COC)n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1[C@@H]1CC[C@H](C)O1"]
["191547930","COc1cccc(OC)c1-n1c(-c2ccccc2)nc(O)c(NS(=O)(=O)CCc2ncc(C)cn2)c1=O"]
["29523815","CCCCc1ncc(/C=C2\\C(=O)N(CC(=O)O)c3c(OC)cccc32)n1Cc1ccc(C(=O)OC)cc1"]
["190045880","CCCn1cnnc1CNc1cc(C(=O)OC)ccc1N=C(O)Cc1ccc(-c2cccc(OCc3ccc(Cl)cc3F)n2)c(F)c1"]
["163545631","COc1cccc(OC)c1-n1c(NS(=O)(=O)C(C)C(C)c2ncc(C)cn2)nnc1[C@H]1CNCCO1"]
["123849896","COc1ccc(C)cc1-n1ccc(C(=O)NC(C#N)c2ccccc2Cl)n1"]
["163541662","CCC(COC(C)C)(COC(C)CCC(C)OC(CNC(C)C)COC(C)C)OC(C)CCC(C)OCC(C)(COC(C)C)OC(C)C"]
["47150259","CCOCC(C)NCC(O)COC(C)C"]
["92400998","CCCNC(CCC(C)OC)C1CCCCC1CC"]
["119958492","COCC(CNC(C)C)OCC(F)(F)C(F)F"]
["111134158","CCC(C)(C)OCc1ccc(CNC(C)C)cc1Br"]
["47596937","COCC(C)OCC(C)(C)CS(N)(=O)=O"]
["85732150","CCNC(COC(C)C)c1ccc(Cl)cn1"]
["85081515","CCC(O)(COC(C)C)C(C)C"]
["95364251","CNC(COC(C)C)C1OCCC1C"]
["170420437","CC(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)C)OC(C)(C)CCOC(C)C"]
["31157750","CC(C)NCC(O)CCOc1ccc(COCCOC(C)C)cc1"]
["182328476","Cc1ccc(S(=O)(=O)OC(CNC(C)C)COc2ccc(CCc3cc[nH]n3)cc2)cc1"]
["76239345","CC1=C(C)/C2=C3\\CCC/C(=c4/[nH]c(c(C)c4C)=C=c4[n-]/c(c(C)c4C)=C4\\[CH+]/C(=C5\\[NH2+]C(=CC1=[NH+]2)C(C)=C5C)CCC4)C3"]
["45994777","CC1=C(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)CC2=C1CCCC2"]
["99765228","CC1=NC=C(c2cc3c(s2)/C(=C2\\C=c4c(CC(C)(C)O)cc(CN(C)C(C)C(C)(C)C)cc4=N2)NN3)C1"]
["34348128","CCC1=C(C)C2=CC3=C=C(C=C4[NH2+]C(=CC5=[NH+]C(=C[C]1[N-]2)C(CC)=C5CC)C(CC)=C4C)C(=O)N3C.[Ag+2]"]
["167363922","C=C1C2=C(C)C3=C4C5=C(CC3)C(C)C3C(=C)c6c(C)c7c8c9c6C3=C5C3(C4C2C(=C)/C1=C(/C)C(C=C7)C8)C9C(C)(C)[C@H]3[C@@H](OO)C(=C)C"]
["80582194","Cc1ccc2c(c1C)=[NH+]C1=C3NONC3CCC=21"]
["56712888","CC1=C(C=C2C(=O)Nc3cc(F)ccc32)CC2=C1CCCC2"]
["93576813","Cc1ccc2nc(=NC(CN)C3CCCCC3)[nH]n2c1"]
["167363923","C=C1C2=C(C)C3=C4C5=C(CC3)C(C)C3C(=C)c6c(C)c7c8c9c6C3=C5C3(C4C2C(=C)/C1=C(/C)C(C=C7)C8)C9C(C)(C)[C@H]3[C@H](OO)C(=C)C"]
["49379733","CC1=C(C=C2C(=O)Nc3ccc(C(F)(F)F)cc32)CC2=C1CCCC2"]
["58345293","CC1=C2CCCC2=C(OC2NCCCC2NC(=O)C(=S)NCC2CCCCC2)CC1"]
["101914272","COc1cc(-c2cc(C(=O)N3CCN(C(=O)c4cc5n(n4)CCCC5)CC3)n[nH]2)cc(OC)c1OC"]
["182799172","CCOC1=C(OCC)C(C(=C=C2C=CC=C(C3C(OCC)=C(OCC)c4c(OCC)cccc43)C2C2C(OCC)=C(OCC)c3c(OCC)cccc32)C2C(OCC)=C(OCC)c3c(OCC)cccc32)c2cccc(OCC)c21"]
["63954176","CCOC(=O)c1ccc2c(c1)sc(=NC(=O)c1cc3cccc(OCC)c3o1)n2CCSC"]
["22719995","CCOc1ccc(Cc2[nH]nc3c2C(=O)CC(c2ccccc2)C3)cc1OCC"]
["8729982","CCCCCOc1ccc(/C=C(\\C#N)C(O)=Nc2ccccc2O)cc1OC"]
["130049008","CCOc1cc(C=CC(=O)N2CCC3C(CCCN3C3CC3)C2)ccc1O"]
["113343043","CCNCc1cccc(OCC)c1OCCOCC(C)C"]
["23093890","CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1cccc(OC)c1OC"]
["84740174","CCc1ccc(OCC2COc3ccccc32)c(N)c1"]
["MCULE-3206941765","CCOc1cccc(F)c1-c1ccc(OC)cc1NC(=O)c1ccc(F)cn1"]
["MCULE-8795758642","CCOc1cccc(F)c1-c1cnc(N=C(O)c2ncccc2F)nc1C"]
["MCULE-2327338634","CCOc1cc(-c2c(C)cccc2C(=O)N2CCN=C2C)ccc1F"]
["149175977","CCOc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)C2c2ccco2)cc1OCC"]
["184632385","C1=CC2C=c3ccc4cc5c6ccc7cc8c(cc75)C=CC85C=c7ccc8cc9c(ccc%10cc(c1cc%109)C2=c3c4c6)cc8c7=C5"]
["174609917","CC1(C)C=CC2=C(C1)CC(C)(C)c1c2ccc2c(Nc3ccc4ccccc4c3)cccc12"]
["54528982","CS(=O)(=O)c1cccc2cc3c(cc12)C=CC(=[N+]=[N-])C3=O"]
["168233705","C=c1cc2c3c4c(ccc3c1)=c1ccccc1=CC4C=C2"]
["51074417","C/C=C/c1ccc2c(ccc3cc4c(ccc5cc(/C=C/C)ccc54)cc32)c1"]
["171184335","OC1C=Cc2cc(I)ccc2C1(F)F"]
["185481893","O=C1c2cc3ccc4cc5c6ccccc6cc6ccc7cc(c2C=CC1C(Cl)Cl)c3c4c7c65"]
["183981756","COc1ccc2c(c1)C(OC(=O)CBr)C=C2"]
["188827829","CC1(C)C=Cc2cc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)cc3)ccc21"]
["75654539","O=C1c2ccc3cc4ccccc4cc3c2C=CC1O"]
["106947424","COc1ccc2c3c(ccc2c1)CCN[C@H]3c1cncn1C"]
["101454227","CC1(C)c2ccccc2-c2cc3ccc4ccc(Cl)cc4c3cc21"]
["174686100","C[Cl+]N1CCN(c2ccc3nc(C4=COc5ccc(C)cc5C4[O-])[n-]c3c2)CC1"]
["196580543","Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1-c1cn(C[C@H]2CCCCO2)nn1"]
["160390633","Cc1ccc2c(c1)CCC(C(=O)N1CCC(c3nc4ccccc4[nH]3)CC1)O2"]
["138148720","CCn1cc(N=C(O)CCN2CCN(c3cccc(C)c3)CC2)cn1"]
["27671778","Cc1ccc2nc(N3CCS(O)(O)c4ccccc4C3)cc(N3CC(N)C(F)C3)c2c1"]
["MCULE-2355673772","CCc1ccc(Nc2cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)nc(-c3cccnc3)n2)cc1"]
["17339368","Cc1ccc2[nH+]c([C@H]3CCCN3Cc3c(C)noc3C)[nH]c2c1"]
["61885945","Cc1ccc2nc3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)[nH]cc-3c2c1"]
["102098389","CCC1(CC)C[C@H](NS(=O)(=O)c2cc(C)ccc2C)c2ccccc2O1"]
["48951894","Cc1ccc2nc(CN3CCc4sccc4[C@@H]3C3CC3)cc(=O)n2c1"]
["MCULE-9892416005","COCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1"]
["158972679","Cc1nc2ccc(C(O)=N[C@@]3(CO)COc4ccccc4C3)cc2nc1C"]
["50916988","CB1N2C3=NC4=[N+]1C(=NC1=NC(=[N+]=C2C2CC5CC(S(=O)(=O)[O-])CCC5CC32)C2CC3CC(OS(=O)[O-])CCC3CC12)C1CC2CCC(S(=O)(=O)[O-])CC2CC41"]
["97306227","C/C1=C2\\CN(S(=O)(=O)c3ccc(C)cc3)[C@H](C3CCCCC3)[C@H]2CC/C=C\\C1"]
["150370574","CC(C)S(=O)(=O)c1cncc(N2CCOc3ccc(OC4CCN(C(=O)C5CCS(=O)(=O)CC5)C4)cc32)c1"]
["101886655","CCOc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C)n3)C2)cc1"]
["33101197","C=C1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]2[C@H](C)[C@@H](O)C[C@@H]12"]
["199971121","Cc1ccc(S(=O)(=O)OC2CCC(n3cc(Br)cn3)C2)cc1"]
["MCULE-7833402765","Cc1[nH]nc(C2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)c1C"]
["68589840","O=S(=O)(c1ccc(/C(=N\\O[C@@H]2CC[C@@H](O)C2)C(O)=Nc2nc3ccc(OC4CCNCC4)nc3s2)cc1)C1CC1"]
["187810206","C=CCO[C@H]1/C=C/[C@H](OC)[C@@H]2CC[C@H]2CN2Cc3ccc(Cl)cc3CCCCOc3ccc(cc32)[C+]([O-])[N-]S(=O)C(N=C(O)c2cn(C)nc2OC)C1C"]
["82936369","COc1ccc(CCN=C(O)C2CNC3CCC(S(=O)(=O)N4Cc5ccccc5C4)CC3C2=O)cc1OC"]
["193617483","CCO[C@@H]1CC[C@@H](O/N=C(\\C(O)=Nc2cn(C)c(=O)cn2)c2ccc(S(=O)(=O)C3CC3)cc2)C1"]
["162045040","C=C[C@@H]1C[C@@]1(N=C(O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)N=C(O)O[C@@H]1CCC[C@H]1CCCCCN1C(=Cc3ccccc3S1(=O)=O)O2)C(O)=NS(=O)(=O)C1CC1"]
["180228999","C1=CC(c2ccc(N(C3=CC=C[C-](n4ccc5c4=C=CC=C=5)[N-]3)c3[c-]c(C4C=CC=C5OC=C=C54)ccc3)cc2)=CC2C=CC=C(c3[c-]c(-n4c5[n-][c-](-n6c7c(c8ccccc86)=C=CC=C=7)ccc=5oc5ccccc54)ccc3)C=12.[Ag].[Ag]"]
["179254201","CC1C=CC(N(c2ccc(-c3ccc4c(c3)oc3nc(-n5c6ccccc6c6ccccc65)c(-c5ccc(C(C)C)cc5)n34)cc2)c2ccc(-c3c(-n4c5ccccc5c5ccccc54)nc4oc5ccccc5n34)cc2)=CC1"]
["194559369","CC(C)(C)C1=C[C-](n2c3c(c4ccccc42)=C=CC(Oc2[c-]c(N4CN(c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5cc(C(C)(C)c6ccccc6)ccc54)ccc2)=C=3)[N-]C=C1.[CH3-].[Pt+4]"]
["481173","CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CN=C(O)c5ccccc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O"]
["184627017","C1=CCOC=1[C-]1C=c2c(n(-c3[c-]c(-c4ccccn4)ccc3)c3ccccc23)=C=C1c1nc2ccccc2o1.[Pt+2]"]
["187070573","CC(C)(C)C1=C[C-](n2c3c(c4ccccc42)=C=CC(Oc2[c-]c(N4CN(c5cccc(C(C)(C)C)c5)c5ccc(-c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)cc54)ccc2)=C=3)[N-]C=C1.[Pt]"]
["198444522","Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6cc7c(cc65)nc5n7CCCC5)c4)cc32)ncc1-c1ccc(-c2ccccc2)cc1"]
["173567376","Cn1c(C2=C=c3c(c4ccccc4n3-c3[c-]c(-c4ccccn4)ccc3)=C[C-]2C2=C=CCS2)nc2ccccc21.[Pt+2]"]
["187069047","CC(C)c1cccc(C(C)C)c1-c1cc(OC2=C=c3c(c4ccccc4n3[C-]3C=C(C(C)(C)C)C=C[N-]3)=C=C2)[c-]c(N2CN(c3ccc(-c4ccccc4)c(C(C)(C)C)c3)c3ccccc32)c1.[Pt]"]
["200091430","CC(C)(C)c1ccnc(-n2c3c(c4ccccc42)=C=CC(Oc2[c-]c(N4CN(c5c(-c6ccccc6)ccc6c5-c5ccccc5C6(C)C)c5ccccc54)cc(C4=C[CH-][N-]C=C4)c2)=C=3)c1.[Pt]"]
["196856436","CC(C)(C)C1=C[C-](n2c3c(c4ccccc42)=C=CC(Oc2[c-]c(N4CN(c5cccc6oc7ccccc7c56)c5ccccc54)cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c2)=C=3)[N-]C=C1.[Pt]"]
["194559622","CC(C)(C)c1cc(N2CN(c3[c-]c(N(C4=C=c5c(c6cc(-c7ccccc7)ccc6n5[C-]5C=C(C(C)(c6ccccc6)c6ccccc6)C=C[N-]5)=C=C4)c4ccccc4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]"]
["179110917","C1=N[N+](C([N+]2=CCC=N2)([N+]2=CCC=N2)[N+]2=CCC=N2)=CC1"]
["74703600","FC(F)(F)C1=CSC[N]1"]
["172362020","ClC1=NCCC=N1"]
["24995903","[CH]1CC=NC1"]
["97655826","CC(C)[N+]1=C=NC=C1"]
["174143685","C[n+]1ccn(S(=O)(=N[Si](C)(C)C(C)(C)C)C2CC2)c1"]
["57496618","CC1CS(=O)CC=N1"]
["103034338","O=P([O-])(O)C(O)(C[N+]1=CN=CC1)P(=O)([O-])O"]
["63665043","O=[N+]1N=CCS1"]
["73635123","[NH]C1N=CCS1"]
["185378536","C1=N[NH+]=CC1"]
["149983748","C1=N[n+]2ccccc2C1"]
["161694186","C1CC[P+]2(C1)OOOO2"]
["56997294","O=[P+]1CCCCO1"]
["185601187","CC1COP(N2CCCC2)OC1C"]
["178891600","[CH2-]CC1[CH-]C1.[CH3-].[Cs+]"]
["180726862","C[Si]12OCCCO[Si](C)(O1)C(O)CC2O"]
["178026567","C[Si](C)(C)CNC=C1SCCS1"]
["108174598","NCC1=CC2=CC(Cl)=CCC2=N1"]
["91106851","O=CC1=NC(=O)C2CCCNC2=C1"]
["60932770","C[P+]1(Cl)CCCCC1"]
["59288639","C1CC[N+]2(C1)N[C@H]1C[C@H]3N[N+]4(CCCC4)[C@H]4C[C@@H]2[C@@H]1[C@@H]34"]
["83952295","C1SCC2C3CSCC2C13"]
["200455481","C=CC[P+]1(C)CCCC1.[Cl-]"]
["174734331","CCc1ccccc1Sc1ccccc1CN=c1[nH]c2c(c(=N[C@H]3c4ccccc4C[C@H]3N)[nH]1)=CCCC=2"]
["130508089","OC(=NC1C2Cc3ccccc3C21)C1CCCCC1"]
["166797182","O=[N+]([O-])CC(c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)[nH]c2c1=CCCC=2"]
["122947620","CS(=O)(=O)Nc1ccc(O)c(C(O)=NCC2Cc3ccccc32)c1"]
["184003321","CCCN(CCC)C1Cc2ccccc2OC1N1CC=CO1"]
["134058","CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O"]
["143601142","CCOC(=O)N1CCC(N=C(O)CN2Cc3ccccc3N(C)CC2C)CC1"]
["7879722","Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1F)C1=C(CCCC1=O)O2"]
["103341356","CC[C@@H](C)[C@H](N=C(O)N1c2ccccc2C[C@H]1C)C(=O)O"]
["199210860","CCC1(C)CC(=O)N(C(c2cncnc2)c2cccc(C(O)=N[C@@H]3c4ccccc4C[C@H]3O)c2)C(=N)N1"]
["MCULE-4017347462","CCc1ccc(-c2cncc(CN=C(O)C3Cc4ccccc4C3)c2)cc1"]
["16458734","CCOCC(O)=NN=C(O)CN1Cc2ccccc2C1=O"]
["194112379","N#CC(ON)=c1ccc(=c2cc3ccc4c5c3c3c2ccc[n+]3CN5C=CC=4)cc1"]
["108715058","COc1ccc([C@H](C#N)N2CCN(C(=O)Cc3c(C)[nH]c4ccccc34)CC2)cc1"]
["101530169","CC(C)(C)c1c(-c2cccc(Cl)n2)n(C(=O)O)c2cc(C#N)ccc12"]
["171077209","FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.N#Cc1cccc2c1ccc[n+]2Cc1ccccc1"]
["24199457","Cc1cc(C)c(N2CSC3=C(C#N)C(c4cccc5ccccc45)CC(=O)N3C2)c(C)c1"]
["195284607","COc1cc(C(=O)N2CCC3(CC2)N=C(O)c2cc(C(=N)NN)ccc2O3)nc2c(C3CC3)cccc12"]
["175396819","CC(C)(C=C(C#N)C(=O)N1C=CC=CC=C1COC(O)=NC(CB(O)O)c1occ2ccccc12)N1CCOCC1"]
["105626366","Cc1cc(O[C@@H](C)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1Cl"]
["84976787","Cc1cc(=NC(=O)COCCN)c2ccccc2[nH]1"]
["75329643","C1=CNc2c3c(ccc2=C1)=CC=CN3c1ccccc1"]
["100731667","N#Cc1ccc(N)c(-c2ccc(C(=O)ON)c3ncccc23)c1"]
["136557938","N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2ccccc2OC2CCCC2)c1"]
["58795937","Cl[Te]1(Cl)(Cl)OCC[OH+]1.N"]
["176031932","C1CCOC1.O[P+](O)(Cl)Cl"]
["59345017","OP123OCC[N+]1(CCO2)CCO3"]
["48745920","C[Si](Cl)C[Si](C)(C)C"]
["99700343","C1CO1.C[Si](C)C"]
["50483960","ClC1OCCCCCO1"]
["61105062","NN=C1CCOCC1"]
["106907969","NN=C1NN=C(Cl)[C@H]2CCCC[C@@H]12"]
["182313713","O=S(=O)([O-])CC[C@@H]1CCO1"]
["62361695","CO[C@@H]1OCCC[C@@H]1Cl"]
["198201946","O=S1OCCOS(=O)OCCO1"]
["122078910","CC1(N=C(O)C2(C)CC2(Cl)Cl)CCOCC1"]
["183504674","O=C1C=CC(=P2(Oc3ccccc3)N=[P+]=NP(Oc3ccccc3)[NH+]=P(Oc3ccccc3)=N2)C=C1"]
["69072704","Cc1c(CNS(=O)(=O)CCOc2ccccc2)sc2nc(-c3ccc(F)cc3)cn12"]
["81045070","O=C(Oc1ccccc1)C1C(c2ccccc2)C(S)=NC2CCC(F)CC21"]
["116043856","OC(=NCc1ccccn1)c1ccc(Nc2ccccc2Oc2ccccc2)nc1"]
["88142021","COC(=O)C1=CC(=C2C=CC(=O)C=C2)NN1c1ccccc1"]
["MCULE-4000052877","CC(O)=Nc1ccc(N2CCN(C(=O)CCCOc3ccccc3)CC2)nc1"]
["70520287","CCCC1C(=O)C(C(C)=O)CC2C(Oc3ccccc3)CC(C(=O)OC)NC12"]
["19718343","COc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccccc2)CC(C)C)cc1"]
["117317695","O=C1C(Cl)=CC(=CNn2c(S)nnc2COc2ccccc2)C=C1Cl"]
["174876613","CCN(CC)N(N)C(=O)Oc1ccccc1"]
["53653112","C=Cc1ccccc1.O=C(O)O.O=C1OCCCCO1"]
["47578617","c1ccc(O[P+](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1"]
["79702312","C[Si](C)(C)[C+]=[C+]C[N-][Si](C)(C)C"]
["194747243","CCN(CC)CC[N-][Si](CC)(CC)CC.C[Si](C)(C)[N-][Si](C)(C)C.[Co+3]"]
["185218764","CC(C)(C)C[Si](C)(C)C(F)(F)F"]
["79455878","CC1(C[N-][Si](C)(C)C)C=CC=CC1.[Li+]"]
["172563167","CC([O-])C[Si](C)(C)C.CC([O-])C[Si](C)(C)C.[Mg+2]"]
["162874945","Cc1noc(C)c1N(C)CC(C)C"]
["96550606","C[Si]([SiH3])([SiH3])Cl"]
["171589205","CCC([N-]C(C)C)[N-]C(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Sn+3]"]
["101084844","C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Mn+2]"]
["97151196","CCC(O[Si](C)(C)C)SC(C)C"]
["182057886","C[SiH](C)[Si](C)(C)[SiH3]"]
["87185639","Cn1ccnc1-c1noc(CC2CCCN2)n1"]
["91171035","C1=Cc2ccc(o2)C(C2=c3ccc(o3)=CC=c3ccc(o3)=C3CC=C(C=Cc4ccc2o4)O3)=c2ccc(o2)=CC=c2ccc(o2)=C2CC=C1O2"]
["19308945","C[C@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)N1CCOCC1"]
["89558573","Clc1cc2c(o1)CCNC2C1CCCC1"]
["SN0297567","CCO[C]1C=CC(=c2ccc(=C3C=C(c4ccccc4)[NH+]4C(=C3)C(C)(C)c3ccccc34)o2)C=C1"]
["195388362","CCC1=C2C(=O)C(C=C3C=CC(C=Cc4ccc1o4)O3)c1c(CC)c3ccc(ccc4ccc(cc2c1=O)o4)o3"]
["70506581","CC(C)(C)P1c2ccc(o2)C=Cc2ccc(o2)P(C(C)(C)C)c2ccc(o2)C=Cc2ccc1o2"]
["125980664","Fc1cccc(F)c1-c1ccc(CNCc2ccc(N3CCCC3)nc2)o1"]
["85300893","O=c1oc2ccc(I)cc2n1CC1CC1"]
["75356155","[C]#CCCC1=CCc2ccccc2O1"]
["97301279","O=C1c2ccc(o2)/C=C\\c2ccc(o2)-c2ccc(o2)/C=C\\c2ccc1o2"]
["93701029","CC#CCCNC(CN)c1cccc2c1OC(C)(C)C2"]
["139923493","OC1CCCC1NCc1ccc(-c2c(F)cccc2F)o1"]
["79756296","[CH+][C@H]1CC[C@@H]([CH-])CC1"]
["173255224","F[NH+](F)C1CC1"]
["180714633","C1CC23C1[C@H]2CCC31CC1"]
["175634612","[B]CC1CC1"]
["175423278","CC(=O)OC(C(Cl)Cl)C1CC1(C)C"]
["61342650","CNC(C1CCCC1)C1CCCC1"]
["112648108","CN(C(=O)CNCC1CC1(C)C)C1CC1"]
["75387195","OC1(O)CCCC(SS)C1"]
["162035707","CC1(C)CC1CNC(=N)NC1CC1"]
["111800744","CC1(C)CC1NC1CC1"]
["150403543","CC1CC(C)(C)C(C)CC1(C)C"]
["190230005","NC(N)NC1CC1"]
["147869585","O=S(=O)(Oc1cc2cc3c(cc2c2c1C1C=CC2O1)C1C=CC3O1)C(F)(F)F"]
["124117885","O=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)OCCCO2"]
["64972391","COc1ccc(S(=O)(=O)C(F)(F)F)cc1N=C(O)C1CC(=O)N(c2ccc(C)cc2F)C1"]
["75295746","Cc1ccc2c(I)c(OC3CCC(C(F)(F)F)CC3)ccc2n1"]
["75046473","O=S(=O)(Oc1cc2cc(C(F)(F)F)ccc2cn1)C(F)(F)F"]
["75530771","COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)CC3)n2)cc1OC"]
["29361554","CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)[C@H](C)O[C@H](COC[C@@H](O)CO)CN3S(C)(=O)=O"]
["74485196","CC(C)(C)OC(=O)CCN1CCOC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)C1"]
["130292382","Cl.NCC(F)(F)CNS(=O)(=O)c1cc(F)ccc1F"]
["74684844","O=S(=O)(Oc1ccccc1-c1ccc2c3ccccc3c3ccccc3c2c1)C(F)(F)F"]
["163373331","O=S(=O)(Cl)c1cc(OC(F)(F)F)c(F)nc1F"]
["101940420","CC1(C)c2cccc3ccc4cc(N(c5ccccc5-c5ccccc5)c5ccc6ccc7c(OS(=O)(=O)C(F)(F)F)ccc8ccc5c6c87)cc1c4c23"]
["100882655","O=[14CH][14CH2][14C@@H](O)[14C@H](O)[14C@H](O)[14CH2]O"]
["65430875","CC(=O)CCO[O-].[Na+]"]
["175392482","COCP(=O)([O-])[O-].[Li+].[Li+]"]
["97415042","COCc1cccc(Cl)c1[N+](=O)O"]
["174855443","CC(C)(C)C(=O)OC(=O)C(C)(C)C.ClCCl"]
["60725784","O[14CH2][14CH](O)[14CH2]O"]
["171235222","O=COC(O)(CCO)OC=O"]
["80025098","COCC(=O)C(OC)C(OC)C(O)COC"]
["185023974","O[14CH](CCl)CCl"]
["24232851","CC(C)(C)C(=O)OC(=O)C(C)(C)C"]
["99710239","[B+]C(C)(C)C(=O)Oc1cc([CH-][O-])cc(OC(=O)C([B+])(C)C)c1"]
["172755261","O=P(OO)(OO)OO.[Ca+2]"]
["172979898","O=C(OC[C@H]1OC(O)(C(=O)C(CCl)(CCl)CCl)[C@@](O)(C(=O)C(CCl)(CCl)CCl)[C@](O)(C(=O)C(CCl)(CCl)CCl)[C@@]1(O)C(=O)C(CCl)(CCl)CCl)C(CCl)(CCl)CCl"]
["64423426","CCC(C)OC(=O)C[C@H]1C[C@@H](CCl)OC(C)(C)O1"]
["176530808","CCOC(=O)C(=O)CC(O)C1OC(C)(C)OC1[C@H](O)CN"]
["178136521","O=C(CC1CC2CCCC(O)(C2)C1)OCC(F)(F)S(=O)(=O)O"]
["12233710","CC[C@H](C)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)OC)[C@@H]3C1=O"]
["177761040","CCCC(C)(C)C(=O)OCC1CC2CC(C1)O2"]
["34004607","COC(=O)[C@]1(C(=N)O)C[C@H]1CO[Si](C)(C)C(C)(C)C"]
["21049470","COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc(C)o1"]
["191010592","CCC[C@@H]1OC(C)(C)O[C@@H]1CO.CCC[C@@H]1OC(C)(C)O[C@@H]1COC(=O)C(C)(C)C"]
["156285208","CCC(C)(I)C(=O)OCC1C2CC3C1OC(=O)C3(C#N)C2"]
["185748483","CC(C)(C)C(=O)OCC1CCCN1C(=O)[O-]"]
["92247210","CCC(CC)(CCl)N=C(O)c1ccc(F)c(OC)c1"]
["172690823","N=C(O)CCN=C(O)c1c[nH]c(-c2cc(F)c(F)cc2F)c1"]
["MCULE-9367384240","COc1cc(F)ccc1-c1cc(F)c(F)cc1N=C(O)c1cccs1"]
["195090831","N=C(O)CO[C@@H]1CO[C@H]2[C@H]1OC[C@H]2N=C(O)c1ccccc1"]
["MCULE-6619485565","CCN1CCN(c2ccc(C(O)=Nc3cc(F)c(F)cc3-c3cc(C)cc(F)c3)cc2)CC1"]
["115343558","COc1ccc(C(O)=NCCc2cc(O)c(O)cc2C)cc1OC"]
["136431857","CC(CCN=C(O)c1ccnc(F)c1)N(C)Cc1ccccc1"]
["MCULE-1557424403","Cc1ccc(N=C(O)c2ccc(-c3c[nH]nc3C)c(F)c2)c(C)n1"]
["MCULE-9296442796","COc1cc(F)c(F)cc1-c1cc(F)c(F)cc1CC(=O)N1CC(=O)C1"]
["120666869","NNC(O)=NCCc1ccc(F)cc1F"]
["83819026","CCn1c(CCC(=N)O)nnc1SC(C)C(=O)c1ccc(OC)cc1"]
["131068450","CCn1nccc1C=CC(O)=NC1C2CCOC2C1(C)C"]
["123828375","CCN=C(O)c1cccc(CN=C(O)N(C)Cc2cc(F)c(F)c(F)c2)c1"]
["47729328","C=C1C=[O+][N-][N-]1.[K+]"]
["173758500","C=C1C=CC=C(CS)[N-]1.[W]"]
["180262989","C=C1OC=C[N-]C1=II"]
["97015129","C=C1C=[C]c2ccccc2[N-]1.[Li+]"]
["67287329","C=C1N=NN(C(C)C)[N-]1.[Y]"]
["185392203","Cc1cnc(C[NH-])cn1"]
["173819082","[B+]=C1C=N[N-][N-]1.[W]"]
["184782090","C1=C[N-]C2=C([N-]1)[O+]=[Si]=[O+]2"]
["25460776","C=C1[CH]C1"]
["157988065","C=C(C1=CCCNC1)C(F)(F)F"]
["25413927","C=C1[CH]CC1"]
["148818370","C=C1C=CC(C(Cl)(Cl)Cl)=C[C]1C(Cl)(Cl)Cl"]
["169933798","Fc1cc2cc(OC(F)(F)c3c(F)cc(-c4c(F)cc5cc(C#Cc6ccc(S)cc6)ccc5c4F)cc3F)ccc2c(F)c1C#CC(F)(F)F"]
["195954330","Cc1ccc(C#Cc2ccc3oc(CC4(C(=O)OC[C@]5(CO)C/C(=C\\CC(CC(C)C)CC(C)C)C(=O)O5)CCC4)cc3c2)cc1"]
["CSSS20766238472","FC(F)(F)Oc1ccc2nc(Nc3ccc(-n4cccn4)cc3)sc2c1"]
["MCULE-6377158799","COc1ccc2cc(-c3c(F)cc(N=C(O)CC#N)cc3F)ccc2c1"]
["171210249","C=CCCc1ccc(CCc2ccc(C#Cc3ccc4c(F)c(CC)ccc4c3)cc2)cc1"]
["171191004","C/C=C/COc1ccc(-c2ccc(C#Cc3ccc4cc(F)c(F)cc4c3)cc2)c(F)c1"]
["171193020","COCCc1ccc(CCc2ccc(C#Cc3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)cc1"]
["169624087","C=CC(=O)OCCCSc1ccc(C#Cc2ccc(OCc3ccc4cc(C#Cc5ccc(SCCCOC(=O)C=C)cc5)ccc4c3)c(C(=O)OC)c2)cc1"]
["171207466","C=CCOc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)c(F)c4)ccc3c2)c(F)c1"]
["31082233","CCCCCC1COC(C#Cc2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2)OC1"]
["171209831","C/C=C/CCc1ccc(C#Cc2ccc3cc(C#Cc4ccc(CCC)cc4)ccc3c2F)cc1"]
["42702738","CC(C)(C)c1ccc(C#Cc2ccc(C(=O)O)c(F)c2)cc1Oc1ccc(C(F)(F)F)cc1"]
["199382134","C1=CC2=C3C=CC4=CN3CCN2C=C1C=[N+]=[O+]Cc1ccc(cc1)C[O+]=[N+]=CC1=CN2CCN3C=C(C=CC3=C2C=C1)/C=N/OCc1ccc(cc1)CO/N=C/4"]
["140024356","Cc1cccc(F)c1S(=O)(=O)N1CCCC1c1cnn(C)c1"]
["187645930","CN1CCN(Cc2ccc(-c3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)nc2)CC1"]
["19732807","Cc1cc(CN2CCN(CCC(O)=[NH+]c3ccc(Cl)cc3F)CC2)no1"]
["170607349","CC#N.CCc1c2c(CC)c3c(CC)c1COCc1ccc(cc1)CNCCN(CCNCc1ccc(cc1)COC2)CCNCc1ccc(cc1)COC3"]
["94042880","CCn1cc(C(O)C2=CCCCO2)cn1"]
["177303173","CN1CCCN(C[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2c2cnn(C)c2)CC1"]
["160260490","CCn1cc(C2CN(Cc3cnnn3C)CCO2)cn1"]
["171997974","Fc1ccc2c(CN3CCN(Cc4nnc(C5CC5)o4)CC3)noc2c1"]
["115064102","CC(C)(O)CN1CCN(Cc2cccc(N)c2Br)CC1"]
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["178762768","[NH-][c+]1[n-]oc2c1N=C[I+]C=C2"]
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["159212670","CCC(C)(C)[C@H]1CC[C@@H](Cl)C1"]
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["163109681","NC(CO)(C1CCCC1)C1CC1"]
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["75737030","O=C(F)c1ccccc1[N+](=O)[O-]"]
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["54962938","CCCCN1CC=C[C@]23O[C@@]4(CC)/C=C\\CCCCOC(=O)[C@H]4[C@H]2C(=O)N([C@H](C)CO)C3C1=O"]
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["78723212","CBNBNBN"]
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["164217694","CBNC(C)C(C)CC"]
["167603252","C=CNC1(C(C)N)CC1"]
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["78516004","C=C(NOBC)C(=O)OC"]
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["79292377","O=CC[Te]"]
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["175517299","N#Cc1nn[nH]c1C#N.[H-].[K+]"]
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["174105168","[B+]=C1C(=[B+])C(=c2[n-]c(=c3c(=[B+])c(=[B+])c4c(oc5c(=[B+])c(=[B+])c(=[B+])c(=[B+])c54)c3=[B+])[n-][c-](-c3c[cH-][c-](-[c-]4cc([C-]5[CH-][CH-][CH-][CH-][CH-]5)[cH-][cH-][cH-]4)[cH-][cH-]3)[n-]2)C(=[B+])[C-](n2c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c32)C1=[B+]"]
["174117853","[B+]=C1C(=[B+])C(=[B+])[C-](N2C3=[C-]CC[C-]=C3[N-]C2=C2[C-]=CCC(C3C4=[C-]CC[C-]=C4C(=c4c(=[B+])c(=[B+])c(=[B+])c(=[B+])c4=[B+])C4=[C-]CC[C-]=C43)=[C-]2)C(=[B+])C1=[B+]"]
["181876517","CC(=O)N1Cc2cc(S(C)(=O)=O)ccc2[C@@H]1C(O)=Nc1ccc(N2CCC[C@H]2c2cc(F)cc(F)c2)nc1"]
["174045531","[B+]=c1c(=[B+])c(=[B+])c(=c2[n-]c(=c3c(=[B+])c(=[B+])c(=[B+])c(=[B+])c3=[B+])[n-][c-](-c3cccc4c3C3=CC[C-]=C(n5c6c[cH-][cH-]cc6c6c[cH-][cH-]cc65)[C-]3O4)[n-]2)c(=[B+])c1=[B+]"]
["171620060","[B+]=C1C(=[B+])C(=[B+])C(n2c3c[cH-][cH-]c4c5c[cH-][cH-]cc5c5c(-c6ccc7c(c6)[C-]6C(=C=CC6C)O7)ccc2c5c43)C(=[B+])C1=[B+]"]
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["65925275","O=[N+]([O-])N1C=CC=CC=C1"]
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["167338257","C1=CC=C1.COC(=O)N1C=CC=CC=C1.[Fe]"]
["48217180","O=C(O)CCCN1C=CC=CS1"]
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["190892382","C1CC2CCC(C1)CC2.[I-]"]
["179444350","C1=[SH+]2CC2C2CCC(CC1)CC2"]
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["184199774","C1CC2C[C@H]([I-]1)C1CC2C1"]
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["MCULE-5930706360","COc1ccc(-n2cc(CO)c(C3CCCCC3)n2)c(O)c1"]
["180910252","CC1=C2CC3C(O)(CC=C4CC(O)CC[C@]43C)C2CCC12OC1CC(C)CN(CCN)C1(C)[C@H]2C"]
["31355851","N#CC1(c2cncc(Cl)c2)CC2CCC(C1)N2CCC(=O)O"]
["199905819","CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)(C)O)c(O)c1"]
["85254582","Nc1ccc2c(c1)CCC2NCCc1ccc(O)cc1"]
["147391421","CC1=C[C@@H](C)[C@@H](CO)[C@@H](C)C1"]
["93379756","Cc1cc(C)cc(C(O)CN2CCC(C(C)(C)C)C2)c1"]
["52985247","C1=PC2=C(C1)PCPC2"]
["195731144","C=NC1CC=C2CC21"]
["179305222","c1ccc2c(c1)CPC[PH2+]C2"]
["59489752","CCOc1cc(Br)c(C(=O)C2COCCO2)cc1OCC"]
["59297197","CCCn1ccnc1C(=O)C1COCCO1"]
["74263159","O=C1C=CP=CC1"]
["178207634","CC(C)C1=CCPC1"]
["133535173","CC(c1ccccc1Cl)N(C)C(=O)C1COCCO1"]
["172930580","[2H]C12C=C(C(c3ccc(C([2H])([2H])[2H])cc3C)=[N+](C)C)C([2H])(CC1)C2"]
["178685237","C1=Cn2ccc[n+]2-c2ccccc2C1"]
["75850864","C1=CC2C[N]CCC2=CC1"]
["194104285","Br.c1ccc2c(c1)CCPC2"]
["175892423","O=C(O)Cc1[n-]c2[nH+]ccn2c2nc[nH+]c1-2"]
["108895520","CCCCOc1ccc(-c2n[nH]c(C)c2CC(=O)O)cc1"]
["68837807","CC(O)C1C(=O)N2C(C(=O)O)=C(SCCc3nccn3C)[C@H](C)C12"]
["172686246","CCn1nc2cc(F)c(CC(=O)O)c(CN)c2n1"]
["20177220","Cc1cccn2c(/N=N\\c3ccccc3C#N)c(CC(=O)O)nc12"]
["61301815","Cc1ncsc1CCn1c(C(=O)O)cnc1C"]
["86822932","O=C(O)Cc1ccccc1CNC(=O)c1ccncc1Cl"]
["MCULE-4565664391","Cn1ncc(Cl)c(OCC(=O)O)c1=O"]
["114999802","O=C(O)Cn1nnnc1-c1ccnc(O)c1"]
["140031674","CCc1nc[nH]c(=NCCCCCCCC(=O)OC)c1F"]
["20405681","Cc1ccc(C(C)C)c(O[C@@H](C)C(O)=NC[C@H](C)Cn2cc[nH+]c2C)c1"]
["MCULE-4563188899","CCOCCOC(=O)COc1nonc1CC(O)=Nc1ccccc1"]
["99627636","CC[Si](C)(C)O[Si](O[Si]1=[Si]=[Si]=[Si+]1)(O[Si](C)(C)C)C(C)(C)C(C)(C(C)C)C(OC(=O)/C=C/C(=O)OC(C(C)C)(C(C)C)C(C)(C(C)C)C(C)(C)[Si](O[Si]1=[Si-][Si]#[Si]1)(O[Si](C)(C)C)O[Si](C)(C)CC)(C(C)C)C(C)C"]
["MCULE-1979663082","CC(C)c1c(C(=O)OC(C)(C)C)cnn1-c1cc(F)cnc1O"]
["48738031","CC#C/C=C(\\C)[C@H](C[C@H](OC(=O)CP(=O)(OCC)OCC)[C@H](C)[C@@H](OC)/C(C)=C/I)O[Si](C(C)C)(C(C)C)C(C)C"]
["79943418","CC/C=C(\\C(=O)O)[Si](C)(C)O[Si](C)(C)O[Si](C(C)C)(C(C)C)C(C)C"]
["178867450","CCOC(=O)/C=C/C(=O)OCC(N=C(O)C(C)(C)I)C(C)C"]
["146920111","CC(CN(C)C(=O)c1cccc(OCC(F)(F)F)n1)C(=O)O"]
["180928532","C/C=C(C(=C/C(C)C)/CCC(=O)N(C)CCO)\\[C@H](C)C[C@@H](CC)OC(F)(F)F"]
["25960199","C=CCC1(OC(=O)OC(C)(C)CC)OO1"]
["140225500","Cc1nc(C(=O)NCC(C)CN(C)C(=O)OC(C)(C)C)no1"]
["184172012","CC(C)C(C)(CC(C)(C)C)C(=O)OC1C2CCCC3C(=O)OC1C32"]
["79590298","CCC(OC(=O)/C=C/C(=O)O)[Si](C)(C)O[Si](C)(C)C"]
["99638370","C=CCOC(=O)C([N+]#N)=C(O)[C@H](CCCN(C)C(=O)OCC=C)[C@H]1N=C(O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C"]
["45282877","[3H][N-]I(F)I=PSS.[K+].[K+]"]
["174827570","O=PSS.[Zn]"]
["70026778","NI(F)I=PSS"]
["69528351","CI(F)S"]
["60047461","[3H]NI(F)I=PSS"]
["185177415","N#CI(F)Cl"]
["63522449","[3H]PI(F)P=N"]
["49842390","FI=[B-]SS"]
["170655520","[3H]OI(C)F"]
["175382011","FC(S)SC(Cl)(Cl)Cl"]
["55632212","[3H]SI(C)F"]
["175011785","FC(F)C(F)(F)C(F)SS"]
["179792784","C1C2=C3CC4C5CCC6C7C3=C2C1C1C2C3C4C(C52)C71C63"]
["59546899","C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO"]
["191564866","C.CC12CCC(=O)C=C1CCC1C2[C@@H](O)CC2(C)C1CC[C@]2(O)C(=O)CO.C[C@]12CCC(=O)C=C1CC[C@@H]1C2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"]
["34319718","C[C@H]1CC[C@H]2C(CS(=O)O)C(=O)O[C@H]2[C@]2(C)C(=O)CC(S(=O)O)[C@@H]12"]
["151397119","C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C=O)[C@@H]1CC[C@H]2C(=O)CO"]
["163463098","C[C@]12CCC(=O)C=C1CC[C@@H]1C3CC[C@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@@H]12"]
["173022235","C=C1NC(C)C2CCC2N1"]
["151537647","C1COC(C23C4[C@@H]5C[C@@H]6C7C8[C@@H]9[C@@H]6[C@@H]5[C@@H]2[C@@H]9[C@@H]2[C@@H]8[C@H]5[C@H]([C@H]23)[C@H]4C[C@@H]75)O1"]
["180311870","C=C1OCC2CCC3C4CCC5COC(=O)C6CCC(C7CCC1C2C37)C4C56"]
["44553736","C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.NC1CCC(O)CC1"]
["82418176","CC12C=CC(=O)C=C1CCC1C2C(=O)CC2(C)C1CC(=CF)C2(O)C(=O)CO"]
["182305037","CC=C1CC2CC1C1OC(O)CCC21"]
["78964652","[C+]1C2CC1CC(C1C3C[C-]CC1C3)C2"]
["43475405","C1C[C@H]2CC3CC1C32"]
["180594865","CC1C2C3CC45C6CC7CC4CC3C(C7C2C6)C15"]
["46220970","CC(C)(C1CC[C@@H](C2C3CC4CC(C3)CC2C4)C1)C1C2C=CC=CC2C2C=CC=CC21"]
["108918159","C1C[C@@H]2C[C@@H]1[C@@H]1[C@@H]3C[C@@H]([C@H]4C[C@H]5C[C@H]4[C@@H]4[C@H]6CC[C@H](C6)[C@@H]54)[C@H](C3)[C@@H]21"]
["45983208","CC1C2CCC1C2"]
["184374353","[C-]1=S2C3C(C1)C32"]
["56902595","CC1C(C)[C@H]2CC[C@@H]1C2"]
["174254665","C1#CCC2CC(C1)C1C3CCC(C3)C21"]
["180808885","CC1CC(C2CC2)CC2CC12"]
["180300069","C1[C@@H]2B3[C@@H]4CC5C[C@@H]3[C@H]1C2C54"]
["97233047","C1C2CC3CC4CC1C1C5CC(CC6CC(C5)C4C36)C21"]
["100196552","C=c1[cH+]cc(CCc2c(COO)c(=C)c(=C)c(=C)c2=C)c(=C)[cH-]1"]
["145409922","COc1cccc(CBr)c1CCC(=O)O"]
["116634532","CN=C(NCc1ccc(F)c(COC)c1)N1CCS(=O)(=O)C(C)(C)C1.I"]
["26324300","NCC(=O)Oc1cccc(CCc2cccc(OC(=O)CN)c2O)c1O"]
["101108066","NCCc1c[nH]c2ccc(O)c(Cc3ccccc3)c12"]
["9150027","COc1cc(OC)c(OC)cc1CNCC(=O)O"]
["24900481","CN=C(O)N=C(O)c1ccc(COO)cc1"]
["176332971","CC(O)=NCCc1c[nH]c2ccc(O)c(CN(C)C)c12"]
["89436690","COc1ccc(CCC(=N)S)c(OC)c1OC"]
["88809870","COc1ccccc1CNc1ccc(O)cc1F"]
["169315053","COC(=O)C(N=C(O)NNCc1ccc(OC)cc1OC)C(C)C"]
["98846419","CC.O=C(O)c1cscc1COO"]
["42641514","[C]=[O+][B-](=BN(C)C)N(C)C.[Mo+]"]
["166610495","CC(C)C(=S)N(C)Cl"]
["96732966","[2H]C([2H])([2H])[O+]=[C]"]
["63642580","[CH-]=CN(C)C.[V]"]
["150931387","C[C@@H](CS)CN(C)C"]
["65568549","CN(C)C(=[O+]Cl)N(C)C.[Cl-]"]
["88511632","CN(C)NCc1ccn(C)c1"]
["91547186","CN(C)[B]NC#N"]
["185354290","CON(C)C(=S)[S-]"]
["26693678","CC(CS)CN(C)C"]
["75232863","CN(C)[PH](OC1=NC=C[N]1)(N(C)C)N(C)C"]
["193025323","C[B]N(C)C.[U]"]
["173100943","C1CN1N(N1CC1)[NH+]1CC1"]
["173747589","CC.CC.Cc1nc2n(c1Cl)CCC2O"]
["185362932","C[NH+]1CCN(CO)CC1"]
["136195801","CCN(CN1CC(=O)N(C(C)C)C1=O)C(C)C(C)C"]
["14751044","C[NH+]1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1"]
["49900953","CN1C(=O)N(C)P1(Cl)(Cl)Cl"]
["83224031","S=P(Cl)(N1CCCCCC1)N1CC1"]
["195918845","C[NH+]1CCN(CCCS)CC1"]
["148830173","CC(=O)N(CC(=O)O)N1CCN(N(CC(=O)O)C(C)=O)CCN(N(CC(=O)O)C(C)=O)CCN(N(CC(=O)O)C(C)=O)CC1"]
["147738539","CC(C)N1CCS(=O)(=O)C(C)C1"]
["171535312","CCN(CC)CCN1CCCC[Si]1(C)C"]
["185677461","ClC1CN2CCC1C2"]
["195598185","CNC1(N)OC2(Oc3c(c(N)c(N)c4oc(N)c(N)c34)C(N)=C2N)OC1(N)N"]
["87880784","Cc1cc(Cl)cc2c(N)c(CC(C)C)oc12"]
["95035332","CC1(C)Cc2cccc(Oc3cccc(Cl)c3N)c2O1"]
["91696881","COc1nc(I)c2oc(N)c(N)c2c1-c1ccc(F)c(Cl)c1"]
["10916955","COC(=O)c1c(N)oc2c1c1c(c3ccccc32)O[C@H](O)C1(C)C"]
["91695631","Cc1cc(-c2ncc(-c3cccc(Cl)c3)c3c(N)c(N)oc23)ccn1"]
["196008074","CC[C@H]1Oc2c3c(c4c(N)c(N)c(=O)oc4c2C(O)C12N=N2)OC(N)(N)C(N)C3"]
["183784057","CNC1(N)C=C(Cl)C=C(C)O1"]
["100833674","COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(N)=C(c2ccccc2)C(=O)C[C@H]1C"]
["78316916","CN/C=C1/NC(N)(c2ccc([N+](=O)[O-])o2)NS1"]
["88181545","Cc1cncc(-c2nnc(C3(N)CC3)o2)c1"]
["155707468","Cc1oc(N)c(C#N)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3"]
["76239964","[1CH3][1O][1c]1[1cH][1c](-[1n]2[1cH][1cH][1n][1cH]2)[1c]2[1c]([1n]1)[1NH][1C]1([1CH2][1CH2][1CH2][1CH2][1CH2]1)[1NH]2"]
["76239786","[1CH3][1O][1c]1[1cH][1c]([1C](=[1O])[1O][1C@@H]2[1CH2][1CH2][1N]3[1CH2][1CH2][1CH2][1C@H]23)[1cH][1c]([1O][1CH3])[1c]1[1O][1CH3]"]
["76239839","[1CH3][1O][1c]1[1cH][1c]2[1c]3[1c]([1c]4[1cH][1c]([1O][1CH3])[1c]([1O][1CH3])[1cH][1c]4[1c]2[1cH][1c]1[1O][1CH3])[1CH2][1N]1[1CH2][1CH2][1CH2][1CH]1[1CH2]3"]
["76239817","[1CH3][1O][1c]1[1cH][1c]([1C](=[1O])[1O][1C@H]2[1CH2][1CH2][1N]3[1CH2][1CH2][1CH2][1C@H]23)[1cH][1c]([1O][1CH3])[1c]1[1O][1CH3]"]
["184884194","C=C/C(=C\\C=CC(C)(C)[S-])C1CNC(CC(C)(C)C)C1C#N.C=O.[W]"]
["198644684","CC(C)(C)C(C)(C)C#N.CCN1CCN(CC(C)(C)C)CC1"]
["74308831","C=CC(=O)N(CC(=O)OC1CNCC[N]1)C(=O)C=C"]
["53459931","C=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@@]1(C=CCNS(C)(=O)=O)O[Si](C)C"]
["170268898","CN1C[C@H](CC(C)(C)C)[C@@H](CC(C)(C)C)C1"]
["56498967","COC(=O)CCSc1nc(SCCC(=O)OC)nc(C(C)(C#N)C(=O)O)n1"]
["180571456","CC(C)(C)OCN1[C@@H]2CC[C@@H](C2)[C@H]1C(O)=NCC#N"]
["157396137","C[C@](CN)(N=C(O)CN=C(O)c1c[nH]c2ccccc2c1=O)C1CC1"]
["162554497","CCC(C)(OC)C1CC(O)CN1"]
["158106691","CC(C)(C)C[C@]1(C)O[C@H]1C#N"]
["158535264","C[C@H](CC#N)N=C(O)[C@@H]1CCC[C@@H]2CCCC[C@H]21"]
["176613382","C=C/C=C(\\C=C)CC(=O)N1CCC(CC#N)(CCC)CC1"]
["55350133","C1=c2c3csc4c5[nH]cc6c7csc8c9[nH]cc%10c%11csc%12c(c2c2c(c%12%11)c(c%109)c(c78)c(c65)c2c34)C1"]
["107514947","Cc1cc(C)c2[nH]cc3c2c1CNC3"]
["173347898","N=C(N)c1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12"]
["163145424","Cc1c(F)ccc2c(C(O)C(=O)O)csc12"]
["34140707","COc1cnc(-c2cnc(N)cn2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12"]
["162901481","OCc1csc2c(CBr)cc(S)cc12"]
["189229115","O[C@H]1CC[C@H](n2cc([C@H]3CC[C@H](CN4CCNCC4)CC3)c3c[nH]c(=NCCC(F)(F)F)nc32)CC1"]
["108593681","Brc1cccc2c([C@@H]3CCCN3)c[nH]c12"]
["172539580","CCC1CC=C(c2ccc([N+](=O)[O-])c3c(=O)c(C)c[nH]c23)CC1"]
["162600866","N#Cc1ccc2c(Br)csc2c1F"]
["195573283","C=CC1=CCc2c(C)csc21"]
["21912721","[NH2+]=c1c(C(O)=NN=C(O)c2ccccn2)c[nH]c2ccccc12"]
["177174962","[N-]=Nc1nc(SC#CSO[O+]=O)ns1.[Na+]"]
["27740084","CSc1nsc(OCc2cc(Cl)cc(Cl)c2)n1"]
["86734569","CCCSc1nsc(N=C(O)CBr)n1"]
["MCULE-1534339252","CCSc1nsc(N=C(O)C(C)Oc2ccc(O)cc2)n1"]
["MCULE-3194804507","CC(O)=NCCC(O)=Nc1nc(Sc2ccccc2)ns1"]
["MCULE-7620614365","CSc1nsc(N=C(O)C2CCc3ccc(Br)cc32)n1"]
["166641335","C=C1C(C)=C(C)C(=O)N1c1nc(OC)ns1"]
["138142755","Cc1ccc(Sc2nsc(N=C(O)c3cccnc3C)n2)cc1"]
["171333531","COc1ccc(-c2ccc(C=C(C#N)C(O)=Nc3nc(SC)ns3)o2)c([N+](=O)[O-])c1"]
["47467200","CSc1nc(N=C=N)nc(N(C)C)n1"]
["136255691","Cc1cnn(CCC(O)=Nc2nc(Sc3ccccc3)ns2)c1"]
["22283571","Cc1ccc(OCC([O-])=Nc2nc(S(=O)(=O)Cc3ccccc3)ns2)cc1"]
["83493179","N[Si](N)(Cl)[Si](N)(N)N[Si](N)(Cl)[Si](Cl)(Cl)Cl"]
["78913083","NNCC(N)N"]
["91261977","F[Si](F)(F)[Si](F)(F)Cl"]
["197726923","CC(C)[Si](N)(CCl)C(C)C"]
["182909451","N[Si](N)(Cl)N[SiH3]"]
["191263399","C[Si](C)(Cl)Cl.N[NH3+].N[SiH3]"]
["86410753","Cc1c(N)ncnc1NN"]
["61457843","NN[As](N)Cl"]
["26346095","CC(C)C(C)[Si](C)(Cl)Cl"]
["68706336","Cl[Si](Cl)(Cl)N[Si](Cl)(Cl)Cl"]
["25931903","C[Si](Cl)(Cl)[Si](Cl)(Cl)Cl"]
["74090274","CC1=[NH+]C(Cl)=C(Cl)[N]1"]
["182495648","[N-]=[N+]=NOC1(OC2=CC=CNN2)C(=O)N=C(OC2C=CC=CN2)C(=O)N1ON=C1OC(Oc2ncccn2)=C(Oc2cnccn2)C(=O)C1=O"]
["146996127","CC1CC(N=C(O)c2cccc(Oc3cnccn3)c2)CCN1.Cl.Cl"]
["194832661","O=S(=O)(NCC1(COc2cccnc2)CC(O)C(O)C1)c1ccc(F)cc1"]
["128977502","O=S(=O)(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1ccc2c(c1)OCCO2"]
["168343623","Cc1cnc2c(F)c(NC3CC(C)NN3)[nH]c(=NC3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)c3cccnc3)c2c1"]
["175646553","OC(CCOc1ccccc1)=NC1CCC(n2cc(-c3cnccn3)cn2)CC1"]
["83266676","OC(=Nc1ccc(F)c(-c2cn3cc(-c4cccnc4)cnc3n2)c1)N1CC(F)C1"]
["46022947","CCOC(=O)C1=C(COC(=O)c2cnccn2)NC(O)=N[C@H]1C"]
["182936891","[N-]=[N+]=NOC(OCCOc1ccncc1)c1ccccn1"]
["54032546","O=C(OCC(=O)N1N=C(c2cccs2)CC1c1ccco1)c1ccccc1Oc1cccnc1"]
["168120008","CCS(=O)(=O)N[C@@H]1CC2CN(C(=O)c3cnccn3)C[C@@]2(c2nc(C)no2)C1"]
["150148780","C=C1CC=CCCCCCC(N=C(O)c2cnccn2)C(=O)N2CC(Oc3nc4cc(F)ccc4nc3C)CC2C(O)=NC(C(O)=NS(=O)(=O)C2CC2)C1"]
["174615407","[B]CCNP(O)NCCBr"]
["164520701","S=P(Cl)(Cl)NCCBr"]
["157944905","BrCCNC1CCSCC1"]
["145715834","COC(=O)c1ncc(CBr)cn1"]
["42612283","CC(C)CN(CC(C)C)CC(CO)NC(C)C"]
["26115410","OCC1COCC1CO"]
["175135047","CC(C)(CN)OC(=O)CC(=CF)CCBr"]
["78827706","COC(=O)CCS(=O)(=O)CCBr"]
["26738612","O=C(O)NN=CCBr"]
["61858757","COC(=O)n1c(CBr)cc2ccccc21"]
["178708753","C=C/C(=C\\C=C/C)CS(=O)(=O)NCCBr"]
["97688361","Oc1cc(Br)c(CBr)c(Br)c1"]
["180151745","CC1=[N+]2N[n+]3c(C)ccc4c3C2C(C=C1)C=C4"]
["179568511","CC1=CC2CC(C2)NC1"]
["49499294","CCNC(c1cc(C)ccc1C)C1CCCC(CC)C1"]
["172030621","C[Si](C)(C)c1cnc2n1CCc1c-2ccnc1-c1ccccc1"]
["174849510","C=C1c2cc(N)ccc2C2C=Cc3ccc(C)c1c32"]
["160009667","C.Cc1cc(-c2ccc(O)cc2-c2cc(C)c(O)c(C)c2)cc(C)c1O"]
["25496255","CCc1ccc(-c2nccc3nc(O)ccc23)cc1"]
["190157482","Cc1ccccc1C1=CCC(c2ccc3c(c2)C=CC3C2CC2)=C1"]
["173574393","CC1C=Cc2cc(O)c(O)cc21"]
["96898612","Cc1ccc(O)c[n+]1CC(=O)O"]
["96859549","CC1=CC(C)C(Cc2ccccc2)=CC1"]
["154703593","Cc1cc(C)c2c(c1)C(C)CN1c3ccccc3C=CC21"]
["44267923","ClC1=CC([C@H]2C=CC=NC2)CC(C2=CCCN=C2)C1"]
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["96865442","NCCCCCNC=C1/C=N\\CC/N=C\\C(=CNCCCCCN)/C=N\\CC/N=C\\1"]
["150421410","Nc1ccc2nc(C3=CCCN=C3)[nH]c2c1"]
["99723521","O=C1C(=O)N(c2nc3ccccc3s2)C(C2=CCCN=C2)/C1=C(/O)c1ccc(Cl)cc1"]
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["168574901","O=C(O)CCC(=O)N[C]1C=CC(=[Si](O[Si](O)=C2C=C[C+](NC(=O)CCC(=O)O)C=C2)O[Si-]([O+]=[Si-]c2ccc(NC(=O)CCC(=O)O)cc2)c2ccc(NC(=O)CCC(=O)O)cc2)C=C1"]
["14030124","Cc1ccc(-c2noc3c(=O)n(CCC(=O)Nc4ccc(S(N)(=O)=O)cc4)cnc23)cc1"]
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["69122945","COCc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1ccc(F)cc1"]
["46115656","CCCC(=O)Nc1ccc(-c2nc3cc(C(C)CC)ccc3o2)cc1"]
["148032486","NC1CCCCC1CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1"]
["84718342","CCN(CCO)c1ccc(NC(=O)CCC(C)O)cc1"]
["199953071","C=c1cc(OCCOC)cc(F)/c1=C(/N=C\\C)Nc1ccc(NC(=O)CCC(O)=NC(C)C)cc1"]
["200361821","N#CC(C#N)=NNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1"]
["57902926","O=C(Nc1ccc(F)cc1)c1ccccc1N=C(O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O"]
["62196627","CC1SC(=S)N(CCC(=O)Nc2ccc(C(C)C)cc2)C1=O"]
["93030141","CCC(Nc1ccc(N=C(C)O)c(Cl)c1)C(=O)OC"]
["70100431","Cc1nc(N(C)S(C)(=O)=O)nc(C)c1C=CC(CC(CC(=O)OP(P)P)OPP)OP"]
["148154582","CC(C)CC(NS(=O)(=O)c1cccnc1C(F)(F)F)C(=O)O"]
["63905245","CC(C)OC(=O)[C@H](Cc1ccc(OC(=O)N(C)C)cc1)N(C(=O)[C@H]1NC(C)(C)CS1)S(=O)(=O)c1cnn(C)c1"]
["171248585","CCOC(=O)CN1CCN(N(C)C=O)CC1"]
["165869557","Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCC(C(=O)N(C)C)CC3)c2Cl)cc1"]
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["MCULE-6051138853","Cc1nn(-c2ccccc2Cl)c2c1C(c1cn(C)c3ccccc13)C(C(=O)N(C)CCO)=C(N)O2"]
["88466916","COCCN(C(C)C)S(=O)(=O)c1cc(Br)c(C)cc1Br"]
["102300521","Cc1nn(C(C)C)c2cnn(CCC(=O)N3C[C@H](C)C[C@@H](C)C3)c12"]
["30159242","C[C@H]1C[C@@H]1CN(Cc1ccccc1)c1cc(-c2ncc([C@@](C)(Cc3ccccc3)NC(=O)O)o2)cc(N(C)S(C)(=O)=O)n1"]
["126945820","CCC(CSC)N(C)C(=O)c1nnn(-c2ccc(OC)cc2)c1C"]
["124950494","Cc1nc(C)c(CCC(=O)N(C)CC(O)=NC(C)C)c(O)n1"]
["178710635","CI=CCC/C=C\\C(C)NS"]
["83513170","CC(Cl)C=CCP(=O)(Cl)Cl"]
["23181567","C=CCNC(C)C.Cl"]
["169289484","COCN=C(S)NNCC(C)O"]
["105048967","C=CCNC[C@@H](C)C(=N)S"]
["97694463","COC(=O)CCC/C=C/C(O)C(C)C"]
["156342439","C=CC(C)ONCC(C)O"]
["94286604","C/C=C/CCNCC(C)C(=O)OC"]
["25711611","CC(OP(N)(N)=S)C(=N)S"]
["170209545","C/C=C\\C(C)CNCC"]
["25279701","CC(Br)C(O)CS"]
["160123871","CC(N)O.CCNC(C)O"]
["176548165","[B+]=C1c2c(cnn2P)C=[C-]C1F"]
["MCULE-9293687206","Oc1cncc(-n2ncc(Cl)c2-c2ccccc2)c1"]
["MCULE-8722663127","Cc1cc(-n2ncc(CN(C)C)c2C2CCCC2)cnc1Cl"]
["94870324","CC(NC1CC=CC1)c1cnn(C)c1"]
["MCULE-1147343328","OCc1cnn(-c2ccc(F)nc2F)c1C1CCCC1"]
["MCULE-1608915109","Cc1c(Cl)cnn1-c1ccnc(Cl)c1F"]
["62731755","C[C@@H](NC(=O)c1c(C(=O)O)cnn1C)C(=O)O"]
["173589025","Cc1c(F)cnn1CC(F)F"]
["160699275","Cn1cc(C2CCN(c3nnc(C(F)F)o3)C2)cn1"]
["MCULE-1942917573","Cc1c(C#N)cnn1-c1cnc(Cl)c(F)c1"]
["99716188","[B+]=C1C(O)=NC(=O)N(C=C2C(F)=CC=C[C-]2C(F)(F)F)C1C"]
["195327996","[B+]=C1C=C([C@@]2(C)NC(=N)N(C)C(=O)[C@H]2c2ccc(C(F)(F)F)cc2)C=[C-]C1F"]
["170150362","CCC1(S)C23C4CC45CC54C56C7C89C%10C8(S)C8%11C%12%13C%14C%12(S)CC%14%12C%14%15CC%16%17CC%18%19CC%14%20C%18%14C%18%21C%19%22C%16CC%17(S)C1%22C2%18C31C23C45C4(C796)C%108C56C%20(C%12%15C%13%115)C%14(C462)C%2113"]
["178332839","CC1CC(=Nc2cc(C3CC3)[nH]n2)NC(=NCC2CC(C3=CCC(F)C(F)C3)=NO2)N1"]
["99768714","CCC1C2C3=C=C4C(CO[P+](I)=PP(#P)P=[P+]=[P-])C4(CCC3(C)CC)CC3C1C32"]
["178787847","CCCI12(C)CCC(C)(C[C@]34CC5C67CCC89C%10C%11CC[C@@H](C)[C@H]%11C%10CC8C(C)(C68C36CC[C@@]86C53[C@H](C)CC34C1)[C@]1(C)CCCC97C1)C2"]
["170819251","CCC12C3CC1[C@]1(S)C[C@@]34C(C)C241"]
["184210620","C1CCC(C23C4CC56CC78C9%10CC9C27C5(C%10)C3C468)C1"]
["195398392","CCC1C2C3C4C(C)C56CC78CC59CC5%10C%11%12C%13%14C%15C%16C%17C%18C%19C%20CC6%21C%206C%17%19C%17(C%18%16%13)C%15(C%11%13C95C7%21C6%17%13)C%145C%126C7C9C%11C%12%13C%14%15CC3C2%14C1%12C1(C%15)C%11%13C96[C@]1(C48)C7%105"]
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["60507395","C[I-]C(CI)(OCI)C(CI)(CI)C(CI)(CI)OCI"]
["147657946","CCC(C)OC(=O)C(C)(C)CI"]
["68285480","COC(C)OCI"]
["179224612","CCC(Cl)([I-]C)C(Cl)(I)I"]
["174755569","COCC1CCCN1[I-]I"]
["172486555","CC(C)(C)OCCI.CN(C)C(=O)CCl"]
["95307282","CCOC(C)(CC)C(=O)C1CCCC1"]
["79964428","CC(C)C[C@H](C(=O)OCI)N(C)C(=O)OC(C)(C)C"]
["197182461","CC(CCl)(CI)OCC1CCCCCC1"]
["187989194","CC1(OC(=O)C(C)(CO)CI)CCCC1"]
["74475212","[CH2]C(CC)(CC)OC1CCC1"]
["186493332","CCN(CC)OCI"]
["174239383","CS/C(NCCF)=C(/NCCF)S[N+]1(C)SC(NCCF)=C(NCCF)S1"]
["182088180","CSC(=C[N+](=O)[O-])NCC(O[SiH](C)C)(c1ccc(F)cc1)C(C)(C)C"]
["113130951","N=C(O)COCCNCCF"]
["86207161","CCN(CC)C(CNCCF)c1ccccc1"]
["80405807","COC(=O)CCc1ccc2c(c1)CCO2"]
["120706143","COC(=O)CCNc1cc(C)cc(C)c1OC"]
["116519885","CCN=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1c(CC)noc1CC"]
["6346726","Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCCc2ccccc2)c2cccs2)cc1"]
["111853698","COC(=O)C(Br)CNCCF"]
["83985160","CCNC1=C(C(C)=O)SC(C(C)=O)=C(NCC)S1"]
["112542734","CSc1nc(NN)cc(NCC(O)C(F)F)n1"]
["162373318","O=C(O)c1cc(Cl)ccc1NCCF"]
["81643008","CI=N[S+](P=O)P=O.[U]"]
["168158277","CC(=O)/C(C(C)=NC(C)(C)C)=C(\\C)O"]
["185821175","CN=C(C)/C(C)=C(\\C)Cl"]
["98215224","CC(=N)CN=O"]
["63602066","CCC(CC)(CN=C(C)C(C)=O)CN=C(C)C(C)=O"]
["43621659","CC(=NCl)C(=O)NC(CC(C)C)C(=O)O"]
["307389","C[C@@H]1N[C@H](C(O)=NCC#N)C[C@@H]1C(=O)N(C)C"]
["169815599","CCC(CC)(CF)CP=O"]
["193799616","C.CC(C)=O.CN=C(C)O"]
["194165805","O=C=O.[3H][B]SC/C=C(C)/C=C/CC"]
["174091311","CC(=O)C(N)=NCl"]
["84160586","C[Te]C(=[Se])N=C(C)[O]"]
["174567629","C1=CN=CN=NC=1"]
["79255948","C1=CN=NC=1"]
["174384562","C1=CC=NC=NC=1.CC"]
["102909352","N=NC1=CN=C[N]1"]
["178126876","NC1=CN=CN=CN=N1"]
["178784426","C#C[N+]1=C=CN=C1"]
["171978477","C=C1C=NC=N[N]1"]
["141241298","c1ccc(CN(Cc2ccccc2)Cc2ccon2)cc1"]
["73766348","C=CCC1=C=CN=C[N]1"]
["26875243","N[C](N)NC1=C=CN=N1"]
["26070797","ClC1=C=CN=C[N]1"]
["42933569","C1=CN=C[N-]C=1.[Br-].[Zn+2]"]
["189194032","C=C(C)/C(C)=C(S)\\C(=C(\\C)CS)C(C)(/C(C(=C)C(/C(C#N)=C(/S)CC)=C(/CC)CCC)=C(\\C)CC)c1c(C)c(C)c(O)c(C)c1C"]
["160365518","C=C(CC)C(c1c(C)c(C)c(C)c(C)c1O)(c1cccc2nn[nH]c12)c1cccc2nn[nH]c12.CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1"]
["170491960","CCCCCCCCCC(O)=NC(S)=Nc1ccc(Cl)c(Cl)c1"]
["63654237","CCCc1ccc(C#N)c(SCCC(O)=Nc2ccc(Cl)c(Cl)c2)n1"]
["161625131","C=CNc1cccc(Cl)c1/C(O)=C(\\C)C(=C)N(CC)c1c(C)c(C)c(C)c(O)c1C"]
["73956480","C=C/C(C#N)=C(/Cc1ccc2[nH]ccc2c1C)C(/C=C/CCN1CCC(N=C(O)OC(C)(C)C)CC1)=C(C)C"]
["168342818","CCC(O)(c1ccc(NC2NN([C@@H](CC#N)C3CC3)C3CCN=C(O)C23)cc1)C(F)(F)F"]
["MCULE-4849683519","CCCCCC(O)=Nc1cnccc1-c1cccc(C)c1C"]
["MCULE-3899181225","CCCCCCn1c(O)c(N=Nc2ccc(Cl)cc2)c(C)c(C#N)c1=O"]
["187808393","C=C(c1cc(/C(C)=C/N=C(C)CCC)c(C2CCC2)cc1C)N1CCC(c2ccc(C#N)cc2)CC1"]
["81507822","CCCCC(O)=Nc1ccc(C)c(S(=O)(=O)NC2CCN(C#N)C2)c1"]
["175166989","CCOC(=O)c1c(C2CCC(c3ccccc3)C2)noc1N.N#CC(C(=O)O)=C(N)C1CCC(c2ccccc2)C1"]
["161674334","[2H]B1C([2H])=C([2H])C([2H])=C([2H])N1[2H]"]
["176145872","[2H]c1[c-]c([2H])c([2H])c([2H])c1[2H].[Cl-].[Zn+2]"]
["176119765","[2H]c1[nH]nc(C)c1C"]
["63807742","[2H]c1[c-]c([2H])c([2H])c([2H])c1[2H].[Br-].[Mg+2]"]
["50234292","[2H]N=c1n([2H])c2c([2H])c([2H])c([2H])c([2H])c2n1[2H]"]
["172736223","[2H]c1nn([2H])c([2H])c1C(=O)O"]
["190675878","[2H]c1ccnnc1.[2H]c1cnncc1[2H].c1ccnnc1"]
["172401733","[2H]c1nnn([2H])c1[2H]"]
["176004849","[2H]C1=CN([2H])C([2H])([2H])N1C"]
["175703476","[2H]N1C=CCC=CO1"]
["175796880","[2H]N1C=CN=NN1"]
["175961601","[2H]c1c(Br)c(O)nn1[2H]"]
["53592038","C#Cn1cc[nH+]c1"]
["19463376","C[C@H](N=C(O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1"]
["20963929","Brc1cc(CNCc2ccccc2-n2cc[nH+]c2)cs1"]
["22598751","CC(C)c1cccc(N=C(O)[C@H](C)n2cc[nH+]c2)c1"]
["20095882","O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(=O)c2ccoc2)CC1"]
["20392187","COCCOc1cc(C)ccc1N=C(O)[C@@H](C)n1cc[nH+]c1"]
["162427080","C#CCn1cnc(C(C)C)n1"]
["22367037","Cc1ccc(NC(O)=NCCCn2cc[nH+]c2)cc1C"]
["20108792","O=C(c1cccs1)N1CCC(Cn2cc[nH+]c2)CC1"]
["43097158","OC(=NCCn1cc[nH+]c1)NCc1cccc(C(F)(F)F)c1"]
["19027530","OC(C=C(C1CC1)C1CC1)=NNC(O)=NCCCn1cc[nH+]c1"]
["22186239","OC(=NCCCn1cc[nH+]c1)NC(C1CC1)C1CC1"]
["98473065","Clc1ccc(C(c2cnc[nH]2)N2CCN(c3ccc(N=c4ncnc5nc[nH]n45)o3)CC2)cc1"]
["105076650","C[C@@H](C(=O)N1CCNCC1)c1ccc(Cl)cc1"]
["61446077","O=C(O[C@H](C(O)=NCc1ccccc1)c1ccc(Cl)cc1)c1ccco1"]
["185964115","N=c1[nH]ccc(Sc2cnc(N3CCC4(CC3)Cc3nc(Cl)sc3C4)n3ccnc23)c1Cl"]
["32789037","Clc1ccc(C(C#Cc2ccccc2)N2CCOCC2)cc1"]
["MCULE-5519123100","O=c1cc(CN2CCCCC2)n(CCc2cnc[nH]2)cc1OCc1ccc(Cl)cc1Cl"]
["153336111","C[C@H]1COc2c(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23"]
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["66387774","COC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccoc2)CC1"]
["69282743","N#Cc1ccc(N2CCN(CC(O)=Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)o1"]
["7751229","Fc1ccccc1N1CCN([C@H](c2ccccc2)c2nnnn2CCc2ccccc2)CC1"]
["184493797","CC1CCC(OP(OC2CCCCC2)OC2CCCCC2)C(C2CC(C)CCC2OP2OC3CCC(C)CC3C3CC(C)CCC3O2)C1"]
["178361685","CC1CC(C(=O)OCOC2CCCCC2)C([C@H](C)OC(=O)CC(C)C(C)(C)C)C1"]
["MCULE-4928032376","COCCN(CCOC)C(=O)c1nonc1OCC(=O)OC1CCCCC1"]
["158586443","C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(O)=N[C@H]2CCCC[C@@H]2C)C1"]
["44958078","CCOP(=O)(OC1CCCCC1)OC1CCCCC1"]
["126758228","COCCCOC1CN(C(=O)C2CC2C2CCCCC2)C1"]
["59044713","COC1CCCCC(OC)CC(C)C1"]
["86526274","CC1CCC(N)C(C2CCCCC2)C1"]
["85958519","CNC(COC1CCCCC1)C(C)C"]
["91128638","C=C1CC(OC2CCCCC2)=C(CCCC)C1=O"]
["98364288","CC1CCC(C(C)C2CCCCC2C)C(C)C1"]
["113546512","CC1CCC(C(N)C2=CCCCCC2)C1"]
["180103715","N=C1C=CC(=C2Nc3c(cc(O)cc3I=C3C(O)=CC=C4[N-]C(c5ccc(CI)cc5)=S=C43)S2)C=C1"]
["77793319","CC1=C(C(O)=Nc2ccccc2)SC2NC(CSc3cc(C)ccc3C)N=C(O)C12"]
["168668492","N=c1[nH]c(-c2ccccc2)c(N=Nc2cc(Cl)ccc2Cl)s1"]
["174100230","ICc1ccc(-c2cnc3c[nH]nc3c2)cc1"]
["32885561","C=CCc1ccc(O)c(-c2cc(CC=C)c(O)c(-c3cc(CC=C)ccc3O)c2)c1"]
["50408315","COc1cc(C[C@H](C(O)=Nc2ccccc2)c2nn[nH]n2)ccc1O"]
["MCULE-2719604302","COCc1ccc(-c2cc(C)ccc2C(=O)N=c2cccn[nH]2)cc1"]
["59378012","CCc1ccc(-c2[nH][nH]c(=N)c2-c2ccc(C)cc2)cc1"]
["52156903","N=c1cc2c(c(N)[nH]1)N/C(=C1/C=CC(=O)C(O)=C1)S2"]
["MCULE-6615231649","CCc1ccc(CNCCC(O)=Nc2nc(-c3ccc(CC)cc3)cs2)cc1"]
["MCULE-8391643932","Cc1ccc(-c2csc(-c3ccc(CN=C(O)c4sc(C5CCCCC5)nc4C)cc3)n2)cc1"]
["184120481","Cc1ccc(CC2(C(=O)O)C=CC(c3ccc([O-])cc3)=CC2)cc1"]
["161682810","C1O[As]=[O+]CC12CO[As-]OC2"]
["65176163","[CH-]1OCC2(CO1)CO[CH-]OC2.[Y].[Y]"]
["67355465","C1NNCC12CNOC2"]
["69973386","IC1CC2(COC2)C1"]
["144791511","CC1(C)CNC(CC2CCCN2)OC1"]
["53999131","CC1=[O+]CC2(CC2)CO1"]
["181421748","CC1(C)CC[P+](=O)OC1"]
["189921920","C1NCC12COC2.NC1CCCCC1"]
["44102214","O=[P+]1OCC2(CO1)CO[P+](=O)OC2"]
["197528387","FCC1(CF)CC2(C1)NCC1(COC1)CO2"]
["184998654","CC1=[O+]CC(C)(CO)CO1"]
["100359533","O=S1(=O)CCC2(CCS(=O)(=O)OC2)CO1"]
["175309742","C1#C[CH]NOC#C1"]
["97578171","CC1(C)C#C/C=C\\C#CC#C/C=C\\C#C1"]
["174673551","C1CN2CC2O1.Nc1cncc(C2CC2)c1"]
["79342172","C1#CNO[CH]1"]
["59566976","C=C1N=CNO1"]
["79329688","[C]1=NONC=C1"]
["74705359","O=[N+]([O-])C1[C]=CNO1"]
["49761589","C1#C[CH]SC#C1"]
["185711896","OC1(O)C#CC#CC=CCCC1"]
["75287919","SP1NCCO1"]
["26058417","C1=NOSN1"]
["79774422","[c]1cpp[nH]1"]
["179800769","C1C2C3C[C@H]4C[C@H]5C1C2S5(C3)C4"]
["23442146","Cc1cc(C2CC3CCC2C3)cc(C)c1O"]
["165793088","O[C@@H]1C2CC3CCC1C(C3)C2"]
["180204049","C1CS2(C3CC13)C1CC12"]
["83996377","O=S1(=O)CC2C3CC3C2C1"]
["32620058","Br[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](I)(C3)C2"]
["178762330","CC1CC2CC(C[C@@H](O)C2)[C@@H]1N"]
["162261413","OC1CC2CC3CCC2C(C1)C3"]
["151289211","O=C1O[C@H]2CC[C@H]3C[C@H]4[C@H]5C[C@H]6CC[C@H]7OC(=O)[C@@H]([C@@H]1[C@@H]4[C@@H]32)[C@@H]5[C@@H]67"]
["151289188","O=C1O[C@H]2CC[C@H]3C[C@H]4[C@H]5C[C@H]6CC[C@H]7OC(=O)[C@@H]([C@@H]1[C@@H]4[C@H]32)[C@@H]5[C@@H]67"]
["25152217","ClC1CC2CCC1C2"]
["161699631","OS12#SC3CC(CC(C3)C1)C2"]
["170969887","CC1=C(C)[Te]C2=C(C=C3C=CC=[Te]=C3[Te]2)[Te]1"]
["173126641","CC1=CC=CC=C2[CH]C=CC(C)=C12"]
["46788153","C[C]1C=CC=C1C(C)=O"]
["163617411","Cc1c[nH]c(C(=O)[O-])n1.Cc1c[nH]c(C(=O)[O-])n1.[Co+2]"]
["56796752","CC1=[N+]2C(=CN3CCN4C=C5C=CC(C)=[N+]5C342)C=C1"]
["171526794","[B+]=C1C=C(c2ccc(C)cc2)C=C[N-]1"]
["193856305","Cc1ccc(C2=CC=CC=CC=C2)cc1.[Os]"]
["25863242","CCC(CC)=C1C=CC(C)=C1"]
["176488084","CC1=CC=CC(c2ccc(C)cc2)=CC=C1"]
["149554622","Cc1nc(Oc2cc(C(C)(C)C)cc(P(=O)(O)O)c2)cc(OC(C)(C)C)n1"]
["97542392","COC(=O)C1=CC=CC2=CC(C)=CC=C(C(SC)SC)C2=C1C(=O)OC"]
["79718020","C[C]1C=CC=P1.[Zr]"]
["179438936","CN=C1C(=[N-])C(=C2B=C(C)C=C2)C(O)=C(N)C1=C1C=C[C](C)S1"]
["59060990","Cc1cc(N)c(O)cc1Br"]
["90917438","CC1=C(C(=N)O)SC2=NC=NC(=S)C21"]
["69607937","C[N+](C)=C1C=CC(=C2C(=O)C(=O)C=C2O)S1"]
["87880166","CN=C1NN/C(=C2\\C(C)=Nc3ccc(O)cc32)S1"]
["162844383","CSc1cc2sc(O)cc2cc1N"]
["82915375","CN=C(O)C1CC(N)CN1c1cc(C)nc(N2CCCCC2)n1"]
["69547430","Cc1nc2cc(OC[C@@H](C)N=C(O)c3nc(O)nc(O)c3N)ccc2s1"]
["87062380","Cc1cnc(N=C(O)c2cc(N)cc(Cl)c2)s1"]
["85103815","Cc1cc(C(C)(C)C)cc(C)c1CC(N)c1cscc1Br"]
["184465080","CN=C(O)CN1CCC[C@@H](c2cc(C)c(N)cc2C)C1"]
["MCULE-7727540481","Cc1nc(O)c2cc(C)c(N)cc2n1"]
["59826579","C1CNCC[N+]2(CCNC2)[N-]1"]
["67174811","C[N+]1(C)CCNC1.[OH-]"]
["76555355","Cl.NC[C@H]1CNCCO1"]
["145225536","C[N+]1(C(=O)O)CCNC1"]
["26493794","O=C(O)[N+]1(C(=O)O)CCNCC1"]
["55814961","C1C[N+]2(CCN1)CC2"]
["176042291","OCC[N+]1(CCO)CCNCC1.[Cl-]"]
["54512424","CC[N+]1(COC)CCNCC1"]
["64034044","C1CN1.CCO"]
["99566314","C1CNCCNCCNCC[N-]1.F[C-](F)F.[Ti+2]"]
["195988467","CC(C)(C)[N+]1(O)CCNC1"]
["79686106","C1CNCCNCC[N-]1.Cl.[Ti+]"]
["97064522","CCC1=[Ge]=C(CC)[C-](CC)[C-]1CC"]
["178999277","CCC1=CCC(C2CCCC2)C1"]
["170821388","CCc1sc(Br)c(C)c1C"]
["95074938","CCc1ccc(CN[C@H]2CC[C@H](C)CC2)s1"]
["25415634","CCc1cc[c]c(Cl)c1Cl"]
["148814321","CCC1=CN=CC[N+]1(CC)CC"]
["174424916","CC.CCc1ccc(CC)o1"]
["91612008","CCC1=C=CC[C]1C.CCC1=C=CC[C]1C.[Hf]"]
["25254079","CCc1ccc(C(=O)Cl)cc1Br"]
["150072241","CCc1c(C(F)(F)F)[nH]c2ccccc12"]
["149884926","C=C(CC)C(=CC)C(C)CC"]
["20017744","CCCN1CCC(N2CCN(c3cc[nH+]cc3)CC2)CC1"]
["175557183","CC.CC(C)(C)N/C=C(\\N)CN(C/C(N)=C/N(N)C(C)(C)C)C/C(C=NCCC=O)=N/N.CO"]
["175914592","CCC(C)C/C(C=NCCN=C(C)O)=N/N"]
["97079482","CC(C)(C)c1cccc(/C=N/CCc2ccccn2)c1O"]
["176121764","CN(CCc1ccc(NC(=O)C(CC(C)(C)C)N=C(O)OC(C)(C)C)cc1)C(CC(C)(C)CCC=O)C(=O)O"]
["54334999","CC(C)(C)c1ccc(C(=O)S(=O)(=O)NC(CCCC=O)C(=O)O)cc1"]
["176204710","CN(C)C(C)(C)C.COc1cc2c(cc1/C(C=NCCO)=C/N)-c1c(c(C=O)nn1-c1cc(Cl)cc(Cl)c1)CO2"]
["161250207","CC(C)(C)c1cc(CS(C)(=O)=O)cc(N=CC=O)c1"]
["197767034","CCC1CCCC(N=C/C(=N\\N)c2ccc(NC)cc2)C1.O=Cc1ccc(ON2CCCCC2)cc1"]
["175680115","CNc1ccc(N=C/C(=N\\N)c2ccc3ccc(/C(N)=C/Nc4ccc(NC(=O)CN5CCCC5)cc4)cc3c2)cc1.O=CCN1CCCC1"]
["174020333","CC[C@@H](C)C(O)=N[C@H](C)C(O)=NCCCCCN=CC(C[C@H](N=C(O)CC[C@H](C)C(=O)O)C(=N)O)=NN"]
["MCULE-3391620529","CCC(N=C(O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1"]
["173394225","C#C.C/C=C\\C(CC)=N\\N(N)c1cc(C(C)(C)CC)cc(C)c1O.CC"]
["78268328","[H].[Pb+].n1nn[n-]n1"]
["68562853","CS1=NN=NN1[Si](C)(C)C"]
["171040941","N1=NC(=NN=c2[n-]nn[n-]2)N=N1.[Pb+].[Pb+]"]
["34342360","CC[NH2+]CC.c1nn[n-]n1"]
["190692604","C[Si](C)(C)[O-].[H].[Pb+]"]
["7171601","Cn1cnc(I)c1I"]
["53087104","c1c[n-]nn1"]
["173373290","[H].[O-]c1ccccn1.[Sn+]"]
["195481495","[Rh].c1c[n-]nn1"]
["69573566","[CH2-]C.[W+2].c1nn[n-]n1"]
["168388846","[Sn+].c1nn[n-]n1"]
["171172519","[CH3].[Sn+].c1nn[n-]n1"]
["184306314","OC(C#CC1CCC(F)C(F)C1F)C1CCC(Br)CC1"]
["69115698","OC(=NCCC(O)C(F)(F)F)C1CC2CCC1C2"]
["108165932","CCOC#C[C@H](O)C1CCCC1"]
["171160175","Cl.N[C@H](c1cc(F)c(F)c(F)c1)[C@@H](O)C1CC1"]
["94812729","OC(=NC1CCC(Br)CC1)c1cnn[nH]1"]
["179847370","Cc1nc2c(n1C1NC=NC(=N)N1)C(C)C(C#CC(O)C1CC(O)C1)C#C2"]
["184548799","COc1c(C(O)=NCC2CCC(F)C(F)C2F)c(C(C)N)n2c1C(O)=NCC2"]
["64619303","CCCC1CCC(C(OO)C2CCC(C3CCC(CC)CC3)CC2)CC1F"]
["147152994","N[C@@H]1CN(CC(O)=NC(C2CC2)C2CC2)C[C@H]1c1ccccc1"]
["75183311","OC[C@H]1CCCC[C@H]1F"]
["94530696","OC(C1CCOC2(CCOCC2)C1)C1CC2CCC1C2"]
["86072545","C#CC(O)C1CCNCC1"]
["178813787","S=C1CCc2cc(C(C3CC3)n3cccc3)cc3c2N1CC3"]
["105081864","O=C([C@@H](c1ccc(F)cc1)C1CC1)N1CCNCC1"]
["14390766","CN1CCc2cc([C@@H](C#N)N3CCOCC3)ccc21"]
["159027630","Fc1cc(Cl)cc([C@@H](C2CC2)N2CCOCC2)c1"]
["89907799","Cc1cc(C)c(N=C(O)CC(c2ccc(Cl)cc2)C2CC2)c(C)c1"]
["174196254","Cc1cccc([C@H]2CCCN2C(C)C)c1"]
["MCULE-7949467765","COc1ccc(C(C2CCC2)n2nc(C(C)C)c(C=O)c2N)cc1F"]
["8910487","OC(=NC[C@@H](c1cccc(F)c1)N1CCOCC1)NC(C1CC1)C1CC1"]
["56281941","CC(Nc1ccc2ncccc2c1N)C1CC1"]
["178912200","CC(CN1CC[C@@H](C(=O)Cc2ccc(N=O)c(N)c2)C1)C1CCC(c2cccc(-c3ccoc3)c2)CC1"]
["74955150","CN1CCCC1CCOCc1cncc(N2CCc3cc(Cl)ccc3C2=O)c1"]
["96402557","CC(O)C1CCN(c2ncnc(O)c2N)C1"]
["198175144","c1cc2c3c(c1)N1B(OB3OB3B2Oc2cccc4cccc3c24)Oc2cccc3cccc1c23"]
["78665837","Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O"]
["164798554","COc1ccc2c(c1)C(N=C(O)CN1C(=O)c3cccc4cccc1c34)CC(C)(C)O2"]
["185762262","CC(=O)OCc1c(B2OCC(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O"]
["52309444","C[C@H](c1cccc([N+](=O)[O-])c1)N1c2cccc3cccc(c23)S1(=O)=O"]
["141387046","CC1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1C"]
["8897190","O=S1(=O)c2cccc3cccc(c23)N1CC(O)=NC[C@H]1CCOC1"]
["91470982","Cc1cccc2cccc(C#CCCCC#Cc3cccc4cccc(C)c34)c12"]
["198349870","COS(=O)(=O)OC1=c2ccc3c4c(ccc(c24)C(=Nc2cccc4cccc(C)c24)C1)C1=Nc2cccc4cccc(c24)N1C=3OC=O"]
["176511197","c1ccc(-c2cccc3c2-c2ccccc2C32Cc3ccccc3OCc3ccccc32)ccccc2ccccc2ccccc2ccccc2cc1"]
["196013588","[2H]C1(C)C2=C(C)N(c3ccccc3C)C(C(C)(C)C)N2c2ccccc21"]
["167234362","CCC1=[N+](C)OC2c3cccc4cccc(c34)C12"]
["51013601","C1=CC(=CN=Nc2ccc3n[nH]c[n+]3n2)C=CN1"]
["169942739","N=C(/C=C\\C(N)=C1C=CNC=C1)NC1N=C(c2ccccc2)c2ccccc2N=C1O"]
["166193578","N/C(N=O)=C1/C=C(Cc2ccccc2)C=CN1"]
["59172565","CC(C)(C)OC(O)=Nc1ccc(C2=C(/N=C3\\C=CC4=C(N=O)CCC4=C3)N3C=CNC=C3N2)cn1"]
["197313041","CC(C)(C)OC(O)=NC(C)(C=O)c1cc([N+](=O)[O-])n[nH]1"]
["MCULE-8733170711","Cc1n[nH]cc1-c1ccc(N=C(O)C2CC(=O)N(C3CCCC3)C2)nc1C"]
["186952667","Cc1n[nH]cc1S(=O)(=O)N=C(O)C1CC1"]
["91324008","O=[N+]([O-])C1=CC(=CN=NS(=O)(=O)c2ccccc2)N(O)C=C1"]
["100265484","O=S([O-])c1ccc2c(c1)C=CNC=C2"]
["74240948","CC(O)=NC=C1C=C[C](CBr)C=C1"]
["69885151","CN=c1nc(OC(=O)C(O)C(O)C(=O)Oc2nc(=N)nc(-[n+]3cccc(C(=O)O)c3)[nH]2)[nH]c(-[n+]2cccc(C(=O)O)c2)n1"]
["154759798","C=C=CCN=C(O)C(NOCC(=O)OCC)=C1C=CN=N1"]
["99853240","COP(C)(=PC)PP=PC"]
["53511980","COC(C)(C)P(=O)(OC)OC"]
["84127590","COP(=O)(I)OC"]
["93668748","COc1ccc(C(N)c2ccc(Br)cc2Cl)c(OC)c1Br"]
["49403938","COC(=O)C(N)P(=O)(OC)OC.O=C(O)C(=O)O"]
["190711749","COP(C)(=O)OC.COP(C)(C)=O.CO[P+](C)=O"]
["91178906","COC(O)=NP(=S)(OC)OC"]
["50900737","CCSP(=O)(OC)SCC"]
["53028233","COC(=S)SP(=S)(OC)OC"]
["193804009","COP(C)(N)=O.CP(C)(N)=O"]
["192541816","COP(C)(=O)OC.CP(=O)(O)O"]
["148807385","COP(C)(=O)C[C@@H](O)[C@H](CC(C)C)[N+](C)(C)C"]
["180257078","C=BC1C2CCC3C45CCC(CC4)(C5S)C13CC2"]
["157886259","C[C@@H]1CC[C@@]12[C@H](N)C2(C)C"]
["75041128","C=C1C2CCC(S)(C2)C1(C)C"]
["155055946","O[C@@H]1CCC[C@@]23CCC[C@]12CC3"]
["172094414","CC1C[C@]23CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@H]1C3"]
["76250552","CC1(C)CCCC2(C)C1CCC13CC(CCC12)C(C(=O)O)C3"]
["178799231","C=[N+]1CC1C1(C)CC12CC2C1CC1"]
["184307324","[CH-]1CC12CCC(C1CC1)CC2.[U]"]
["176739365","C=CC12CCCC1C1CCC3C4(CCC5C(C)(C)C(C)CCC534)C1CC2.CC"]
["179963917","CC1=CC23C4CCC42C3C1"]
["28412552","CCCOC1CCC(C2CCC3(CC2)C(=O)C2(CCC(C4CCC(OCCC)CC4)CC2)C3=O)CC1"]
["99860886","CC(C)[C@@H]1CC[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]21.CC(C)[C@@H]1CC[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]21"]
["150046049","C=CCS(C)(CCC)CCCC(CCS(C)(CC=C)CCC)C(CCS(C)(CC=C)CCC)C(S)CCS(C)(CC=C)CCC"]
["94179538","C=CCCCC(NCC)c1cncc(C)c1"]
["99337441","CCCCC(CCC)[O+]=[Si-]CC[Si-]=[O+]C(CCC)CCCC"]
["150931447","C=CC[C@H](CCC)C(=O)OCC"]
["174048685","C=CCCC=CCCCC=CCCC"]
["170094967","C=CS(=O)(=O)N(c1ccc(S(=O)(=O)Nc2cccs2)cc1)C(CCCCCC)C(=O)O"]
["113905569","C=CCCCCCC(NN)C(C)(C)N(C)C"]
["191120836","CCC=C[P+](C=CCC)(C=CCC)CCCCCCCCCC.[I-]"]
["52918693","C=CCCCCCC(CCC)N(CC)CC"]
["169730369","[CH2]CC(CCC)C(CCCC)CCCC"]
["91070640","CCCC[P+](CCCC)(CCCC)CCCCCC[P+](CCCC)(CCCC)CCCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]"]
["180726323","C=I1=CC=NC(S(=O)(=O)C/C=C/C(C)CCC)=C1"]
["179236921","Sc1nnc(Sc2ccc(N=S3NC4C=CC=CC=C4S3)cc2)s1"]
["168174052","Cc1cccnc1/N=C/c1sc(S)nc1O"]
["161806238","O=S(=O)(Cl)c1ccc(Nc2nnc(Sc3ccc(Cl)cc3)s2)cc1"]
["10767164","CSc1cccc(-n2c(C(C)(C)C)cs/c2=N/c2ccccn2)c1"]
["5361966","Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1c1nnc(C(O)=Nc2ccc(Cl)cc2)s1"]
["12221693","CCSc1nnc(N=C(O)C[C@H]2CSc3nc(CC)cc(=O)n32)s1"]
["154314191","CSc1nnc(SC2=C(O)C[C@H](c3ccccc3)CC2=O)s1"]
["152616660","CCOC(=O)C1=C(C)N=c2s/c(=C3\\C(O)=Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(SC)cc1"]
["124202671","OC(CSc1nnc(S)s1)=NCC1(c2cccc(F)c2)CCCCC1"]
["50965569","OC(CSc1nnc2c(n1)[nH]c1ccccc12)=Nc1ccccc1Sc1ccc(Cl)cc1"]
["112039319","Cc1nc(S)sc1CC(O)=Nc1ccc(Cl)cc1I"]
["83371586","NC1CC(O)=NC(SCC(O)=Nc2nnc(-c3ccccc3)s2)N1"]
["183198701","[N-]=N[N]C1[B+]CCO1"]
["181324998","[N-]=[N+]=NC1COCCC1N"]
["197234106","[N-]=[N+]=NCC1OCCC12CC1CCC(C2)N1"]
["74560962","[N-]=[N+]=NC[C@@H]1OCC[C@H]1O"]
["95227060","CNCC(C)NCC1CCCCO1"]
["106898564","C[C@@H](C=O)[C@@H]1CCCCO1"]
["173408315","COC1=CC(N2CCOCC2)C(=[O+]C)C=C1N=[N-].Cl"]
["182173740","[N-]=[N+]=NC1CCOCC=N1"]
["181383340","[N-]=[N+]=NC1CCCCOOC1"]
["184084255","[N-]=[N+]=NCCCC1CCCCC1Cl"]
["174505613","C1=CC=CN(C2CCCCCO2)C=C1"]
["128772168","Cl.NCC(N=C(O)C1CCCCO1)C1CCCCC1"]
["24930636","ClC1=C=C2C#CS[C]2C=C1"]
["25144645","F[C]1C=CC(Cl)=C=C1Cl"]
["99178667","Clc1cn[c]s1.O"]
["90214597","COc1ccc(Cl)c(F)c1C(C)(C)N"]
["75915536","CC(C)(C)[C]1C=C=C(Cl)C=C1"]
["114515054","COc1cc(N=c2[nH]c3ccc(Cl)cc3s2)ccc1Cl"]
["174641903","CC.CC1=CC(Cl)=C=CC=C1"]
["75712720","OCCCSC1=CC=C=C(Cl)[CH]1"]
["113590560","CC(=O)c1sc(=Nc2ccc(Cl)c(F)c2)[nH]c1C(=O)O"]
["74195694","Oc1cccc([C]2C=CC(Cl)=C=C2Cl)c1"]
["93637108","O=S1(=O)CC(Br)C(OCc2ccc(Cl)cc2)C1"]
["47634811","Cc1ccc(C(=O)COc2ccc(Cl)cc2Br)c(C)c1"]
["78367338","ClC(=[Cl+])C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)[C-](Cl)Cl"]
["173947873","CC(C)(C)C(=O)CC(=O)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl"]
["182493044","O=C=C(Cl)C(=O)Cl"]
["54485194","Cl/C(=N\\C(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"]
["161728878","CC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)=C(Cl)Cl"]
["147800110","O=C(Cl)C(Cl)(Cl)C(F)(F)F"]
["161826917","O=[N+]([O-])C(F)(F)C(O)(Cl)C(F)(F)F"]
["78191192","C=C(Cl)C(Cl)(Cl)C(=C)[C](Cl)Cl"]
["26795797","O=C=C(Cl)[C](Cl)C(=O)O"]
["171059626","CC(=S)C(Cl)(Cl)Cl"]
["91586918","O=C(Cl)C(Cl)C(Cl)(Cl)Cl"]
["11858867","N#CC(N=C(O)C(Cl)(Cl)Cl)=C(Cl)Cl"]
["76239750","[1CH3][1C]([1CH3])([1CH3])[Si]([1CH3])([1CH3])[1O][1c]1[1cH][1cH][1c]([1CH]2S[1CH2][1CH2][1CH2]S2)[1cH][1cH]1"]
["76239846","[1CH3][1C]([1CH3])([1CH3])[Si]([1CH3])([1CH3])[1O][1c]1[1cH][1cH][1c](-[1c]2[1cH][1n][1c]([1NH2])[1cH][1n]2)[1cH][1cH]1"]
["76239962","[1CH3][1O][1c]1[1cH][1cH][1c]([1CH]2[1CH2][1C]([1CH3])=[1N][1N]2[1C]2=[1N][1C](=[1O])[1CH2]S2)[1cH][1cH]1"]
["69491976","[1CH2]=[1C]([1CH3])[1C]([1OH])([1C]#[1C][1CH2][1CH2][1O][Si]([1CH3])([1CH3])[1C]([1CH3])([1CH3])[1CH3])[1C]([1CH3])([1CH3])[1c]1[1cH][1cH][1cH][1cH][1cH]1"]
["76239776","[1CH3][1O][1c]1[1cH][1cH][1c]([1C@H]2[1O][1c]3[1cH][1c]([1O][1CH3])[1cH][1cH][1c]3[1C@H]([1OH])[1C@@H]2[1OH])[1cH][1cH]1"]
["76239942","[1CH3][1O][1c]1[1cH][1cH][1c]([1CH]2[1N]([1CH3])[1C](=S)[1C]2([1C]#[1N])[1C]([1CH3])([1CH3])[1CH3])[1cH][1cH]1"]
["76239653","[1CH3][1CH2][1O][1C@H]1[1CH2][1C]2=[1C]([1C](=[1O])[1O]1)[1C@@H]([1c]1[1cH][1cH][1c]([1O][1CH3])[1cH][1cH]1)[1CH2][1C@H]([1OH])[1O]2"]
["194326182","CC=C[Si](C)(C)O[SiH3].C[SiH](C)CC=C[Si](C)(C)O[Si](C)(C)O[Si](O[Si](C)(C)C=C[Si](C)(C)C)(O[Si](C)(C)O[Si](C)(C)C=C[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C=C[Si](C)(C)C"]
["192812509","C=C[Si](C)(C)O[SiH](C)OC.C=C[Si](C)(C)O[Si](C)(C)OC"]
["167308571","C[Si](C)(/C=C/CCCC#N)O[Si](C)(C)/C=C/CCCC#N"]
["82142132","CC=CCc1ccccc1C1(Cl)NC=NC(Cl)=C1Cl"]
["78289520","C[SiH](CCCc1ccccc1)O[Si](C)(C)O[SiH3]"]
["96620470","CCCCCC/C=C\\[Si](C)(C)O[Si](C)(C)C"]
["172521115","CC=C[Si](CC)(CC)CCN1CCC1"]
["100861827","C[Si](C)(/C=C/C[B-](F)(F)F)c1ccccc1.[K+]"]
["101737083","CCC/C=C\\[Si](CC)(CC)CC"]
["98953322","CC=CC(C)CC(C)C=NCc1ccccn1"]
["98598483","CO[SiH2]O[Si](O[SiH3])(O[SiH3])O[Si](O[Si](=O)O[SiH3])(O[Si](C)(C)O[Si](C)(C)C)O[Si]([SiH3])(OC)OC"]
["91468263","CC[Si](C=Cc1ccsc1)(CC)CC"]
["101176143","COC1=CC=[C+]C2C1=c1c(=C3c4c(OC)cccc4[NH+](c4ccc(C(C)(C)C)cc4)c4cccc(OC)c43)oc3c(-c4ccc5c6c4oc(=C4c7c(OC)cccc7[NH+](c7ccc(C(C)(C)C)cc7)c7cccc(OC)c74)c6c4c(OC)cccc4[n+]5-c4ccc(C(C)(C)C)cc4)ccc(c13)N2c1ccc(C(C)(C)C)cc1"]
["MCULE-1214799099","CC(C)(C)c1ccc(OCCCc2nc3ccc(C(O)=NCC4COc5ccccc5O4)cc3[nH]2)cc1"]
["18309338","COc1ccc(OC)c(N=C(O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c1"]
["149466120","CCOc1ccc(C2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1OCC"]
["103629112","COc1cccc(-c2nc(C(O)=Nc3nc4ccccc4nc3N3CCCC3)cs2)c1OC"]
["65835948","COc1cccc2c1-c1ccc([N+](C(=N)O)(S(C)(=O)=O)S(C)(=O)=O)cc1C(c1cccc(F)c1)O2"]
["MCULE-6715453091","COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)C2c2ccc(C(C)(C)C)cc2)c1"]
["MCULE-8263916229","COc1cccc(OC)c1-c1c(C)nc(N=C(O)C(C)N(C)C(=O)OC(C)(C)C)nc1C"]
["196484596","[2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)cc(-c4ccccc4)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C(C)(c7ccccc7)c7ccccc7)cc6)ccn5)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1"]
["MCULE-5959402353","CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N=C(O)C3CCCC3)cn2)cc1"]
["198553301","COc1cc(C(=O)N2CCC(N3CCN(CCOCCNc4ccc5c(c4)C(=O)N(C4CCC(O)=NC4=O)C5=O)CC3)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C"]
["MCULE-9118729028","COc1cc(N=C(O)CSc2ncccn2)ccc1-c1c(F)cccc1OC"]
["98748075","[CH-]=C1C=CC(C)C=C1N=C1N=C([N-]C2=C=CC(C=[C-]C3C=C=C(N=c4nc(C(C)C)[nH]c(=NC5=CC(C)C=[C-]C5=C)[nH]4)[CH-]C3=C)C(=C)[CH-]2)NC(=CC)N1"]
["MCULE-3258590883","CC(C)CN=c1nc(N2CC(C)CC(C)C2)[nH]c(=Nc2cccc(Cl)c2)[nH]1"]
["186498733","CC1=C\\[C@@H](O)C[C@@H](F)Cc2nc(co2)C(=O)N2CCC[C@@H]2C(=O)O[C@H]([C@@H](C)CN2CCOCC2)[C@H](C)/C=C/C(O)=NC\\C=C\\1"]
["74980272","C=C(C)[C@@H](C)N=c1[nH]c(=NCC2CCCC(CN)C2)[nH]c(=Nc2cc(C(O)=NOC)ccc2C)[nH]1"]
["MCULE-8520051829","Cc1ccc(CN=c2nc(N3CCC(C)CC3)[nH]c(=Nc3cc(C(C)C)cc(C(C)C)c3)[nH]2)cc1"]
["171095686","C=CC(=O)N1CCN2c3nc4c(=Nc5ccc(OC6=CC(=CC)N(/N=C\\C)C=C6)c(C)c5)[nH]cnc4cc3OCC2C1"]
["177860332","C=C(N=C(/C=C\\C)c1nc(=NC2CCC(F)(F)CC2)[nH]c(=Nc2ccnc(C3(C#N)CC3)c2)[nH]1)C(C)(F)F"]
["45151067","CN(CCO)c1nc(=Nc2ccccc2)nc(N=C(c2ccccc2S(=O)(=O)O)C(N=c2[nH]c(N(C)CCO)nc(=Nc3ccccc3)[nH]2)c2ccccc2S(=O)(=O)O)[nH]1"]
["171970739","O=S(=O)([O-])[C-]1C=C(N=c2[nH]c(Cl)nc(=Nc3ccccc3)[nH]2)C=CC1=C=CC1=C=CC(=NC2=NC(Cl)=NC(Nc3ccccc3)N2)C=C1.[Na+].[Na+]"]
["68240687","CCN(CC)C(C)N=c1[nH]c(=NCCNS(=O)(=O)Cn2c3c(c4ccccc42)C2OC4=C(Cl)C5=Nc6ccc7c(c6OC5C(Cl)=C4N=C2C=C3)c2ccccc2n7CC)[nH]c(=NC(C)N(CC)CC)[nH]1"]
["MCULE-3761325799","CC(C)CN=c1nc(N2CC(C)CC(C)C2)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1"]
["178210221","C=N/C(Cl)=C(F)\\C(=C/C)[C@H]1[C@H](C(O)=NC2CCC([C@H](C)N=C(O)OC=N)CC2)NC2(CCC(C)(C)CC2)[C@@]12C(O)=Nc1nc(Cl)ccc12"]
["178524028","[B+]=C1CCC([C@@H]2CCCN3NC(C#CC4=C=C(C5CCC5C)C(=[N+]5C=C(C)[N-][CH-]5)CC4)NC23)CC1"]
["182306924","Cc1nc(N(C)C)nc(C)c1CN1CCC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21"]
["190296322","C=S1(O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@H](C2OCC(N)(CO)CO2)CCC[C@H](C)[C@H]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]
["184406620","Cc1cc(C#CCN2CCOCC2)cc(=ICC2CCCC2)[cH-]1"]
["22643593","CC1CCCCC1N=C(O)Cn1c(=O)c2cccn2c2cccnc21"]
["20812989","Cc1cccc([NH+]2CCN(c3ccc(N4C(=O)[C@H]5CC[C@H](C)C[C@@H]5C4=O)cc3[N+](=O)[O-])CC2)c1C"]
["47284359","CCN1CCCC1CNc1ccc([N+](=O)[O-])cc1C"]
["90835012","COCC1CCCN1N=Cc1ccc(C(C)(C)C)cc1"]
["158168665","Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2"]
["171860852","Cc1cc2c(cn1)cc(C1CC(N=C(O)C3CC(C)CC(C)C3)CCC1C)c(=O)n2C"]
["198441205","CC1CCC(F)C2CC(C(O)=N[C@@H]3CCC[C@@H](N4CCC5(CCC(O)=N5)CC4)C3)NC12"]
["80593933","CC1CCCN2C(=O)C3CC4(C(O)=NC(=O)N=C4O)C4CCCCN4C3NC12"]
["78430674","BC1C=NN2C(NCC3C=NC=CC3)CC(C3CCN(C(=O)C4C=C(Cl)C=C(Cl)C4)CC3)=NC12"]
["140161102","COC(=O)c1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)cc1"]
["130975050","CCn1cnnc1C1CCN(C(=O)C2OCCc3ccccc32)CC1"]
["132699759","O=S1(=O)CCCN1CCN=C(O)NCc1cnn(Cc2ccccc2)c1"]
["107344129","CCOC(=O)N1CCC[C@H](C(=O)N2CCCc3cc(Br)cc(F)c32)C1"]
["50318521","CC(C)C(=O)N1CCC(NCc2cnc[nH]2)CC1"]
["10747526","C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3N3CCN(c4cccc(Cl)c4)C[C@H]23)C[C@@H](C)O1"]
["117043493","CCCn1cc(Cl)c(C(=O)N2CCCC2c2ccnc(O)n2)n1"]
["2346713","CCOc1ccc(C2=C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4Br)CC3)N=N2)cc1"]
["19367137","CCN(CC)Cc1cnc2c(C(=O)N3CC[C@H](O)C3)cnn2c1"]
["53205490","O=C(Cc1c(Cl)cccc1Cl)N1CCCC(C(O)=Nc2nccs2)C1"]
["27764153","CNC1(C(=O)N2CCC(c3ccc(Nc4ncc(Cl)c(=NCc5cccc6c5C(C)(C)C(O)=N6)[nH]4)c(C)c3)CC2)CC1"]
["180363828","C1=CC=C2C=CC3=C4C(=[I+]=CC=1C24)C(N1C2=CC=CC4=C5C=CI=CC5=P5=c6ccccc6=C6C=CC=C1N6[C@@H]5N24)C=C3"]
["67065814","C[Si](C)(C)c1cccc(-c2ccc(N(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C(N(c3ccc(-c4cccc([Si](C)(C)C)c4)cc3-c3cccc([Si](C)(C)C)c3)c3ccccc3C(F)(F)F)C=C5)c3ccccc3C(F)(F)F)c(-c3cccc([Si](C)(C)C)c3)c2)c1"]
["196013924","[2H]C([2H])([2H])C1N(c2ccccc2C)C(C)=C2C=CC([2H])(C)N21"]
["1699048","Cc1cc(C)cc([NH+]=C(O)N2CCC3=c4ccccc4=N[C@H]3[C@@H]2c2ccccc2F)c1"]
["83885861","CC1=C(C)C2C(O)=NC(CC(O)=NNC(S)=Nc3ccccc3F)NC2S1"]
["179007894","CC(C)(C)c1cc(C(C)(C)C)c2c(c1)=C1C=CC=C3N1C([O+]=2)C1c2c(ccc4nc(-c5ccccc5)n3c24)C2C=CC=CN21"]
["69772751","CN=C1NC(=N)NC2=CC(=c3ccccc3=C(N)N=O)C=CC21"]
["22400331","Cc1cccc([C@H]2[C@H]3N=c4ccccc4=C3CCN2Cc2ccc(C)s2)[nH+]1"]
["177701168","C1#CC2c3ccccc3C3=CC=CC(=C1c1ccccc1N=c1[nH]c4ccccc4n1-c1ccccc1)N32"]
["56703564","Cc1cccc(N=c2nc(NN=Cc3ccccc3F)[nH]c(N3CCC(C)CC3)n2)c1C"]
["150945566","SC(=Nc1ccccc1)NN=C1N=NC2=c3ccccc3=N[C@@H]2N1"]
["7337190","Cc1cc(C)cc([NH+]=C(O)N2CCC3=c4ccccc4=N[C@@H]3[C@H]2c2ccccc2F)c1"]
["199748216","Oc1cccc2c1=C1[N-]C(Oc3ccc4c(n3)C3=C=CC=NC3=[O+]4)=CC=C1[Si-]=2(c1ccccc1)c1ccccc1.[Pt]"]
["177101995","CC(C)(C)c1cccc(-c2nc3c(C4=C=C(C5=CC(=C=[N-])C=C[N-]5)C=C5C4=[O+]c4ccccc45)cccc3n2-c2ccccc2)c1O.[Pt]"]
["196480721","C[Si](C)(C)c1ccc(C2=C=CC=c3c2[o+]c2ccn4c5ccccc5nc4c32)nc1-c1cccc2c1[N-]C(=c1ccc(=[Si-](C)(C)C)cc1O)N2c1ccccc1-c1ccccc1.[Pt]"]
["175272324","c1ccc(Cc2cccc(N(c3ccccc3)c3cccc(P(c4cccc(N(c5ccccc5)c5cccc(Oc6ccccc6)c5)n4)c4cccc(N(c5ccccc5)c5cccc(Oc6ccccc6)c5)n4)n3)c2)cc1"]
["153133186","C=C(CN1Cc2cccc3nc(O)n(c23)C[C@H]1C)c1ccccc1"]
["172149436","CC(C)c1cccc(C(C)C)c1N1C=C(c2ccc3oc4cccc(O)c4c3n2)[N-]C1=c1cccc2c1=C=CC=N2.[Pt]"]
["198427289","[2H]c1c([2H])c([2H])c(-c2ccnc(-c3cc(-c4cccc5c4nc(-c4cc(C(CC)CC)cc(C(CC)CC)c4O)n5-c4ccc(C(CC)CC)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)c([2H])c1[2H]"]
["12026459","COc1ccc([C@@H](CC(=O)[O-])N=C(O)OCC2c3ccccc3-c3ccccc32)cn1"]
["133072733","Cc1sc(N=C(O)c2ccccc2OCC#N)nc1-c1ccc(F)cc1"]
["30647347","Cc1oc(CCOc2ccc(CC3N=C(O)SC3=O)cn2)nc1Cc1ccccc1"]
["172545847","CC(C)(C)c1cc(OC2=C=c3c(c4ccccc4n3C3=CC(=[Si-]4(C)c5ccccc5-c5ccccc54)C=C[N-]3)=C=C2)[c-]c(N2CN(c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3ccccc32)c1.[Pt]"]
["168639676","Cc1cc(Oc2cccc(F)c2F)ccc1N1NC/C(=C(/O)c2cc3c(Cc4ccccc4)cccc3[nH]2)C1=N"]
["97385670","O=C1N2CCCC/C=C\\[C@H]2C[C@@]12CN1CCCC/C=C\\CCc3cc(co3)[C@H]2CC1"]
["98557008","COc1ccc(CN2CCCCCC=C[C@@H]3C[C@@]3(C(O)=NS(=O)(=O)C3CC3)N=C(O)[C@@H]3C[C@@H](Oc4cc(OC)nc(-c5ccccc5)n4)CN3C2=O)cc1"]
["158477086","NS(=O)(=O)N1CCN([C@H]2C=CCCCCC2)CC1"]
["99819976","Cc1nc2ccccc2c2c1O[C@]1(CC2)C[C@H]2C(O)=N[C@]3(C(O)=NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C/CCCCC[C@H](N=C(O)N3CCCCC3)C(=O)N2C1"]
["90057411","CNC1CC(C)(C)c2cc(OC)ccc2C1=O"]
["108009714","COc1coc(CN2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cc1=O"]
["177754503","C[C@]12CCC(O)CC1CCC1C2C(O)C[C@]2(C)C(c3ccc(=O)oc3)CC[C@]12O"]
["8432318","CN1CC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1=O"]
["70278291","COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCCC1C3.O=C(O)C(Cl)Cl"]
["31807701","COc1ccc2c(c1)OCCC=CCCCCN(C(C)C)S2(=O)=O"]
["120395569","O=C1CCN(C2/C=C/CCCCC2)c2ccccc21"]
["13197334","O=C(COc1ccccc1)Nc1ccc2c(c1)CN([C@H]1CCCc3ccccc31)C(=O)CO2"]
["175715468","PN1c2cc3c(cc2=BC2=C=CC=CC21)B=C1C=CC=C[C-]1[N+]=3P"]
["172426756","CCCCC1=CC(C2=C3C=CC=CN3CC=C2)(C2=C3C=CC=CN3CC=C2)C(C2=C3C=CC=CN3CC=C2)C=C1"]
["172214691","FC(C1=C=C2c3nccn3C3C=CC=C=C3[C-]2C=C1)c1[c-]c(-n2c3cc4c(cc3c3cccnc32)sc2ccccc24)ccc1.[Pt+2]"]
["171904257","CC(C)c1cccc(C(C)C)c1-c1cnc2n1C1C=CC=C=C1[C-]1C=CC(C(C)(C)C3=C=C4c5ncc(-c6c(C(C)C)cccc6C(C)C)n5C5C=CC=C=C5[C-]4C=C3)=C=C21.[Pt+2]"]
["172128087","CN1C2=C3[B-](=C4C=CC=C[C-]4[N+](C)=C3C=C=C2c2ccccn2)C2=C=CC=CC21.[Ir].[c-]1ccccc1-c1ccccn1"]
["171904494","CC(C)c1ccnc(Oc2[c-]c(OC3=C=C4c5ncc(-c6c(C(C)C)cccc6C(C)C)n5C5C=CC=C=C5[C-]4C=C3)ccc2)c1.[Pt+2]"]
["174294374","CC/C=C1\\C=C(/C)N(P)/C(C)=C(/C=C\\NC)C[B]C2=CN(C)C=CC2N1P"]
["79424961","[CH2-][C]1C=CC=C=C1C.[Na+]"]
["110844761","[O]N1CC=CN2C=CC=C=C21"]
["55106398","CC1CCCC(C)C1C1=C(C2C(C)CCCC2C)N2C(=[N+]3[C-]4C=CC=CC4=CC3C3=C=CC=[C-]C32)[N-]1.[Ir]"]
["161692105","C1=CC(c2ccc3ccccc3n2)=CC1.C1=CC=CC=1[C-]1C=Cc2ccccc2[N-]1.[Fe+2]"]
["63556087","Cc1cc2c(n1C)C1=CC=CN(C)C1C=C2"]
["168646236","C1=Cc2[nH]c(c3nc(c4ccc([nH]4)c4[nH]c(c5ccc([nH]5)c5nc2C=C5)=CC=C4)C=C3)=C1"]
["91647716","FC(F)(F)c1ccc(-c2c3nc(c(-c4ccc(C(F)(F)F)cc4C(F)(F)F)c4ccc([nH]4)c(-c4ccc(C(F)(F)F)cc4C(F)(F)F)c4ccc([nH]4)c(-c4ccc(C(F)(F)F)cc4C(F)(F)F)c4nc2C=C4)C=C3)c(C(F)(F)F)c1"]
["179798565","CC1c2c(ccc3[nH]c4ccccc4c23)C=CC1Br"]
["168281761","Clc1ccccc1Nc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2"]
["83056944","N=C(N)C1C=Cc2nc(=C3C=CC=C(O)C3=O)[nH]c2=C1"]
["99218410","C1=Cc2ncc3[nH]/c(=C4/C=CON4)nc3c2=C1"]
["168479443","Cc1cc([Si](C)(C)C)c(C)cc1-c1c2nc(c(-c3cc(C)c([Si](C)(C)C)cc3C)c3ccc([nH]3)c(-c3cc(C)c([Si](C)(C)C)cc3C)c3nc(c(-c4cc(C)c([Si](C)(C)C)cc4C)c4ccc1[nH]4)C=C3)C=C2"]
["174473594","OC1=CNC(c2ccccc2)=CC=C1"]
["MCULE-8165556760","CCCCCCCCCCn1cc(OCCCCC)c(=O)cc1CSCc1nc2ccccc2[nH]1"]
["152552505","O=C1C(=CNNc2nc3ccccc3[nH]2)C=C(Br)C(O)=C1Br"]
["102918750","CCCCCc1ccc(-c2c3nc(c(-c4ccc(CCCCC)cc4)c4ccc([nH]4)c(N=C(O)c4cccc(C(=O)N=c5cc[nH]cc5)n4)c4ccc([nH]4)c(-c4ccc(CCCCC)cc4)c4nc2C=C4)C=C3)cc1"]
["168315577","CCCCCCC(CCC)Oc1ccc(-c2c3nc(c(-c4ccc(OC(CCC)CCCCCC)cc4)c4ccc([nH]4)c(-c4ccc(OC(CCC)CCCCCC)cc4)c4nc(c(-c5ccc(Oc6c(C[N+](C)(C)C)cc(C[N+](C)(C)C)cc6C[N+](C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1"]
["194093773","CC(O)=NC(=CC[P+](=O)CO)C(=O)[O-].CC(O)=[NH+][C@@H](CC[P+](=O)CO)C(=O)O"]
["19311050","Cc1ncc(CO)c(/C=N/CC/N=C/c2c(CO)c[nH+]c(C)c2O)c1O"]
["172785694","CC(=O)N=C(C)O.CC(=O)O"]
["171433685","CCCC(CN[C@@H](CC)C(=N)O)C(CC)C(=O)O.Cl"]
["153169664","CC(O)=NC[C@H](O)CC[C@@H](N)C(=O)O"]
["158136370","CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H](C)N=C(C)O)C1"]
["103963494","CC(O)=N/C(=C/c1ccccc1)C(=O)OCC(=O)/C(C#N)=C(\\C)N"]
["197597135","CC(O)=NC[C@H](F)C(=O)O"]
["27305424","CC(O)=N[C@@H](CCC(=O)O)C(=O)O.CN(C)CCO"]
["175875792","CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ga+2]"]
["188259122","C=C(/C=C\\C(=C/C)N=C(C)O)C(=O)CN(C)Cc1ccc(Cl)cc1Cl"]
["170690453","CC(=O)[C@H](CC[C-]=O)[NH+]=C(O)CN(C)C.O.[Na+]"]
["99322326","O=P(=O)C1=Cc2cccc3cccc(c23)C1([NH2+]c1ccc([NH2+]C2(P(=O)=O)C(P(=O)=[OH+])=Cc3cccc4cccc2c34)cc1)P(=O)=O"]
["140413866","COCC(O)CCN=C(O)CSc1cccc2cccc(Cl)c12"]
["62550802","O=C1C[C@H]2C[C@@]2(c2cccc3ccccc23)C1"]
["170712618","CC(C)c1cc2ccccc2oc1=O.CNC(C)C.[HH]"]
["111493844","CNC1CCC(O)(c2cccc3ccncc23)CC1"]
["32452208","[O-][n+]1ccccc1-c1cccc2cccc(-c3cccc[n+]3[O-])c12"]
["183037018","[N-]=[N+]=NC1c2cc(C3C=Cc4ccccc43)ccc2Oc2c(N)cccc21"]
["164616890","Oc1ccc2c3c(ccc2c1)OC1Oc2ccc4cc(O)ccc4c2C32c3cccc4cccc(c34)C12"]
["46951442","CCC(C)c1ccc(N(C)C(=N)Nc2ccc3cccc4c3c2C=C4)cc1"]
["185108684","O=C(O)C1(Cl)Cc2cccc3cccc1c23"]
["166330984","CNS(=O)(=O)Cc1ccc(CN=C(O)CSc2cccc3cccc(Cl)c23)cc1"]
["84745345","CCNc1cccc(COc2ccc(Cl)cc2[N+](=O)[O-])n1"]
["180190928","[CH-]=[C-]c1ccc(NC(=O)N2CCN(c3ncnc(Nc4ccc(N5CC[Cl+]CC5)cc4)n3)CC2)cc1"]
["176334912","COc1ccc(CN2CCN(c3ccc(OS(=O)(=O)c4cn(C)c(C)n4)cc3)CC2)cc1OC"]
["144544336","Cn1nccc1NC(=O)N1CCOC(c2ccc(F)cc2Cl)C1"]
["129789835","Cc1cccc2c(CCC(=O)N3CCN(c4ccc(O)cc4)CC3)c[nH]c12"]
["166351461","O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(N2CCCS2(=O)=O)c1"]
["101577072","Cc1ccc(C(=O)N2CC(C(=O)Nc3ccc(F)cc3)C3(CCOCC3)C2)cc1"]
["18424040","Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccc(Nc2ccccc2)cc1"]
["42299801","Cc1ccc(-c2ccnc3nc(Nc4ccc(Cl)cc4)nc(O)c23)cc1"]
["MCULE-7467581586","O=C(CNCc1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1"]
["1192822","CC(C)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C(C)C)c1"]
["31902267","CCCn1cc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)c2ccncc21"]
["152929367","CC(C)[C@H](Oc1ccccc1)C(=O)N1CCN(c2nc[nH]n2)CC1"]
["66218969","C1=CC(=C2C=[N+](CCCCCCCCCCCC[N+]3=CC(=C4C=CC=C4)[N-][N-]3)N=N2)C=C1"]
["81259008","COC(C)(C)c1noc(-c2ncn3c2C(=O)N(C(C)C)C2=CC(=[F+])C=CC23)n1"]
["65204013","CCCCCCCCCC[n+]1cccnc1F.[Br-]"]
["196502588","CCCCCCCCCCCC=C1C=[N+](CCOC(C)(C)C)[N-][N-]1.[W]"]
["34480781","Cc1cccc[n+]1CCCCCCCCCCCC[n+]1ccccc1C.[Br-].[Br-]"]
["54327922","CN(C)S(=O)(=O)c1ccc(CN2C(=O)C(C)(c3ccccc3)N=C2O)o1"]
["171538829","CCCCCCCCCCCC[n+]1ccn(S(=O)(=O)N(C)C)c1-c1ccccn1.[Cl-]"]
["161837878","C1=CC(=C2C=C[N-]N=N2)C=C1.[Fe+2].c1cc[cH-]c1"]
["1039025","CC(C)(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1"]
["60775259","CCCCCCCCCCCCC[n+]1ccccc1CC"]
["43573395","CCCCCCCCCC[n+]1ccc(C)c(C)c1C"]
["97631476","CCCCCCCCCCCCC[n+]1csc(CCOC(=O)c2ccc(C(=O)OCCc3sc[n+](CCCCCCCCCCCCC)c3C)cc2)c1C"]
["173198690","C1=P[P+](p2pc3ccccc3p2)(p2c[pH+]c3ccccc32)c2ccccc21"]
["170417384","O=S(=O)(C1=Cc2ccccc2CC1)N1CCC(N2CC(O)C2)CC1"]
["155418346","Clc1ccc([C@@H]2Cc3nc4cccc5c4c(c32)CC5)cc1"]
["167372889","O=C1OC(c2ccccc2)[C@H]2O[C@@]12c1ccccc1"]
["145703939","[B+]=P(Cp1c2ccccc2c2ccccc21)(C1CCCCC1)C1CCCCC1"]
["91085302","O=CCC1COCC2Oc3ccccc3C=C12"]
["185766111","COC1=Cc2ccccc2C(=O)C1OC"]
["195798598","C1=CC=Cc2ccccc2I=1"]
["100187948","Cc1pc2ccccc2c(C=S)c1C"]
["167338944","[Li+].c1ccc2[p-]cpc2c1"]
["3749419","O=S(=O)(N[C@@H]1C[C@@H]1c1ccccc1)C1=Cc2ccccc2CC1"]
["83928093","Cc1ccc(C(c2ccc(C)cc2)N(C(C)C)p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1"]
["168570251","CCCCCC(=O)[C@@](CCCC)(c1nc2n(c1O)C(=N)N=N2)c1nc(O)c2n1C(=N)N=N2"]
["59611213","Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N(CC(C)(C)C)CC(F)(F)F"]
["99458306","CCCCCC(=Nc1ccc(CC)c(CC)c1)C(CCCC)=Nc1ccc(CC)c(CC)c1.CCCCc1cc2cc(O)c(O)cc2cc1C[Si](CC)(CC)CC.[Ni]"]
["175871767","CCCCCCCCCCCCCCCC(=O)C(O)(CO)C(=N)O"]
["16718440","CCCCCN(C(=O)COc1ccccc1)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC"]
["146708068","CCCC(C)(N)C(=O)N1CCN(c2nc3ccccc3s2)CC1"]
["188937798","CCCCCN1C(=O)O[C@](C)([C@H](O)CC)C1[C@@H](C)N"]
["10764632","CCCCCCC([O-])=NN=C(O)c1c(O)nc2ccccc2c1O"]
["26584650","CCCCCCCCCC(=O)c1ccc(C(=O)O)cc1"]
["44830167","CCCCc1ccc(C(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)cc1"]
["32869976","CCCCCCCCCCCCCCCCCC(=O)c1c(C)c(C)n(CC(=O)O)c1C"]
["163966009","CCCCCC(=O)Oc1cc2c3cc(OC(=O)CCCCC)c(OC(=O)CCCCC)cc3c3cc(OC(=O)CCCCC)c(OC(=O)CCCCC)cc3c2cc1OC(=O)CCCCC"]
["93968930","NS(=O)(=O)CCNCC1(CCO)CC1"]
["160464782","NS(=O)(=O)CC1CCN(C(O)=NCC2(N3CCOCC3)CC2)CC1"]
["100962535","Cc1ccc(S(=O)(=O)NC2(CCCO)CCC=C2C[Si](C)(C)C)cc1"]
["197382233","CC(CC1(CO)CC1)N(C)C(=O)OC(C)(C)C"]
["42807128","C[C@]12CC3CC(NCCCCCCCCO)(C1)C[C@@](C)(C3)C2"]
["113616906","CCCS(=O)(=O)CCNCc1ccnn1C"]
["6289839","NS(=O)(=O)CCN=C(O)[C@H]1CC=CCC1"]
["112661211","CCC1CC1NS(=O)(=O)CCCO"]
["67121523","CC(C)(C)CC(NCCCS(N)(=O)=O)c1ccccc1"]
["59199160","O=C(O)C1(NS(=O)(=O)CCc2ccccn2)CCOC1"]
["68869751","CCCNC1(CCO)CCC(C(C)(C)CC)CC1"]
["174802262","CC(C)(C)OC=O.CC(O)C(O)C1(CCO)CCNCC1"]
["181015595","[N-]=[N+]=NN(C1=NNC(N(Cl)Cl)(N(Cl)Nc2ccnnn2)C(Cl)=C1Cl)c1nnnc(Cl)c1N=c1ccnn[nH]1"]
["183840145","[N-]=[N+]=Nc1nncc(-c2ccnnn2)n1"]
["181501219","CN(C)c1cccc(C[C@@]23CC(N=[N+]=[N-])CC[C@@H]2CCc2cc(O)ccc23)c1"]
["183629085","CC1=C(C)C(C)(C2=C(Cl)c3c(cc(C)c(C)c3Cl)C2N=[N+]=[N-])C(C)=C1C"]
["99358451","FCC(F)(F)ON(c1ccccc1)c1ccnnn1"]
["181437888","[N-]=[N+]=NN1C=C(c2cccc(Cl)c2)C=NC1"]
["182382073","CCN1C(O)=NNC1(CCCN=[N+]=[N-])Cc1ccc(C(C)(C)C)cc1"]
["181258255","[N-]=[N+]=NOc1ccnnn1"]
["172765052","CCCCCCCCCCCCCCCCN=c1ccnn[nH]1"]
["181711534","[N-]=[N+]=NC1=NNOc2ccnnc21"]
["183494899","[N-]=[N+]=Nc1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C(F)F"]
["182859353","[N-]=[N+]=NOc1ccc(Cl)cc1-c1cnn2c1NCCC2"]
["174715754","[B+]=C1C=CC([NH+]2C[N-]C3=C(SC4C#[N+]C=CC([N-]C[C-]=C)=C34)C2=O)=C[CH+]1"]
["120264537","O=C1CNC(c2cccs2)N1CC1(C2CC2)CC1"]
["32706061","C=CCCCN1C(=O)[C@H](OC)[C@@H]1C1CC(=O)C=CN1CC=C"]
["175966300","O=C1C[N-]c2ccccc2N1CC1=C=CC=[N+]=[C-]1.[Re]"]
["174534026","[B+]=C1C=CC(C[C-]=C)=CC1OI"]
["MCULE-4101177912","O=C1CCCN(C(=O)Cn2cc(-c3ccccn3)cn2)C1"]
["65265439","O=c1oc2ccccc2n1C[NH+]1CCc2sccc2[C@H]1c1cccs1"]
["27200510","O=C1CN=CCC1Cc1nc2c(Cl)c(Cl)ccc2s1"]
["99714182","[B+]=C1[N-]N=C(SCC(=O)OC)N1c1ccc(C2CC2)c2ccccc12"]
["175526377","CC.[B+]=C1C=CC([C@H](C)N2CCC(C[C-]=C)(CC=C)OC2=O)C=C1"]
["74912975","COCOc1cc(-c2ccc(/C=C3\\SC(=S)N(C4C5CC6CC(C5)CC4C6)C3=O)o2)cc(OC)c1OCOC"]
["98254761","C=CC1COCC2Nc3c[nH]c(O)c3C(c3ccccc3OC)N(C(C)=O)C12"]
["179961062","C=IC1=C=C(C[O-])CC[C-]1CN[C@H]([NH3+])CC[I+]C(C)(C)C"]
["95656247","CCCNC(c1cc(C)nnc1C)C1CCCCCC1"]
["52602278","CC(C)(C#N)CCCNC(CO)Cc1ccccc1"]
["153958021","C=C1CC[C@H](O)C(=C)CC[C@@H]2[C@@H]1C[C@@]2(C)CC[C@@H](O)C(C)(C)O"]
["136536789","CC(N=C(O)NC1CC(=O)N(C(C)(C)C)C1)C(C)(C)C"]
["94978580","CCNC(CC1CCSCC1)C(C)(C)C"]
["49411410","CC(C)(C)NCC(O)C1CCc2ccccc2N1"]
["167197869","C=C1CCN2C[C@H](OC(C)(C)C)[C@@H](OC(C)(C)C)[C@@H]2C12CC2"]
["195936489","CC(OC1=C=C2OC([OH2+])c3c(oc4c3[CH-][CH-]C(OS(C)(C)C[I+]C(C)(C)C)=C4)C2CC1)SC(C)(C)C"]
["178797473","C=ICCCOCC(CNCC[I+]C)N([O-])[O-]"]
["184684327","CCC(C)(CC(C)C)N1CCCC1=O"]
["120392598","CCNC(CCC(C)(C)C)CC1CCC(F)(F)C1"]
["180438496","OC(CC1=CC(c2cnc[nH]2)=CCN1)N1C2NC(c3cncc(C(F)(F)I)c3)C=CC2N2C[C@@H](O)[C@@H]21"]
["30100562","CN(CC(F)(F)F)C(=O)CN=c1ccnc(-c2cnc3[nH]cncc2-3)[nH]1"]
["195092484","CCCCCCCC(O)CC(O)CCc1ccc(O)c(OC(CC(Cc2ccc[nH]2)C2=CCNC(N)=C2)C(O)CO)c1"]
["181680561","[N-]=[N+]=N[C@@]1(Cc2cnc[nH]2)CCCCC1C(F)(F)F"]
["175010603","CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(C)cc3-n3ccc(C)n3)C(F)(F)F)nc(=N)[nH]2)cc1"]
["179051988","Cc1nc2cnc(N=c3ccnc(N4CC5CC(O)C[C@H]5C4)[nH]3)cc2n1C(C)C"]
["62113255","O=C([O-])[C@@H](Cc1cnc[nH]1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O"]
["32889020","CC(C)CC(=O)N(C(=O)CC(C)C)c1cc(-c2c(-c3ccc(F)cc3)nn3c2CCOC3C)ccn1"]
["58463693","CN(C)Cc1ccc(C2(O)CCC(N3CC[C@@H](CC(=O)CN=C(O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1"]
["191290730","COCCN1CCN(C(=O)C2CCC(c3ccc4nc(C)[nH]c(=N[C@H](C)c5cc(C)cc(N)c5)c4c3)CC2)CC1"]
["96293832","CCN1c2ccc(C(F)(F)F)cc2NCC2COCC21"]
["170856947","CC(O)c1cnc(N2CCN(c3ccc(F)c(S(=O)O)c3)CC2C(C)C)nc1C(F)(F)F"]
["177890669","C=C(SN)SC(=N)SNSc1nnc(SN)s1"]
["83570683","OC(CSC1N=C(O)CCN1)=Nc1nnc(SCc2ccccc2)s1"]
["91851283","CSc1nnc(SCC(C)CNC(C)(C)C)s1"]
["1482194","C=CCSc1nnc(N=C(O)CN2C(=O)C(CC)(CC)N=C2O)s1"]
["170784594","CNNC(=N)SSCc1n[nH]c(=N)s1"]
["106797681","Cc1nnc(S[C@@H](C)C(O)=NCC(F)(F)F)s1"]
["55012942","OC(=Nc1nnc(SCc2cccc3ccccc23)s1)c1ccsc1"]
["60422089","CCSc1nnc(N=C(O)c2oc3ccccc3c2N)s1"]
["21181044","CCCSc1nnc(N=C([O-])CSc2nnc(C)n2N)s1"]
["50331234","CCCCCC(C)(C)CSSc1nnc(SSCC(C)(C)CCCCC)s1"]
["54010565","CC(C)(C)CC(O)=Nc1nnc(SCC(=O)O)s1"]
["12159045","CC(C)=CC(O)=Nc1nnc(SCC(=O)N=c2cc(C)o[nH]2)s1"]
["168573238","CCC(C)(C)N(C)Cc1ccc(C[N+](C)(C)C=C2C=C[C+](CC(C)(C)C)C=C2)cc1"]
["103415064","COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CCCN(C)CC1"]
["32727689","CCOC[C@H](C)N(Cc1ccccc1)[C@H](C)c1ccccc1"]
["177592982","CN(C)Cc1ccc(S(N)(=O)=NC(=O)O)cc1"]
["165688791","CCOCc1ccc(N=c2nc(C(C)(C)C)[nH]s2)cc1"]
["180337212","CCC(C)(Cc1ccc([N+](=O)[O-])cc1)C1(C)c2ccccc2C=CC1O"]
["124711273","CN(CC(O)=Nc1ccc(Cl)c(Cl)c1)Cc1ccc(CO)cc1"]
["20022380","COc1ccc(CC[NH+]=C(O)CN(C)Cc2ccc(Cl)cc2)cc1OC"]
["148014406","CC(C)c1ccc(CN(C)CCOCCN)cc1.Cl"]
["92477867","CN(C(=O)COc1ccccc1[N+](=O)[O-])C(C)(C)CO"]
["126989001","CCN(CC)C(=O)c1ccc(CN=C(O)CN(C)Cc2ccc(C)o2)cc1"]
["141192069","Cc1nc([N+](=O)[O-])cn1CC(O)=NCc1ccc(CN(C)C)cc1"]
["187203577","CC(C)C[O+]=S(CC(C)[C+]([O-])[O-])(=[O+]CC(C)C)[P-]1(S)=CC=CC=1.[H+]"]
["103721475","CC(C)CN(Cc1ccccc1)S(=O)(=O)CCN"]
["172423151","CC(C)CC[n+]1ccccc1.O=S(=O)([O-])CF"]
["79191411","CC(C)CS(=O)(=O)NOBONS(=O)(=O)CC(C)C"]
["114604473","COCCN(CC(C)C)C(C)c1c(O)cccc1O"]
["104359511","Cc1nc([C@@H](C)NCc2ccco2)cs1"]
["108215683","CC(C)CN(C)S(=O)(=O)N[C@H](C)c1ccc(F)c(F)c1"]
["144353721","CC(C)CS(=O)(=O)CC(O)=NCC(O)C(C)C"]
["12612659","CC(C)C[C@@H](C)CC([O-])=NS(=O)(=O)c1ccc(Cl)cc1"]
["121394709","CCc1ccc(CNC(C)c2ccc(C)c([N+](=O)[O-])c2)o1"]
["146804519","CCC(C)c1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1"]
["87625381","CCC(C)c1ccc(C2(C)CCC(=O)O2)cc1"]
["184389734","C=[N+](CCN(C)C([NH-])CC1C[I+]1)C(N)CCl"]
["112940848","CC(C)N(C)CCCN=C(O)[C@H](C)N"]
["93775332","C=C(C)CCN(C)C1CNC1"]
["88562945","COc1c(C)cc(C(N)CC2CCCCC2)cc1C"]
["85539114","CC(C1CC1)N(C)CCCS"]
["193353669","CI.CN(C)C(=O)[C@@H](N)CC1CC1"]
["57575616","CN(C)CC(O)CNCCN(C)C1CC1"]
["93500947","CC(C)CCN(C(=O)C(C)C(C)N)C1CCCC1"]
["163318870","C[C@](O)(CO)[C@H](N)C1CCC1"]
["113639086","C=C(CN(CCC(C)C)C1CC1)[B-](F)(F)F"]
["67922547","CCC1CCCC(CN)(N(C)CCCOC)CC1"]
["93429111","CN(c1c(Cl)cnn(CC2CC2)c1=O)C(CN)C1CC1"]
["47699175","[NH-]c1ccccc1C(=[OH+])c1ccc#[n+]c1"]
["MCULE-3087501889","O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1"]
["65042723","OC(=NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1Br"]
["172668558","O=C(c1ccccc1)c1ccccc1Cc1cc(Cc2ccccc2C(=O)c2ccccc2)cc(Cc2ccccc2C(=O)c2ccccc2)c1"]
["199277244","C=C(N)c1cccc(CN)c1C(C)C"]
["MCULE-7979804497","O=C(c1ccccc1-c1c(F)cccc1F)N1CCC(N2CCCC2)CC1"]
["114297134","CNCCc1ccccc1C(=O)N1CCCC(C)(O)CC1"]
["MCULE-8464666377","N=C(O)c1ccccc1-c1ccc(CN=C(O)C2CCS(=O)(=O)CC2)cc1"]
["80454038","CC(=O)c1cccc(I)c1Br"]
["78395661","CC/C(=C(\\O)c1ccccc1)c1ccccc1CC"]
["173099471","C=C(C(O)=NS(N)(=O)=O)c1ccccc1CO/N=C(\\C)I"]
["64647256","CCC(C)N=C(O)c1ccccc1N=C(O)C=Cc1ccc(OC)c(OC)c1OC"]
["190519176","C#CC#CC1(C(C)=C=C=C=C=C)O[C@@H]([O-])C(C)(C)C(C#C)C1(C#CC)OC.[OH-].[Rb+]"]
["14170518","C#C[C@@H](COC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)/C(C)=C/CC"]
["32035901","CC(=O)CC1=C[C@H](O)C23C[C@H]2C(C)(C)O[C@]3(O)C1=O"]
["171559926","COC(=O)[C@]1(O)O[C@@H](C(O)[C@H](O)CO)[C@@](N=C(C)O)(C(C)=O)[C@](OC)(C(C)=O)C1(C(C)=O)C(C)=O"]
["108419226","C=C[C@@]1(C)CC(=O)[C@@H]2[C@H](O1)[C@H](OC(C)=O)[C@H](O)[C@H]1C(C)(C)CC[C@H](OC(C)=O)[C@@]21C"]
["96679850","C=C1CC[C@@H]2CO[C@@H](CC(=O)OC)[C@H]1C2(C)C"]
["193598540","CO[C@]1(COP(=O)(O)O)O[C@@H](C)C(C)(C)[C@@H]1C"]
["33349106","C=C(C)C[C@@H](O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1CO[Si](C)(C)C(C)(C)C"]
["45168579","C=C=C=C=C=C=C(OC(=O)C1CO1)c1ccc(C(=O)Oc2ccc(OC(=C=C=C=C)OC(=O)C3CO3)c(C#N)c2C#N)cc1"]
["47118178","C#C[C@@H]1[C@@H](C(=O)OC2CC(=C)C(CC=C)=C2C)C1(C)C"]
["101101426","COCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C#CC4(O)CCCCC4)=CC[C@@H]32)C1"]
["33409886","C#CC#C[C@@H](O)[C@H](OCOC)[C@H]1COC(C)(C)O1"]
["16419103","CC1=NN[C@@H](CSSC[C@H]2N=NC(C)=C2C(O)=NN)[C@@H]1C(O)=NN"]
["165269416","CC(C(O)=NN)c1nnc(=N)[nH]c1O"]
["85660609","CCN(Cc1ccc(C(O)=NN)cn1)C1CCNCC1"]
["113895091","CC1(C)CC1C(O)=NCCCc1ccc(S(N)(=O)=O)cc1"]
["83618059","Cc1cc(C)c(N=C(O)COC(=O)CC2NN=C(O)C3CCCCC23)c(Cl)c1"]
["80474212","Cc1ccc(Cl)cc1N=C(O)CSC1=NNC2C(=O)N(c3ccc(F)cc3)C=CN12"]
["177392436","CCC/C=C/c1cc(C(O)=NN)ccn1"]
["116284906","Cc1cc[nH]c1/C(=N\\N)C1CC2(CC(NC(=O)O)C2)C1"]
["22102182","CCC[C@@H](N=C(O)CC[C@@H]1N=NC(=S)N=C1O)c1ccccc1"]
["46906562","Cc1c[nH]c(=NN)c(C)n1"]
["108226921","CC[C@@H](C)S(=O)(=O)N=C(O)c1cnn(C)c1C"]
["MCULE-5935072645","Cc1nn(C)cc1C(O)=Nc1ncccc1-c1c(C)nn(C)c1C"]
["183833395","[N-]=[N+]=NNn1cc(OCF)[nH]n(OCF)[nH]1"]
["181110049","CS(=O)(=O)c1ccc(NCC#Cc2cc3c(N=[N+]=[N-])cccc3n2CC(F)(F)F)cc1"]
["183793088","CC(C)NCC(N=[N+]=[N-])c1ccc(N)c(F)c1F"]
["182806819","[N-]=[N+]=NNCc1cc(OC(F)(F)F)ccc1O"]
["182739444","[N-]=[N+]=NNCCCCn1cnc(CC(N)C(=O)O)c1"]
["183798869","[N-]=[N+]=NC(=O)ONCc1ccc(Cl)cc1Cl"]
["181711446","COc1cccc(OC)c1C1CCC(C(O)=NN=[N+]=[N-])NC1c1ccc(Cl)c(OCCCN(C)C)c1"]
["181542013","CCOC(=O)C(=O)n1ccc(N=[N+]=[N-])n1"]
["7427580","NN=C(O)Cn1cc(Br)c(C(F)(F)F)n1"]
["182701138","CCNc1cc[nH]c1N=[N+]=[N-]"]
["183482185","CC1Cc2c(ccc(O)c2C=O)C(N=[N+]=[N-])N1CC(C)(C)F"]
["86095728","[N-]=[N+]=Nc1ncns1"]
["174192221","[B][C@@H]1O[C@@]2(/C=C/P(=O)(O)O[B][C@@H]3O[C@@]4(/C=C/P(=O)(O)O)COC3C4OI)CCOC1C2OI"]
["81646043","[B]C1OC2(COC)CCOC1C2OP(C)(C)=O"]
["83156997","CC=C(C)C(=O)OC1CC(O)C2(C)C3C(OCC13C)C(OC(=O)C(C)CC)C1(C)C3=CC(=O)C(c4ccoc4)C3(C)C(OC(C)=O)CC12"]
["56169104","C=CC(=O)OC1(C2CCCCC2)C2CCCCC1OCC2"]
["74510186","CC[C@]12COC(C1OP(O)(=S)OC)[C@H](n1cc(C)c(O)nc1=O)O2"]
["13425689","CCOC(=O)COc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1OCC"]
["188642762","CC1=C[C@@]2(C=C(C(=O)O)[C@@]34CCCC(C)(C)[C@@H]3CC2OC4)OC1=O"]
["75572965","O=C1OC2(CCC3(CC2)OC(=O)C(/C=C2/SC4(N=C2O)C2CC5CC(C2)CC4C5)=C(O)O3)OC(O)=C1/C=C1/SC2(N=C1O)C1CC3CC(C1)CC2C3"]
["25468326","CCOC(=O)C1[CH]C2CC1C1OC(C)(C)OC21"]
["53376815","C=C1N=C(O)C(C)=CN1[C@@H]1O[C@@]2(COC)COC1[C@H]2OP(C)(=O)O"]
["97410134","Cc1cn([C@H]2O[C@]3(CO)CO[C@H]2[C@@H]3OP(=O)(O)O)c(=O)nc1O"]
["106907302","C=C1C(=O)OC2(CCCC2)[C@H]1C(=O)O"]
["44248535","C1=C(CN2[CH-]NCCC2)[CH-]SC=1CN1[CH-]NCCC1.CCC1=C=C(CC)S[CH-]1.[Pt+4]"]
["56166968","CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)N3CCCCC3CC)c2=O)cc1"]
["157402749","CCCN1CCC[C@@H]1C(=O)N1CCN[C@@H](C)C1"]
["85708981","CCN1CCCNc2c(F)cccc21"]
["88045208","CN(C)Cc1ccc(N2CCC3(CCNC3)C2)cc1"]
["186551911","C=C(C)[C@@H]1CN(C(=O)C(C)(C)N)CCN1"]
["MCULE-9709064188","CCn1cc(OCC(=O)N(C)CC2CCCO2)c(=O)cc1CN1CCN(CCO)CC1"]
["146789132","CCC(C)(C)C1CCCN1CC(C)(C)N"]
["186393762","CCc1cnc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)s1"]
["173242638","CC.CCc1nccn1CC1CCCN(C)C1"]
["58253919","CCC(=C(c1ccc(OCC(CN2CCCCC2)OC(C)=O)cc1)c1ccc(OC(=O)C2CC2)cc1)c1ccc2c(c1)OCO2"]
["156695946","CCc1cc(N2CCC[C@H](N=c3[nH]c(C(F)(F)F)cs3)C2)ncn1"]
["96812715","CC(C)Cc1ccc(CC(C)C)c(CC(C)c2c(CC(C)C)ccc(CC(C)C)c2CC(C)C)c1CC(C)C"]
["62947626","CCC(O)C(C)Cc1cccc(C)c1"]
["15902968","CC(C)S(=O)(=O)NC[C@H](O)Cc1ccccc1"]
["7762100","CC(C)Cc1c(C(=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]"]
["93748649","CC(C)Cc1ccc(COS(=O)(=O)C(F)(F)F)cc1"]
["29011444","CC(C)Cc1c(C=Cc2cc(C(C)(C)C)ncn2)c(=N)[nH]c2ccccc12"]
["94567058","Cc1ccc2oc(C(Cc3ccccc3C)NN)cc2c1"]
["163314381","CC(=O)[C@H](C)Cc1cc[n+]([O-])cc1"]
["70651618","CC(Cc1ccccc1)C(O)C#C[Si](C)(C)C"]
["MCULE-1150286159","CCOc1cccc(C(C)n2ncc(CC(C)C)c2O)c1"]
["106632590","CC(C)Cc1ccc(CN2CCC[C@@H](NS(=O)(=O)c3cccnc3)C2)cc1"]
["97826050","[13CH3][13CH](Cc1ccccc1)c1ccccc1"]
["2448433","C1=Cc2cc([C@@H]3NCCc4nc[nH]c43)ccc2[NH2+]1"]
["69404042","COC(=O)C(C)N=C(O)N1CCc2nc[nH]c2C1c1cc(OC)ccc1OC"]
["114175832","CC(C)c1nc(-c2ccc(F)cc2Br)nc2c1CCNC2"]
["MCULE-9576750893","CCCCC(N=C(O)c1ccccc1Cl)C(=O)N1CCc2nc[nH]c2C1C(C)C"]
["108527123","COc1cc2c(cc1O)[C@H](c1ccc(O)c(C)c1)NCC2"]
["104025259","CCCOc1ccc([C@H]2NCCc3cc(O)c(O)cc32)cc1"]
["151673463","Cc1nc(CC(C)C)cc(C(=O)N2CCc3nc[nH]c3[C@@H]2C(=O)O)n1"]
["MCULE-4248630650","COc1ccc(Nc2cc(N3CCc4nc[nH]c4C3C(C)C)nc(Cc3ccccc3)n2)cc1OC"]
["MCULE-1263964556","O=C1CC(C(=O)N2CCc3nc[nH]c3C2c2ccc(F)c(Cl)c2)CN1c1cccc(OCc2ccccc2)c1"]
["MCULE-4604453245","CC(C)c1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCc3nc[nH]c3C2C(C)C)n1"]
["197118738","COc1ccc(C2CN(Cc3ccc(OCCO)cc3)Cc3nc[nH]c32)cc1"]
["MCULE-4035270454","COc1cccc(C2c3[nH]cnc3CCN2C(=O)C2CC(=O)N(C(C)C3CC4CCC3C4)C2)c1OC"]
["54188162","O=CC=CC(C(=O)O)=C(OC(=O)C(=O)C(C=CC(=O)C(F)(F)F)C(=O)O)C(=O)O"]
["103137303","O=C(COC(=O)[C@@H]1CCCN1/C=C\\C(=O)C(F)(F)F)Nc1ccc(Br)cc1"]
["91091069","COC(=O)C(O)=CC(=O)C(F)(F)F"]
["198807930","CS(C)(=O)=NC/C=C/C(=O)O.O=C(O)C(F)(F)F"]
["109754312","CNS(=O)(=O)c1cc(/C=C/C(O)=N[C@H](c2ccccc2)C(F)(F)F)ccc1OC"]
["88916160","CCOC(=O)C(=NCC(=O)OC)C(F)(F)F"]
["152884190","O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(O)=Nc1ccccc1C(F)(F)F)c1ccccc1Cl"]
["162554745","CC(=CC(=O)C(F)(F)F)NC(C)(C)C"]
["MCULE-1835860081","COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)cc1C(C)C"]
["174985711","O=C(O)C(=O)CC(=O)C(F)(F)F.[Hf]"]
["83228825","O=C(O)[C@@H](Cc1ccc(O)cc1)N=C(O)C(F)(F)F"]
["173462032","O=C(O)COC(=O)C(=O)C(CC(=O)O)C(=O)O"]
["170831250","Oc1c(Cc2cc#co2)nc2cnccn12"]
["113245841","CCc1cc2c(NC(CCO)C(C)(C)C)nc(Cl)nc2s1"]
["86736936","CN(Cc1ccc(Cl)cc1)C(=O)c1cnccc1Cl"]
["197075128","Cn1[nH]c(=NC(=O)C2(C(O)=Nc3ccc(-c4cnc5cnccn45)c(F)c3)CC2)cc1C(F)(F)F"]
["106964091","C[C@H](O)c1nc2ccncc2s1"]
["125146988","O=c1n(CN2CCN(Cc3cccc4ccccc34)CC2)nc2cnccn12"]
["172339416","C1=CC=c2c(cn3ccncc4cccc2c4-3)C=C1"]
["198744959","C=C1Oc2ccccc2-c2cc3sc(O)nc3cc21"]
["175260225","N=C(O)c1cnc(N)c2nccn12"]
["91285812","Nc1ncc(Br)nc1Cc1ccc(O)cc1"]
["104243091","Oc1ccc(Cl)cc1CN1CCC[C@@H](c2noc(-c3cnccn3)n2)C1"]
["50874178","Nc1cc(O)nc(Cc2cccnc2)n1"]
["179483585","[B+]=C1C=CC2=C(C1)C(=O)C1(CC=C3C=N[N-]C=C3CC1)C2"]
["173051648","CC1(C)CC=CC2=C(C1)NCCCC2(C)C"]
["150789943","Cn1nccc1C(=O)N1CC[C@]2(CCn3ccnc32)C1"]
["154166160","COC1=CC[C@@]2(C1=O)[C@@H](Cl)C[C@@]13NCC[C@]12CC(=O)C(OC)=C3OC"]
["198567739","[B+]=C1C=CC2=C(C1)[C-]1C(=COCC13CCC3)N2"]
["160201054","O=C(O)C1=CC2=C3C=CN=C3C(=O)CC2=N1"]
["187113656","[B+]=C1C=CC2=C(C1)C(NCCCCC)=C(N)C(=CCC)[N-]2"]
["55011635","CC1=CCC2(CCC(C)CC2)C1=O"]
["26941654","O=C1C=CC(OC23CC4CC(CC(C4)C2)C3)=N1"]
["178759956","[B+]=C1C=CC(C)=[N+](CCCCCC(=O)[O-])CC1"]
["99715461","[B+]=C1C=CC(OCC(=O)[O-])=C(c2nc(Cc3ccc(OC)c(OC)c3)no2)C1"]
["67237889","[B+]=C1C=NC=N[N-]1"]
["173230297","C1=CCC=C2CC3=C(C=C[CH-]C3)C[C+]2C=1"]
["96582880","CC1=C2C=Cc3cccc4c3[C+]2C(=CC1)C4"]
["182879988","[N-]=[N+]=NS(=O)(=O)C1=CC=COC=C1"]
["195405598","C1=CCC(c2c3c(c(C4=CCC=CC4)c4c2CCCC4)CCCC3)CC=1"]
["150150481","COC1=CC(C(C)(C)C)=CCC=C=C1"]
["195361743","C1=CCC=C2C=CCCC=12"]
["184463072","CN1CCC(OC(C2=CCC=C=C2)C2C=C=CCC=C2)CC1"]
["195616445","C1=CCC(C2=CCC=C2)CC=1"]
["79742088","[C+]1=C(C=C2C=C[CH-]C2)CC=C1.[Hf]"]
["183148271","CCC=CC=CC1=CCC=CC1"]
["184432881","CCC1=CCC(OC2CC=C=CC2)[C-]=C1.[U]"]
["173013877","C1=CCC2=C(C=1)CC(C1C=CC3=C(CC3)C1)=CC2"]
["188079427","BC1=CCC=C(C(=O)P=O)C=C1"]
["52435976","O=C(O)CCOC1=CCC(=O)C=C1"]
["17914369","CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC[C@H](O)S1"]
["186923070","CC(=O)N1CC(COCC2CC2)C2(CCN(Cc3ccccc3C)CC2)C1.O=C(O)C(F)(F)F"]
["61042952","CCC(=O)c1cc(Cl)ccc1C1=C(C)C(C)=CC1"]
["175549602","CNC1=CCC(C=CC(=O)O)(NC)C=C1"]
["76084958","CC(=O)C1=C(C=O)CCC=C1"]
["92908127","CCC1(Nc2cccc(F)c2C(=O)O)CCC1"]
["185046969","COC(=O)C1=CCCN(CCOc2ccc(C)cc2)C1"]
["185672780","CC(C)C1(c2ccccc2)C=CC(O)=CC1"]
["174158331","COC1=CCC=C(N2CCN(C(C)=O)CC2)C=C1"]
["162133058","CC(=O)C1=CC(C(C)=O)(S(=O)(=O)Cl)C(S)C=C1"]
["33847805","FC(F)(F)c1nc2c(nc1C(F)(F)F)C1=Nc3nc(c4nc(C(F)(F)F)c(C(F)(F)F)[n-]c3-4)N=C3N=C([N-]C4=NC(=NC2=N1)c1nc(C(F)(F)F)c(C(F)(F)F)nc14)c1nc(C(F)(F)F)c(C(F)(F)F)nc13.[Co+2]"]
["158379698","COC(=O)Cc1ccc(F)c(C(F)(F)F)n1"]
["174730343","CC(OC=O)c1nc(C(F)(F)F)c(C(F)(F)F)nc1N"]
["MCULE-2727081749","COc1c(C)cc(Cn2nc(C(F)(F)F)c(C)c2N)cc1C"]
["83179180","N=c1[nH]c(OCC(F)(F)F)nc(C(F)(F)F)c1N"]
["112360093","N=c1nc(C(F)(F)F)c2ccccc2[nH]1"]
["166742504","CCOC(=O)Cc1c(OC(F)(F)F)cc(O)nc1C(F)(F)F"]
["89364292","O=C1CCc2nc(O)nc(C(F)(F)F)c21"]
["MCULE-6608447806","CCOP(=O)(OCC)c1c(C(F)(F)F)nn(Cc2cc(C)c(OC)c(C)c2)c1Cl"]
["145248556","COc1ccc(CC#N)c(C(F)(F)F)n1"]
["156083447","COc1cc(C2(c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)CC2)ccc1C"]
["166731290","COC(=O)Cc1cc(CN)c(OC(F)(F)F)c(C(F)(F)F)n1"]
["56494683","C=C[si]1o[si-](C=C)o[si-](C=C)o[si-](C=C)[o+][si](C=C)[o+][si](C=C)[o+]1"]
["172628726","C=C[si-]1o[si]([O+]=[Si-][O+]=[Si-])[o+]1"]
["62799373","CO[Si]1=[O+][Si-](C)C[Si-](C)[O+]=[Si](OC)O1"]
["51195692","C=C[si]1o[si-](C=C)o[si-](C=C)o[si-](C=C)o[si-](C=C)o[si-](C=C)[o+][si](C=C)[o+][si](C=C)[o+][si](C=C)[o+][si](C=C)[o+]1"]
["55756879","C=CC[si]1o[si-](CC=C)o[si-](CC=C)o[si-](CC=C)[o+][si](CC=C)[o+][si](CC=C)[o+]1"]
["69522756","C1[si-]2o[si-]3o[si]4o[si]5o[si-](o[si]([o+]2)O[si]([o+]5)[o+][si-]1[o+]4)o3"]
["99794915","C=C[si]1o[si-](C)o[si-](C)o[si-](C)[o+][si](C)[o+][si](C)[o+]1"]
["168441324","C=C[Si](C)(C)O[Si]1O[si]2o[si](O[Si](C)(C)C=C)[o+][si]3o[si-](O[Si](C)(C)C=C)o[si-](o[si-]([o+]2)[o+]3)O1"]
["50031304","C=C[Si]1N[Si](=C[CH2+])N[Si-](C=C)N1"]
["161797002","C=C[Si]1(CCl)O[Si-]=[O+][Si](CCl)[O+]=[Si-]O1"]
["56280319","C=C[Si]1O[Si](C)(C)O[Si](C)(C)O[Si-]=[O+]1"]
["178322991","CC.[Am].[C-]#C/C=C/OCC1[O+]=CCC1[N-][O-]"]
["171810143","CNON(C)C1C=CC(C)=CC1"]
["97232226","C=C[Si](C)(C)OCC#CC1CCCCC1"]
["151534262","O=COC[C@H]1[C@H]2C[C@H]3[C@H]1[C@H]3[C@H]2OC=O"]
["174388217","CCOC1CC(C=O)C=CC1(C)C"]
["79959968","CCCO[SiH](OCCC)C(CC)OCC1CO1"]
["33284531","C/C=C/OCC1CCCCC1=O"]
["167227103","[C-]#CCCO[Si](C)(C)[O+]=C=C1C=CC(C)=CC1.[Cr]"]
["174804087","CC1=C(COC=O)C(C)CO1"]
["199683889","COc1ncc(N2CC(CN=[N+]=[N-])CC2=O)cn1"]
["7234870","C=CCCO[C@H](C)C(O)=N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1"]
["80496345","CC1=C(C#N)C(=O)N(CC2CCCO2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1"]
["194525916","ClC1[N-]C(Cl)NC(ON=C2CCCCC2)(OC2=[NH+]CCCCC2)N1"]
["171652669","CCOC(=O)CON=C1CCCCC1"]
["99257150","O=C1C(=C2Nc3ccccc3S(=O)(=O)N2)C(=O)N(N=C2CCCCCC2)c2ccccc21"]
["58955584","ClCON=C1CCCCC1"]
["75917410","CN(C)CCCON=C1CCCCCCCCCCC1.O=C(O)C=CC(=O)O"]
["158656687","Cn1cc(S(=O)(=O)N=C(O)[C@@H]2CCCC2(C)C)c(C(F)(F)F)n1"]
["157527144","CCc1nc2n(n1)C[C@@H](N=C(O)[C@H]1CC(F)(F)CN1)CC2"]
["152226947","CCOc1ccc(N(CC(O)=NN=C2CCCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1"]
["101260058","CCC(CNS(=O)(=O)c1ccc(C)cc1)ON=C1CCCCC1"]
["120219971","OC(=Nc1nccc(Cl)n1)C1CCCCCN1"]
["195565171","CCC1CC(C)=C(N=c2nc(-c3ccc(Cl)cc3)[nH]c3c2CCCC3)C=C1C"]
["81219008","C=CCO/N=C1/CCCCCCCCCCC(=O)OCCC1"]
["194459806","C1CCC2C(C1)CC1C3CCCCC3[N-]C21.C1CCC2C(C1)CC1[N-]C3CCCCC3C12"]
["160755054","Cc1cc(C)cc(-c2nnc(SC3CC4CCCCC4N=C3O)o2)c1"]
["180365642","CC1(O)CCC1C1CC2CCCCC21"]
["157782458","O[C@@H]1CCCC[C@@H]1[C@H]1CCCOC1"]
["196006430","C1CCC2CC(C1)CC1=C3C(CCC1)C1C3CCC21"]
["173511815","CC1C2CCCCC2CN1N"]
["98566266","CC1CCCCC1C1CCCN(S(=O)(=O)c2ccccc2Cl)C1"]
["172003820","O=C(Nc1ccc(NS(=O)(=O)C2CCC3C(CC4CCCCC43)C2)cc1)C12CC3CC(CC(C3)C1)C2"]
["186752362","O=C1CC2CCCCC2C(I)c2ccccc21"]
["78150510","CCC1CCC2CCCCC2C1C1CCCCC1"]
["165784262","O=C(O)[C@H]1CCC[C@H]2CCCC[C@H]21"]
["171754386","C1CCC(C2CCC(N(C3CCC(C4CC5CCCCC5C5CCCCC45)CC3)C3CCCC4C3CC3C5CCCCC5CC(C5CC6CCCCC6C5)C34)CC2)CC1"]
["175627634","Nc1nc(-c2c[pH]c3ncc(F)cc23)c(F)cc1F"]
["113426351","Cc1cnn(-c2cc(F)cc(CCN)c2)c1"]
["MCULE-2872553447","Cc1ncnc(C)c1C(O)=NCc1cncc(-c2cncc(F)c2)c1"]
["MCULE-7577860656","CCc1nn2c(Cl)cc(CC(=O)OC)nc2c1-c1cc(F)ccc1F"]
["67473060","Cc1nc2cc(F)c(N)cc2o1"]
["75261503","COC(=O)N(OC(=O)C(F)(F)F)c1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2cc(C)ccc2F)c1"]
["114967920","CCNCc1cc(F)cnc1NCC(C(C)C)C(C)C"]
["85226662","CCCC(C)CC(NC(C)C)c1ccc(F)cn1"]
["87878830","Cc1ccc(-n2nnc(-c3ccc(F)c(F)c3)c2N)cc1"]
["100355146","Cc1noc(-c2c(N)ncnc2N[C@@H](C)c2nc3cccc(F)c3c(=O)n2-c2ccccc2)n1"]
["169851722","Cc1ncc(C(C)CCC(C)c2cncc(F)c2)cn1"]
["93223036","CC(C)CC(C)Nc1ncc(F)cc1F"]
["199382602","ClB1C(c2ccc(Br)cc2)=C2CCC[C@]23B(Cl)[C@@]1(c1ccc(Br)cc1)C1=C(CCC1)C(c1ccc(Br)cc1)=C3c1ccc(Br)cc1"]
["MCULE-8802059347","O=C1C(NCCC2=CCCCC2)=C(c2ccc(Br)cc2)C(=O)N1CCN1CCOCC1"]
["144693119","Clc1ccn2nc(-c3ccc(Br)cc3)nc2c1"]
["MCULE-8397060005","CCN(CC)CCN1C(=O)C(Nc2cc(Cl)c(Cl)cc2Cl)=C(c2ccc(Br)cc2)C1=O"]
["29889383","O=C1c2cc(F)c(F)cc2CN1CC1(c2ccc(Br)cc2)N=C(O)N=C1O"]
["134354153","Cc1cc(C)n(C(C)C(O)=NC2(c3ccc(Br)cc3)CCC2)n1"]
["MCULE-1533745445","CCN(CC)c1ccc(NC2=C(c3ccc(Br)cc3)C(=O)N(CCOC(C)C)C2=O)c(C)c1"]
["151984743","O=C1C[C@](c2ccc(Br)cc2)(c2ccsc2)N=C(O)[C@@H]1Oc1ccccc1Cl"]
["MCULE-4378847922","CCCCCCCCN1C(=O)C(Nc2ccc(Br)cc2)=C(c2ccc(N=C(C)O)cc2)C1=O"]
["120918095","CNCC1(c2nc(-c3ccc(Br)cc3)cs2)CCC1"]
["160690659","CC(C)c1n[nH]c(CNC2(c3ccc(Br)cc3)CCOCC2)n1"]
["MCULE-1708577819","Cc1ccc(NC2=C(c3ccc(Br)cc3)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)cc1C"]
["181214639","[NH2+]=c1ccc([O+]=CC=O)c[n-]1"]
["174648997","Nc1cc(C=O)ccc1SS"]
["66058300","O=CN(SC(Cl)(Cl)Cl)c1ccccc1.[F-]"]
["43817973","O=Cc1ccc(CBr)nc1"]
["33614832","O=Cc1cc(-c2ccc(-c3ccccc3)s2)c(C=O)cc1-c1ccc(-c2ccccc2)s1"]
["174630207","O=C[NH+]1C=c2ccccc2=C1"]
["175820630","CC.O.O=Cc1ccccc1"]
["91303237","O=CC=C1CC2C=CC1C2"]
["75591362","C=CC=[O+]S([O])([O-])[14c]1ccc(C)cc1"]
["182860642","C#CCOc1ccc2nc(C=O)ncc2c1"]
["32758460","O=C(/C=C/C(O)c1ccccc1)c1ccccc1"]
["144685226","O=CC1=Cc2c(C(F)(F)F)cccc2S1(=O)=O"]
["161220014","IN1CCN2C(=CN3N=CSN32)C1"]
["148796169","CN(C)/C=C1/CN(I)CCC1=O"]
["53768658","C1=NN2CCN=C2S1"]
["33839351","C[C@@H](c1ccccn1)N1CCc2ccccc2C1"]
["18145946","Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[NH2+][C@@H]1CCN2CCCC[C@H]12"]
["54336756","CC1=CN(C)CN1C.[OH-]"]
["136005286","COc1cccc2c1CCN(C(=O)Cc1csc(-n3c(C)ccc3C)n1)C2"]
["195449940","FC(F)(F)c1cccc(N2CCN(I)CC2)n1"]
["161219977","C1=NN2C=C3CNCCN3N2N1"]
["158086545","Clc1nc(CN2CCCCN2)cs1"]
["199008579","O=S1(=O)CCN2C=C(I)C=CC2=N1"]
["106192838","CC[C@]1(C(=O)O)CCN(Cc2csc(C)n2)C1"]
["180576811","N=CC(=CN)NC1=NC(Br)=CN2N=IN=C12"]
["169144840","Nn1c(S)nnc(Cc2cc(O)ccc2Br)c1=O"]
["152047870","O=C1N=C(O)/C(=C\\Nc2ccc(Br)cc2Cl)C(=O)N1c1ccc(Br)cc1"]
["173707144","N=CC(=CN)c1c(F)cncc1/C=C/Nc1ccc(N2CC(F)(F)C2)cc1"]
["163613854","N=C/C=C1\\NC=C(c2cnc3ccc(Br)cn23)CN1"]
["96230662","OC(=Nc1ccc(Br)cn1)Nc1ccc(O)cc1"]
["114466886","Cc1cc(NC(=O)CC(N)C(C)C)cc(C)c1Br"]
["174059355","N=C/C(=C(/Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1)N1CCN=C(O)C1"]
["21793536","Nc1nonc1N/N=C/c1cc(Br)cc(Br)c1[O-]"]
["74294519","Cc1cc(-n2cccc2)ccc1-n1ccc(=O)c(/C(=C/C=N)Nc2ccccc2)n1"]
["85037437","Cn1ncc(CNC(=N)O)c1N"]
["195411461","C/C(Br)=C\\Cn1c(-c2ccnc(N3CC(C)NC(/C(C=N)=C/N)C3C)n2)cnc1C=N"]
["97366538","CC(C)[C@@H](C(=O)O)C1=CN[C@@](CCCCN)(C2=CN[C@](C3=CN[C@@](CCC(=O)O)(C4=CNC(CN)C4=O)C3=O)(C(C)C)C2=O)C1=O"]
["76360644","CCC([S+]=C1C=CN=C2C1C(=O)N(C)C(=O)N2C)C(=O)O"]
["34071609","CCCCCCCCC(CCCCCCCCC(=O)O)C(C)C"]
["144051608","CCC(CC#N)N=C(O)CCC(=O)N=c1ccc2c([nH]1)n(CC)c(=O)n2CC"]
["85850788","CNC(=O)c1ccc(=NCCCCCCC(=O)O)[nH]n1"]
["67127321","CSCCC(N)C(O)=NC(CCCCN)C(O)=NC(CO)C(O)=NC(CCC(=O)O)C(=O)O"]
["90117710","CC(C)Oc1ccc(N)cc1CCC(=O)O"]
["59576716","CC(O)C(N=C(O)C(CS)N=C(O)C(N)CCCCN)C(O)=NC(CCC(=O)O)C(=O)O"]
["67505191","CCOC(=O)[C@@H](CN(CC)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C(C)C.NCCCC[C@H](N)C(=O)O"]
["53454733","CC(C)C(CCN)CCC(=O)N(C)C(C)C(=O)O"]
["51141416","CC(=O)OC(C(C)CCC12OC(CO)C(O)(C(=O)O)C(C(=O)O)(O1)C(O)C2O)C(C)Cc1ccccc1"]
["52162510","CSCCC(N=C(O)C(N)CCCCN)C(O)=NC(CCSC)C(O)=NC(CCC(=O)O)C(=O)O"]
["178619085","CC1(I)[C-]2[I]C34[C-]2C3C2C3[I]C(C31)C24"]
["120426803","CC1(C)CC(Nc2ccc(I)cc2Br)CCO1"]
["180021343","C[C-]1C2=IC2C2C3C1C23C"]
["157222853","CN[C@@H]1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1(C)C"]
["74808297","CC1(C)COP([S])OC1N(SCl)C(C)(C)C"]
["174292993","CC1C2C(CN1I)C2(C)C"]
["161825692","C=CC1N=NC2C1C2(C)C"]
["179060497","CC12[C-]3[C-](I)[C@@](C)(I)[C@H]4C5[I+]I4C1C5C32"]
["178988325","C=I1=C(C)C(C)(I)[NH+](O)C1(C)C"]
["66176171","CC1(C)[C@@H]2N=NC3(CC3)[C@@H]21"]
["87004970","CNC1C2C3CCC(C3)C2C1(C)C"]
["198369092","CNC1C(C)(C)C(OI)C1(C)C"]
["180387939","CC(c1cco[nH+]1)C(C)(C)c1cc[nH+]o1"]
["42789246","CC(NCC(O)=NC(C)(C)C)c1ccc(Cl)cc1Cl"]
["80316163","CC(C#N)NS(=O)(=O)c1cccc2nonc12"]
["88624632","CC(NOC(C)(C)C)c1ccc(F)cn1"]
["107784476","CCC[C@H](C)CNCCc1ccc(C)cc1"]
["7729074","CC(C)c1nnc(CSc2nnc(C(C)(C)C)n2-c2ccccc2)o1"]
["170816234","COC(=O)CC(B1OC(C)(C)C(C)(C)O1)c1cc(Cl)ccc1C(F)(F)F"]
["169950219","CC1C=C(CC(C)(C)C(C)(C)C)C1[P+](C)(C)C"]
["118231135","Cc1ccc(CN=C(O)NCC(C)(C)CC(C)O)s1"]
["111393531","CNC(CCC(C)(C)OC)c1c(F)ccc(C)c1F"]
["88226965","CC(C)(C)ONCc1ccoc1"]
["101806286","CC(C)(C)CCNCc1ncco1"]
["174144668","[B]=C1C(C)=C(C)C(C)=C([B+]c2c(F)c(I)c(P)c(F)c2I)[C-]1P"]
["MCULE-9008262530","COc1nccc(-n2nc(C(C)C)c(I)c2C(F)(F)F)c1F"]
["174560709","[B+]=C1C(P)=C(C)C(P)=C(I)[C-]1F"]
["197464112","Cc1c(S)c(C)c(C[B-](F)(F)F)c(C)c1I.[K+]"]
["MCULE-6492568542","Cc1nccc(-n2nc(Cl)c(I)c2C(F)(F)F)c1F"]
["15658284","COCCN1C(C)=CC(=C2C(O)=NC(=S)N=C2O)C=C1C(F)(F)F"]
["185669764","CC(C)(C)c1cccc(I)c1N=C[O-]"]
["149050452","COC(=O)C(OC(C)(C)C)c1c(C)c([N+](=O)[O-])c(N)c(I)c1F"]
["MCULE-5916929899","CN(C)Cc1nn(-c2ccc(F)cc2)c(C(F)(F)F)c1I"]
["MCULE-8038187213","COc1ccc(-c2cc(I)c(C#N)s2)cc1F"]
["MCULE-2198411314","CC(C)(C)OC(O)=N[C@@H](C(O)=Nc1ccc(F)c(I)c1F)C(C)(C)C"]
["158027622","Fc1c(I)cc(C(F)(F)F)cc1I"]
["179411815","C[CH-]C1(C=C=ICB2OCCO2)COB(CC2COB(C)OC2)OC1"]
["145318967","CC1(C)CC(CN2CCn3nc(CNc4ncccn4)cc3C2)CCO1"]
["151520670","Cc1nccc(C[C@@H]2COCCN(Cc3cnn(C)c3)C2)n1"]
["51467616","CCCC1CCOCOC1"]
["136045142","COc1cc(Br)c(NCC2=CCCOC2)cc1OC"]
["90562794","C=C1CCC2(CC1(C)CCC=O)OCCO2"]
["125647314","CC#CCCCC(O)=Nc1ncc2c(n1)CCC1(C2)OCCO1"]
["74513966","CCC1(C(=O)/C=C(/C)O)COc2cc(O)c(O)cc2C1CC(C)=O"]
["99628222","CCC/C=C1\\OCC(CO)(CO)O1"]
["26799603","CCCCCCCC1COB(CI)OC1"]
["178879682","C/C=C1/CCOB(O)/C1=C/CNC"]
["43413648","CCCCCC1COB(C2CCC(C(=O)OC3CCC(CCC)CC3)CC2)OC1"]
["163632113","CSOOc1nnc(S(=O)(=O)CCCCS(=O)(=O)ON)s1"]
["197431212","CS(=O)(=O)CCCCN1CCC1CN"]
["126647453","Cc1cccc(S(=O)(=O)CCCSc2nnc(-c3ccoc3C)n2N)c1"]
["97078314","CCOC(=O)c1c(N)sc(OCCc2scnc2C)c1C"]
["111887577","CCS(=O)(=O)c1c(NC2CC2C)sc(C(=O)C(C)C)c1N"]
["108732702","CCNS(=O)(=O)[C@H]1CCN(Cc2sc(N(C)C)nc2C)C1"]
["104996798","CCOC(=O)[C@H]1CCCN(c2ncnc(Nc3nc(C)c(C)s3)c2N)C1"]
["20928655","CCOc1nnc(CN2CCN(CCOC)CC2)s1"]
["19395815","Cc1cccc(OCC([O-])=Nc2nnc(S(C)(=O)=O)s2)c1"]
["59849792","CCN(C)C(=O)N(C)c1nnc(OC(C)n2ccnc2)s1"]
["120434199","Cc1ccc(S(=O)(=O)CCOC(C)CN)cc1"]
["20177706","CCOc1nnc(CN(C)CC(C)C)s1"]
["193359539","C=N.CCN=C(S)N1CN(C(S)=NC)CN(C(S)=NCN=C(C)S)C1.CN=C(S)CC(=S)N1CN(C)CN(C(S)=NCOCN=C(S)N2CN(C(=O)S)CN(C(S)=NC)C2)C1"]
["116634989","CCN=C(NCCCN(CC)S(C)(=O)=O)N1CCS(=O)(=O)C(C)(C)C1"]
["173322616","C/C=C\\C(=C/C(=C/OCC)CCC(=N)NN(CCCC)/C(C=O)=C(/C)NC)CN1CCN(C=O)CC1"]
["164408647","CCOC(=O)COC1CN(C(=O)COC(C)=O)CCC(=O)N(C)c2ccccc21"]
["MCULE-7976784266","CN=C(S)N1CCC(C(O)=Nc2sc(C)cc2C(=O)OC)CC1"]
["34275063","COC(=O)[C@@H]1[C@@H]2N(C)[C@H]3C(=N\\N=C(S)SC)/C(=N/N=C(S)SC)C32C[C@H]1c1ccc(C)cc1"]
["116386536","CCN=C(O)C(C)(C)CNC(=NC)N1CC(C)(C)C1(C)C"]
["116634346","CCN=C(NCCCS(C)(=O)=O)N1CCS(=O)(=O)C(C)(C)C1.I"]
["162698088","CCN=C(S)N1CC(C)C(C)C1C"]
["194285868","CCC1CN(C(=O)OC)C1.CCC1CN(C(C)=O)C1"]
["117920158","CCN=C(NCC(c1ccc(C)o1)N1CCCC1)N1CCN(C(=O)c2ccco2)CC1.I"]
["156920841","CCN=C(O)CN=C(O)N[C@H]1CCC(C)(C)C[C@H]1C"]
["200182262","CC1=[N+](C(=O)c2cc3c(cc2-c2cc(C(=O)N(c4ccc(O)cc4)c4cc(C#N)n(C)c4C)c(C)n2C)CCN(C(=O)C(=N)c2ccccc2N)C3)Cc2ccccc2C1"]
["MCULE-3113354040","CON(C)C(=O)c1cccc(-c2ccc3c(c2)CCN(C(=O)C2CCC(C)CC2)C3)c1"]
["46067545","CC(C)C(CN=C(O)c1ccccc1-c1ccccc1C#N)N1CCOCC1"]
["145749428","Cc1ccc(N(C(=O)c2cc(-c3cc(F)ccc3C(=O)N3Cc4ccccc4C[C@H]3C)n3c2CNCC3)c2ccc(O)cc2)cc1F.Cl"]
["140226549","O=C(CCc1ccc(O)cc1)N1CC=C(c2ccccc2F)CC1"]
["180332731","O=C(NC1CCN(CCCCC2(C(O)NCF)C3=C(CCC=C3)c3ccccc32)CC1)c1ccnc2c1=CCCC=2"]
["MCULE-1635388640","COc1ccc(F)c(-c2ccc3c(c2)CCN(C(=O)CCc2ccccc2)C3)c1"]
["MCULE-6216752579","Cc1c(CN2CCC(CN=C(O)c3ccccc3C#N)C2)cnn1C"]
["141262294","CSc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1"]
["176330936","COCCN(C)C(=O)/C(=C\\N(C=O)CC(=O)N1CCC(N2CCc3ccccc3N=C2O)CC1)c1cccc(Cl)c1OC"]
["117263150","CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccccc1N"]
["101633700","Cc1c(O)ncnc1CC(=O)N1CCc2ccccc2C1"]
["176215821","[B+]=C1C=C(N=C2N=c3ccc(N([O-])[O-])cc3=NC2=NC2=CC(=[B+])CC=[C+]2)CC[CH-]1"]
["195081569","CC1=CC(=NNc2ccc(N([O-])[O-])cc2N(O)O)CC(C)(C)C=C1"]
["126351076","Cc1cc(C)n(CC(O)=NC2(C#N)CCc3ccccc3C2)n1"]
["195429686","CON([O-])c1cccc(C2NC(O)=NC(C)=C2C(O)=NC2=CCC3(C)NN=CC3=C2)c1"]
["90391218","CC(C(O)=[NH+]c1ccc2c(c1)=NC(=O)N=2)N1CCc2ccccc2C1"]
["135267773","COc1ccc2c(c1)CN(CC(O)=NCC(=O)OC(C)(C)C)CC2"]
["69508825","CC(C(O)=Nc1ccc2c(c1)=NC(=O)N=2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1"]
["165372722","CCOc1ccc(N(CC(O)=NC(C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1"]
["80066656","CC(C)(C)C1CCc2sc(C(=O)NCC(O)=Nc3ccc4c(c3)=NC(=O)N=4)cc2C1"]
["137302105","COc1ccc2c(c1)CN(CC(O)=NCc1ccc(N(C)C)cc1)CC2"]
["74126742","N#CCOCC(F)(F)C1=c2cc(N([O])[O-])ccc2=[O+][C@@H](C(=N)O)C1"]
["76702186","NNC(=C1N=c2ccc(N([O-])O)cc2=NC1=O)C(O)c1ccc(Cl)c(Cl)c1"]
["171063943","C1=CC(=Ic2ccc(-c3c4ccccc4cc4ccccc34)s2)[S+]=C1c1c2ccccc2cc2ccccc12.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["MCULE-3211894611","O=[N+]([O-])c1ccccc1Oc1ccsc1C(O)=Nc1c(F)cc(-c2cncc3ccccc23)cc1F"]
["102974366","Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)P(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F"]
["94221587","CCOC(=O)CC(O)c1cncc2ccccc12"]
["52606475","Cc1nnc(N/N=C\\c2c3ccccc3cc3ccccc23)nc1O"]
["171524578","C=C(C)C(=O)OCC(O)COc1c2ccccc2cc2ccc(F)cc12"]
["174553450","C=C[C@@]1(N(C)c2c3ccccc3cc3ccccc23)C=CC=CC1"]
["100967820","COc1ccc2ccccc2c1-c1c2c(cc3ccccc13)CCOC2=O"]
["68513224","Oc1ccc(-c2cc3ccccc3c(-c3c(CBr)c(-c4ccc(O)cc4)cc4ccccc34)c2CBr)cc1"]
["97078860","CCOC(=O)C(C(=O)OCC)C(CC(C)=O)c1c2ccccc2cc2ccccc12"]
["154092915","Oc1ccccc1[C@H]1C[C@@H](c2c3ccccc3cc3ccccc23)N=N1"]
["MCULE-7844639692","Cc1ccc(-c2cncc3ccccc23)cc1N=C(O)Cc1ccc(F)c(F)c1"]
["173888593","[B+]C1([B+])Cc2c(c(-c3c[nH]nc3C(F)(F)F)[n-]c3c(F)[cH-][c-]4[n-][nH][cH-][c-]4c2-3)C([B+])([B+])C1([B+])[B+]"]
["MCULE-6808176329","Nc1c2c(nc3c(-c4ccc(F)cc4F)c(C(F)(F)F)nn13)CCOC2"]
["179848690","COCC(=O)N=C(SC)C(=NC1=CCC(C2=C(C)COC(C(F)(F)F)=N2)C=C1)c1cc(OC)c2c(c1F)CCCO2"]
["190104593","NCCC(OC=O)C(=O)N1CCN(C(=O)c2ccc(N=c3[nH]ccn4c(-c5c[nH]nc5C(F)(F)F)cnc34)cc2Cl)CC1"]
["164661789","C=C1CCCC(C)C12CC(O)(c1c(F)c(Cl)c(F)c3c[nH]nc13)C2"]
["MCULE-5305325366","COCC1CCN(C(=O)c2cccc(F)c2-c2ccccc2OC(F)(F)F)CC1"]
["MCULE-6454979237","Cc1cnc(N=C(O)c2cnc(C(F)(F)F)nc2C)c(-c2c[nH]nc2C)c1"]
["MCULE-6007190009","Cc1n[nH]cc1-c1cc(C(F)(F)F)cnc1N=C(O)c1c(F)cc(F)cc1F"]
["100375632","[2H]c1c(C)c([2H])c2c(c1[2H])c(=O)c([2H])c(SC([2H])([2H])c1cccc(F)c1F)n2CC(=O)N(C([2H])([2H])c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1([2H])C([2H])([2H])C([2H])([2H])N(CCOC([2H])([2H])[2H])C([2H])([2H])C1([2H])[2H]"]
["MCULE-5277634041","O=Cc1cc(F)cc(-c2c[nH]nc2C(F)(F)F)c1O"]
["119290952","NC1c2c[nH]nc2CC12CC2"]
["51458384","O=C(c1c[nH]nc1C(F)(F)F)N1CCCN1C(O)=Nc1cccc2ccccc12"]
["179164223","Nc1ccc2nc(=INC3=Nc4nc(N)cn4CC3)[n-]n2c1"]
["144695081","CC(C)N1CCCCC1Cc1nc2ccc(N)cn2n1"]
["49001266","Cn1cc(-c2nccc(Nc3ccc(N)cc3)n2)cn1"]
["107887059","Cn1ccnc1CNC[C@H]1CCCn2cc(C(C)(C)C)nc21"]
["94181111","Cc1ccc2nc(C3(c4ccc(N)cc4)CC3)[nH]c2n1"]
["159165407","Nc1ccc(N2CC[C@H]3C[C@H]32)nc1"]
["198817037","Nc1cccc(-c2cn3c(n2)N(Cc2ccc4c(c2)C(=O)N(C2CCC(O)=NC2=O)C4=O)CCC3)c1"]
["104642006","C[C@@H]1Cc2ccccc2N1Cc1cn2cc(N)ccc2n1"]
["MCULE-6506484146","Cc1cc2cc(C(=O)N3CCCC4(C3)CN(C(=O)c3cnn(C)c3)CCO4)ccc2o1"]
["159627644","Cl.Nc1cn2ccc(Br)cc2n1"]
["86384867","CN1CCC(Oc2nc(N)cn3ccnc23)CC1"]
["62196335","CN(C)c1ccc2nc(C3CCCC3)c(N)n2c1"]
["191721235","[2H]C([2H])([2H])C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(N=c2[nH]c(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ncc2C(=N)O)C([2H])([2H])C1([2H])O.[2H]c1nc(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[nH]c(=NC2([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(O)C2([2H])[2H])c1C(=N)O.[2H]c1nc(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[nH]c(=NC2C([2H])C([2H])C(C([2H])([2H])[2H])C(O)C2[2H])c1C(=N)O"]
["156666246","CC(C)[C@@H](C(O)=N[C@@H]1CCc2ncnn2C1)N1CCCS1(=O)=O"]
["78897730","O=C([C@@H](N=c1[nH]c(Nc2cnn(CCO)c2)ncc1Cl)c1ccccc1)N1CCCCC1"]
["MCULE-6556524555","Cc1[nH]c2cc(C(=O)N3CCOCC(N=C(O)C4(C(F)(F)F)CC4)C3)ccc2c1C"]
["60965272","CC(C)C(CN)C(O)=Nc1cnn(CC(=N)O)c1"]
["164434550","C[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1NCC(C)(O)Cc1n[nH]cc1-c1c(C(=N)O)cnn2ccnc12"]
["32264435","N=C(O)c1cccc2nc(C3CC4(CCN3)CC4)[nH]c12"]
["MCULE-7923667789","Cc1ccccc1C(O)=Nc1ncc(-c2ccccc2C(=N)O)nc1N1CCCC1"]
["31661701","CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(C3=C4C(=O)c5c(N=C(O)NN6CCOCC6)cccc5C4N=N3)s2)C1"]
["30998983","N=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1N=c1[nH]c(Nc2cnn(CCO)c2)ncc1Cl"]
["27995776","CN=C(O)c1ccccc1N=c1[nH]c(Nc2ccc(N3CCC(c4cccc(C(=O)C=C(C)C)c4)CC3)cc2OC)ncc1Cl"]
["99888274","C[C@@H]1CN(c2ncc(C#N)cn2)C[C@H]1Nc1c(C(=N)O)cnn2cc(-c3cnn(C)c3)cc12"]
["192741312","CN1CCN2CCN(CC2=O)Cc2cccc(n2)C1.CN1CCN2[CH-]C(=O)N(CC2)Cc2cccc(n2)C1.[BH3-][N+]12CCN(CCN(C)Cc3cccc([nH+]3)C1)CC2"]
["28487931","CN1CCC(c2ccc3sccc3c2)c2ccc(-c3cncnc3)cc2C1"]
["MCULE-5361581118","CCCc1nc(N2CCN(c3cccc(C)c3C)CC2)cc(N2CCCC(CO)C2)n1"]
["154885464","CN1CCN(CC2CCN(c3nccc4ccccc34)CC2)CC1=O"]
["146203934","Cc1c(C(=O)N2CCC(OCCCN)CC2)nnn1-c1cccc2ncccc12.Cl.Cl"]
["112384772","O=c1cccc2[nH]nc(CC3CCNCC3)n12"]
["13234411","Cc1cccc(N2CCN(C(=O)C3CCN(c4nc5cccnc5n(C)c4=O)CC3)CC2)c1C"]
["92483588","CN1CCN(C)C(C(NN)c2ccccc2C2CCC2)C1"]
["68972770","CC(C(=O)N1CCSc2ncccc21)c1cccs1"]
["138049927","CCC(C)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)on1"]
["176930265","CN(Cc1cccc2ccccc12)Cc1nnc2n1CCN(C)C2=O"]
["22814687","CCc1cccc(N=C(O)CN2C(=O)CC(c3ccc(F)cc3)=Nc3ccccc32)c1"]
["194416911","CC1C=C2c3ccc4c5ccc6c7ccc8c9c%10c%11c%12c%13c%14c(c3c4c%13c5c6c%12c97)C2(C)C2=C(C3C(=C21)C(C)CC8C%103C)[C@]%14%11C.CO[Si](CCCC12C3=C4C5=C1[C@]1(C)c6c7c8c(ccc9c%10ccc%11c%12ccc%13c%14c(c1c1c6c(c89)c%10c%11c1c%14%12)C2(C)C%13CC3C)C(=CC4C)C57C)(OC)OC"]
["25542170","CO[Si](CCCN=C(O)c1ccc2c(c1)C(=O)N(C1CC(C)(C)NC(C)(C)C1)C2=O)(OC)OC"]
["75083068","CCN1c2cc3[o+]c4cc(N(C)c5ccc(OC)cc5)ccc4c(-c4ccc(C)cc4C)c3cc2C(C)CC1(C)C"]
["82232217","COC(=O)CCCC1(c2cccs2)C2=C3C4=C=CC5c6ccc7c8ccc9c%10c%11c%12c%13c%14c%15c(c6c7c(c%12%15)c%108)C5C4C=%14C3C13C(=C2)C1C=C=C9C%11C1C=%133"]
["186086055","CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(OC(=N)O)c4ccc5nc6c(c(CC)c5c4)Cn4c-6cc5c(c4=O)COC(=O)C5(O)CC)CC3)CC2)cc1"]
["65134506","CC(CCC/C=C/CCCNC(=N)N)CC(C)C1OC(=O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)C(C)C(O)/C=C\\C1C)CC(O)C2O"]
["192880676","C=C[C@@H]1C[C@]1(N=C(O)[C@@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C[C@@H]1N)C(O)=NS(=O)(=O)c1cccc(OCc2ccccc2)c1.C=C[C@@H]1C[C@]1(N=C(O)[C@@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C[C@@H]1N=C(O)OC(C)(C)C)C(O)=NS(=O)(=O)c1cccc(OCc2ccccc2)c1"]
["154286378","CCN1c2ccc(/C=N\\c3ccc(OC)nc3)cc2[C@H](C)CC1(C)C"]
["153910932","COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1"]
["193811684","CCOC(=O)CC1C=C2c3ccc4c5ccc6c7ccc8c9c%10c%11c%12c%13c%14c(c3c4c%13c5c6c%12c97)C2(CC(=O)OCC)C2=C1C1C(=C2[C@@]%14%11CC(=O)OCC)C%10(CC(=O)OCC)C8CC1CC(=O)OCC.c1cc2c3ccc4c5ccc6c7ccc8c9ccc%10c1c1c2c2c3c4c3c5c6c4c7c8c5c9c%10c1c1c2c3c4c51"]
["199517995","COc1nc(-c2cccc(-c3cccc(N=C(O)C4CN(C)C(=O)N(C)C4=O)c3Cl)c2Cl)cnc1CN1CC2(CCC(O)=N2)C1"]
["172182207","CCCCCCC1N(c2ccccc2)C(CC(CC)CCCC)C23C4=c5ccc6c7ccc8c9ccc%10c%11ccc%12c%13c(c%14c%15c2c5c6c2c7c8c5c9c%10c(c%13%11)c%14c5c%152)C13C=%12C=C4"]
["CNP0533167.1","CCCCC1=[O+]C(CCC2=CC(=[O+]C[C@H](O)c3cc([C@H](C)[C@H](CCCO)[NH2+]C[C@H](C)O)c[n-]3)C(=O)C=C2)=CC1CO"]
["62047843","CCCCOc1ccc(C2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1OCC"]
["80657492","CCCCC1=[NH+]C=C(CN2CCN(C(C)C)C(CCO)C2)[NH2+]1"]
["MCULE-5462646706","CCCCOCCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN1CCC(O)CC1"]
["179166889","OCCCC(CCCc1nccs1)N1CC(N=C(O)CN=C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]
["76753494","CCCOc1ccc(C(O)CN2CCOCC2)cc1C1=NC(=O)C2C(=N1)C(CCC)=NN2C"]
["MCULE-8806810115","CCCSc1nnc(C2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1"]
["77443976","CCCCN1C(=O)N=C(O)C(N(CCC(C)C)C(=O)c2cc(Cl)ccc2OC)C1N"]
["51289216","CCCC1=C([C@H](O)CC/C(=C/c2cc(I)c(O)c(OC)c2)c2ccccc2)[C@H](CO)[C@@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)C(=O)[C@@H]2C1"]
["MCULE-2783868266","CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)C2c2cccc(OCCC)c2)cc1"]
["33016971","CC[C@H](C)CCCCCCC1=C[C@H](C)OC1=O"]
["99389052","CC(C)CCCCCOC(=O)CCC1=C/C(=c2\\cccc3c2=NNN3)C(=O)C=C1"]
["198478118","C=C/C=C\\C=C\\C=C\\C(=C(/C=C/NC(=C/C(=C)C(C)(C)C)/C(=C/NC(=C(C)C)C(=C\\CC(C)(C)C)/C(C=C)=C/C=C)B(c1ccc(C(C)(C)CCCC)cc1)c1cc2cc3c(cc2s1)C(C)CCC3C)C(C)(C)C)C(C)C"]
["173509929","CCCCCCC(C)(C)c1ccc([C@H]2CC(=N)C3C[C@@H]2C3(C)C)c(O)c1"]
["98138609","C=CC=C1C=C=C2CCC(CC(O)OCCC(C)(C)C)CC(C)C2=C(CO)C=C1CC(=C)C"]
["173159056","C=C/C(=C\\C=C/C)C(=C)N(C)CC[N+](CC)(CC)CC(C)COC(C)(C)c1cccc(C(C)(C)C)c1"]
["79871763","C=CCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCCC)cc1O.CCCOc1cc(O)c(C(C)(C)CC)cc1C=CC(=O)c1ccc(NC)cc1"]
["174173407","C=C/C(N=C(O)N1CCN(c2nsnc2OCc2cc[nH]c(=N)n2)CC1)=C(/F)C/C(Cl)=C\\CC(F)(F)F"]
["56944973","CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CN=C(O)Nc1ccc(CCCNC[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(O)c3nc(O)ccc23)cc1"]
["171498212","C=C(/C=C(\\C=C(\\C)C(C)CC)C(=O)CC)/C(C=N)=C\\CCCC.C=C(CCC)Nc1ccc(P)cc1C.CC"]
["170285403","C=CC(=O)N1CCN(C(=NC)c2cc(Cl)c(-c3ccccc3F)nc2N(C=O)c2c(N=C(O)OC(C)(C)C)cccc2C(C)C)C(C)C1"]
["170732972","C[C@@H]1Cc2c([nH]c3c(F)cccc23)C(c2cc(F)c(NC3CN(CCCF)C3)cc2OC(F)F)N1CC(F)(F)CO"]
["191554676","CCCCCCCCOc1cc(O)c(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1CCCCCC.CCCCCCc1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)c(O)cc1O"]
["174341878","C=C(Oc1cc(C)c(C(C(/C=C/C(C)(C)C)=C(C)/C=C(\\C)Oc2ccc(C(C)(C)C)c3ccccc23)C(C)C)cc1C(C)(C)C)c1ccccc1/C(=C\\C)C(C)(C)C"]
["191674549","[2H]C([2H])C12CC3CC4(CCc5ccc(nc5)-c5ccc(cc5)CCC56CC7CC(C5)(CC(CC([2H])([2H])c5ccc(-c8ccc(C)cn8)c8oc9nc(C)ccc9c58)(C7)C6)CC([2H])([2H])c5ccc(cc5)-c5ccc(cn5)CC([2H])([2H])C(C3)(C4)C1)C2"]
["187032091","CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)[c-]ccc12.[Ir]"]
["MCULE-7389001657","Cc1ccc(-c2cnc(N3CCOCC3)nc2)c(N=C(O)c2cn(CCF)c3c(F)c(N4CCN(C)CC4)c(F)cc3c2=O)c1"]
["189881458","Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc4ccccc4c3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)C.[Ir]"]
["172077269","CCc1ccnc(-c2[c-]ccc3c2oc2nc(C4CCCCC4)ccc23)c1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]"]
["191043007","Cc1ccc(-c2noc(CCC(=O)n3nc(O)c4c3CCCC4)n2)nc1"]
["109698291","Cc1ccc(-c2nnc(CN3CCC[C@H](C(O)=Nc4ccc(Br)cn4)C3)o2)cc1"]
["169244987","C1=CCC=CC(c2ccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cn3)cc2)=C1"]
["199854510","[2H]C([2H])(c1csc2nc(-c3cccc4c3oc3nc(C)ccc34)ccc12)C(C)(C)C"]
["30955537","C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(-c4ccnc(O)c4)nc3)nc2n1"]
["162026648","CSc1cnc(-c2ccc3nc(OCCC4(c5cnno5)CCNCC4C(C)C)sc3n2)cn1"]
["MCULE-6496936367","CC(C)(C)OC(=O)N1CCCC(C(O)=Nc2ncc(-c3ccc(C(=O)N4CCCC4)cc3)nc2N2CCCC2)C1"]
["78606633","[CH]1N=CNN1N1SNSNS/N=C2/C=CC=C2S1"]
["102934244","N1=C(c2nsn[s+]2)SNS1"]
["81753962","CC(NCc1csnn1)C1NNNN1"]
["161838468","C1=CC2=NN=PC2=C1"]
["108424296","CON1SNSNSN=C2C=CC=C2S1"]
["75918994","F[C]1C=CC=C(F)C1=C1CC1c1cccnc1Cl"]
["158112221","C[C@H]1CCN[C@@H](c2cn(C)cn2)S1"]
["45324375","Cc1ncn(C2=CC=C/C(=C(/N)N=O)N2)c1C"]
["97047947","N=c1[nH]c(=N)n2cnc([C@H]3NC[C@H](N)[C@H]3N)c2[nH]1"]
["171462872","C1=COC2=CNSC2=C1"]
["156843116","Cc1ncc[nH]c1=N[C@@H](C)C[C@H](C)Br"]
["175483772","CN1CCN(c2nc(C3NNC4=CN=CCN43)cs2)CC1.Cl.Cl"]
["180607920","C1=C(c2ccccc2)CCc2oc3cc4oc5c(c4cc3c21)CC1C(=C5)Oc2cc3oc4ccc(-c5ccccc5)cc4c3cc21"]
["196862242","[C-]#[N+]C1=CC(c2ccc(N3c4ccc(-c5ccccc5)cc4C(C)(C)c4cc(-c5ccccc5)ccc43)cc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1"]
["75857431","FC(F)(F)c1cnc2c(c1)oc1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc12"]
["28989016","CC1(C)c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)ccc2-c2ccc3oc4ccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)cc4c3c21"]
["MCULE-1139999448","CN(C(=O)c1cc(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc2o1)c1ccccc1"]
["MCULE-2229739120","Cc1cc(C)nc(NC(=O)c2cc(=O)c3cc(-c4ccc(C(C)C)cc4)ccc3o2)c1"]
["177074675","CC1(C)c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2cc(-c3ccccc3)c3oc4ccc(-c5ccccc5)cc4c3c21"]
["168963249","C1=CC(c2ccccc2)=C(Nc2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)ccn3)c2)CC1"]
["197768708","C[C@@H]1COCCN1c1cc(Oc2ccc(-c3ccccc3)cc2)c(C=N)c(N=c2cc[nH][nH]2)n1"]
["8048964","Cc1onc(-c2ccccc2)c1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1"]
["178925532","N#Cc1ccccc1-c1ccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1"]
["195432577","C1=c2c(n(-c3ccccc3)c3ccccc23)=CCC1c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1"]
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["91497631","CC(O)CC=CC=C[Si](C)(C)C"]
["82475697","NC1CCC(C(O)CO)OC1"]
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["200326863","C1CC(C2CO2)CCC1C1CCC(C2CO2)CC1"]
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["189896382","C[C-]1C[N-]C1.[Re].[Re]"]
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["26012019","C1CC(C2CO2)CCC1C1CO1"]
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["75415627","ClC1=[C+]NC[N-]1"]
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["170555384","CCCC(Br)CCC(N)C1CCN(O)C(C2CCC(O)NC2O)C1O"]
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["48613462","CC1CN(S(=O)(=O)N2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)CC(C)O1"]
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["112140039","COCC(O)CCNC1CCN(C(C)=O)CC1"]
["86191648","CCCC(C)CN1CCC(Br)CC1"]
["111299968","CCCC(C)C(=O)N1CC(C)OC(CN)C1"]
["139353734","Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCC(C(C)N)CC2)c1.Cl"]
["113630545","CCCn1cc(Br)cc1C(=O)NC(CN)C1CCCC1"]
["106331033","CCC[C@@H](Br)Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1"]
["150052111","C[N+]1(C)C2CCC(OC3CC4CN3CCC4O)C1CC2OC1CCN2CCC1CC2"]
["175822112","CC(C)Oc1ccc(-c2cc3c(cc2F)[C@H](N=C(O)O[C@H]2CN4CCC2CC4)C(C)(C)C3)c(Cl)c1"]
["143507800","Cn1ccnc1C(NCC1CCN(C2CC2)C1)C1CC1"]
["67161830","CN1CC[C@H](O)[C@H](O)C1"]
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["104515873","CC(=O)[C@@H]1CN2CCC1CC2"]
["47563055","CC(C)(C)C1C(O)CCN1C(=O)[O-]"]
["33243164","CCCCC[C@@H](/C=C/[C@@H]1[C@H]2C/C(=C\\CO)C[C@H]2C[C@H]1OC1CCCCO1)OC1CCCCO1"]
["171118128","C=C[C@H]1CN2CC[C@H]1CC2C(=O)c1ccnc2ccc(OC)cc12"]
["189946883","OC(=NC1CCc2cc(-c3cc(Cl)cc(Cl)c3)ccc21)O[C@@H]1CN2CCC1CC2"]
["172421269","c1cnc(O[C@H]2CN3CCC2CC3)nc1"]
["97754013","C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(S)=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC(C)C)cc12"]
["180562010","PN[C-]1[CH-]CN(P)[I+]C1"]
["175010339","PNC12CN3CN(CN(C3)C1)C2"]
["195407553","[CH-]1[CH-]N2N[I+]C1P2"]
["81904403","COCC12CCCC(NP)(CC1)CC2"]
["195541230","[NH-][C-]1C[I+]CCN1P"]
["179087068","CC(C)[C-]1[CH-]C[I+]C1"]
["173083055","C[C-]1[CH-]C2C[I+]N(C1)C2"]
["48433693","[CH2-]C(C)C(C)([C-]=O)N1[CH-]CCC(C)(NP)C1=O.[W+2].[Y]"]
["81904402","CC(O)CC12CCCC(NP)(CC1)CC2"]
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["81904401","C#CC12CCCC(NP)(CC1)CC2"]
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["186544904","C=C(C)C(C)/C=C\\C(C)=C(/C)N(C(C)=CC)C(C)(CC)CCC"]
["173496044","C[B]C(C)(CC)CC(C)(C)CC"]
["173760814","C[B]CCCC(C)C(C)(C)CC"]
["148660119","CCC12CC3(CC)OC(CC)(O1)OC(CC)(O2)P3C(C)(C)C"]
["150324390","C=C(C)C(C)(CC(C)(C)CC)C(C)(C)CCC"]
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["69581373","CCC(C)(C)C[C-](C)CC(C)CCC(C)(C)C[C-](C)CC(C)C.[Y].[Y]"]
["173849084","C[B]C(CC)(CC)C[B]C(C)(CC)CC"]
["176024790","[B+]=C1C(=[B+])C(=[N+]([O-])[O-])C(=[B+])C(N([O-])[O-])=C1Cl"]
["199298115","[B+]=C1C(=[Cl+])C(N([O-])[O-])=CC2=C1OCO2"]
["176090418","CC.[B+]=C1C=C(N([O-])[O-])C=[N+]=C1C"]
["195459676","CN([O-])C1C(N)C([N+](=O)[O-])C1Cl"]
["137031307","CC(C)CN(CC(=N)O)Cc1ccc([N+](=O)[O-])c(Cl)c1"]
["171659699","O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(OCl)c([N+](=O)[O-])c1Cl"]
["192218588","[Ca+2].[O-]c1c(C2CC[CH+]CC2)cc(Cl)cc1N([O-])[O-]"]
["150767370","O=[N+]([O-])C1=NC(Cl)=NC1"]
["195887275","[B+]=C1[C-]=C(C)C(N([O-])O)C(C)=C1"]
["99732722","[B+]=C1C(=[N+]([O-])[O-])C(Br)=NN1CCCO"]
["158029216","Cc1c(C(=N)O)ccc([N+](=O)[O-])c1Cl"]
["25192045","[O][N+]([O-])=C1C([N+](=O)[O-])=C=CC=C1Cl"]
["192564969","CC(C)(C)CC1=CC2=[N+]3C1=CC1=[N+]4C(=Cc5cc(CC(C)(C)C)c6n5C34n3c(cc(CC(C)(C)C)c3=C2)=C6)C(CC(C)(C)C(F)(F)F)=C1"]
["184747051","CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C3(C(F)(F)F)CC3)cc2)c(Cl)c1"]
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["188206558","CC(C)(C)Cc1cn(CCNS(=O)(=O)C2CCCC2)c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc12"]
["66730013","CC(C)Oc1cc(-c2nc[nH]n2)cc(C(F)(F)F)n1"]
["30929985","CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(CC(C)(C)C)n3)cc2F)CC1"]
["175680276","CC(C)(C)CC(C(=O)O)c1c(C(F)(F)F)nn(C2CCCCC2)c1-c1ccc2c(c1)CCCO2"]
["188874246","CC(C)(C)CNCc1ccc(CC(C)(C)C)c(F)c1"]
["81904305","CC(C)(C)Cc1cc(C(C)(C)C)ccc1F"]
["176452936","Cc1cc(N)c(CC(C)(C)C)cc1I"]
["167107619","CCC(O)=NCc1cc(-c2cnn(-c3c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc3Cl)c2)ccc1Cl"]
["190479161","CCOCCOC(=O)CC1CN(Cc2ccc(-c3ccc(C(C)(C)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1"]
["195426208","CCn1nc(C)cc1C(=O)Cc1nc2cc(C(=N)O)cc(OCCCOC(O)=NCCC(=O)COC)c2n1C/C=C/Cn1c2nc(-c3cc(C)nn3CC)ncc2c2cc(C(=N)O)cc(OCCCOC)c21"]
["116394625","CCN=C(NCc1ncc(-c2ccccc2)o1)Nc1cccc(OCCCOC)c1.I"]
["95125864","CCCCCn1/c(=N\\C(=O)c2cccc(OC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21"]
["30438463","COc1ccc(Cl)cc1N1CCN(CCCNc2cnc(C(O)=NCCNC(=O)O)cn2)CC1"]
["MCULE-8052110204","COCCCN=C(O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)C1c1cccc(OC)c1"]
["MCULE-5616656960","CCCCCN=C(O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)C1c1ccc(OCCCC)c(OC)c1"]
["133525994","COCCOc1cc(C(O)=NCCCOC2CCCC2)ccn1"]
["95773926","CCOCCCN=C(O)Nc1cc(C)[nH]c1C(=O)O"]
["179503960","CCCCCCOC(=O)N=C(Nc1cccc(N(CCC(=O)OCC)C(=O)c2ccc3c(c2)nc(CNC)n3C)n1)c1ccc(C)cc1"]
["MCULE-6515049970","CCCN(CCC)c1nc(N=C(O)Cc2ccc(OC)c(OC)c2)n(C2CCS(=O)(=O)C2)n1"]
["83242842","COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(O)=Nc4cc(C(C)(C)C)cc(S(N)(=O)=O)c4OC)c4ccccc34)n2)cc(OC)c1"]
["178021045","CCc1nc(C)sc1C(O)=Nc1nc2cc(C(=N)O)cc3c2n1CCCO[C@H](C)CCO3"]
["176391834","CCN1CC[NH+](CC)C1=c1/c2cc[c+](N)c(=C3N(CC)CCN3CC)c3ccc4c(C(=[N+](C)CC)[NH+](C)CC)c5ccc(c(C6=[N+](CC)CCN6CC)c6ccc1n6n[n+]43)n5C\\C=2"]
["66546282","CCN1CCN(CC)c2cc3c(cc21)N=c1cc2c(cc1N3C)=[N+](CC)CCN2CC"]
["150313927","CCn1c(CN)[n+](CC)c2ccc(OC3COC4C(O)COC34)cc21"]
["187926150","CCn1c(C[N-]C(=O)c2nc3cc[nH]c3nc2[NH3+])[n+](CC)c2ccc(C3CCN(C[C@H](O)[C@@H](O)[C@H](O)CCO)CC3)cc21"]
["166430978","CCn1c(CN)[n+](CC)c2ccc(OCCN(C[C@H](O)[C@@H](O)[C@H](O)CCO)C[C@H](O)[C@@H](O)[C@H](O)CCO)cc21"]
["178832605","C=CC(c1cc(CCCCCOCCC)cc(N2CCOCC2)c1)c1ncc(Cl)c([N+](=C)c2ccccc2C(=O)[N+](C)(C)C)n1"]
["170446107","CCn1c(C[N-]C(=O)c2nc3cc[nH]c3nc2N)[n+](CC)c2ccc(C(=O)N3CCC(CN(CC(O)C(O)C(O)C(O)CO)CC(O)C(O)C(O)C(O)CO)CC3)cc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]
["180065561","CCn1c(C[N-]C(=O)c2nc3cc[nH]c3nc2[NH3+])[n+](CC)c2ccc(CCCNC3NC3N)cc21"]
["159771120","CCc1ccc(C(C)N=C(O)CN2CC(O)=NC3CCCCC32)cc1"]
["174256294","CCc1ccc(COc2ccc3cc(C(=O)O)/c(=N/N)n(N)c3c2)cc1"]
["198744205","CCCCOCC1(COCCCC)OC(C)(c2ccc3c(N)ccnn23)[C@H](OCCCC)[C@@H]1OCCCC"]
["170446089","CCn1c(C[N-]C(=O)c2nc3cc[nH]c3nc2N)[n+](CC)c2ccc(C3CCN(CC(O)C(O)C(O)C(O)CO)CC3)cc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]
["66154366","S=C(S)[NH+]1CC[N+](=C(S)[SH2+])CC1.[Ni+2]"]
["57477895","S=C(S)[NH+]1CC[N+](=C(S)[SH2+])CC1.[Cu+2]"]
["64346037","C(=[N+]1CCCCC1)[NH+]1CCCCC1"]
["25060149","CC(C)SC(=S)S"]
["176468655","OCC[NH+]1CCN(C(=S)S)CC1"]
["1105195","S=C([S-])S"]
["56901469","CC1CC[NH+](C(=S)S)CC1.CC1CC[NH+](C(=[SH+])[SH2+])CC1.[Pt+2]"]
["190446017","CC(C)(C)c1cc(C2CC2)c(Cl)cc1O.CC(C)(C)c1cc(Cl)c(Cl)cc1O"]
["191664430","C1CCNC1.N=C(S)S.SC(S)=NN1CCCC1"]
["100317161","S=C(S)C1CCCN1C(=S)S"]
["181130901","OCC(CO)(CO)CC(=S)S"]
["174364939","C#C.S=C(S)S"]
["75526489","[Cl+]C=CCC1(I)N2CN3CN(C2)CN1C3.[Cl-]"]
["179490073","C1C2CN3CN1CN1CCC1(C2)C3"]
["157038678","C[C@]1(O)CCN(C/C=C/CS)C1"]
["198558963","C[NH2+]CC1(CC=O)CCCNC1"]
["77771663","NCC(N=C(O)C=Cc1c[nH]c2ncccc12)C(c1ccccc1)c1ccccc1"]
["126245604","CC1(O)CCN(CC=CCN2CCC(C)(O)C2)C1"]
["58536173","CC(=O)N(CN1CN2CN(C1)CN(CN(C(C)=O)C(C)=O)C2)C(C)=O"]
["58503304","C1N2CN3CN1CN(C2)C3.[Zn]"]
["94311558","CC1(C)CC(=O)N(C/C=C/CS)C1=O"]
["199373197","C1N2CN3CN1CN(C2)C3.C1N2CN3CN1CN(C2)C3.O=C(O)CCC(=O)O"]
["77039101","CCC(Br)C1CC(O)C(O)CC2OC(C=C=CBr)CC2O1"]
["91284267","BrC=CCC1N2CN3CN(C2)CN1C3"]
["184150724","C=CC[C@@H]1C=Cc2sc3occc3c2C1CN=C"]
["139809400","C=CCn1c(-c2ccco2)nn(CN(C)CC2CCOC2)c1=S"]
["116415876","C=CCCCCCN(C)C(=NC)NCCCN=C(O)c1occc1C.I"]
["74729174","C=CC[C@H]1CC[C@H](C2(C(=O)O)C=CC(c3ccccc3)C=C2)CC1"]
["151967730","C=CC[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(F)cc1"]
["172365777","C=CCC(C=NC)(NC)c1ccc(Cl)c(Cl)c1"]
["121217843","C=CCN=c1[nH]cc(C(O)=NCC2CCCOC2C(C)(C)C)s1"]
["69026283","C=CCn1c(C)c(CC(O)=NCC2CCCO2)c(=O)n2nc(-c3ccc(C)cc3)nc12"]
["68891568","C=CCC1CC2=CCCCC21"]
["178352690","C=NCC1OB(O)c2c(OCCO)ccc(Cl)c21"]
["6009212","Cc1ccc(CN(Cc2ccco2)C(O)=NC[C@@H]2CCCO2)s1"]
["MCULE-2557992673","[N-]=[N+]=NCC1CC1c1ccc(N)cc1Cl"]
["78182564","BrCCOCCOOCCBr"]
["161933696","CCCCOCCCC.NN"]
["175705819","CCO[Si](OCC)(OCC)OCCBr"]
["91679661","BrCc1cccc(CBr)c1OCCOCCOc1c(CBr)cccc1CBr"]
["170444252","COC(=O)C(c1cc(OCCCCOCCBr)no1)C(C)C"]
["58209396","CCOCCOCCO.OCCOCCO"]
["105592833","CCCCOCCO[C@H](CBr)c1cccc(F)c1"]
["84966990","CCCCOCCC(CBr)CBr"]
["66427891","CCOCCOCCC(O)CN"]
["79239279","CC(C)=COCCOCCOC=C(C)C"]
["181068023","BrCC[Se](Br)Br"]
["78265929","CCOCCOCC.O=C(O)O"]
["46359352","NN1C2=C3N=C4NC(=N2)N=C(N4)NC1N(N)N3N"]
["192953292","CC1=NC(=NC2CCCC2)NC(Cl)N1N"]
["60360561","CSC1(N)N=C(C(C)(C)C)N=C(C2CC2)N1N"]
["58056572","CCC1=NC(NC(C)(C)C)=NC(Cl)N1N"]
["195954517","NN1C=CC2NC(Br)=CN=C21"]
["184172654","CC1=N/C(=C2\\CNCC2C)N(N)C(C)C1C"]
["163127295","C/C(=C\\c1cc(C)[nH]c1C)C(C)N"]
["MCULE-3684343931","CC(C)(C)C(n1nc(C2CCC2)c(N)c1N)C1(C)CC1"]
["114442344","CC1=C/C(=C(\\N)N=O)NC(n2ccc(C)n2)=N1"]
["15241169","CC1=C2C(=O)N=C([C@H](C)S[C@@H]3NN=C(c4ccc(C)cc4)N3N)N=C2S[C@H]1C"]
["161760276","CSC1NC(=NC(C)C)N=C(C)N1N"]
["8541286","Cc1ccc(CS[C@@H]2NN[C@@H]([C@@H]3C=C(c4ccc(F)cc4)N=N3)N2N)cc1"]
["179950192","NC12CC3(N)CC34C1(C2)C12CC1(N)C1(N)CC142"]
["60734013","NC1(C(=O)O)CC12C(=O)CC2=O"]
["187392965","NC12CC3(F)CC4(F)CC(F)(C1)C34C2"]
["33261112","COC(=O)C1(N)CC12CCCCC2"]
["46525300","C1CC12CC21CC12CC2"]
["179919048","C/C=C/C12CC(N)(C1)C2"]
["69788983","CC1(C)CC1(N)C(=N)O"]
["85439927","CC1(C)CC(N)(C(=O)O)C(C)(C)O1"]
["197291833","NC1(C2(O)CCSC2)CCSC1"]
["199465487","NC12CC3(CF)CC13C2"]
["89575530","N=C(O)C1(N)CC12CC2"]
["157285212","CC[C@@]1(C)C[C@@]1(N)C(=O)OC"]
["79155843","N[CH+]CCCC[CH-]N"]
["99503930","CCCCC[CH-]N.[Cl-].[Co+2]"]
["24896851","C[CH-]CCC[CH+]CCCC"]
["78366227","CCCC[CH-]CC[CH+]C(C)C"]
["179061420","CCC[CH-]N"]
["25740777","N[CH+]CCCCCS[O-]"]
["78117905","CCCCCCCCC[CH-]C[CH+]CCCCCCCCCCC"]
["66071443","CC[CH-]N.[Rb+]"]
["46939399","CCCCCC[CH-][Se]C.[Li+]"]
["180187679","CC[CH-]N.[CH3-].[U+2]"]
["99551592","N[CH-]CCCCCl.[Co]"]
["79838715","N[CH-]CN[C+]=O"]
["82055529","O=C1N=C2C=C(Br)C=C(Br)C2C=C1S(=O)(=O)C1C=c2c(Br)cc(Br)cc2=NC1=O"]
["53837393","Cc1cc(Br)ccc1C(=O)N(C)CC(=O)N1c2ccccc2N=C(O)C[C@H]1C"]
["170320525","Cc1cc(N(C2CCCCC2)N2C(=O)CSC2=S)c(C)cc1Br"]
["148949697","Cc1cc(CNS(=O)(=O)c2ccc(Br)cc2)nc(N2CCOCC2)n1"]
["143481487","O=C1N=C(O)CCC1N=C(O)c1cc(Br)cc([N+](=O)[O-])c1Cl"]
["83417010","CCOC(=O)c1ccc(S(=O)(=O)N(CCCO)CC2C=c3c(C)cc(C)cc3=NC2=O)cc1"]
["12125145","CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCO1"]
["77430947","CCCC(c1nnnn1CCOC)N(Cc1ccco1)CC1C=c2c(C)cc(C)cc2=NC1=O"]
["191968104","CN(C1CCOC1)S(=O)(=O)c1cnc2ccc(Br)cn12.Cc1cc(-c2ccc3ncc(S(=O)(=O)N(C)C4CCOC4)n3c2)cn(C)c1=O"]
["166738258","NS(=O)(=O)c1nc([N+](=O)[O-])cc(C(F)F)c1Br"]
["30423837","COc1nn(C)c(=O)n1Cc1cc(Br)ccc1C"]
["62876278","Cc1cc(Br)cc2c1N(CCCl)C(=O)C2=O"]
["187065558","c1cc2c3ccc4c5ccc6c7c5n5c4c3n3c2c2c1=c1ccc4c8ccc9c%10ccc=6c6c%10n%10c9c8n8c4c1B2C1C3C5C(B76)[C@H]%10C18"]
["99535973","Cc1ccc(C)c(C(C)c2ccc(Cl)n([O-])c2=S(=O)=O)c1"]
["172071407","Cc1ccc([B-](c2ccc(C)c(F)c2)(c2ccc(C)c(F)c2)c2ccc(C)c(F)c2)cc1F"]
["190975941","c1ccc(B(c2ccccc2)C2C3Sc4cccc5c6ccc7c8c6n(c45)C3C3B8c4c-7ccc5c6cccc7c6n(c45)[C@@H]3C2S7)cc1.c1ccc(B(c2ccccc2)c2c3sc4cccc5c4n4c3c3c6c2sc2cccc7c2n6-c2c(ccc6c2B3c2c(ccc(c2-4)C5)C6)C7)cc1.c1ccc(B(c2ccccc2)c2c3sc4cccc5c6ccc7c8c6n(c3c3c6c2sc2cccc9c%10ccc-7c(c%10n6c29)B38)c45)cc1"]
["185292346","Clc1nccc2nc(Cl)n(C3CC3)c12"]
["52444720","Nc1c(F)cc(F)c2c1ccc(=O)n2C1CC1"]
["179989152","CNC[C@@H]1CN(C)c2c(Cl)cccc2O1"]
["198475202","c1cc2c3c(c1)Sc1c(ccc4c5cccc6c7ccccc7n(c14)c65)B3c1ccc3c4cccc5c6ccccc6n(c3c1S2)c54"]
["184432637","C[C@@]12CC[C@@H](O1)n1c3ccccc3c3ccc4c5ccccc5n2c4c31"]
["6961021","Cc1cccc([C@@H]2[NH2+]CCCn3cccc32)c1"]
["44803306","Cc1n(C)[nH+]c[n+]1C"]
["145277422","CC(=S)OC1c2cccc3c4ccccc4c4ncc(n4c23)C1(C)C"]
["180573890","C=S1#CC=C[N-]CC1"]
["173236855","[O-]S1=CCC[N-]1"]
["195555405","NI=C1[C-]=C=CCC1"]
["69623887","C1=C[N-]CC[N-]C=CC=NCCN=C1.[Co+2]"]
["76045199","[O-]S1=CCC#[N+]CC1"]
["77049361","C=c1ccc(Cl)cc1=C1[N-]CCN1.[Li+]"]
["184996940","C=S1CC(C)=CC=C1C"]
["180499303","C=C1CS2=C=[B-]1C2"]
["43432051","CN1C=C[N-]C1"]
["25442268","[O]S1=C=COCC1"]
["49587039","C1=C[N-]CC1.[Na+]"]
["54666126","O=C1CN2C=C=CN2C1=O"]
["173166788","Fc1cccc(P[PH2+]c2cccc(F)c2F)c1F"]
["MCULE-5588532261","Cc1noc(C)c1-c1cc(F)ccc1N=C(O)Cc1cccc(F)c1F"]
["109335138","C[C@@H]1C[C@H](Nc2cccc(F)c2F)CC(C)(C)C1"]
["102869619","CC1(C)[C@H](N=C(O)[C@H]2C[C@@H]2c2cccc(F)c2F)[C@@H]2CCO[C@H]21"]
["MCULE-2900424175","Cc1cncc(N=C(O)CSc2ccc(-c3c(F)ccc(F)c3F)cc2)c1"]
["CSSS15133566178","CN=C(O)CCc1cn(Cc2cccc(F)c2F)nn1"]
["170404007","C=C[S@](=O)c1ccccc1F"]
["162083308","CC(=O)C(N)c1cccc(F)c1Cl"]
["59076196","O=C(c1ccc[nH]1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1"]
["65578184","O=C(O)C1CCC(N=C(O)Nc2cccc(F)c2F)C1"]
["26535296","CCc1c(N)cccc1F"]
["182524970","Cc1nc2cccc(F)c2c(N2CC(C(=N)O)=C(C(F)(F)F)N2)c1F"]
["61353863","[CH+]=C1C(=[CH+])C(=O)C(=O)C(=[CH-])C1=[CH-]"]
["55237716","[CH+]=c1ncncc1=[CH-]"]
["32236361","[CH-]=C1CC[C]2OC(=O)[C@H]1C2(C)C.[Li+]"]
["21160319","C[C@@]1(C(Cl)(Cl)Cl)C=C([O-])C(=O)C(Cl)=C1"]
["161262073","O=Nc1c(N=O)c(=O)c(=O)c1=O"]
["58327665","[CH+]=C1C(=[CH-])C(=O)C(=[CH-])C(=[CH+])C1=O"]
["69628283","[CH-]=C1C=NC2=C=CC(I)C=C2C1=O.[Y]"]
["65899898","[CH+]=c1oncc1=[CH-]"]
["43208052","Cc1c([O-])n2c(C)cc(=O)[nH]c2cc1=O"]
["145764990","O=C1COCC(=O)C1=O"]
["59659159","[CH+]=c1c(=[CH-])c(Cl)cn1C"]
["49652732","O=C1Cn2c(cc3ccccc32)C1=O"]
["53869581","CC(F)C(F)CCC(F)C(F)C[NH2+]CC(F)C(F)CCC(F)C(C)F"]
["90083969","CC(F)CCn1nnnc1C=O"]
["78996746","FC(F)CCC(F)CC(F)F"]
["154956712","CC(C)C[C@@H](F)CBr"]
["81047801","CCCCCCCCCCCCCCCC(F)C(C)N"]
["181903182","CCNCCC(F)C(F)(F)F"]
["190171759","CC(F)OC(Cl)Cl"]
["107570154","C[C@H](C#N)N1CCN(CCN)CC1"]
["114732888","CC(CS(C)(=O)=O)NC(O)=NCCC(O)C(=O)O"]
["84194388","CCNCC(C)F"]
["179985515","C[C@H](O)[C@@H](C)C(F)CCCl"]
["169854732","CSCC(F)CC(C)C"]
["173902081","[B+]=C1C=C2C(=NC1C)N1C(=CC(C)c3nccc(SC)c31)N=C2N1C[C@@H](C)N(C(=C)[C-]=C)CC1C"]
["82173777","CC1CN2c3c(cc4c(-c5ccncn5)noc4c3Cl)CC3(C(O)=NC(=O)N=C3O)C2C(C)O1"]
["124467230","Cc1nn(C(C)(C)C)cc1C(=O)N1CCN(c2nccnc2C#N)CC1C"]
["158748903","Cc1ccnc(-n2nccc2NC(=O)N2C[C@H](O)C[C@H]2C)c1"]
["7586378","CC(=O)N1CCN(c2cc(Cl)nc(SCC(O)=NC(C)(C)C)n2)C[C@@H]1C"]
["199858349","Nc1nc(Cl)cnc1Sc1ccnc(N2CCCC2CO)c1Cl"]
["18353052","CSc1ccccc1N1C(=O)CN(C(=O)c2cc(F)c(F)cc2F)C[C@H]1C"]
["142384682","Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CC(C)CCCC1C"]
["MCULE-9025501482","COc1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1-c1c[nH]c2nccc-2c1"]
["9762630","Cc1nc(COc2cccc(/C=C/C(=O)N3C[C@@H](C(=N)O)CC[C@@H]3C)c2)cs1"]
["76672315","CSc1ccc(Oc2c(Cl)cc(N3NC(C(=O)O)C(O)=NC3=O)cc2Cl)cc1C"]
["MCULE-4093934111","Cc1cc(-c2cc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2F)ccn1"]
["161808855","n1nc2c1c1nnc1c1c2nc2nnn21"]
["34423218","Cc1nnc2nc3c(nn12)C(=O)c1ccccc1-3"]
["99012041","C=c1cccc2c1c(O)c1nn3nnnc3nc12"]
["153360563","C[C@H](O)Cn1cnc2c(S)nc(F)nc21"]
["199162363","[2H]c1nc2nc(C([2H])([2H])[2H])cc(N(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])n2n1"]
["90210300","N#CC1(c2nnn(-c3ccccc3)n2)CC1"]
["111824054","CCC(C)(C)CNc1cc(C)nc2ncnn12"]
["149549943","CC(C)(C)c1cn(C2(C#N)CC2)nn1"]
["33259212","Ic1nnn2c(I)cccc12"]
["12279684","Clc1ccc2c(c1)nnc1nnnn12"]
["32594889","CCOC(=O)c1nnn2c1c(=O)n(C)c1cc(OC)ccc12"]
["26211999","N1=NN1c1c2nnc2c(N2N=N2)c2nnc12"]
["178394500","[B]C1CNC(S)CNC([B])C[NH2+]C([B])CN1"]
["175084988","CC1CNC(S)C1"]
["12238674","CC[C@H]1C[NH2+][C@@H](C)CN1"]
["183648824","N=C1CC(S)CN1"]
["89653763","CC1CN(C2CCCCCC2)C(CCO)CN1"]
["100384297","OC1CCSNC1"]
["162030657","S[C@H]1C=CCCN1"]
["179704844","[B]C1COC(CC)C[NH2+]1"]
["173731886","[B]C1O[C@H](CO)CNC1O"]
["81270407","OCC(O)C1NCC(O)C1F"]
["173448063","[B]C1CNC([B])CN([Se-])C([B+])CNC([B])CN1"]
["180039237","S[C@H]1CC2(CC2)CN1"]
["78679974","C=[O+]S([O])([O-])C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)I"]
["63685781","O=C(O)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)I"]
["173657986","IC(I)(I)C(C(I)(I)I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)C(I)(I)I"]
["171480665","O=C(CC(I)(I)C(I)(I)C(I)(I)I)C(F)(F)F"]
["148817226","[O]C(I)(I)C(I)(I)C(I)(I)C(C(I)(I)I)(C(I)(I)I)C(I)(I)I"]
["73683199","C=[O+]S([O])([O-])c1ccc2c(Br)cccc2c1"]
["173608977","N=C(O)C(I)(C(=N)O)S(=O)(=O)O.[H-].[Na+]"]
["182028031","O=S(=O)([O-])S(=O)(=O)C(Cl)(Br)I"]
["73692600","C=[O+]S([O])([O-])c1cc(Cl)ccc1F"]
["25907204","C=[O+]S([O])([O-])c1ccc(CCCC)cc1"]
["74700686","C=[O+]S([O])([O-])c1ccc(F)cc1"]
["181063920","[N-]=[N+]=NC(I)(I)C(I)(I)C(I)(I)I"]
["53523793","[CH+]PON(CCN(P[O+]=[CH-])P[O+]=[CH-])OP[CH-]"]
["79164331","CCON(CCN(OCC)OCC)OCC"]
["79248302","CO[Si](C)(CCN(C)[Si](C)(C)C)OC"]
["178825340","COCCN(CCOC)c1nc2ccc(I)cc2s1"]
["162311810","OP(#P)N(CCN(O[P+]#P)O[P+]#P)P(O)#P"]
["171420562","CC[Si](CC)(CC)OC(O[Si](CC)(CC)CC)[Si]CCCN([Si](C)(C)C)[Si](C)(C)C"]
["78975599","C[Si](C)(C)N(CCCCO[SiH3])[Si](C)(C)C"]
["68373233","C[Si](C)(C)OCCCCN([Si](C)(C)C)[Si](C)(C)C"]
["67035929","[CH-]=[O+]CC(COCC(C[O+]=[CH-])(C[O+]=[CH-])C[O+]=[CH-])(C[O+]=[CH-])C[O+]=[CH-]"]
["99725775","C[P+](O)(O)ON(CCN(C[P+](O)(O)O)C[P+](O)(O)O)C[P+](O)(O)O"]
["171378301","CCCON(CCN(OCCC)OCCC)CCN(OCCC)OCCC"]
["50684053","COCCN(CCOC)c1cncc(CCl)n1"]
["176314527","IC12C=CC3[Se]C3C1[Se]2"]
["99698761","IC12C=CC(C=C1)C2"]
["181891120","CC12[Se]C1C=CC1[Se]C12"]
["169804378","IC1(I)C=CC=C1"]
["65219674","NC1C=CC=CC1(Cl)I"]
["180136703","CC1CC(C)(I)C=CC1C(C)(C)C"]
["11305984","O=S1(=O)[C@@]2(I)C=C[C@@H]3[C@H](C=C2)[C@@]31I"]
["180817912","COC12CC13C=CC2C3"]
["109026302","O=S1(=O)C2(I)C=C[C@H]3[C@H](C=C2)C31I"]
["178192732","IC12C=CC=CC1C=CC=C2"]
["176121573","FC12C=CC3[Te]C3C1[Te]2"]
["45676248","COC12C=CC3(OC)C=CC(OC)(C=C1)C23"]
["167569629","CC1OCOC(C)(C)C12C(C)OCOC2(C)CCC1OCOC(C)(C)C12C(C)(C)OCOC2(C)CCC1(C)OCOC(C)(C)C12C(C)(C)OCOC2(C)C"]
["82606864","CC=CCCCC1OC2(C3(O[Si](CC)(CC)CC)CCCC3)OCC1(C)CO2"]
["75116353","CC[C@]1(C)OCO[C@@H]1C"]
["88225739","CC1OCCC1(CN)Nc1ccc(Cl)c(Br)c1"]
["200125216","CC1(C2CNC2)CC2=CC(Cl)=NNC2=N1"]
["32817079","COCO[C@H]1C[C@@H](C)[C@@](C)(CCC=O)C2=C1[C@@H](/C=C(\\C)CCCO)OC2"]
["112996172","CC#CC(O)=NCC1(O)CCOC1C"]
["162157667","C=CC(C)(C)C1(C(=O)O)OCOC1C"]
["175163087","CC(C)=C=C=C1C=[C-]C(CCC2(C)OCCO2)C=C1.[Ho]"]
["172640700","CC[C@]1(CC[C@H]2O[C@]2(CC)CC(C)C)O[C@@H]1C"]
["173049388","[B][C@H](CC[C@@H]1OCOC1(C)C)CC1CCCCC1"]
["182924859","CC1OCOC1(C)F"]
["173691714","[B]C1([B])S[C-]2SC(C3S[C-]4SC([B+])([B+])C([B+])([B+])S[C-]4S3)S[C-]2SC1([B])[B]"]
["173390939","C.[B]C1C[CH-][C-](C)C([B])C1([B+])[B+]"]
["196375635","[B]C1([B])CC([CH-][O-])CC([B+])([B+])O1"]
["173828929","[B]C1([B])C([N-][C-]=S)C1([B+])[B+]"]
["99722062","[B][C@@H]1SC[C@@H]2N=C(O)N[C@@H]21"]
["175246421","[B]C1([B+])C(O)=NC([B+])([B+])C1[C-]1C(=[B])C(=[B])[C-](OC)[C-](OC(CC)CC)C1=[B]"]
["184273299","[B]C1([B])C2CC(C3C4[CH-][CH-]C(C4)C32)C1([B+])[B+]"]
["162194318","O=Cc1nc2c(s1)C1(CC1)CNC2"]
["200178932","[B]=C1[CH-][CH-]C2=C([CH-]1)OC(C1=NC([B+])C([B+])([B+])N1)CO2"]
["170575118","[B]C1([B])C([O-])C([O-])N(C)C1([B+])[B+]"]
["165792908","CC1(C)C(=O)[C@H]2C=C[C@@H]1C=C/C=C\\2"]
["173759455","[B]C1([B+])NC([B+])([B+])C1O[C-]1C(=[B])[C-](F)C(=[B])[C-](F)C1=[B]"]
["31992146","Cn1c(-c2ccc(C=[NH+][N]C(=O)c3ccc(C(=O)N=[N+]=Cc4ccc(C5=C[n+]6ccccc6[NH+]5C)cc4)cc3)cc2)c[n+]2ccccc12"]
["127055595","Cn1ccc(=NC(=O)C=Cc2ccc(C(N)=O)cc2)[nH]1"]
["48203739","CS(=O)(=O)N(CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccccc1Br"]
["149183666","CC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2c(C)[nH]c3ccccc23)cc1"]
["MCULE-1208422726","CCc1ccc(C2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1"]
["44451348","CCOc1ccccc1N=C(O)C(Sc1nncn1Cc1ccco1)c1ccccc1"]
["24703860","CN(C)/N=C/c1ccc(C(O)C(=O)c2ccccc2)o1"]
["18146556","COC(=O)C1=C(C)N=C(/C=N/c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1"]
["MCULE-3672341096","CC(C)OC(=O)c1ccc(CNC2=C(c3ccccc3Cl)C(=O)N(Cc3ccco3)C2=O)cc1"]
["12984066","C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\\sc4c5ccccc5ccc4n3C)cc2)C1"]
["28594638","CCOC(=O)n1[nH]c(=NC(=O)c2ccc(N3CCN(C)C(C)C3)cc2)c2c1CN(C(=O)[C@H](OC)c1ccccc1)C2"]
["118279451","CN=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)NC1CCC(SC)C1"]
["56935179","CCC(C)[Si+][Si](=[Si-]C(C)CC)C(C)CC"]
["68454724","CCOCCC(=O)C(C)C"]
["91531649","CCOCCOC(=O)C(C)S"]
["190598168","CCC(C)C(CC)[I-]C"]
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["17805873","CC[C@@H](C)[C@H](NC)C(=O)O"]
["79651622","CCOCCN(CCOCC)[C@H](C)C(=O)O"]
["65371888","C=C(C(C)C)[C@@H](CC(=O)OC)[C@H](C)CC"]
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["83498685","CC[C@H](NC(=O)O)C(C)O"]
["57447171","CCC(CC)CC(C(=O)O)C(=O)O"]
["87491421","CCC(CC(=O)O)N=C(O)N(CCOC)C(C)CC"]
["79064254","C[SiH](C)OC(S)=S(O[SiH](C)C)(O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C"]
["79751439","C[CH]CN=C(S)S"]
["173286243","CC(O)C(=O)O[SiH](C)C"]
["79690779","CC(O)=N[C@@H](CS)C(=O)O[SiH](C)C"]
["173544626","CCC[SiH](CCC)OC(=O)N=NC(=O)O[SiH](C)C"]
["175598231","C[SiH](C)OC1(O[SiH](C)C)CCCCC1"]
["74021244","C1CC1.CC(C)=C(C)C(=O)OS"]
["78526947","CCCCCCCCCCCCC(=O)O[SiH](C)C"]
["99633492","O=C(S)N(CC=CCl)CC=CCl"]
["79776190","[CH2]CCO[SiH](C)C"]
["96709228","CC(=O)O[Si](C)(C)[SiH](C)C"]
["75212261","COC(=S)S.Oc1ccccc1"]
["161725712","C1CC2C[Si](=[Si][Si]#[Si]2)C1"]
["156233237","NC(CNCC1CCCO1)P(=O)(O)O"]
["MCULE-8607890475","Cc1cc(=O)c(-c2ccnn2C2CCCCO2)c[nH]1"]
["78051722","[GeH3]C1CCCC1"]
["178694284","C1#CC2CCCCCC1CC2"]
["69822480","COC1OCC2CCCCCCCC21"]
["55747190","C[C@@H]1CCCC[C@@H]1NC1=NCCCS1"]
["171956832","CC(C)[Si](C1CCCCC1)C1CCCCC1"]
["100359942","O=C1CCCC(N2CCCC2)O1"]
["162394359","N=C(NN)C(C1CCC1)C1CCC1"]
["26369695","O=C1CCCCCCC2ON2CCCC(=O)CCC1"]
["75177352","[CH2+]C1C=C2CCCCC2=C[N-]1"]
["96732766","CC(C)(C)[N-][Se][N-]C(C)(C)C.CC(C)(C)[N-][Si](C)(C)[Si](C)(C)[N-]C(C)(C)C.[Sn+4]"]
["52784610","CC(C)(C)[N-]CCNC(C)(C)C.[Cl-].[Ga+2]"]
["90838492","CCC1OC1(C)C(C)O[Si](C)(C)C(C)(C)C"]
["170450369","CC(C)(C(F)(F)F)[Si](C)(C)Cl"]
["190138400","CC(C)(C)[N-]C(C)(C)C.[Cl-].[Cl-]"]
["32343449","C[C]1C(C)=C(C)C(C)=C1[Si](C)(C)[N-]C(C)(C)C.[CH2][Si](C)(C)C.[Cr+2]"]
["167316394","C/C(=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)CCO"]
["194747176","CC(C)(C)[N-][Si](C)(C)C.CCN(CC)CC[N-][Si](C)(C)C.[Co+3]"]
["165801586","CC(C)(C)c1ncc(B2OC(C)(C)C(C)(C)O2)[nH]1"]
["184347317","CC(C)(C)C1=NC(I)=IO1"]
["56064537","C[Si](C)(C)OC(F)(F)F"]
["149717499","CCC(C)CC[Si](C)(C)C.CCC(C)[Si](C)(C)C(C)(C)C"]
["74037701","C=C1C[PH](=C)C(=C)C(=C)C1=C"]
["78199301","C=C1C=CC=C1.[CH]"]
["185360718","C=C1C[NH2+]CC1=C"]
["45636674","C=C1CCOc2ccc(OC)cc21"]
["173010615","C=C1C=CCC=C1.C=O"]
["150162628","C=CC=C1C(=C)CC(C)=CC=C1C"]
["179516215","C=C1C2CC3C4CC1CC3C4C2"]
["104656376","C#C[C@]1(C)OCCOC1=C"]
["32182664","C=C1C(=C)C2=C1CCCC2"]
["60174280","C=C1COCC(=C)C1=O"]
["99611860","C=C1CN(C)C(C)C1=C"]
["156261670","C=C1Oc2cc3c(cc2O1)SCS3"]
["99799578","CN(C)N([Si](N(C)C)N(C)C)[Si](N(C)C)(N(C)C)N(C)C"]
["61150616","C[OH+][B-](F)(F)F"]
["189961142","CC(C)N([Si](C)C)[Si](C)(C)N"]
["153038632","CCN(C)C1(CN)CN(C)CN(C)C1"]
["194353819","C.C=C[Si](NC)(N(C)C)N(C)C"]
["79277183","CN(C)[Si](C)=O.CN(C)[Si](C)=O.[Sr]"]
["99376382","CCN(CC)[Si](N(C)C)N(CC)CC"]
["65740727","COc1nc(Cl)nc(N(C)C2CCOCC2)n1"]
["99375755","CN(C)[Si](Cl)CC(C)(C)C"]
["164215058","COCCN(C1CC1)N(C)C"]
["97098693","C#C[Si](C)(C)N([Si](C)(C)C#C)[Si](C)(C)C#C"]
["99665221","CN(C)N(N(C)C)[P+](O)(O)N(C)C"]
["195595180","NNOOc1ccc([N-]C2=CCC=C(OON(N)N)C=C2)cc1"]
["MCULE-5721639543","COc1ccc(OC)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)c(C)c2)c1"]
["106391380","Cc1nc(CN)c(-c2ccc(OC3CCCC3)cc2)[nH]1"]
["185964744","C=CC(=O)OCCCCc1ccc(N(C2=CCC=C(OCCCOC(=O)C=C)C=C2)c2ccc(C)cc2)cc1"]
["94275483","CC(C)(CN)C(=O)c1ccc(OC2CC2)cc1"]
["108883569","C[C@H](Cc1ccc(OC(C)(C)C)cc1)NC1CC1"]
["125953206","Cc1ccc2oc(C(=O)NC3CCCC(C(F)(F)F)C3)cc2c1"]
["84032843","COC1=CCC=C2C=CC(=O)C21Cc1ccccc1"]
["173548379","CC.CN=C1NC(C#CC2=CCC=C(Oc3ccc(N(C)C)cc3)C=C2)=C/C1=C/C(C)F"]
["154920310","COc1ccc(N(N)c2nc(NC3CC[C@H](CO)C3)ncc2N)cc1"]
["64808635","CN=C(O)CNS(=O)(=O)c1ccc(C#CCN)cc1"]
["99116246","CCC1=CC=CCC=C1n1nc(C)c(Br)c1Nc1ccc(OC)cc1C(=O)OC"]
["101263520","CN1[N+]=NN([BH2-]n2nnn(C)c2=S)C1=S"]
["18286190","Cc1c(/C=C2/SC(=S)N(C)C2=O)cnn1C"]
["167376369","C/C=C1\\C(=S)N(C)[C@H]1C(C)(C)C"]
["51406935","CC(=O)N1CCN(C(=O)CSc2nnnn2C)CC1"]
["14267410","CC/C=C(/C)C(=O)OCc1ncc(Cl)n1C"]
["23458521","Cn1cccc1C=C1SC(=S)N=C1O"]
["183831120","Cc1ccccc1-n1nnn(C)c1=S"]
["174308941","CC.CN1C(=S)CN=C1[O-].[Ho]"]
["50768466","CN(C(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)C1CCS(=O)(=O)C1"]
["67657804","Cc1nn(C)c(C)c1CC(=O)N1CCN(CCO)CC1"]
["143412511","Cc1nn(C)c(C)c1CN1CC2CCCC(C1)C2O"]
["MCULE-9370287773","Cc1nn(C(C)(C)C)c(C)c1CC(=O)N1CCN(C)CC1"]
["62622231","CC1C2CC3CC(C2)C(c2ncnc(C(Cl)(Cl)Cl)n2)C1C3"]
["65393869","C[C@H]1CCCCC1=NNc1ncnc2sc3c(c12)CCC3"]
["26668083","CCCCCOc1ccc(C=Cc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1"]
["MCULE-7903213210","CC(C)(C)c1ccc(-c2nc(Nc3cccc4cccnc34)cc(N3CCC(c4ncncn4)CC3)n2)cc1"]
["187412479","CCn1cnc2c(N3CC4CN(c5cc(C(F)(F)F)nc(C)n5)CC4C3)ncnc21"]
["174444911","C=Cc1ccccc1.ClC(Cl)(Cl)c1ncnc(C(Cl)(Cl)Cl)n1"]
["21991744","C[C@H]1C[C@@H]1C([O-])=Nc1ccc2oc(O)nc2c1"]
["31766936","CCCCOc1nc(N)c2nc(O)n(CCCCCN3CCN(CCOCC)CC3)c2n1"]
["160435735","CN(C)c1nccc(C2CN(C(O)=NCC3C4CC5CC(C4)CC3C5)CCO2)n1"]
["157169543","CC(=O)[C@H]1[C@H]2C[C@H]3C[C@@H](C2)[C@H]1C3"]
["25881837","COc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1OC"]
["175882429","COc1c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C45CC6CC(CC(C6)C4)C5)c3OC)n2)cc(C)cc1C1C2CC3CC(C2)CC1C3"]
["178577146","ISNc1ccc(C2=CCCCC=CO2)cc1"]
["94490654","COc1ccc(C)cc1C(O)CC1=CCCCC1"]
["97301906","C1=C2CCCC2=CCCC1"]
["88197036","COc1ccc(NC2CCCc3sc(I)cc32)cc1C"]
["172979011","N#C/C(=N\\Nc1ccc(C2=NCCO2)cc1)C(=N)N"]
["95629507","CCCNC(CC1=CCCCC1)CC(C)C"]
["169759057","O=CC=CCC1=CCCCC1"]
["140537593","OC(=NCC(O)c1ccc(-c2ccccc2)cc1)C1=CCCCO1"]
["8224265","C=C(C)COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC"]
["MCULE-9458060848","Cc1cc(=O)c(OCC(=O)Nc2ccc(Cl)cc2)cn1CCC1=CCCCC1"]
["179517348","C1=C(c2nnc(-c3ccccc3)nn2)CCCC1"]
["63421406","CCOc1ccc(CCNCc2ccc(-c3ccc(C(=O)NO)o3)cc2)cc1OC"]
["190737047","[B+]C([B+])OC1=C=C([C@@H]2Oc3[cH-][cH-][cH-][c-](OC([B+])[B+])c3C[C@@H]2[O-])CC[C-]1OC([B+])[B+]"]
["49984673","CCOC(=O)N=C1CCC2=C(COC(=O)/C=C/c3ccccc3Cl)C=C(O)OC2C1"]
["52667914","CC1=C2CCC(=[NH+]C(=O)[C@H](C)Oc3cccc(Cl)c3)CC2OC(O)=C1"]
["60853807","CCOC(=O)[NH+]=C1CCC2=C(COC(=O)Cc3c(Cl)cccc3Cl)C=C(O)OC2C1"]
["42917203","CC1=C2CCC(=[NH+]C(=O)[C@@H](C)Oc3ccccc3)CC2OC(O)=C1"]
["176501748","[B]C1([B+])C(O)=NC(=O)C([B+])(N2C([O-])c3[cH-][cH-][cH-][c-](OC([B+])([B+])C4C=C=C(C([O-])([O-])N5CCOCC5)[CH-]C4)c3C2([B+])[B+])C1([B+])[B+]"]
["176501606","[B+]C([B+])(O[c-]1[cH-][cH-][cH-]c2c1C([B+])([B+])N(C1C(O)=NC(=O)C([B+])([B+])C1([B+])[B+])C2[O-])C1C=C=C(C([O-])([O-])N2CCOCC2)[CH-]C1"]
["43781655","CC(=O)[NH+]=C1CCC2=C(COc3ccc(Br)cc3Br)C=C(O)OC2C1"]
["195069449","C=C1OC(OC2=C(O)CC(OC3=C(O)CC(OC4CCC5(C)C(CCC6C5CC(=O)C5(C)C(C7=C=C(O)OC7)CCC65[O-])C4)OC3=C)OC2=C)CC(=[OH+])C1=O"]
["175898643","[B+]C1OCC([B+])([B+])N(C[C-]2C=CC(=COC3=C4CN([C-]5CCC(O)=NC5=O)C(=O)[C-]4CC[CH-]3)C=C2)C1[B+]"]
["51765600","CC(=O)N=C1CCC2=C(COC(=O)C[C@H](N=C(C)O)c3cccs3)C=C(O)OC2C1"]
["175215633","CC.[B]C1([C@@H]2O[C@@H]3CC4[C@@H]5CC[C-]6[CH-][C-]([O-])C[CH-][C@]6(C)C5[C@@H]([O-])C[C@]4(C)[C@]3([C-]([O-])CO[C-]([O-])C(C)C)O2)C([B+])([B+])C([B+])([B+])C([B+])([B+])C([B+])([B+])C1([B+])[B+]"]
["180458499","C[NH+]1C(=O)[N-]C(=O)C([N-]Nc2c[cH+][cH+][cH+][n+]2=O)C1=O"]
["51409409","Cc1ccc(C[NH2+]Cc2c(=O)o[n-][n+]2-c2ccc(C)cc2)cc1"]
["109313302","Cc1ccc(N2C(=O)C[C@H](NC3CC3)C2=O)cc1Cl"]
["44679502","CCCNCc1cc(S(=O)(=O)N2CCOCC2C)c(C)s1"]
["158742430","C[C@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H](CO)O1"]
["65300503","C[n+]1[n-]oc(=O)c1C[NH2+]CCc1ccccc1"]
["83729260","C[NH+]1C(=O)C2=C([N-]C(=O)CC2C(O)=[NH+]c2ccc(Cl)c(Cl)c2)[NH+](C)C1=O"]
["76708449","CN1C(=O)C2C(=O)C(=C[N-]c3cccc(Cl)c3Cl)C(=O)[N+](C)=C2[NH+](C)C1=O"]
["32441639","CC1=C(C)Cn2c(=O)c3c(Cl)ccc(Cl)c3c(=O)n2C1"]
["64030324","COC(=O)C1=CC(C)[N+](=O)C=C1C(=O)OC"]
["2670230","Cc1ccc([NH+]2C(=O)C[n+]3ccccc3[C@]2(C)C(=O)[N-]c2ccc(Cl)cc2)cc1"]
["102965669","C[N+](C)=C(N1CCOCC1)n1[nH][n+](=O)c2cc(Cl)ccc21"]
["88706805","NNc1nc(C2CSCCS2)nc2c1CSC2"]
["128679364","CCC(NC(O)=NCC1CSCCS1)C1CCCO1"]
["17160836","Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2"]
["94078944","Nc1ccc(SCCS(=O)(=O)NCC2CSCCS2)cc1"]
["MCULE-6927174816","Cc1cnc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CSC4)cc1C"]
["94608868","Nc1c(Cl)ncnc1NC1CCCSC1"]
["131494643","OC(=NCCOc1ccc(F)c(F)c1)NCC1CSCCS1"]
["MCULE-3996330811","Cc1ccc(-c2c(C3CCCC3)nn3c(Cl)c4c(nc23)CSC4)cc1F"]
["138164054","COC(=O)CCCc1nc(CN2CCSCC2c2ccccc2)no1"]
["86124657","Cc1cccnc1NCC1CCCCS1"]
["94632352","CCOC1(c2nc3c(c(=NC)[nH]2)CSC3)CCC(C)CC1"]
["112375936","CC(C)Cn1nc2c(c1C=O)CSCC2"]
["53354598","C1COC(CCC(CC2=NCCO2)C2=NCCO2)=N1"]
["158001678","c1n[nH]cc1CN1CCC2(CC1)OCCO2"]
["150746343","CN1c2ccccc2C(NCCCCCCC2=NCCO2)c2ccc(Cl)cc2S1(=O)=O"]
["44759910","Cc1ccccc1N(Cc1cccnc1)C(=O)[C@@H]1CCCO1"]
["144967064","CN1CC(CN)CC1c1cccc(C2=NCCO2)c1"]
["91400722","c1cc(-c2ccc(C3=NCCO3)cc2)ccc1C1=NCCO1"]
["162849876","CCCC(C)N1C(=O)CCN=C1S"]
["21042570","Cc1csc(N2CCN(C[C@H](O)CN3CCOCC3)C[C@@H]2C)n1"]
["176592969","CC(C)CC1=NCCO1.Cc1ccccc1.N=C(O)c1c(F)c(F)c(F)c(F)c1F"]
["1135694","O=S(=O)(CC1=NCCO1)C1C(c2ccc(Cl)cc2)=NN(c2ccccc2)C1c1ccc(Cl)cc1"]
["192757913","CC(C)C1=NCCO1.CCCCCCCCCCCCCCCCCC(=O)O"]
["26901228","OCCCCCC1=NCCO1"]
["175762771","CC.CC(C)C(Cl)CCC(CCl)CCCC(CCCl)(CCCC(C)(Cl)CCC(Cl)C(C)C)C(CCl)C(Cl)(CCl)CCC(Cl)C(C)(Cl)CCC(Cl)C(C)(C)Cl"]
["149598179","CC(C)=CCCC(C)(Cl)C(Cl)C(c1cc(Cl)sc1Cl)S(=O)(=O)O"]
["79490204","CC(C)CCNC(S)=NCCCN=C(S)NCCC(C)(C)S(=O)(=O)O"]
["24642838","CCn1ncc(C(O)=NC(C)c2ccc(F)cc2F)c1C(F)(F)F"]
["169287976","CCC(C)NNC(S)=NCC(Cl)CCCCl"]
["113061313","CCC(C)(CCCl)N=C(O)C1CCC(C(F)(F)F)CC1"]
["103995870","C=C(Cl)[C@](C)(Cl)CC[C@@H](Cl)C(C)C"]
["188567419","CC(C)(O)[C@H](O)Cc1cc(C(=O)/C=C/c2ccc(O)c(O)c2)c(O)cc1O"]
["32727346","CC(C)[C@H](N)C(=O)OC1[C@@H]2OC(=O)[C@]3(C)[C@H]1C[C@@]14C2=CO[C@@H](OC(=O)[C@@H](N)C(C)(C)O)[C@H]1C[C@@H](O)[C@@H]34"]
["111379857","CCCC(CCl)CCC(C)(C)OC"]
["113248926","CC1CCC(C(O)=NC(CCCl)C(C)(C)C)CC1"]
["49913541","CCS(=O)(=O)CCCC(Cl)C(C)(C)C"]
["55112115","[3H][C+]([N-]C(=[B+])[O-])[N-]C(=[B+])O"]
["173885277","[B]C(C(=[B+])[O-])C(=O)c1ccccc1"]
["63279910","O.[B+]=C([O-])OC.[Y]"]
["69594725","[B+]=C(C)C(C(C)=O)=C(C)[O-]"]
["175209571","[B]CC(C)(C)C(=[B+])[O-]"]
["195189182","C[CH+]C(O)=[Si-]"]
["81503999","C.[O-]CC=C([O-])O.[W+2]"]
["79896033","[Ba+2].[F-].[O-][Si](O)(O)O"]
["99547411","NC(CO)(CO)CO.[B+]=C([O-])C(F)(F)F"]
["97468969","O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-].[Ba+2]"]
["45160820","[B+]=C([O-])ON"]
["190455924","[B+]=C([O-])C(=[B+])[O-]"]
["45892899","C[Si](C)(C)CCNCN(CC[Si](C)(C)C)C1C=[N+](CC[Si](C)(C)C)CN1CC[Si](C)(C)C"]
["42112173","Cn1ccnc1CCNCC1CCCC1"]
["147361138","CN1CCN=C1NCC1CCN(c2ccccc2)C1.I"]
["118742067","CCN=C(NCCC(O)(c1nccn1C)C(F)(F)F)N1CCC(N(CC)CC)C1.I"]
["118825282","CCN=C(NCCn1cnnc1CC)N1CC[C@@H](O)C1"]
["58991812","Cc1cc(CNCc2cc(C)on2)n(C)n1"]
["112918719","Cc1ncsc1CCNCC1CCCN1C"]
["160558537","C[C@H]1OCCN2C(c3nccn3C)N=C(O)[C@H]12"]
["94628109","CCN1CCOC(c2nc(C(F)(F)F)c(CNC)s2)C1"]
["151312863","Cc1ccc(CN2C[C@H]3[C@H](CNC(=O)c4ccnn4C)CO[C@H]3C2)o1"]
["118910215","CN=C(NCCN1C(=O)CN=C1O)N(C)CCOc1ccccc1C.I"]
["116413274","CCN=C(NCCCn1cccn1)N1CCOC(c2ccccc2C)C1.I"]
["172373523","On1cc(F)cc2[o+]c(SI)cc1-2"]
["120232325","C#CCN1C(O)=NC(=N)C1c1ccc(F)cc1Cl"]
["MCULE-8684745536","Cc1ccc(N=C(O)c2cc(-c3ccc(F)cc3)n(Cc3ccc(Cl)cc3)n2)cc1Cl"]
["MCULE-5693747013","Cc1cc(F)cc(F)c1Cn1cc(CBr)c(O)n1"]
["44593823","CCOc1ccccc1/C=C/C(O)=N[C@H](C)c1ccc(F)cc1F"]
["140203677","Cc1cc(Cn2cc(F)cc(I)c2=O)no1"]
["127763078","O=C(Nc1cccc(F)c1)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1"]
["MCULE-5022442517","Cc1ccsc1C(O)=Nc1ccc(F)cc1-c1cn(C)nc1C"]
["70284684","CNC(C)C(O)=Nc1cn(-c2ccc(F)cc2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O"]
["174991610","Oc1cc(F)c[se]1"]
["186960373","O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2Oc2ccc(F)cc2Cl)CC1"]
["125953024","O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)C2CCOC2)CC1"]
["187215758","C=CC1=C(C)[C@@H](CC2=C(C)[C@]34[C@@H](CC(=O)O)N3[C@]4(/C=C3\\[NH2+]/C(=C/[C@H]4N=C(O)[C@H](C)[C@]45SC5C)C(C)=C3CCC(O)O)N2)N=C1O"]
["82862877","C=C1N=C(O)C2NC3CC(C)C(C)CC3N(CCN3CCCC3CC(=O)O)C2N1"]
["7877367","CCN(CC)C(=O)CSc1nc(Cl)cc(N2CCN(C(O)=Nc3cccc(C)c3)[C@H](C)C2)n1"]
["179459142","CCCC(CCCCCC(=O)c1cc(C2=C(C)[C@H](C)C=C(C)N2)c(C)cc1C)c1ccn2cncc2c1"]
["51488783","C=CCN(C(=O)C1N([C@@H](CC)CO)C(=O)[C@@H]2[C@H](C(=O)OCC)[C@@H]3CCC12S3)C(C)(C)C"]
["198201123","CC1=C(CCC(=O)O)/C(=C/c2[nH]c(/C=C3\\N=C(O)[C@H](C)[C@H]3CCS)c(C)c2CCC(=O)O)[NH2+]/C1=C\\[C@H]1N=C(O)/C(=C2/CS2)C1C"]
["51008986","C=CCN(CCC)C(=O)[C@@H]1[C@H]2C(=O)N([C@@H](CO)Cc3ccccc3)C(C(=O)N(CC=C)C(C)CCC)C23S[C@@H]1CC3C"]
["150701278","Cc1ncsc1-c1ccc(CN=C(O)[C@@H]2C[C@@H](O)CN2C(=O)C(N=C(O)COCCCS(=O)(=O)CCN=C(O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]
["83045994","Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)C(C)C)c1nnc(C)n1-2"]
["175124573","C=C[C@@H]1C[C@]1(N=C(O)[C@@H]1C[C@@H](Oc2nc3ccccc3s2)CN1C(=O)[C@H](CCCCCC)Nc1ccc(F)c(F)c1)C(=O)O"]
["77593311","CCN(C(C)=O)c1nc(C=C(Cl)C2N=C(O)C3C(c4ccccc4)=C(C)SC3N2)cs1"]
["187531566","CCOC(=O)C1=C(CN2CC(F)(F)C3CN(C(C)C(=O)O)CC32)NC(c2nccs2)=N[C@H]1c1cccc(F)c1C"]
["75266965","O=S1(=O)O[SH](=O)(C(C2CC2)C2CC2)O1"]
["68841679","CC(CC(=O)O)CC(O)=NC(O)=NC1CCS(=O)(=O)CC1"]
["92506882","CCOc1cccc(C(NC)C(OC)C2CC2)c1"]
["173717496","[B]C([B])C1CO1"]
["156591785","CC[C@@H](C)CS(=O)(=O)N[C@@H](C)C1CCOCC1"]
["13051095","C[C@@H](O)[C@H]1CC[C@@H](C)CC1"]
["61978991","CC(Br)C1CCS(=O)(=O)CC1"]
["110966309","C[C@@H](NCl)C(O)C1CC1"]
["43321427","CCNC(CCOC)C1CCC(C)CC1"]
["148357064","CC(C(O)=NC(C)(C(=O)O)c1ccc(F)cc1)C1CC1"]
["185254652","O=S1(=O)OOS(=O)(=O)O1"]
["164548383","O=S1(=O)OCC[C@H]2O[C@H]21"]
["190416248","C=C(C)S[Se]CC.C=C(C)[Se]SCC.C=C(C)[Se][Se]CC"]
["65618725","C=C(C)[C@@H](CCC)NCC1CCCC(C(O)O)C1"]
["179843267","CCSc1cc(=C(N)N)c(SCC)cc1=C(N)N"]
["58832283","C=C(C)C(C)SC(C)CC"]
["162587555","C=C(Br)CSCCSCC"]
["197095145","C=N/C(=C\\C(=C)CC)CC.CC"]
["66060667","C=CCOC(=O)N1C[C@@H](SC(C)=O)C[C@@H]1C(=O)O"]
["190586660","C=C(C)C.C=CCC.CC(C)C"]
["168876366","C=CSCC/C=C/C(CC)CC(=C)C"]
["173166895","NS/C=C(\\N)CS"]
["179271774","C=C(NCC)C1(CC(C)C)CC1"]
["113640186","C=C(CSc1ncc(C)cn1)[B-](F)(F)F"]
["161182717","C1=CSSO1.c1cnoc1.c1cocn1"]
["175239243","N#N.c1cocn1"]
["175159338","CS(=O)(=O)F.c1cocn1"]
["31610419","COc1cc(Cc2c[nH]c(=N)[nH]c2=N)cc(OC)c1OC.c1cocn1"]
["159140230","C1=NCCO1.c1cocn1.c1conn1"]
["174574508","c1ccc2c(c1)sc1ccccc12.c1cocn1"]
["173773322","CC1(N)C=CSN=C1O"]
["175343709","c1cn[nH]c1.c1cocn1.c1cocn1"]
["43921509","c1cnoc1.c1cnsc1.c1cocn1"]
["193542653","C1CCNCC1.c1ncon1"]
["174640013","C1=CC=CCC=C1.c1cocn1"]
["58524428","O=CCCc1ccc(-c2ccccn2)s1"]
["161717342","CN1N2N(C)P3N(C)N1P(C)P(N2C)P3C"]
["94026237","CN(C)CCn1c(CCCl)nc2c(Cl)cccc21"]
["116887394","CC(CCO)N=C(O)c1cn(C)nc1-c1ccccc1"]
["197042088","Cn1ccc(=N[NH3+])c2ccccc21"]
["74991941","CN1C=C=C(c2ccccn2)[N]1"]
["172426703","CCN(CC)P1N(C)CCC(=N)N1C"]
["62963276","CN1CCN(C)P1N(C)CCN(C)P1N(C)CCN1C"]
["77025130","[C-]#[N+]C(C(=O)OCC)=C1C=C(C)N(CCCC)C(C2CCCCC2)=C1"]
["46734309","[C-]#[N+]/C(C(=O)OCC)=C1/C=C(C)N(CCCC)C(C2CCCCC2)=C1"]
["45249635","CN1N(C)P2N(C)NP1N(C)N2C"]
["161956775","CP1c2ccccc2[PH](=O)c2ccccc21"]
["113355094","Cn1nnc(Br)c1C(O)C1COc2ccccc2C1"]
["161817196","C1CS[Si]#SCCS1"]
["97425140","Cc1cc2c(cc1C)CSCCSCCSC2"]
["91586240","CC1(C(=O)O)CSCCSCCSC1"]
["163565502","CC(C)(C)N1CC(NC2CCSCC2)CC1=O"]
["97798696","C1CCC2SCCSCCSCCSCCSC2C1"]
["160083446","C1CNCCNC1.C1CSCCSC1"]
["33081689","c1cc2ccc1CSCCSCCSCCSC2"]
["91649600","C1CSCCSCCNCCNCCSCCSC1"]
["48752405","C[N+]1(c2ccccc2)CCSC1=O"]
["76862589","ClC(Cl)(Cl)C=CC1SCCCS1"]
["76054036","C1CSCSCCN1.Cl.Cl"]
["100238234","CC1(C)CCSC[Si]1"]
["183245340","[Mo].[O].[S-]SSSN1CCCC1"]
["73475838","CCCCCSN1CCCCC1"]
["162997189","CSC1CCCCN(C2CNC2)C1.Cl"]
["183245341","SSSSN1CCCC1"]
["66617151","C1CCN(ON2CCCCC2)CC1.c1cnnnc1"]
["157882771","C[C@H]1CCCCN(C2CNC2)C1"]
["174955014","F[B-](F)(F)F.[NH3+]N1CCCC1"]
["60510202","CC12CCCCN1CC1CNCC2C1"]
["191081150","CC.ON1CCCC1"]
["178074649","CCOP(=S)(OCC)SSN1CCCCC1"]
["184143040","N=S1(N)=NCC2CCCCN21"]
["107224157","C[C@H]1CNC[C@H](C)N1CC(=O)N1CCCC1"]
["195969811","[CH2-][N-]C(CC)C[Cl+]CC(C[Cl+]C)[N-][CH2-]"]
["91710551","C=C[Si](C)(C)O[C@@](C)(CC)[Si](C)(C)OC(CC)[Si](C)(C)C=C"]
["62840788","CCC(CN(C)C)[N-]C(C)(C)C.CCC(CN(C)C)[N-]C(C)(C)C.[Co+2]"]
["150102001","CCC(CC)CC1(C)CC1"]
["100856332","CCC([Se]C)[NH+](C)C"]
["172188578","CC(C)[N-]C(C)[N-]C(C)(C)C.CCC(CC(CC)[N-]C)[N-]C.[Co]"]
["177685428","CCCC(CC)CCNO"]
["185618012","CCC(CC)[N-]CCOC"]
["193596687","CCC(C)[NH3+].Cl"]
["74921343","CCC(C)c1cc(N=NC(Cl)Cl)cc(C(C)CC)c1O"]
["128568136","CCC(COC)N=C(O)CC(C)OC"]
["174372667","[CH2-]CC(CC)C1=CC=CC(=CC)[CH-]1.[CH3-].[K+]"]
["74290898","O=CN(C[O-])C1=NC(N(C=O)CO)N(C=O)C([NH+]=CO)=[NH+]1"]
["47592807","CCC(C)n1ccc(CC2CCC(=O)C2C)n1"]
["57481974","CCC1C(O)=NCCN1c1cncc(C(=O)O)n1"]
["67806130","O=CN(Cc1ccc(C(=O)O)cc1)C1CCCC1"]
["166213823","COC(=O)CC1SC(C(=O)OC)C(C(=O)OC)=C1[O-]"]
["175405453","CCC1N=C(Br)C=CN1O.O=CO"]
["7871257","CC(C)CN(CC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1[NH3+])CC(C)C"]
["32306022","CCC(=O)Oc1cc2c(s1)CCN(C(CC)C(O)=Nc1ncc(C=O)s1)C2"]
["188598337","CCCc1nnc(N2CC[C@@](O)(CC)[C@@H](O)C2)s1"]
["77661853","CC(C)c1ccc(C=CC(=O)C2C(O)=NC(=O)N(C)C2[O-])cc1"]
["190496730","CC(N(C)C)n1nnnc1SCCCC1=C(CC(=O)O)N2C(=O)[C@H](CO)[C@H]2S1"]
["111615846","COC(=O)C(C)=CCNCC1CCC(O)=N1"]
["191355589","CCCCC(CCCC)(CCCC)COCC(CPCF)CPCC(COCC(CCCC)(CCCC)CCCC)PCC(COCC(CCCC)(CCCC)CCCC)PC"]
["63185442","CCCCC(CC)COCC#N"]
["43806357","CCCCC(CC)(CCl)Cc1ccsc1"]
["58804695","CCCCC(CC)(CNCC)Cc1cc(Br)ccc1F"]
["166404175","CCCCC(CC)(CO)COCCC(CO)(CO)CCCC(O)C(CO)(CCOCC(CO)(CCC)CCCC)C(F)(F)F"]
["68285122","CCCCC(CC)(CNCC(C)C)CC(C)CC"]
["104491196","CC[C@@H](CO)COC[C@@](CC)(CO)COCC(CC)(CO)CO"]
["81886179","CCCCOC[C@@H](O)C(O)C(F)CO"]
["87519412","CCCNC1CC(OCC(F)F)C12CCCCC2"]
["86628988","CCCCC(CC)COCc1ccc(N)cc1C(F)(F)F"]
["176126538","O=C(O)CCCc1cn(C(COCC(CO)CO)(COCC(CO)CO)COCC(CO)CO)nn1"]
["109368758","CCCCC[C@](CC)(CCCC)CNC1CC1"]
["191390504","C[C@@H]1N=c2nccnc2=[N+]1C1=CC=CC(=C2C=C[NH+]=CN2C)N1C"]
["62049261","O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccc(O)cc2)C1=O"]
["149722203","COC1=CC=C(C2CC2COc2nc(C)ncc2C2=CC(=O)CC(C)C(C)N2C)C2C(C)C12"]
["172659376","Cc1ncn(C[C@H]2CN[C@H](C)CN2)c1C"]
["191188040","CC.CCc1ccc(N2C(O)=NC3c4c2ccnc4SC3C(O)=NC)cc1.[B]"]
["90674083","CC(=O)CC1[C]2C=CC=C2C2(c3ccccc3)OC1(c1ccccc1)c1ccccc12"]
["107512697","CN1CCc2nccnc2[C@H]1C(=O)O"]
["107034601","CCCC1=C(C(=O)OC)[C@H](c2ccccn2)N=C(S)N1C"]
["150316771","CC(=O)C1CCN(c2nccnc2OC(C)C)CC1"]
["195630199","CN1N=CC(OC2CCC(N3CCN(c4ncccn4)CC3)CC2)=NC1O"]
["158107632","O=C(O)[C@@H](F)[C@@H]1CCn2ccnc21"]
["MCULE-5837777996","Cc1scc(C(=O)N2C[C@H]3CN(C(=O)c4cnn(C)c4)C[C@H]3C2)c1C"]
["174063258","[B+]C1([B+])CCC([B+])([B+])c2cc3c(cc21)[b-](=C1[C-]=CC[CH-][CH-]1)c1cc2c4c(cc5[b-](=C6[CH-][CH-][CH-][CH-][CH-]6)c6cc7c(cc6n6c5c4c1n3[c-]6[O-])C([B+])([B+])CCC7([B+])[B+])C([B+])([B+])C2([B+])[B+]"]
["MCULE-7008725914","CC(C)n1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ccc21"]
["6842688","O=C(c1ccc2ccccc2c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1"]
["26001903","CN=C1SCC(O)(c2cc(S(=O)(=O)Cl)c(Cl)cc2Cl)N1C"]
["3386579","CC[NH+](CC)CCN1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)cc1)CC2"]
["15270028","COCCN1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2"]
["78047436","COc1cc(C=CC(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC"]
["15561302","Cc1ccc(F)c(S(=O)(=O)N=C([O-])[C@@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)c1"]
["27322204","CN1CCC(C#N)(c2ccccn2)CC1c1ccc2c[nH]cc2c1"]
["199320402","[B+]C1([B+])[C-]([O-])C(=[B+])[CH-][C@@]2(c3ccc(OC)c(OC)c3)CCN(C)C12"]
["17552350","COCCN1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2"]
["173978829","[B+]C1([C]2C=Cc3c(ccc4c5c(n(C)c34)=C(c3ccccc3)[N-]C=C5)=C2)CCCCC1"]
["191667186","FC(F)[SiH2]CC([SiH2]C(F)F)([Si](F)(F)F)[Si](F)(F)F"]
["78413230","CCCC(C)(CCC)C(C)F"]
["171928000","CCC[SiH2]C(F)F.N=C=O"]
["177437187","CC(CF)(NN)C(F)F.Cl"]
["197562862","CC(C)C(C)(C)c1nnc(S)n1CC(F)(F)F"]
["159371912","CC(C)(C)N1CCC[C@@H]1C(F)F"]
["62991985","FC(F)[Si](F)(F)CCl"]
["86379762","Cc1nc(N)cc(OCC(F)(F)C(F)F)n1"]
["78071784","O=S(=O)(Cl)NC(F)C(F)F"]
["78569566","FC(F)CC(F)CC(F)F"]
["162062490","FC(Cl)C(F)(F)SCCl"]
["162232141","FC(F)c1c(CBr)cnc(Br)c1Br"]
["172584750","NCC[Si-]=[O+][Si-]=[O+][Si](O)CCN"]
["171838498","CCC[Si-]=[O+]C(=O)C(C)=C(C)C"]
["182027751","CCC(=C(C)C)C(C)(CCN)[Si](CC)(CC)CC"]
["MCULE-8912347576","NCCCCc1cccc(CO)n1"]
["180518135","CC/C(=C/CN)[I-]CCN"]
["78083436","CC[C](C)CCN"]
["196368498","CS[O+]=[Si-]CCCCN"]
["149656131","C=C=C=C(C)CCCN"]
["180120353","C[O+]=[Si]=[O+][Si-]=[O+][Si]=[O+][Si-]=[O+]S[OH+][Si-][O+]=[Si-]CCCN"]
["85107276","CC(=CCCN)C1CCOCC1"]
["198134568","CC(CNCCN)C[Si](C)O"]
["99398561","CC(C)[O+]=[Si-]CC[Si-]=[O+]CCO"]
["78699156","CON([C@H](C=O)C(C)C)N([C@H](C=O)C(C)C)N([C@H](C=O)C(C)C)N([C@H](C=O)C(C)C)N([C@H](C=O)C(C)C)N([C@H](C=O)C(C)C)N([C@H](C=O)C(C)C)N(N[C@H](C=O)C(C)C)[C@H](C=O)C(C)C"]
["29803112","C/C(=C\\[C@H](C(C)C)N(C)C(=O)[C@@H](N=C(O)C1C[C@@H](O)CN1C)C(C)(C)C)C(=O)O"]
["179124157","COC(=O)C1(C(C)C=O)CCS(=O)(=O)CC1"]
["98205855","CNC(C1CCC(C)CC1)C(C=O)N(C(=O)O)C(C)(C)C"]
["111609483","COC(=O)c1ccc(C(C)Nc2ccc(F)c(C#N)c2)o1"]
["61505593","COC(=O)c1ccc(F)cc1NC(C)CC(C)(C)OC"]
["99142617","CN[C@@H](C=O)[C@@H](OC(=O)N(S)S)[C@H](O)[C@H](O)CO"]
["25485167","COC(=O)c1ccc(C=CC(N)CC(C)C)cc1"]
["179826213","C=NN[C@H](/C=C(\\C)C(=O)O)C(C)C"]
["179840090","C#CCC(C=O)CN[C@@H](C)c1ccc(F)cc1"]
["55514588","CO[C@@H]([C@@H](C)O)[C@@H](O)CC=O"]
["174767177","CC(=O)O.COC(=O)[C@@H](N)C(C)C"]
["99440275","Cl.[CH2+][C+](CCC([As]C)([As-]C)[As-]C)C(=O)O"]
["97141918","CC(C)N(C(=O)[C@](O)(CCc1ccccc1)[C@@](O)(CCc1ccccc1)C(=O)N(C(C)C)C(C)C)C(C)C"]
["52551027","Cc1cccc(CC(N)[C@@H](C(=O)O)C(=O)OC(C)(C)C)c1"]
["165261083","CNC(CC(C)(C)F)C(=O)O.Cl"]
["145713333","CCCCCC(N)(CCC)C(=O)O"]
["146907333","CC(CCc1ccccc1)CN[C@H](Cc1ccccc1)C(=O)O"]
["84628912","CC(C)(C#N)CCn1cc(C(=O)O)cc1Br"]
["182105733","CC(C)(C(=O)O)C(S)Cc1ccccc1"]
["52692219","Cl.O=C([O-])COc1ccccc1"]
["94375901","CCCC(C(=O)OCC)(C(=O)OCC)c1cccc(C)c1"]
["76808681","CCOC(=Cc1ccc(OC(C)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1)C(=O)O"]
["78636989","CCC(C)=O.Cl.Cl"]
["179843502","Fc1c#cc(NI)c(F)c1F"]
["139926769","CC(O)=NNc1cc(F)c(F)c(F)c1"]
["183533689","NNCCc1c(F)c(F)c(F)c(F)c1F"]
["176534491","INc1cnoc1"]
["162459552","CCNCc1c(F)ccc(I)c1F"]
["177481762","N#CCc1cc(NI)ccc1F"]
["103403356","CCN[C@@H](C#N)c1cccc(F)c1"]
["75872877","F[C]1C(F)=C(F)c2c(F)c(F)c3c4c(c(F)c(F)c1c24)C(F)=C=C3F"]
["184565896","COc1cccc(NI)c1F"]
["161675636","Fc1c(F)c(F)c(CB2N(c3c(F)c(F)c(F)c(F)c3F)B(Cc3c(F)c(F)c(F)c(F)c3F)N(c3c(F)c(F)c(F)c(F)c3F)B(Cc3c(F)c(F)c(F)c(F)c3F)N2c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"]
["75363119","FSc1c(F)c(F)c(I)c(F)c1F"]
["56396723","CNC1CCN(c2cc(F)c(F)c(F)c2)CC1"]
["195055296","CN1C(=[NH+]C2CCC([NH+]([O-])O)CC2)SSC1[NH2+]C1CCCCC1"]
["77443183","C=CCn1nc(C(=O)N2CCSCC2)c2c1CCC([NH2+]C1CCCCCCC1)C2"]
["7671033","Cc1ccc(C(=O)CCC(O)=[NH+]C2CCN(CCS(C)(=O)=O)CC2)cc1"]
["176205526","CN=C(N/C(O)=C\\CC1CCCCC1)C1CC1"]
["11525884","CS[C@@H](C)C(O)=[NH+]C1CCN(C)CC1"]
["24122613","COc1ccc(CCN2CC(N=C(O)C3CCCCC3)CC2=O)cc1"]
["5358692","C[C@H]([NH+]=C(O)C1CCCC1)C(=O)N1CCCN(C2CC2)CC1"]
["8550710","CCN(CC)[C@@H](C(O)=[NH+]C1CCCC1)c1ccc(Cl)cc1"]
["75381265","CN1/C(=N/NC(=O)C(=O)C(N=C(O)C2CCCCCC2)C2CCCCC2)SCC1(C)C.Cl"]
["139359929","Cc1nn(C)c(Cl)c1CC(=O)OC1CCCCC1"]
["105713384","C[C@H]1c2ccsc2CCN1CCNC1CCCCC1"]
["157140499","C[C@H](N=C(O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1)C1CCCCC1"]
["173381364","CC1B=C[CH-]C(C)[B+]1"]
["97117674","C[P+]1(C)C=C1"]
["150338356","CCC1C(C)CC1(C)C1=CC1"]
["195695206","C[C@H]1C=C[C@@H](Br)C1"]
["176055713","C[C@H]1CN=C(Cl)N=C1N(C)c1ccccc1"]
["61645380","COC1N=CC=N[C@H]1C"]
["26734807","CC1[C]C(C)SOC1"]
["193505915","CNC1N=CC(C)S1"]
["180087333","CC1C([XeH])C(C)C([XeH])C([XeH])C1[XeH]"]
["178920810","CC1C2N=C[C@H]12"]
["184607285","C[I-]C1([I-]I)C(C)CCC1C"]
["184470898","CC12CC=BC1C2"]
["198741629","BrC1=CCc2ncc3nc(C4CCCCC4)[nH]c3c21.C1=C(C2=CCc3ncc4nc(C5CCCCC5)[nH]c4c32)CCOC1.CC1(C)OB(C2=CCOCC2)OC1(C)C"]
["180601862","C#Cc1c(N2CCN(C#[O+])CC2)nc(C2CCCCC2)c2c1CCOC2"]
["62139294","CC(C)[C@H](C(O)=NC1CC(F)(F)C1)N1Cc2c(F)cnc3c2C(=CC3)C1=O"]
["65704196","N#Cc1ccc(-c2n[nH]c(C3CCCC3)n2)nc1"]
["81664448","C1=C(c2nccnc2OC2CCNC2)CCOC1"]
["155121221","CC[C@@]1(C)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1"]
["198283265","CC(C)/C(C=NCc1nc2cnc3ccccc3c2n1C1CCOCC1)=N/N"]
["MCULE-2645846731","CC(C)c1ccc(-c2c(C3CCC3)nn3c(Cl)c4c(nc23)CCOC4)cc1"]
["59891729","COc1cccc(F)c1-c1nc(-c2c(C)[nH]n3ccc(=O)cc23)sc1-c1ncn(C2CCCCO2)n1"]
["165730834","CC1(C)OB(c2cc(N3CCCCC3)c(Br)cn2)OC1(C)C"]
["176129784","O=S1(=O)C=CC(N=C(O)c2cc3sc(C4CCCCC4)cc3nc2O)C1"]
["120832233","c1cc2c(cc1-c1cnc(C3COCCN3)[nH]1)CCC2"]
["174988811","COC1NN(OC)N(OC)N(OC)C1OC"]
["104893618","CON1C(O)=NC[C@H]1C(C)C"]
["176089134","COC1CC1P(C)C"]
["181356069","CON1CC(N=[N+]=[N-])C1C"]
["179672944","COC1C=C(Cl)NC(C)(C)N1C"]
["173590595","[B+]C1([B+])NC([B+])([B+])C1Oc1c(F)[cH-][cH-][c-](F)[c-]1F"]
["175497137","COCC1NC1OC.Cl"]
["107286682","COc1ccc([C@@H]2CNCCN2C(C)C)cc1F"]
["185402135","COC1N=C(O)N(C(OC)C(OC)N2C(O)=NC(OC)C2OC)C1OC"]
["195308271","COC1[C-]=C(C)C(C)=[NH+]N1OC"]
["170012468","COC1CN(C(C)C)C(C)C1OC"]
["106975197","CO[C@@H]1CCCc2c1[nH][nH]c2=N"]
["100985762","C=CCCCCCCCCC1c2cc3cc(CS)c2OCOc2c1cc1c(c2CS)OCOc2c(cc4c(c2CS)OCOc2c(CS)cc5cc2C4(CCCCCCCCC=C)OCOC35CCCCCCCCC=C)C1CCCCCCCCC=C"]
["20409795","FC(F)(F)c1cccc(N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)c1"]
["33295378","CCCCCC1c2cc3c4cc2OCOc2cc5c(cc21)C(CCCCC)c1cc2c(c(C[n+]6ccn(-c7c(C(C)C)cccc7C(C)C)c6)c1OCO5)OCOc1cc(c(cc1C2CCCCC)C3CCCCC)OCO4.[Br-]"]
["179554382","C=C1CCC2C3C(CC[C@]12C)c1ccc(OC)cc1[C@@H](O)[C@H]3CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F"]
["199943927","C=CCCC1C2C(CCC1(C)C)c1ccc(OC(=O)CN3CCN(C)CC3)cc1C[C@H]2CCCCCCCCCSCCCC(F)(F)C(F)(F)F.CC"]
["101294562","C=CCCCCCCCCCOC(=O)CC1c2cc(c(OC)cc2OC)C(CC(=O)OCCCCCCCCCC=C)c2cc(c(OC)cc2OC)C(CC(=O)OCCCCCCCCCC=C)c2cc(c(OC)cc2OC)C(CC(=O)OCCCCCCCCCC=C)c2cc1c(OC)cc2OC"]
["11002864","O=C(NC1CC1)C(=O)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1"]
["77104769","C=CCCCCOC(=O)C1C2C(=O)N(C(CO)C(C)C)C(C(=O)N(CC=C)CCN3CCOCC3)C23CCC1(CC)O3"]
["137765609","C=CCCCC(=O)N1CC(c2ccccc2C)OCC1C"]
["113899444","C=CCCCCCNc1ccc(C)c(Cl)c1"]
["179735697","C=Cc1cc(F)c2c(c1)C1([O+]=C(c3cc(F)ccc3F)N(C)N1C(C)=O)C(CCO)CO2"]
["81614122","C=CCCCCCC(CC(=O)OC(C)(C)C)C(=O)N1CC2(CC(c3cccc(Cl)c3)=NO2)CC1C(=O)CC1(C(=O)OC)CC1C=C"]
["63355853","FC1=[C-]C(F)C(c2cccc(C3=C=CC(F)=[C-]C3F)[nH+]2)=C=C1.[Ir+3].[c-]1c(-c2ccccp2)cccc1-c1cccc[pH+]1"]
["64980858","FC1=CC(F)C(c2ccccn2)=C=C1.[Ir].[O-]C1(n2ccc(C(F)(F)F)n2)c2ccccc2-c2ccccc21"]
["158977343","FC1=[C-]C(F)C(OCc2ccccc2)=C=C1"]
["170521449","[Br-].[Ni+2].[c-]1c(C2=N[C@H](c3ccccc3)CO2)cccc1C1=N[C@H](c2ccccc2)CO1"]
["67270209","FC1=[C-]C(F)C(N2[C-]=CN(CCN3C=[C-]N(C4=C=CC(F)=[C-]C4F)C3)C2)=C=C1.[Pt+4]"]
["61060462","CC(=[N-])/C=C(/C)[NH-].FC1=[C-]C(F)C(c2nccc3ccccc23)=C=C1.[Ir+3]"]
["55923258","C=[O+]C([O-])=C1C=CC=CN1[CH2-].FC1=[C-]C(F)C(c2ccccn2)=C=C1.[Ir+3]"]
["57405118","FC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.FC1=[C-]C(F)C(c2ccccn2)=C=C1c1ccccn1.[Ir+3]"]
["175097356","COC[C@H]1O[C@@H](N2C=C3Sc4ccccc4N=C3N=C2O)C(F)[C@H]1OC"]
["174457129","C1=CC=C(c2ccccp2)NC=C1"]
["57166045","CC1=CC(=CN(C)C)N=N1.FC1=[C-]C(F)C(c2ccccn2)=C=C1.[Ir]"]
["183836313","[N-]=[N+]=Nc1nnccc1-c1ccccp1"]
["101521356","C1N[SiH2]O[SiH2]N[SiH2]O1"]
["173480361","C.CCC1CCOCC1"]
["161909642","C1CNCCOSCNCCN1"]
["66698080","CC[Si]1CNCCO1"]
["170450166","S=[PH]1CCOS1"]
["114789384","CCCC(C)C(NC)C1CSCCO1"]
["173410864","C1=[NH+]CCOS1"]
["78175157","C1CON[SiH2]C1"]
["26492078","CC1[N]CCOS1"]
["92051444","N=c1[nH]cc(C2(O)CCCOCC2)s1"]
["161764602","N=C1CCOS1"]
["112360803","Cl.FC1(F)CCNC12CCOCC2"]
["173670384","[B+]C1([B+])CC(F)(F)CC([B+])([B+])n2[n-][n-][n-][c-]21"]
["170767481","[B]C1([B])CN2CC(F)(F)CC2(CON)C1"]
["176152066","C/C=C(\\C)N1CC(F)(F)C1"]
["183560413","CC(F)(F)c1[nH+]c(CO)cn1CC1CCC(F)(F)CC1"]
["197440157","CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)O)CC(F)(F)C2)CC1"]
["159945378","CC1CN(C(O)=NC2CCC(F)(F)CC2)CC(C)O1"]
["166821869","CC1(F)CN(C(=O)C(C)(C)C)CC(F)(F)C1"]
["166532684","CC(C)(C)N=C(O)/C=C/CN1CCC(F)(F)CC1"]
["158193286","C[C@@H]1CC[C@@H](C)N1C(O)=NC1CCC(F)(F)CC1"]
["CSSS07051563336","O=C(CC1CC(O)C12CCC2)N1CC(F)(F)CC12CCC2"]
["197532571","CC(F)(F)C1(N)CC(F)(F)C1"]
["199101138","CCC1(N)CC(F)(F)C1.Cl"]
["173677727","[B]C(C)C([B])([B])C12C([B])([B])C([B])([B])C3([B])C([B])([B])C31C([B])([B])C2([B])[B]"]
["42248569","CC(C)NCC1(O)CCC(C(F)(F)F)CC1"]
["113691490","CCSCCC1(C(C)O)CC1"]
["173963791","[B]C(C)C(C)(C)CC(C)(C)C(C)C"]
["90204785","CC(C)c1nc(C2(N)CC2)c(Cl)o1"]
["111670841","CC(Cl)c1nnc(C(C(F)(F)F)C(F)(F)F)o1"]
["138481456","CCC(C)N(C)C(O)=NCC(CC)(CC)CC"]
["33309335","CC(C)[N+](C)(C(C)(C)C)C(C)(C)C.F[P-](F)(F)(F)(F)F"]
["181290279","CC(O)C(O)C(C)(O)N=[N+]=[N-]"]
["48265756","CC(Cl)c1cc(Cl)ccc1S(=O)(=O)c1ccc(Cl)cc1C(C)Cl"]
["100849423","CC(C)N(C(C)C)[PH2](N(C(C)C)C(C)C)C1([Si](C)(C)C)[PH2]=C1C(C)(C)C"]
["107517893","C[C@H](N)c1ccn2c1N(C)CCC2"]
["78347109","B[C@H]1C[C@@H](ON)[C@@H](CC[PH](C)(C)C[PH](C)(C)C[PH](C)(C)C)O1"]
["185917806","C=COCCCC1CC(CC)OC(OC=C)C1"]
["159228786","CCCC[C@@H]1OCC[C@@H]1C(=O)ON"]
["54600031","C=CC[C@@H]1O[C@H](C)[C@H](C)C[C@@H]1C"]
["195728673","CC1(CO)O[C@@H](N)CC1ON"]
["183252170","CC=COCCC1OC(F)C1F"]
["100985583","CC(C)(C)O[C@H]1CC2C3CC1(C)C1OC(C)(O3)OC21C"]
["150625402","CCc1ccc(O[C@H]2C[C@@H](N)C2)cc1"]
["46712720","CCO[C@@H]1C[C@H](O[Si](CC)(CC)CC)C[C@H](C)O1"]
["78362926","BC1CC(OP(=O)(O)OCCCOP(=O)(O)OCCCO)C(C(C)(C)C)O1"]
["78022082","CCOCC1OC(OCC(F)F)CC(OCC)C1OCC"]
["1637103","CCOC[C@@H]1O[C@H]1COCC"]
["179590990","C12C3C4C5C6[C@H]1C61C2[C@]34N51"]
["108943749","O=[N+]([O-])[C@]12[C@@H]3[C@@H]4[C@H]3N1[C@@H]42"]
["99141097","C1C2C3C2C12CN32"]
["110792030","C1COC2(O1)[C@@H]1C3C4C5C3[C@@H]3C1C([C@@H]42)[C@@H]5C31OCCO1"]
["108943622","NC12C3[C@H]4C5C(N41)N2[C@H]53"]
["155030173","NC12C3[C@@H]4C5[C@@H]3[C@H]1N5[C@H]42"]
["109396944","O[C@H]1[C@@H]2[C@@H]3[C@@H]4[C@@H]2[C@H]2[C@H]1[C@@H]3[C@H]4C21OCCO1"]
["151422384","Br[C@@H]1[C@H]2[C@@H]3[C@@H]4[C@H]1[C@H]1[C@H]2[C@H]3[C@H]4C12OCCO2"]
["148956847","COC(=O)C12C3C4C5C3C1C5(N)C42.Cl"]
["76255020","O=C1C2C3C(=O)C4C1C1C5C6C(C5C4C14OCCO4)C3C1(OCCO1)C26"]
["179207980","CC[C-]1CC[I+][C@@](C)(C(C)C)C1[O-]"]
["161845520","[C-]#[N+]C12C3C4C1C1([N+]#[C-])C4C3([N+]#[C-])C21"]
["67820509","[3H]P([B])C=CC=C(COO)OO.[Zn]"]
["91158395","COC(=O)CC=CC=C(CC(C)=O)OC(C)=O"]
["195268183","C/C=C\\C=C(/C)COC(O)=NN.CC"]
["175063630","C/C=C\\C=C(/CC)COC(=O)Cl"]
["74693403","CCC1CC2CC(C(C)(C)OC(=O)COO)CC2C1"]
["91047966","C=C(C)COc1ccccc1C=CC(=S)c1ccccc1"]
["91144316","CC(C)[Si](OCC(=CC=CO)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C"]
["82276043","C/C=C(\\C(=N)COO)[N+](=O)[O-]"]
["91145498","CCCCCCC=CC=C(CCCCCCCC(=O)O)OO"]
["162261613","COC(=CC=CCO)CO"]
["44616293","C=C(CC(=O)OC=C(CC(=O)O)OO)C(=O)O"]
["99557012","O=C(COO)OO.[NH3+][O-]"]
["172085268","CCC1C2CC(C(=O)N(C3CCC(OC4CCC([N+]5(C)C(=O)CC6C7CC(C8=NC9CC(C%10CCC%11N=C%12CC%13C(C)CC(C)C%13C(=O)N%12C%11C%10)CCC9N8C7=O)C6C5=O)CC4)CC3)C2=O)C1C"]
["77475271","CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(O)=NCC1C(O)=NC(C)CC1C"]
["42796151","Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@@H]4C3=O)CC2)cc1"]
["119282891","CCc1c(O)nc(=O)n(C2CCN(C)C(C)C2)c1O"]
["171748898","CC1CCC(C2(C3CCC(N4C(=O)C5CC(C)C(C6CC7C(=O)N(C)C(=O)C7CC6C)CC5C4=O)CC3)C3CCCCC3C3CCCCC32)CC1"]
["151219957","COc1cccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@@H]4C3=O)CC2)c1"]
["104321457","COc1ccc2[nH]c3c(=O)n(CCCC(O)=N[C@H]4CCC[C@@H](C)[C@@H]4C)c(S)nc3c2c1"]
["66594783","COC1CCC(N2C3N=C(O)NC([O-])=C3CC3CC(OC)C(=O)CC32)CC1"]
["177622237","COC[C@@H]1N=C(O)[C@H](C)N(Cc2ccc(Cl)cc2Oc2ccc(-c3cnc(CN(C)C)n3C)cc2)C(=O)C[C@@H](CC2CCCCC2)C(=O)N(C)[C@@H](C)CN=C(O)C[C@H](Cc2ccc(Cl)cc2)N(C)C1=O"]
["186283504","CC[C@@H]1[C@@H]2C=C[C@H]3[C@@H](C[C@H]4/C=C/C(O)=C5C(=O)[C@@H](CCCN=C(O)/C=C/C[C@@H]34)N=C5O)[C@H]2C[C@@H]1C"]
["100410520","CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](F)[C@@]1(C)O"]
["46261034","Cc1noc([C@H](CSCC2=C(C(=O)O)N3C(=O)[C@@H]4[C@H]3C2CCN4C(=O)O)N=C(O)OC(C)(C)C)n1"]
["189193474","BCCC/C(O)=C(O)\\C(O)=C(\\Br)C(=C)O"]
["176402587","C=C.C=C(Br)CCCCCC#CC1(CCCCC(=C)Br)OCCCO1.OCCCO"]
["145177285","C=C(CCCCCCCCCOC)C(=O)O"]
["79839681","BCCCSSCCN=C(O)OC(C)(C)C"]
["80448894","C=C(Br)CN1CC(C)N(CC(=C)Br)C(C)C1"]
["79165496","C=C(Br)CCCCCCC(=C)Br"]
["63783304","COC(=[NH2+])CCCCC(=[NH2+])OC"]
["91352313","C=CCC=CCC=CCC=CCC=CCCCC(=O)O"]
["93939207","C=C(Br)CN=C(O)CC(C)CC"]
["74355548","C=C(CCOc1c(Br)c(Br)c(Br)c(Br)c1Br)C(=O)O"]
["101240822","C=C(C)CC(CCC(Br)=C(CCCC)CCCC)(C(=O)OCC)C(=O)OCC"]
["91184996","C=C(O)C[Si](C)(C)C"]
["176522826","CSC[C@@H](C)C1C=CC([NH+](c2ccc3c4c2C=CC2C=CC(N(C5C=CC=CC5)C5CCC([Si-](C)C)CC5)C(C=C3)C42)C2C=CC=CC2)=CC1"]
["182090088","CCC(N=[N+]=[N-])C1C=CC=CC1"]
["161841806","C[C@H](N(C)N=O)[C@](O)(Cl)C1C=CC=CC1"]
["6204939","C[C@H](C[NH+]=C(O)[C@@H](C)n1c(=O)oc2ccccc21)N(C)C1CC1"]
["30968804","CC(C)CN=C(O)CCCCc1nnc(SCC(=O)C2C=CC=CC2)n1-c1cccc(O)c1"]
["81634470","CCC(C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(C(C)N(C)C3CCC(N(C)C)CC3)cc1)C2c1ccc(Cl)cc1"]
["180876054","CCCSC(=S)N(C)C1C=CC=CC1"]
["194675106","CC(CCCCCc1ccc(C(C)C2C=CC=CC2)c(C#N)c1)C1=CC(C(F)(F)F)N(C)c2c1cccc2C(F)(F)F"]
["5170964","C[C@H](CN=C(O)CC[NH2+]C(=O)c1ccc(F)cc1)N(C)C1CC1"]
["58762365","CC(C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1"]
["185815133","CO/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1C)C(CCN1CCC(NC2C=CC=CC2)CC1)c1ccc(C)c(C)c1"]
["184263176","CI1N=C(c2ccccc2)C(C2C=CC=CC2)=N/C1=C(/SCBr)c1ccccc1"]
["97394242","CN(C)CC1=CCCC1=[Ge-]1(O)O[Ge@@]2([C+]3CCC=C3CN(C)C)O[Ge@]3([C+]4CCC=C4CN(C)C)O[Ge@@](O)([C+]4CCC=C4CN(C)C)O[Ge-](=C4CCC=C4CN(C)C)(O3)O[Ge-](=C3CCC=C3CN(C)C)(O2)O1"]
["97489212","CN(C)CC1=CCC[C]1CNCCNc1ccnc2cc(Cl)ccc12"]
["179538379","CC(C)C1=CCCC(OCCN(C)CCO)=C1"]
["187868093","CSCCNc1cc(N2CCCc3cc(CN(C)C)c(C=O)nc32)ncc1C#N"]
["MCULE-2742501668","CN1CCCc2cc(C(=O)N3CCC(N(C)C(=O)CCn4cncn4)CC3)ccc21"]
["80702777","COc1ccc(CN(C(=O)c2cc3cc(C)ccc3o2)C2CCS(=O)(=O)C2)cc1"]
["MCULE-7211737452","CN(C)Cc1ccc(-c2ccc3c(c2)N(C(=O)c2ccc(N4CCOCC4)cc2)CCO3)cc1"]
["112632134","CCC1OCCC1CN=c1nc(C(N)=S)cc(C)[nH]1"]
["MCULE-8793934623","CN(C)Cc1ccc(-c2ccc(NC(=O)Cc3ccc4c(c3)CCO4)cc2)cc1"]
["129788072","CN(C)Cc1cc(CN=C(O)NCC2(C)COC2)ccc1F"]
["65296930","CN(C)Cc1ccc(COc2cc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c3c2)cc1.Cl.Cl"]
["78762457","CN(C)Cc1c[nH]c2cccc(CN(CC3CCC3)C(=O)c3cc(Cl)n[nH]3)c12"]
["168144521","[B+]=[O+][C-]1[N-]c2ccccc2[CH-]Nc2ccc(Cl)cc2C([O+]=[B+])[N-]c2ccccc2CNc2ccc(Cl)cc21"]
["91678523","O=C1Nc2ccc(Cl)cc2CC1=Cc1ccccc1Cl"]
["60436173","COC(=O)CC1SC2=N[C@H]3c4ccccc4CC[C@@H]3N2C1(O)c1ccc(Cl)cc1"]
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["174118387","[B+]=C1C(=[B+])[C-]([n+]2c(-c3cccc(-c4c5ccccc5c(-c5cccc(C6=[C-][N-]CC=[C-]6)c5)c5ccccc45)c3)[n-]c3ccccc32)C(=[B+])C(C)C1=[B+]"]
["174112618","[B+]=c1c(=[B+])c(=[B+])c2c(oc3c(=[B+])c(=[B+])c(=[B+])c(=C4[N-][C-](c5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5)[N-][C-](c5ccc6ccc(C7=[C-]CCC=[C-]7)cc6c5)[N-]4)c32)c1=[B+]"]
["173964867","[B+]=C1C(=[B+])C(=[B+])C(c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-[c-]6nc(-c7ccccc7-c7ccccc7)[n-][c-](C7C=CC=[C-]C7)[n-]6)c5c43)c2)C(=[B+])C1=[B+]"]
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["12345371","CCN(CC(O)=NC(C)C)C(=O)CCn1cc(C)cn1"]
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["125635764","Cc1nn(C)cc1C(C)N=C(O)N(CCc1nccs1)C(C)C"]
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["MCULE-7343927843","CCOC(=O)C1CCCN(C(=O)C(N=C(O)C(c2ccc(Cl)c(Cl)c2)C(C)C)C(C)C)C1"]
["67962556","Cc1cnc2c(c1)[N-]CN2C1=C=CC=C=C1.[CH3-].[Y+3]"]
["124171492","C=CCC(C)N=C(O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1"]
["173536366","[CH+]=C1Sc2c(c(=c3cc4sc(=C5C=C=C(C(C)(C)C)C6=NC=C[N-]C65)cc4s3)c3nsnc3c2=c2cc3sc(=C4C=CC(C(C)(C)C)=C5N=CC=N[C-]54)cc3s2)S1.[U].[U]"]
["151166117","CC(C)(C)c1cc2c(cc1N=C(O)[C@H]1C=Nc3ccccc3C1=O)OC(=O)C2(C)C"]
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["50080513","COCc1c(C(=O)NCc2ccc(-c3csc(C)n3)s2)sc2cccc(F)c12"]
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["199150846","CC(C)(C)c1ccc2nc(N=C(O)C3CC3)sc2n1"]
["184139452","CCCCC(CC)Cc1c(CC(CC)CCCC)c2cc(-c3c4c(c(C(C)(C)C)c5nsnc35)N=S=N4)sc2c2c1=CC(C(C)(C)C)=S=2"]
["198452092","CCCCCCn1c2cc(CC(CC)CCCC)sc2c2sc3cc(-c4ccc(-c5cc6sc7c8sc(CC(CC)CCCC)cc8n(CCCCCC)c7c6s5)c5nsnc45)sc3c21"]
["6896630","COc1ccc2c(c1)CC[C@H]1C2=NN[C@H]1C(O)=Nc1cccc2nsnc12"]
["198198394","Cc1cccc(C)c1B1c2cccc3c4c([n+]([c-]23)=C2[N-]C=CC(C(C)(C)C)=C2N1C)=C=CC=C4.[Ir]"]
["172069014","C=CSC1C=C=C(c2nccc3oc4cc5c(cc4c23)S[C-](C)C5=CC(C)C)C=C1C(C)(C)C.CCC(C)(CC)C(=O)/C=C(\\O)C(C)(CC)CC.[Ir]"]
["172085455","CC(C)C=C1C=C[N-]C(C2=C=C3C=NC=CC3C(C(C)(C)C)=C2)=C1.CCC(C)(CC)C(=O)/C=C(\\O)C(C)(CC)CC.[Ir]"]
["167308687","Cl[C@@]12C3=C4[C@@]5(c6ccccc6)C6C7C=CC8C9CCC%10C(=C9[C@@]3(c3ccccc3)C86)[C@]1(c1ccccc1)C1=C3C(CCC1%10)C1C=CC6C8C=CC7C5C8[C@@]5(c7ccccc7)C6C1[C@]3(c1ccccc1)[C@@]21N[C@]451"]
["78003826","ON=CC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl"]
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["47780411","CCCN1CC(C)(c2ccccc2)NCCC1C"]
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["104064606","C[C@@H]1[C@H](O)C(c2ccccc2)(c2ccccc2)[C@H](C)CN1C"]
["91347613","CCCCN1CC2CCCC(C1)C2(c1ccccc1)c1ccccc1"]
["104059493","O=C1N=C(O)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2C1(c1ccccc1)c1ccccc1"]
["95217224","CC(CNC(C)(C)C)NCC1(c2ccccc2)CC1"]
["126424194","COc1ccc(CN=C(O)N2CCC(c3ccccc3)C(C)C2)c(OC)c1OC"]
["175367164","Cl.O=C(OC1(c2ccccc2)CCOCC1)C1CCNC1"]
["168571453","C=c1nc(C)c(=C(N)OC(=O)/C=C/C2=CC(=[O+]CC3=NC(=CC)C(C)=[N+]=C3C)C(=[O+]Cc3nc(C)c(C)nc3C)C=C2)nc1C"]
["59011074","CCOC(=O)/C=C/c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1NC(=NC(C)C)Nc1ccccc1"]
["34492776","CCOC(=O)/C=C/c1cc2ccc(OC)cc2c2cc(OC)c(OC)cc12"]
["58289524","Cc1ccc(-c2c(CN)c(CC(C)(C)C)nc(C)c2C(=O)OCc2oc(=O)oc2C)cc1.Cl.Cl"]
["82676006","CCOC(=O)C=Cc1c(COC)nn2c(CC)ccc2c1-c1cncc(C)c1"]
["169759274","Cc1nc(C)c(COC(=O)CCCCC(=O)Oc2ccccn2)nc1C"]
["83402344","CCOC(=O)CN=C(O)CSC1=NC(=O)C2C=CC=CC2=N1"]
["MCULE-8144455922","CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(O)=Nc1ncc(-c2ccc(C(C(=O)O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)c1ccccc1"]
["69764542","CCOC(=O)c1c(C)nc(C)c2c1C1C=CC=CC1=NC2=O"]
["198438987","C=CC(=O)N1CCC(c2nc3c(=Nc4ccc([O+]=C5C=CC6C(=C5)N=CN6C)c(C)c4)[nH]cnc3cc2OC)CC1"]
["170344853","COc1cc(C2NC(O)=NC(C)=C2C(=O)O)cc(Cl)c1OC(=O)C=Cc1ccccc1"]
["MCULE-2605035475","CCCN(CCC)C(=O)COc1c(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)cc1OC"]
["178167069","CCC/C=C(\\CC(C[OH2+])CCCC(O)OCC(C[O-])(COCC(C[O-])(COC(C1CC1)C1CC=C(C(O)OI)C(C)(CCC(I)OCC(COC(O)C(C)C)OCC)C1CC)C[I+]C(O)C(CCCCC)CC1CCCC1)COC(O)C1CC2=CC(C)(CC2)C1)C(O)OCC(C)COC(O)C(C)C"]
["42963095","CCCCCCCC/C=C\\CCCCCCCCOCC(CN1CCCCC1)OCCOC(=O)COCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@@H](C)CCCC(C)C)CC[C@@H]32)C1"]
["199857564","CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@]1(C#N)O[C@@H](c2ccc3c(N)ncnn23)[C@@H]2OC(C)(C)O[C@@H]21)Oc1cccc(C#N)n1"]
["156095006","CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O"]
["179895471","C=CCNC(=O)C(=O)C(CCCC)N=C(O)[C@@H]1[C@@H](C(C)C)CCN1C(=O)[C@@H](NC(O)=N[C@H](COC(O)=NCC1CC1)C(C)(C)C)C1(C)CCCCC1"]
["149801529","COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(O)=NS(=O)(=O)C6CC6)C[C@H]5/C=C\\CCCCC[C@H](Nc5cccc(F)c5)C(=O)N4C3)nc(-c3nc(C(C)C)cs3)cc2c1C"]
["153611436","CCC/C=C1\\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C[C@@H](CO)C1CCCC1)OC2=O"]
["64795129","CCCCC/C=C\\C/C=C\\CCCCCCCCOCC(CN1CCCCC1)OCCOCCO[C@H]1CC[C@@]2(C)C(=CCC3C4CC[C@H]([CH]CCCC(C)C)C4CCC32)C1"]
["32728442","CCCCCCCCCC[C@H](C)[C@@H](OCc1ccc(OC)cc1)[C@@H](C)/C=C(C)/C=C(\\C)[C@H](O)[C@H](C)/C=C(\\C)[C@H](O)C[C@H](COCc1ccc(OC)cc1)[C@@H](OCc1ccc(OC)cc1)[C@@H](CO)OCc1ccc(OC)cc1"]
["195029000","CCCNCc1cc2cc(c1)C1NCC(C)(O)C(CC=O)C#CC(C3(O)CCCCC3)CC3CC(C4CCNC(NC)C4)(CC=C4OC(=O)C5=C4CCC4C6CCC7(C(=CC(CCO)Cc8ccccc8)OC(=O)C7=C6c6cc(O)ccc6-c6cccc(c6)CNCC2)C54)CC31"]
["74149671","C=C[C@@]1(C(O)=NS(=O)(=O)N(CC)CC)C[C@H]1N=C(O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](N=C(O)[C@@H](N=C(O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1"]
["70086373","C=CCc1c(OC)cccc1C(C)C#CCCC(CCCCC)OC1CCCCO1"]
["57838957","[Br-].[Br-].[F+]=C1C(CS[C+]2[N-]CCN2)=CC=C[C+]1CS[C+]1[N-]CCN1"]
["49695210","C1=C2CNCCNCCNCC3=CC=c4ccc(c(c4[N-]3)[N-]2)=C1.[Br-].[Hg+2]"]
["97445980","CN(C)CC1=CC=C[C+](CN(C)C)C1=[Te]"]
["42211966","C1=CCC2CNCCOC2=C1"]
["173122349","C.[C-]1=N[C-]2NCCC=C2C=C1.[Y]"]
["53374381","CSCC[C@H](N=C(O)c1cc(NC[C@@H]2NCC[C@@H]2SC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Cc1ccccc1)C(=O)O"]
["177482067","O[C@@H]1CN[C@H](COc2c(I)ccnc2F)C1"]
["90093758","c1nc(C2CCNCC2)oc1C1CC1"]
["79389990","CCC1=CC=C[C+](CC)C1=[N-].CCc1ncccn1.[Ni]"]
["88165973","CC(C)c1ccnc(CC2CCCN2)n1"]
["107748151","CC(C)c1ccnc(C[C@@H]2CCCN2)n1"]
["94280973","CCCC(CC)N=c1cc(C(F)(F)F)[nH]c(=NCC)[nH]1"]
["178098979","CCC=CCC1C(C)C23C4(C)C1(C)C1(C)C(C)(CCC)C5C6(C)C(C)(C)C7(C)C8(C)C(C)C(C)(C)C4(C)C82C67C513"]
["65861205","CCC=CCC1C(CCCCCC)C=CC(CCCCCCCC(=O)O)C1CC(=O)O"]
["153048498","CC/C=C\\C=C(/C)c1cc(C2=CCC(C)C=C2)ccc1CCC"]
["178541539","CC1C2C3(C)C(C)(C)C4(C)C5(C)C6(C)C7(C)C(C)(C)C8(C)C9C%10%11C%12CCCC%13C%14C%15C(C%10C%12)C%11%10C%15%11C%14%12C1%13C24C%121C35C62C87C9%10C%1112"]
["34578298","CC/C=C\\C[C@H]1[C@@H](CCCCCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1O[Si](CC)(CC)CC"]
["78205357","CC/C=C/[C@H]1CC=C[C@@H]1C/C=C/C/C=C/C(=O)O"]
["111828290","CCCC1NC(CC)N(CC(C)(C)CC)C1=O"]
["196617803","CCC/C=C/CB1OC(=O)C(C)(C)N(C)C(C)(C)C(=O)O1"]
["25117836","CCCC1(C)CC(OC(=O)c2ccc(C(C)(C)C)cc2)C(CC)C(C)(CCC)N1"]
["178385546","CCCC1(C)C2C(C)C3C(CC)C4(C)C(C)(C(C)C)C3(C)C3(C)CC1(C2CC)C34C"]
["27400040","CCC1CN(c2ccc(N=c3c(C)c(C)[nH]c4ccccc34)cc2)CC(C)(C)N1C"]
["184511089","CCCC1(C)C2C3CC(CC)C4(C)C(C)C5C6C7C8C2C(C)(C31C)C8(C)C7(C)C6(C)C54C"]
["58335912","O=C1C=Cc2nc(=c3ccc(=C4C=CC(I)=NN4)cc3)sc2=C1"]
["112884872","CC(NS(=O)(=O)c1csc(CO)c1)C(C)(C)C"]
["180737879","CCCC(I)c1nc(N2COC3=C(C2)C2=C([N+](=O)[O-])[C@H]2C=C3I)sc1-n1cncn1"]
["184221835","OC1=C/[I-]NCN=C(I)/C=C\\1"]
["162295793","CC1=CC(=O)C=CC1=C1NC=CN1C"]
["120753782","CC(C)(C)N1C(S)=NN/C1=C1\\C=CC(=O)C(Cl)=C1"]
["50262424","O=C1C=CC(=CC=C2Nc3c(ccc4ccccc34)S2)C=C1"]
["82433653","CC(F)CC(C)(CN=C1N=CC(=C2C=C(C(=N)O)C=CC2=O)N=N1)c1ncccc1F"]
["195510787","CC(C)c1ccn(-c2ccc(S)s2)c(=O)n1"]
["62686843","CC1=CC(=O)C=CC1=C1NN=C(N(C)C(c2ccccc2)C(C)C)c2ccccc21"]
["109210019","CC(C)(C)C(=O)/C=c1/nc(O)/c(=C\\c2cc3ccccc3o2)s1"]
["171312225","O=C1C=Cc2cc3c(cc2=C1)C=C(S(=O)(=O)[O-])C(=O)C=3S(=O)(=O)[O-].[K+].[K+]"]
["76984708","O=C1N=c2[nH]c(=O)n(-n3c(=O)c4c(n(SS)c3=O)=NC(=O)N=4)c(=O)c2=N1"]
["161882227","O=C1C=C2NCC(=O)C2=NC1"]
["199694278","CC(=O)SCC1CC(=O)N(c2c(C)n[nH]c2C)C1"]
["27149130","O=c1c2nc(N3CCOCC3)[nH]c2n(CC2CC2)c(=O)n1CC1CC1"]
["199694694","CC(=O)SCC1CC(=O)N(c2c(C)[nH][nH]c2=N)C1"]
["43468637","CCSC(C)C1(CC)C(O)=NC(=O)N=C1O"]
["62948100","CCCc1nc2c(=O)n(C)c(=S)n(C)c2[nH]1"]
["82000434","Cn1c(=O)c2c(n(C)c1=O)=NC(=[N+](C)C1CNC1)N=2"]
["8512735","Cn1c(=O)c2nc(Sc3nc(N)cc(=N)[nH]3)n(C)c2n(C)c1=O"]
["162150191","Cc1nc2c(=O)n(N)c(=N)n(C)c2[nH]1"]
["196452713","COc1cc(-c2nc3cc(F)c(OC)cc3c(=O)n2OC)ccc1F"]
["151772523","COc1ccc(Cl)cc1N=C(O)[C@@H]1CCCN(S(=O)(=O)[C@H]2C(C)=NC(=O)N=C2O)C1"]
["170627179","C=C[Si](C)(O)OB(O)O[Si](C)(C=C)OB(O)OB(O)OB(O[Si](C)(O)C=C)O[Si](C)(C=C)OC.C=C[Si](C)O[Si](C)(C=C)O[Si](C)(O)C=C"]
["99841056","CO[Si](O[Si](O)(O)O)(O[Si](O)(O)O)O[Si](O[Si](C)=[OH+])(O[Si-](C)O)[O+]=[Si-]C"]
["79321169","C=C[Si](C)(OCCCCCCCCCCCC)OCCCCCCCCCCCC"]
["100517136","C=C[Si](C)(OCCCCCCCCCCCCCCCC)O[Si](C)(C=C)OC(CCC)CCCC"]
["MCULE-8593712137","C=CCN1CC(C(=O)OCc2ccnn2C)CC1=O"]
["100499438","C=C[Si](C)(OCCC)O[Si](C)(C=C)OCCCCCCCCCCCC"]
["56022407","C=C[Si](C)(C)O[Si](OC)(O[Si]#CC)O[Si@](O)(OC)O[Si](O[Si]#CC)(O[Si](C)(C)C=C)O[Si](O)(OC)OC"]
["191516207","C.C.C=C[Si](C)(OC)OCC"]
["69898083","C=C[Si](C)(C)O[Si](OC)(O[Si]#CC)O[Si](O)(OC)O[Si](O[Si]#CC)(O[Si](C)(C)C=C)O[Si](O)(OC)OC"]
["60375702","C=CN([Si](C)C=C)[Si](C)(C=C)C=C"]
["100515251","C=C[Si](C)(OCCCCCCCCC)OCC(CC)CCCC"]
["100499582","C=C[Si](C)(OCCC)O[Si](C)(C=C)OCCCCC"]
["74877803","Nc1cc2ccc3cc(C(O)(C(F)(F)F)C(F)(F)F)c(N)c(C(O)(C(F)(F)F)C(F)(F)F)c3c2cc1C(O)(C(F)(F)F)C(F)(F)F"]
["46282688","C#CC(O)Cc1ccc(-c2ccc3cc(C)cc(F)c3c2)nc1"]
["149939699","CC1(C)N=C(O)N(c2ccc(N)c(C(F)(F)F)c2)C1=N"]
["91494381","CN(C)CCc1cc2ccc3cccc4ccc(c1)c2c34"]
["26195393","COc1ccc2c(O)c(C(C)C)ccc2c1"]
["61197621","CC(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)O)sc2n1"]
["187988517","Cc1cc(N)c(C(C)(C)C)cc1C(C)C(C)C"]
["171312451","N[C@H](c1ccc(Cl)cc1C(F)(F)F)C(F)(F)C(F)(F)F"]
["197683849","Oc1nc2ccc([B-](F)(F)F)cc2o1.[K+]"]
["27661579","CCOC(=O)c1cc2ccc(CC(=O)OC(F)F)cc2s1"]
["75479875","CC(C)N=C(O)Nc1ccc(CCOS(=O)(=O)O)c(N)c1Br"]
["1614750","CN(C)C(C)(C)C[NH2+]C(=O)c1cc2c(F)cccc2[nH]1"]
["174396796","[B+]=c1cc2[nH]c3[cH-][cH-]c(=[B+])c(=[B+])c=3[c-]-2[n-]c1=[B+]"]
["173814460","[B+]=c1cc2n(C)c3cc(=[B+])c(=[B+])[cH-][c-]-3[c-]-2[cH-]c1=[B+]"]
["176559779","[B+]=C1C(=[B+])C(=[B+])[C-](c2cc3c([cH-][cH-]2)[nH]c2[cH-][cH-]c(Br)cc23)C(=[B+])C1=[B+]"]
["187128841","CC.[B+]=C1[CH-]C2=C=CC=C(OC)C2CCC1"]
["79383429","Cl.c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)CC5)[nH]4)CC3"]
["175421186","[B+]=C1C=C=C(c2ccc(-c3ccc(F)cc3)c(F)c2)[C-](F)C1"]
["44608516","C1=CC(=CC=C2NNc3ccccc32)C=N1"]
["145704482","[B+]=c1c(=[B+])c2c1[cH-][cH-][c-]1c(=[B+])c(=[B+])[c-]21"]
["155256454","CC(C)Oc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Br"]
["176498289","[B+]=C1[CH-][CH-]C(=[B+])c2[nH]c(C)cc21"]
["175115870","[B+]=C1[CH-]C(=Nc2ccc3c(c2)OC(F)(F)O3)NN1"]
["79270963","[B+]=C1CC=C[CH-]C1=C=C"]
["CSSS14929150046","c1cc(CCN=c2nc3cn[nH]c3c[nH]2)c2[nH]ncc2c1"]
["14722129","C[C@@H](CC(O)=NCc1cccc2cccnc12)c1ccc(F)cc1"]
["114383994","Nc1cc2cn[nH]c2cc1N1CC(O)C(O)C1"]
["25435012","NCCc1cccc2cc(O)cc(O)c12"]
["MCULE-9541831043","CC(C)c1ccccc1N=c1[nH]c(N2CCC(Cc3ccccc3)CC2)nc(=NCCc2ccccc2)[nH]1"]
["33827036","C=Cc1ccccc1CCC(=C)Br"]
["51347593","CCCN=c1ncc(S(=O)(=O)N=c2cc[nH]cc2C)c[nH]1"]
["68976313","CN1CCCC1C1CCCN1C(=O)c1cccc2[nH]ncc12"]
["27970002","CCCCN=c1nc2c(c[nH]1)c(-c1ccc(S(=O)(=O)Nc3ccc(C)cc3)cc1)nn2C1CCC(O)CC1"]
["MCULE-2248082962","CC(C)CC(N=C(O)c1ccc2nc(-c3ccccc3O)[nH]c2c1)C(O)=NCCc1ccccc1"]
["118040520","CCN=C(NCCc1nc2ccccc2[nH]1)N(C)Cc1ccccc1C.I"]
["141553361","Cc1cccc2nc(CCC(O)=NC(C)(CO)CO)[nH]c12"]
["172729201","O[Si]1(c2ccccc2)[Si]#[Si][Si]#[Si][Si]=[Si](c2ccccc2)[Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)[Si]1(c1ccccc1)c1ccccc1"]
["90646890","COC(=O)N1C2C=CC1C(C(O)c1ccccc1)C(=O)C2c1ccccc1"]
["47080944","CC(=O)C1=C(C)C(C)=CP1(=S)c1ccccc1"]
["58055353","O=C(O)N(C(=O)N=C([O-])c1ccc(Cl)cc1)c1ccccc1"]
["58239487","OC(CN=C(O)c1cn(-c2ccccc2)nc1-c1ccccc1)=NCC(F)(F)F"]
["34101793","C[C@H]1C=CC[Si@](c2ccccc2)([Si](C)(C)C)[C@@H]1c1ccccc1"]
["92768969","Cc1cc(C(N)=S)ccc1CN(C)CCc1ccccc1"]
["84079999","CC(C)=C[Se](=O)c1ccccc1"]
["69969268","CCn1cc(O)c(=O)cc1COC(=O)[C@@H](N)Cc1ccccc1.Cl"]
["101172137","O=C1OC[C@H]2[C@H](c3ccccc3)[C@@]12[N+](=O)O"]
["171564404","O=C1N=C(O)C(Cc2ccccc2)=C1F"]
["33252091","C=C([Se]c1ccccc1)C1(c2ccccc2)C(=O)C(=O)N(C)c2ccccc21"]
["96898510","N#CC1=[N+]=[O+][B-](F)(F)O/N=C(C#N)/C(C#N)=N\\O[B-](F)(F)O/N=C/1C#N"]
["101042558","F[B-]1(F)O/N=C\\c2ccc(nn2)C=[N+]=[O+][B-](F)(F)O/N=C\\c2ccc(nn2)/C=N\\O1"]
["87041120","N#Cc1cc(N)cnc1Oc1cc(F)ccc1Br"]
["88591567","N#CC(Br)c1ccc(F)c(F)c1"]
["173292034","N#CC1=C=NN[C]1N.[Al]"]
["74672039","N#Cc1cc(N)cc(F)c1Br"]
["15062276","CC1=C2[C@@H](c3cccc(Br)c3)C(C#N)=C(N)O[C@@H]2N=N1"]
["59780445","COc1ccc(COc2ccc(Br)cc2F)cc1C#N"]
["169039744","N#CC1=COC(N)=C(C#N)C1c1cc(Br)cc(OC(F)(F)F)c1"]
["113419670","N#CC1=NN=C/C1=C1/N=C(C(F)(F)F)NO1"]
["MCULE-5030684639","N#Cc1ccnn1Cc1cc(Br)ccc1F"]
["175636779","CN1N=C(C#N)C(OS)=C=C1[O].[Al]"]
["171743913","CSC1COC(C#C/C=C/C2CCC(S(F)=C(F)F)CC2)OC1"]
["74613218","N#C/C(F)=C/C=C/C1CCC([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1"]
["73486473","CCCCC[C@H]1CC[C@H](/C=C/C2CCC(C=C(F)C#N)CC2)CC1"]
["179155252","C=S(C(C)C)C1CCC(O)CC1"]
["79765964","CCCCCc1ccc(/C=C/C#C/C=C/C2CCC(CCC)CC2)cc1"]
["MCULE-5125565796","Cc1cccc(N=C(O)C=CC2CC2)n1"]
["195272212","CCC.CSC1CC[C@H](C(=O)N2CCc3ccccc3[C@@H]2C)OC1"]
["64518557","CCCc1ccc(C2CCC(C3CCC(/C=C/C#N)CC3)CC2)cc1"]
["104869273","CC(=O)/C=C1\\CC[C@@H](C)O1"]
["112774728","CSC1CCC(Nc2cc(O)ncn2)C1"]
["95066420","CSC1CCC(NC2CCC(C)CC2)C1"]
["82175228","CSC1CNC2C(O)COC12"]
["179630973","NS(=O)(=O)C1CCC2S[N+]3(SC4CCC(S(=O)O)CC4S3)SC2C1"]
["184989465","CN(C)CCN1CCC(S(N)(=O)=O)CC1"]
["199745466","NS(=O)(=O)C1CC(=O)N(CCc2cncs2)C1"]
["75306375","CS(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](O)C2"]
["66829178","O=S(=O)(N=C(O)[C@H]1C[C@H]1C1CC1)C1CC1"]
["157913328","N[C@@H]1CC[C@@H](NS(N)(=O)=O)C1"]
["153286876","NS(=O)(=O)c1cc2c(s1)[C@@H](O)CC[S@@]2=O"]
["178446962","CC1=NC2CCC(S(=O)O)C=C2S1"]
["173340353","NS(=O)(=O)C1CC1.[H-].[Na+]"]
["52918382","N=C(N)CNS(=O)(=O)C1CC1"]
["94822496","N=C(N)c1c[nH]nc1NS(=O)(=O)C1CCOCC1"]
["158707800","NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1"]
["22620602","Clc1c(Cl)c(Cl)c(NC/C=N\\Cc2ccc(/C=N/CCNc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)cc2)c(Cl)c1Cl"]
["115714797","N#C/C(=C/NCCc1cccc(F)c1)C(O)=Nc1cccc(Cl)c1Cl"]
["199604826","CCN(CC)Cc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1"]
["18968416","Cc1ccc([C@H](CNC(O)=NCc2ccc(Cl)nc2)N(C)C)cc1"]
["47382131","OC(=NC1CC1)C(Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)c1ccccc1"]
["118633048","CN=C(NCCc1ccc(S(N)(=O)=O)cc1)NCCc1ccccc1Cl"]
["171115368","C=CCCCc1ccc(C=Nc2ccc(-c3ccc(C)cc3)cc2)cc1"]
["25260672","CCCCCCCCCCCCCCN=Cc1ccc(OCc2cccc(F)c2)cc1"]
["114908737","CCNC(Cc1ccc(C)cc1)c1ccc(Cl)cc1C"]
["165019194","COc1ccc(S(=O)(=O)N(CC(O)=NN=Cc2ccc(OCC(O)=NCc3ccccc3)cc2)Cc2ccccc2)cc1OC"]
["115311492","CC(NCCc1ccc(O)cc1)c1cccc(Cl)c1Cl"]
["15243559","CO/N=C/c1ccc(C(=O)N2CCCN(Cc3ccc(C#[NH+])cc3)CC2)cc1"]
["181890584","[N-]=[N+]=NOc1nc(Oc2nc(Oc3nn[nH]c3Oc3ncc[nH]3)c(Oc3n[nH]cc3Oc3ccc[nH]3)s2)c(Oc2nn[nH]n2)o1"]
["170998124","CCCc1nc(C)c(Cc2ccc(C(=O)O)cc2)c(OCc2ccc3oc(-c4ccc(-c5nn[nH]n5)cc4)c(Br)c3c2)n1"]
["183144187","[N-]=[N+]=NOc1[nH]c(=NCc2[nH]nc3ncccc23)c(Cl)cc1F"]
["181843968","[N-]=[N+]=NOc1cc(-c2ccccn2)cc2ncn(C3CC3)c12"]
["46126174","c1ccn([C@H]2CC[C@@H](c3n[nH]c4cnc5nccc-5n34)C2)c1"]
["98565022","COc1cc(-c2nn[nH]n2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1ccc(-c2nc[nH]n2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1"]
["182564462","COC(=O)COc1cccc2ccc(CON=[N+]=[N-])cc12"]
["183307497","[N-]=[N+]=NOc1cccnc1N1CCCC(Oc2c(F)c(F)c(F)c(F)c2F)C1"]
["181269312","CCCOC(=O)c1c[nH]nc1ON=[N+]=[N-]"]
["161801658","Oc1nc2ccccc2cc1Oc1ncc[nH]1"]
["115007548","O=C(N=c1[nH]ccnc1Cl)c1ccc(O)nn1"]
["183246957","[N-]=[N+]=Nc1[nH]c2ncccc2c1-c1[nH]c2ncccc2c1-c1cccc2nn[nH]c12"]
["30615778","Cn1c2c(c3ccc(O)cc31)Cc1c-2sc2cc3c(cc12)sc1c2sc4cc(O)ccc4c2n(C)c31"]
["120497072","NC1CCCn2c1nc1ccc(O)cc12"]
["184375274","O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(C2=CCC(O)C=C2)sc2cc(O)ccc12"]
["10960962","CCN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)N=C(O)CCS2"]
["203422","Cc1c2cc(O)ccc2c(C)c2c1ccc1cc(O)ccc12"]
["16275986","CCc1ccc2c(c1)s/c(=N/C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1)n2C"]
["197429515","CC(C)(C)OC(=O)N1CCCC(Cn2nnc3ccc(O)cc32)C1"]
["MCULE-2740703954","CC1CCCC(C)N1C(=O)c1cc(=O)c2ccc(O)cc2[nH]1"]
["184356541","CN1Cc2c(n(S)c3ccccc23)[C@@]1(N)I"]
["149052118","C[SiH](C)C#Cc1ccc2c(c1)c(F)nn2C1CCCCO1"]
["49556765","CC(=O)c1c[nH]c2cc(O)ccc12"]
["171362270","CCCn1c2ccc(O)cc2c2cc(O)ccc21"]
["180408743","CSC(C)N(CCCCC[I-]1(CCCCCC[I-]C(C)C(C)C)CC1)S(=O)O"]
["114096793","CN(CCCCCO)CC(=O)N1CCOC1=O"]
["188283897","CN[C@@H](CCN(C)CCc1cc(OC)c(Br)cc1Br)C(=O)N(C)CCCN(C)CCc1cc(OC)c(Br)cc1Br"]
["95543806","CSCCN(C)C(=O)C1(N)CCCC(C)C1"]
["86175054","CC(C)N(CCCBr)C(=O)C1COc2ccccc2C1"]
["143227175","CC(C)N(CCc1nccs1)C(=O)Cc1coc2cc3c(cc12)CCC3"]
["16683849","CCN(CC)C(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1"]
["114092243","C[C@H](N)C(=O)N(C)CCCCCO"]
["145359286","CC(C)N(POCOCCSC(=O)CCN)C(C)C"]
["181245875","CN(CCCCCCN(C)C(=O)S)C(=O)S"]
["42589246","CC(C)NCCCCCCN(C)CC1CCN(C)C1"]
["18720009","COCCN(CCOC)C(=O)[C@@H](C)SCc1ccc(SC)c(OC)c1"]
["147770493","C1=[N+](c2cc3ccc2CCc2ccc(cc2)CC3)CCN1c1cc2ccc1CCc1ccc(cc1)CC2.[Cl-]"]
["174918996","[B]COc1ccc(CCc2ccc3c(c2)CCN(N)CC3)nn1"]
["137667335","Cc1ccc2c(c1)N(C(=O)c1cnc(O)cc1C)CCC2"]
["131598173","Fc1ccc(C[N+]23CCN(CC2)CC3)c(F)c1.[Cl-]"]
["147841938","c1ccc(/C2=C(\\c3ccccc3)Cc3cc4ccc3CCc3ccc(cc3C2)CC4)cc1"]
["87772144","CC(C)N1CCCc2ccc(CCN)cc21"]
["111855846","CC(CCl)C(=O)N1CCc2ccc(F)cc21"]
["90050323","CNCC1CCc2ccc(C)cc2N1C"]
["30299194","Cc1ccc(OCc2ccc3c(c2C)CCN(C)C3)c(-c2cccc(-c3csc(C(=O)O)c3C)n2)c1"]
["111856021","CCC(CC)(CN)N1CCc2ccc(F)cc21"]
["129558056","Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc2c(c1)N(C)CCC2"]
["184439590","Cc1c(Br)cccc1OCC1(CN2CCC(=O)C2)CC1"]
["99708699","C[Si](=[O+]O[Si-](C)C1COCCCCO1)C1COCCCCO1"]
["189267345","c1cc2c(c(NC3CCCOC3)c1)CNC2"]
["145322888","COc1ccccc1-c1cc(CN=C(O)C2CCCCO2)on1"]
["139820421","COCCCCCN=C(O)N(C)CC1CCCOC1"]
["156162324","CO[C@@H]1COCCCN1S(N)(=O)=O"]
["106117184","CC(C)n1nnc(C=O)c1[C@H]1CCCO1"]
["107634324","Cc1nn[nH]c1[C@@H]1COCCCN1"]
["107648712","Cc1nsc([C@@H]2COCCCN2)n1"]
["168897048","COc1ccccc1CCC(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1"]
["129744020","CC(NC(O)=NCC1CCCOC1C(C)(C)C)c1nc[nH]n1"]
["92571201","CC(C)(C)CCC(=O)CC1CCCCO1"]
["42190422","CC(C)C=C1CCCC[C@@H]1O[C@H]1CCCCO1"]
["184609560","CC1=C2NC(=C(Br)c3[nH]c(c(O)c3N)C(Br)=c3[nH]c(c(I)c3N)=C(C)c3[nH]c1c(N)c3N)C(=O)C2=O"]
["200430217","Cc1cc(Br)c(C)c(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1O"]
["5576371","CC1=C(Br)C(=O)[C@@](C)(Br)[C@H](Br)/C1=N\\C(=O)c1ccccc1"]
["173868770","CNc1c(C=N)[nH]c(=NCC(N)=CC=N)[nH]c1=O"]
["19592075","O=C1Nc2cc(O)c([O-])cc2C1=O"]
["51806729","Cc1ccc(N2C(=O)C3C(c4ccccc4Br)NC(C(=O)O)(C(C)C)C3C2=O)cc1Cl"]
["161833897","CC1(C)NC(C)(C)C(=S2C=CC=C2)C(=O)C1=S1C=CC=C1"]
["28857642","Cc1cc(C2=C(Br)C(=O)C3CCCC23)cc(C)c1O"]
["176468534","C/C1=C\\C(C)C(O)C(O)C(=O)C2(C)CNC3=C(O2)C(=O)c2c(cc(C)c(O)c2C1=O)C3=O"]
["100287922","CC1=C(C)C(C)=C(C)C(=C2C=C(c3c(C)c(C)c(C)c(C)c3C)C=C(c3c(C)c(C)c(C)c(C)c3O)N2)C1=O"]
["138109318","CC(C)C(C)N=C(O)Nc1ccc2c(c1)CCC(=O)N2"]
["23828066","CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2C1c1ccc(Br)cc1"]
["191607928","ClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2c(c1)C=C(Cn1nc(I)c3c(Cl)nccc31)CC2.Clc1nccc2[nH]nc(I)c12"]
["117561348","Cc1nc2ccc(CC(=O)N3CCN(C(=O)c4ccncc4)CC3)cc2[nH]1"]
["31270239","Oc1nc2ncc(Cl)cc2n1[C@@H](Cc1ccccc1)CN1CCOCC1"]
["195981445","CCc1c(C(F)(F)F)ncc2ncn(Cc3ccc4nc(C[C@]5(C)CC56CCCCC6)sc4c3)c12"]
["28050914","Fc1cc(-c2nc(Cc3ccc(Cl)cc3)c(-c3nc[nH]n3)s2)ccn1"]
["173515422","N=C(O)n1ccc2cc(Cl)cnc21"]
["157710629","O[C@@]1(c2cnn[nH]2)CCN(Cc2cccc(Cl)c2)C1"]
["124207585","OC(CC1CN(Cc2ccccc2)CCO1)=NN=c1[nH]ccnc1Cl"]
["MCULE-4970840327","Cn1nc(N2CCN(Cc3ccccc3)CC2)nc1N=C(O)CCc1ccc(Cl)cc1"]
["170696988","O=S1(=O)N(C2=CCCC=C2)CC[C@]12CCN(Cc1ccc3[nH]ccc3c1)C2"]
["155296715","C[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1cc(Cl)cn1"]
["170707817","Cc1cnc2ccc(CN3CCC(C)C3)cc2c1"]
["193170984","[C-]#[N+]c1cc(F)cc(Oc2ccc3c(c2C(F)F)C(=N)C(F)S3(=O)=O)c1.[C-]#[N+]c1cc(F)cc(Oc2ccc3c(c2C(F)F)C(N)C(F)(F)S3(=O)=O)c1"]
["51237938","CC1=C(C(=O)OCCCOC(=O)c2ccccc2)C(c2c(F)cccc2Cl)C2=C(CS(=O)(=O)c3ccccc3S2(=O)=O)N1"]
["51743854","N=C(S)c1ccccc1Oc1cc(F)cc(F)c1"]
["21371561","CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OCC)c(OCC)c2)cc1"]
["176253427","Cl.NC1CCc2ccc(Oc3ccccc3-c3ccc(F)cc3)cc2C1C(=O)O"]
["150088013","[C-]#[N+]c1ccc(N=Nc2cc(OCC(CC)CCCC)c(N(CCCCC)CCCCC)cc2OCC(CC)CCCC)c(Br)c1"]
["MCULE-1132852546","Fc1ccc(C2C(CCl)C2(F)F)c(OC(F)F)c1"]
["42874718","[C-]#[N+]c1cc(Cl)cc(Oc2c(N)ccc(CC(=O)OCC)c2F)c1"]
["88225315","CCC(N)Cc1ccc(Oc2ccc(Cl)c(F)c2)c(C)c1"]
["172899299","[C-]#[N+]c1cc(C(F)F)ccc1F"]
["170702641","CN1C(=O)[C@H](NC(=N)O)Cc2cccc(Oc3cc(F)ccc3C(F)F)c21"]
["111176134","NCc1cc(F)cc(Oc2cccc3ccccc23)c1"]
["56385097","S=C1OC=NC1=[N+]1C=CN(Cc2ccn(-c3[nH+]coc3S)n2)[N-]1"]
["121278172","Cc1occc1-c1nn(CN(C)Cc2cscn2)c(=S)n1-c1ccccc1"]
["84931585","COCC(=O)CCc1ccn(-c2ccccc2)n1"]
["123403904","Oc1nc(SCc2ccn(-c3ccccc3)n2)n[nH]1"]
["142971496","CCN1CC(C(O)=NCc2ccn(-c3ccc(F)cc3)n2)CC1=O"]
["88377679","Cn1ccc(Cn2cnc(CNC3CC3)n2)n1"]
["135306396","CCc1ccc(CNCc2ccn(-c3ccc(F)cc3)n2)o1"]
["55260816","CC(C)NCCOCc1ccn(-c2ccccc2)n1"]
["147357166","NCC1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1"]
["198038243","Clc1ccccc1-n1ccc(Cn2ccnc2)n1"]
["147317246","Cl.NCC1(C(O)=NCc2ccn(-c3ccccc3)n2)CCOCC1"]
["139970208","CC(SCc1ccn(-c2ccc(F)cc2)n1)C(O)=NC(C)(C)C"]
["170627434","[NH-]CCC[Si]1=[O+][Si](=[O+][Si]2[O+]=[Si]=[O+][Si](CCCN=c3nc(N(c4ccccn4)C4[C-]=CC=C[N-]4)[nH]c(N(c4ccccn4)C4C=CC=C[N-]4)n3)=[O+]2)[O+]=[Si-][O+]=[Si]=[O+][Si](CCCN=c2nc(N(c3ccccn3)C3[C-]=CC=C[N-]3)[nH]c(N(c3ccccn3)C3[C-]=CC=C[N-]3)n2)=[O+]1"]
["184137567","CCC(c1ccc2c(c1)C(C)(C)c1cc(C(CC)N(c3ccc(C)cc3)c3ccccn3)ccc1-2)N(c1ccc(C)cc1)c1ccccn1"]
["149089120","[N-]=[N+]=NCC1C=CC(c2cc(=NCC(CN=[N+]=[N-])c3ccccc3OC3CCCCC3)[nH]cn2)=CN1"]
["151554588","CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3nc4ccccc4s3)N21"]
["170841915","CN1C(=O)C(CCCN)N=C(O)C(CCCN)NCc2cccnc2Sc2c(F)ccc(-c3ccc(P)cc3)c2CN=C(O)C1Cc1c[nH]c2c1CCC=C2"]
["191599768","OCC[C@@H](Cc1ccccn1)N=C(O)c1cccc(Cl)c1C1=NCC(c2ccc(F)cc2)=C1"]
["86456931","CCCN=c1cc(Cc2ccccn2)nc(CCC)[nH]1"]
["MCULE-3641875292","CN(C)CCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ccccn3)CC2)n1"]
["197941134","Cc1c[nH]ccc1=NCCN(C)c1ccccn1"]
["102196466","CN(C)CCN1C(S)=N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1"]
["66491370","C[C@H]1[C@@H](CN(C)CCc2ccccn2)O[C@@H](c2ccc(CNC(O)=NCc3ccccc3)cc2)O[C@H]1c1ccc(CO)cc1"]
["102105212","CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(OC)cc3)N21"]
["79522497","[C-]#CC1(C2(C3(C4(C5(C(C#CCCCCCOc6ccccc6)(C#CCCCCN(C)CC)C(C#CCCCN(CC)CC)(C#CCCN(C)C)C([CH2+])(C#C)C#CCOCCCC)C#CCCCC5)C#CCCCCC4)C#CCCCCCC3)C#CCCCCCCC2)C#CCCCCCCCC1"]
["77342733","Cc1n(CCCOC(=O)C(O)(c2ccccc2)C2CCC(F)(F)C2)cc[n+]1CCCOc1ccccc1"]
["178978091","CN(C)CCCC(=O)c1nc(NC(O)=N[C@H]2CC[C@@H](Oc3ccc4nnc(C5(C)CC5)n4c3)c3ccccc32)cc(C(C)(C)C)n1"]
["51242530","CCCCCOc1ccc(C2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC"]
["MCULE-6541891412","CCCCOCCCn1cc(OCC(O)=Nc2cccc(C)c2)c(=O)cc1CN(CC)CC"]
["182256838","CCCCCCCCOc1cc(OC(=O)N(N=C(O)Oc2ccccc2)N=C(O)Oc2ccccc2)ccc1Cl"]
["MCULE-3566311240","CCCCCCOc1ccc(C(=O)NC(Cc2ccc(OC(C)=O)cc2)C(O)=NCCC(C)c2ccccc2)cc1"]
["107911124","CN(CCCOc1ccccc1)C(=O)[C@H]1CCC[C@H]1N"]
["MCULE-8924524433","CCN(CC)CCCN=C(O)[C@@H](CC1CC1)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["63617820","CN(CCOc1ccccc1)C(=O)CCC1CCNCC1"]
["19988864","CCCCCOc1ccc(CNC2CCN(Cc3cccc[nH+]3)CC2)cc1"]
["MCULE-3143570410","Cc1ccc(-c2csc(N=C(O)C3CCCN(C(=O)CCCOc4ccccc4)C3)n2)cc1"]
["174026817","[B+]=c1c(C)c([C-](N)[N-][CH-]c2cccc3c2-c2ccc([NH+]4C5=CCCC=C5[C-]5C=CC6=C(C)CCC=C=CC6=C54)cc2C3)c(=[B+])c(=[B+])c1=[B+]"]
["175803689","Cc1c#cc2c(c1)c1cc(/C(=C/c3ccccc3C)C3CC3)ccc1n2-c1ccc2c(c1)C(C)(C)c1c-2ccc2c1C1=C(CCC=C1)C2"]
["169901429","C=C1C(CC2CC(O)C(O)C(COC3CCC(CO)O3)O2)=C(c2cc(C)c(C)c(C)c2)Cc2cccc(C)c21"]
["178283100","C=C1CCC(I=C(O)CCC2C3=C(CC(C)CC3)c3cc(C)ccc32)CC1"]
["175113226","CC1=C(c2cc(-c3cccc4cc5c(-c6ccc7c(c6)C=CCC7)cccc5cc34)ccc2C)CCC=C1"]
["173900215","[B+]=C1C=CC2=C(C1)C(C)(C)c1cc(Br)ccc1N2[C-]1C=C=CCCC=C1"]
["175803278","CC.Cc1cc(-c2ccc3c(c2)C(C)(C)C2=C3/C=C\\C3C#CC2C2=C(CCC=C2)C3)ccc1-c1ccc(C)c(-c2c(C)ccc3c2Cc2ccccc2C3C)c1.Cc1ccccc1"]
["173594688","C=C1Cc2ccc(-c3ccc(C)c(C4=C(C)CCC=C4)c3)cc2/C1=C/C=C\\C.Cc1ccc(-c2ccccc2)cc1.Cc1cccc(-c2ccccc2)c1"]
["98555307","CC1=C/C(c2ccccc2)C(C)C2C=C(c3ccccc3)C=C(/C=C/c3c(c(C4C=CC=C4)c4c5cccc6c7c(cc(c65)[c-]4c3=C3C=C=CCC3)CCC=C7)/C=C/1)C2"]
["180191756","COCc1cc(C)ccc1C1=C(C)CCC=C1"]
["183541831","COc1ccc2c(c1)Cc1cccc(Br)c1-2"]
["180547391","CC1=C(C=O)C(C)=C(CC2=Nc3cc(C4=CCCO4)ccc3C2)CC1"]
["78512030","C=[C-]C[Si](C#CC1C=C=C(C#C[Si](CC=C)(CC=C)CC=C)C2=C[C+]=CC=C21)(CC=C)CC=C"]
["82873845","C=CCS(=O)(=O)C1=NC=C2C(=O)C(C(=O)O)C(=O)N=C2N1"]
["171645035","C=[C-]COC1C=C=CC=C1C#N.[Br-].[Mg+2]"]
["79265346","C=CCN(CC=C)[C]1C=CC(=C2C(c3ccc(N(CC=C)CC=C)cc3)=C=CC=C2N(c2ccc(N(CC=C)CC=C)cc2)c2ccc(N(CC=C)CC=C)cc2)C=C1"]
["174436960","C=CCC1CCC=C1c1ccc(F)cc1"]
["195909791","C=CCC1=CC=NCC1C(=N)O"]
["174628844","C=CC[Si](OC)(OC)OC.Cc1ccccc1"]
["158977439","C=[C-]CCCCOC1=CC=C=CC1F"]
["162166197","C=CCC1CCCC=CCC1=O"]
["32776964","C=CC[Si](C)(C)OCC(c1ccccc1)N1C(=O)C2C(C1=O)N2C"]
["97065638","C=CC[Si](C1C2c3ccccc3C1C(C#N)(C#N)C2(C#N)C#N)(C1C2c3ccccc3C1C(C#N)(C#N)C2(C#N)C#N)C1C2c3ccccc3C1C(C#N)(C#N)C2(C#N)C#N"]
["171944036","CCO[C-]=O.CC[Si](C#CC1=C=CN=C[N-]1)(CC)CC.[Y]"]
["130419180","O=c1c2ccsc2ccn1CC(O)=NC(O)=NCCc1cccs1"]
["67355878","O=C(Cn1ccc2ccccc2c1=O)Nc1ccc2c(c1)CCC2"]
["125910641","O=C1CCCN1Cc1ccccc1CN=C(O)Nc1nc2c(s1)COCC2"]
["45392831","CCS(=O)c1ccccc1C(=O)OCC(O)=NC(=O)Nc1ccc(C)c(C)c1"]
["50165947","CCCn1cccc1CNC(CC(=O)OC)c1cccs1"]
["108398337","CS(=O)(=O)N1C[C@@]2(CO[C@@H](C(O)=NCc3cccs3)C2)c2ccccc21"]
["120627313","CNCCC(O)=NCCc1ccc(OC)c(Br)c1"]
["166254001","O=c1ccc(C(F)(F)F)cn1CC(O)=Nc1nc(-c2ccccc2Cl)cs1"]
["17882083","CCN=C(O)N=C(O)[C@@H](c1ccccc1)N(C)CC(O)=Nc1ccccc1Cl"]
["56742471","O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCc2ccccc2C1"]
["MCULE-3011609849","O=C(CC(F)(F)F)N1CCOCC(CN=C(O)Cn2ccc3ccccc32)C1"]
["88699722","C[C@@H](NCCCc1nc(-c2cccs2)no1)C(=O)O"]
["74112110","CCC(C)[C@H]1NO[C@@H](Cc2ccc(O)cc2)N(C)O[C@@H](C(C)CC)N2O[C@@H](CC[C@H]2O)NO[C@@H](CC(C)C)NO[C@H](N=C(O)[C@H](CCC(=N)O)N=C(O)C(C)C)[C@@H](C)OO1"]
["MCULE-2156452656","CCC(C)N=C(O)C(CCSC)N=C(O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O"]
["128222522","OC(=NCc1ccccc1N1CCCCC1)N(Cc1ccc(O)cc1)CC1CC1"]
["78042846","CCCC(N=C(O)C(Cc1ccc2ccccc2c1)N=C(O)C(CCC(=O)O)N=C(O)C(N)CN=C(O)C(CC1CCCCC1)N=C(O)C(N)Cc1ccc2ccccc2c1)C(=O)O"]
["145619980","CCCN1CCC(N=C(O)N(CC)Cc2ccc3[nH]ccc3c2)CC1"]
["187405365","CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)N=C(O)C(N)CCC(=N)O"]
["185583357","CCCSc1cc2c3c(c[nH]c3c1)C[C@@H]1[C@@H]2C[C@H](N=C(O)N(CC)CC)CN1C"]
["MCULE-7966101159","CCCC(N=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(O)=NCC1(O)CCc2cc(OC)c(OC)cc21"]
["24432685","CC(C)C(O)=NC(S)=NC1CCN(Cc2ccccc2)CC1"]
["MCULE-1225929525","CC(C)(C)OC(O)=NC(CCC(=N)O)C(=O)N1CCC(O)C1"]
["29788247","CC(Cc1ccc(O)cc1)N=C(O)c1cc(F)cc(C(F)(F)F)c1"]
["MCULE-5285591658","CCCC(N=C(O)C(C)C1CCCC1)C(=O)Nc1ccc(N=C(C)O)cc1"]
["83934149","NC1NC(N)NC(N=CO)N1"]
["162811628","CCC1(C)CC1N=CO"]
["185131070","NC1NCC(CCl)N1"]
["150206913","CN=C(O)C(N)N=CO"]
["98172421","CC(CC=O)N=CO"]
["79200550","CN(C)S(=O)(=O)N=CO"]
["75033890","CN1OC(C2CC2)=NC1N=CO"]
["89124119","NC1CCCCC1CN=CO"]
["174896263","C=C(NN=CO)C(O)=NN"]
["181398472","NN1CCNCC1O"]
["185802540","CC1CC(C)NC(N)N1"]
["174519011","OC=NO.[Cu]"]
["166789581","CC(C)c1oc2c(c1N)P(=O)(C(C)C)c1ccc(Nc3c(C(C)C)oc4c3P(=O)(C(C)C)c3ccccc3S4(=O)=O)cc1S2"]
["84980910","CCCC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1cccs1"]
["8072035","CC(C)C[C@H](C)N1C(=O)CSc2cc(Nc3ccccc3)ccc21"]
["125933284","Cc1ccc([N+](=O)[O-])c(C)c1NC(O)=N[C@H](C)c1ccccc1"]
["170172182","CC(C(=O)O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(-c4ccccc4Cl)cc(=O)oc3c2)C1"]
["132261288","CC(C)CC(Nc1cccc(COCc2ccco2)c1)c1ccccn1"]
["123023538","C[C@H](O)CNS(=O)(=O)C1=Cc2ccccc2CC1"]
["187374363","CC1=CS(=O)(=O)c2cc3c(Nc4cc(O)ccc4F)ccnc3cc21"]
["136378547","CC(NC(=O)C(=O)Nc1ccccc1N1CCCCC1)C(O)=NCc1ccco1"]
["69944914","COc1ccccc1-c1c(C(N)=O)sc2cnc(Nc3cnc(N4CCN(C)CC4)cc3OC(C)C)nc12"]
["144684607","COc1cccc2c1C(C(C)(C)N)=CS2(=O)=O"]
["111231245","CC(NC(C)C(F)F)c1nccs1"]
["195520302","O=C(O)C12CC3CC4C(CC41C2)C31SCC(CSC(=O)C23CC4CC5C(O)(C4)CC52C3)S1"]
["59468475","CC(=O)OC[C@]1(O)C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)[C@@H](OC(C)=O)C[C@@H]1C3"]
["45679673","CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CNC23CC4CC(CC(C4)C2)C3)C1"]
["52956921","CCC(CC)C(=O)N1CSCC1C(=O)N1CC2(C)CC1CC(C)(C)C2"]
["CSSS20621756004","C#CCCC1(CCC(O)=N[C@@H]2C[C@H]3C[C@@]3(C(=O)O)C2)N=N1"]
["109230247","N#CCSc1ccccc1N=C(O)COC(=O)C1C[C@@H]2CCC[C@@H](C1)C21SCCS1"]
["63238978","CCC(=O)SC[C@@H](O)[C@@H](O)C1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N=C(C)O"]
["198803662","C=CCOC(=O)N1CCCC(C2(C(=O)O)CC(F)(F)C2)C1"]
["140271940","C=C(C)CC(C)C(=O)N1CSCC1C(=O)N(C)C1CC1"]
["174241839","N#CC[C@]1(C(=O)O)C[C@@H](C(=O)O)N(C(=O)O)C1"]
["176156402","CCOC(=O)[C@H](CSC1(C)CC2CC1CC2(C)C)N=C(C)O"]
["133990339","CC1CC(CC(=O)N(C)Cc2nccs2)CC(C)(C)C1"]
["66712225","COC(OC)[Si]=C=[C+][Si](=C=C=[Si-]C(OC)OC)[C+]=C=[Si-]C(OC)OC"]
["172524335","COC(OC)[Si]CCCN1CN(CCC[Si+]C(OC)OC)CN(CCC[Si-]C(OC)OC)C1"]
["91279555","COC(OC)[Si-]=C=C=C1[CH+]C=Cc2ccccc21"]
["93165960","CCCC(OC)c1noc(-c2cc(OC)ccc2O)n1"]
["120898446","COc1ccc(C(N)OC)c(Cl)c1Cl"]
["MCULE-8813576845","COc1cc(-c2cc(N)n3nc(C(F)F)cc3n2)nc(C(F)(F)F)c1"]
["192715116","[CH2+]C(CC)OC"]
["163187056","COc1c(F)cc(Cl)c(C)c1C(O)C#N"]
["163254878","COc1c(F)cc([C@H](N)[C@H](C)O)cc1F"]
["95729784","COC(C)Cn1cccc1CNC1CC1"]
["171824671","[CH2+]C(CC[CH2-])OC.[In+].[NH2-]"]
["91439785","CC[CH+]C(C)=[Si-]C(OC)OC"]
["175926479","CC(=O)N1CC(C)CC2=C1C[C-]=C(C1=[C+]COCC1)[CH-]2.CNC(=O)c1ccc(N)cc1.[V]"]
["153002575","C[C@@H]1N=C(O)[C@@H](N(C)C(=O)[C@H](CCCCN)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c2ccc(O)c(c2)-c2cc(ccc2O)C[C@@H](C(O)=N[C@@H](N)C(=O)C(=O)NCc2cc[nH]n2)N=C1O"]
["15740922","C[C@H]1CN(C)/C(=N/C(=O)c2ccc(Br)cc2)S1"]
["98082385","COC1=C[C@]23CCN(C)[C@H](Cc4c(Br)cc(OC)c(O)c42)[C@@H]3CC1=O"]
["105448802","COC(=O)c1cc(N[C@H]2CCN(C)C2)ccc1N"]
["66336289","COc1ccccc1CN(C)C(=O)c1ccc(N)cc1"]
["166474723","CC(=O)N1CCCN(C(=O)C2CCc3ccccc3C2)CC1"]
["MCULE-1163889610","Cc1cnc(C(O)=NCC2CN(C(=O)CN3Cc4ccccc4C3=O)CCO2)cn1"]
["MCULE-9941632677","Cn1cc(CN2CC(NC(=O)c3ccc4c(c3)CCCO4)Cc3ccccc32)cn1"]
["69277771","CC(O)=Nc1cc(C(=O)N2CCOCC2c2ccc(C)o2)ccc1F"]
["61831824","C=C(NC)c1ccc2c(c1)CCc1cc(C(=O)NC)ccc1C2(C[C@@H](C)NCC(=C)N1C(C#N)C[C@@H]2CC21)c1nc(=O)on1C"]
["5476706","CSCc1ccc(N=C(O)C(=O)N2CCOC[C@@H]2C)cc1"]
["164670047","CC(CCc1ccc(COC(O)c2ccc(CCC(CCc3ccc(O)nc3N)C(C)(C)C)c(O)n2)nc1N)CCn1ccc(=N)nc1O"]
["173641843","C=CC=C.CCCC(CCCn1ccc2cc(C3=C(C)CCc4[nH][nH]c(=N)c43)ccc21)NC"]
["186295863","N=c1ccn(C2=C(C(O)=NCC=O)C=C(Cl)CC2)c(O)n1"]
["170391730","CC(F)(F)c1c(N[C@H](CCCn2ccc3cc(-c4nc5ccccn5n4)ccc3c2=O)COC(F)F)cnnc1O"]
["144526154","COCCN(Cc1cnc2ccccn12)c1c(O)nc(=O)n(CC(C)C)c1N"]
["70206711","CC(C)C(OCc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(O)nc1=N)c1ccc(I)cc1[N+](=O)[O-]"]
["197105247","CC(C)(CO)COC1C(OC(=O)C(C)(C)CO)[C@@H](COC(=O)C(C)(C)CO)S[C@H]1n1ccc(=N)nc1O"]
["MCULE-9644807393","CC(C)c1ccc2nc(O)c(CCN=C(O)C(C)(C)N=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2c1"]
["68846331","CCN(Cc1ccn(C2CCCCC2)n1)CC(C)C(=N)N"]
["51697867","CC(C)(C)[Si](OC[C@H]1C[C@](F)([Se]c2ccccc2)[C@@H](n2ccc(=NC(=O)c3ccccc3)nc2O)S1)(c1ccccc1)c1ccccc1"]
["89491068","CCCC(O)c1cc(C(C)(C)C)ccc1F"]
["95220694","COc1cccc(OC)c1C(O)CCc1nccn1C"]
["184324893","CC1=C=CC(C)=C2C1=IC[I+]P(NC1=C(C3=C(OPOc4c(C)ccc(C)c4-c4cc(C)ccc4C)[CH-][CH-]C=C3Op3oc4c(C)ccc(C)c4c4c(C)ccc(C)c4o3)C(Np3oc4c(C)ccc(C)c4c4c(C)ccc(C)c4o3)=[C-]CC1)Oc1c(C)ccc(C)c12"]
["MCULE-8226673754","Cc1ccc(C)c(C2=C(NCc3ccco3)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)c1"]
["MCULE-7871830743","Cc1ccc(C)c(C2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(CCC3=CCCCC3)C2=O)c1"]
["MCULE-1816259886","Cc1ccc(C)c(C2=C(Nc3cccc(C(=O)OC(C)C)c3)C(=O)N(C3CCCC3)C2=O)c1"]
["MCULE-4760179060","Cc1ccc(C)c(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(CCCO)C2=O)c1"]
["46416582","CCN=c1[nH]c(-c2cc(C)ccc2C)nc(C2CC2)c1I"]
["MCULE-5990225637","CCCCCN1C(=O)C(Nc2ccc(CC)c([N+](=O)[O-])c2)=C(c2cc(C)ccc2C)C1=O"]
["MCULE-1916304553","Cc1ccc(C)c(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(Cc3ccco3)C2=O)c1"]
["17311488","CC(=O)c1cccc([C@H]2C=C3CN(C[C@H]4C=[NH+]N=C4c4cc(C)ccc4C)CC[C@H]3N(C)C2=O)c1"]
["MCULE-1662666603","COc1ccc([N+](=O)[O-])cc1NC1=C(c2cc(C)ccc2C)C(=O)N(c2cccc(C)c2C)C1=O"]
["MCULE-6709888337","Cc1ccc(C)c(C2=C(Nc3ccc(C)c(C)c3)C(=O)N(c3cccc4c3CCCC4)C2=O)c1"]
["MCULE-2926517795","CCOC(=O)N1CCC(N2C(=O)C(Nc3cc(C)ccc3OCC(C)C)=C(c3cc(C)ccc3C)C2=O)CC1"]
["100208210","N=C(N)CN=NC(C(=N)N)[N+](CC(=N)N)=NCC(=N)N"]
["166758718","CC=CC(C)C(=N)N"]
["26860207","CCOC(CC(O)=NC(=N)N)OCC"]
["90663825","N=C(N)c1ccc(C(=O)NC(Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1"]
["178578083","CCNC(C)C(=N)N"]
["53470199","CCC(C(=N)N)N(CC(C)C)CC(C)C"]
["182584076","[N-]=[N+]=NC(=S)CC(=N)N"]
["157265325","C[C@H](C(=N)N)N1C[C@H](C)N(C)[C@@H](C)C1"]
["99535714","N=C(N)N(O)/N=C/c1c([N+](=O)[O-])ccc(Cl)c1[N+](=O)[O-]"]
["192487402","CCC#CCC(=N)N"]
["159193622","CCC1CN(CC(=N)N)C1"]
["42462503","CC(CN(C)C(O)=Nc1ccccc1)C(=N)N"]
["79354096","CN1BN2CCCN3CCCN([SiH2]1)B23"]
["84131515","CN1CCCN(C)B1Cl"]
["126464799","c1cc(CN2CCCN(Cc3cscn3)CC2)cs1"]
["63930283","CN1CCCS[P+]1=S"]
["64453808","CC(C)C1CCCN1CC1CO1"]
["162748216","CC#CCCN1CCCC1C(C)C"]
["162409488","CC(C)(N)CCCN1CCC1"]
["180717718","CCCN1CCC[C@@H]1C(C)C"]
["86591096","CC(CN)CCN1CCCC1C(C)C"]
["120047125","CCC(N)(CO)CCCN1CCCN(C)CC1"]
["44089617","CC1S/C=C\\CCN(C)C1C"]
["112491067","CCC1CN(C)CCCN1c1nc2c(s1)CCCC2=O"]
["167324455","N#CC(C#N)=C1C2OCC(O2)C2C1C1(C(C#N)C#N)CC(C3COC1O3)C2(C#N)C#N"]
["108950257","O=C1[C@@H]2OC[C@H](O2)[C@H]2[C@H]1[C@H]2C(=O)C12CC3CC(CC(C3)C1)C2"]
["44230523","COC1OC2COC(c3ccccc3)OC2C(OC(=S)N(C)C)C1OC(=S)N(C)C"]
["22803181","O=C1C2OCC(O2)[C@H]2[C@@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1ccccc1"]
["109081913","O=C1C[C@@H](n2nnn(CCn3nnn([C@@H]4CC(=O)[C@@H]5OC[C@@H]4O5)c3=S)c2=S)[C@@H]2CO[C@@H]1O2"]
["24158766","CC1(C)CC(=O)C2=C(C1)OC1(O)C[C@H]2C2CO[C@@H]1O2"]
["19414813","O[C@@]12C[C@@H]([C@H]3CO[C@@H]1O3)n1nc(-c3cc[nH+]cc3)[nH+]c1N2"]
["147834300","COC(=O)[C@@]1(C)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]2C(=O)[C@@H]3OC[C@@H](O3)[C@H]21"]
["162789800","CC(C)NC1(C#N)CC(C)OC1C"]
["99048105","N#CC12CC3CC1C(OC2O)C3OC=O"]
["51966644","Cc1cc(C)c(C2=C(O)[C@H]3[C@@H]4CC[C@@](C5OCC(C)(C)CO5)(O4)[C@H]3C2=O)c(C)c1"]
["190983958","C.C[C@]12O[C@](C)(C[C@@H]1O)[C@H]1C(=O)N(c3ccc(C#N)c4nonc34)C(=O)[C@H]12"]
["97333338","C1CCN(C23C4=C5C67OC58C5=C4C4(N9CCCC9)c9c2c2c%10c3c6c3c6c7c7c%11c%12c(c%13c%14c%15c(c4c4c9c9c2c2c%16c%10c3c3c%10c6c%11c6c%11c%12c%14c%12c%14c%15c4c4c9c2c2c(c3%16)c(c%106)c(c%12%11)c2c4%14)C5%13N2CCCC2)C78N2CCCC2)C1"]
["94330030","Cc1c(C(N)C2CCCCCC2)cnn1C"]
["181561248","N=C(O)C1=CCC(C2CCc3ccccc3C2)(N2CCCCC2)C=C1"]
["160492713","OC1=NC2(CCC2)C(NC(O)=NCC2(N3CCCC3)CCOCC2)CC1"]
["200309380","CCCCc1nc(CNCC2(N3CCCC3)COC2)c(Cl)[nH]1"]
["84572533","C#CC(=O)C1(N2CCCC2)CCCC1"]
["194985471","CC(=O)N1c2c(ccc(O)c2O)C23CCN4CCCC5(CCOC452)CCC13"]
["66339705","CCCCC1(N2CCCC2)CCC(=O)CC1"]
["91254311","N#CC1(c2c3n(c4ccccc24)CCCC3)CCCCC1"]
["4074180","O=c1oc2cc(Cl)ccc2n1CCC(O)=NCC1(N2CCOCC2)CCCCC1"]
["150388930","CNC1CCCCN(C23CN2OCC(C(C)(F)CF)=N3)CC1"]
["89601280","NC1CCCc2cnn(C34CC5CC(CC(C5)C3)C4)c21"]
["168500738","[C+]1=CCC2[Si](=C1)C1C=C[Si-]2C=C1"]
["170396732","O=C1CC2C3C=CC1C=C[C@@H]32"]
["184445255","CC1CCC=C=CCC1C1C=CCC1"]
["73693962","O=CC1=CCC2C=CCCC2C1"]
["70366792","OC1CC2C=CCC2CO1"]
["179987134","CC1NC=CC2CC21"]
["73570293","CCCOC1[C-]=C[C+]=CC1"]
["184114913","ON=CC1=CCC2C=CCC2C1"]
["26865387","C[CH]CCC1C=CCC1"]
["78158137","[CH-]=C[C@H]1C=C[C+]=CC1"]
["185192555","O=C(O)C1CC2C=CCC2C1"]
["75932866","[CH2-]C1CC=[C+]NC1=N"]
["179959396","C1=CC(=c2cnn3c2=NC2C=C4CNCCSC4=NC2C#C3)C=C[NH+]=1"]
["74085652","[C]1CC=CC2=CNCC3=CSC=CN3C12"]
["160718858","Cc1nc(C)n(C2CN(C(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)C2)n1"]
["120832272","CN1CCNCC1c1ncc(C2CCCC2)[nH]1"]
["107497778","Cc1ncc(-c2ccn3c2CNCC3)s1"]
["148734178","BrCc1cccc2c1SCCNC2"]
["74923706","CCO[C]1CNCCS1"]
["MCULE-4203574044","O=[N+]([O-])c1ccncc1-n1nccc1C1CNC1"]
["147950036","CC1CN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CCN1"]
["147270534","Cn1ccnc1C1CNCCN1C(=O)[C@@H]1CSC(O)=N1"]
["MCULE-2932224298","ON=Cc1cnn(-c2cncc(O)c2)c1C1CNC1"]
["MCULE-5511606731","CCN1C=CC(n2ncc(C=NO)c2C2CC2)=CC1O"]
["58782049","[P-]=PP=C=[O+]c1ccccc1I"]
["56105680","COc1cc(/C=N\\N=C(O)Cc2ccccc2)cc(I)c1OC"]
["92530359","COCCCCC(O)=Nc1ccccc1I"]
["MCULE-9645579768","COC(=O)Cc1cc(O)n2nc(C(F)(F)F)c(-c3ccccc3I)c2n1"]
["177383481","[I-].c1ccc(C[N+]23CCC(CC2)CC3)cc1"]
["114031834","NC(c1ccccc1I)C1CCCOC1"]
["91237786","OC(C#CC(O)(c1ccccc1)c1ccc(I)cc1)(c1ccccc1)c1ccc(I)cc1"]
["7232087","C[C@@H]1CN(C(=O)c2ccccc2I)[C@@H](C)CO1"]
["46345836","C[C@@H](C#N)OC(=O)CN=C(O)c1ccccc1I"]
["62322359","OC(=Nc1ccccc1I)C1CNC1"]
["157126397","CO[SiH3].[SiH3][SiH2][SiH2]c1ccccc1"]
["91124796","Ic1cscc1C#Cc1ccccc1"]
["195961528","CC1=C=C([CH-]O)C(=[C-]O)CC1.[U+2]"]
["100852197","C[C]1C[CH+]CC1"]
["25955365","C[C]1CCc2c(cc(C)c(O)c2C)O1"]
["97552529","CC1=C=C(C(C)C)CC1"]
["135571911","Cc1cc(CN[C@H](CO)C(C)(C)C)no1"]
["101473111","CC(C)=C=[N].Cc1[c]cccc1C.[Bi]"]
["153857376","CO/C(O)=C1\\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(F)ccc1F"]
["139398987","Cc1cc(C(C)NC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)c(C)s1"]
["45804401","Cc1cc(O)n[nH]1.Cc1cc(O)n[nH]1"]
["65024728","CC1=NC(=[C-]O)C(=O)O1.[Na+]"]
["184114544","CC1=C=C(C)CN=C1"]
["179084807","C[S+]1CCC2=C=C21"]
["198494697","CC1=C(C)C2C(C)=C(c3c(C)c(C)c(C)c(C)c3C)C(C)=C(C)C2C(C)=C1C1CC(c2c(C)c(C)c3c(c2C)OC2C(C)C(c4c(C)c(C)c(C)c(C)c4C)C4C(C)C(C)C(C)C(C)C4C32)CC(c2c(C)c(C)c3c(c2C)C(C)=C(C)C(C)C3C)C1"]
["182103985","CC1=C(C)C(C(CCP(C)C)S#[N+]N=[N-])c2c(C)c(C)c(C)c(C)c21"]
["174113693","[B+]=C1C(c2ccc3c(-c4cccc(-c5ccccc5)c4)c4c(c(-c5c(C)c(C)c(C)c(C)c5C)c3c2)=CCCC=4)=C(C)C(C)=C(C)[C-]1C"]
["65818709","Cc1c(C)c(C)c(C2C(C)C(C)C(C)C3C(CC4C(C)C(C)CC4C(C)C(C)C(C)C(C)C4C(C)C(C)C(C)C(C)C4C)C(C)C(C)C23)c(C)c1C"]
["174032538","CC1=C(C)C(C)C(C)c2c(C)cc(C)c(C)c21"]
["49419303","CC1=C(C)C2=C(C)C3=C4C5=C(C(C)=C6C(=C1c1c(C)c(C)c(C)c(C)c16)C25)C(C)=C(C)C4c1c(C)c(C)c(C)c(C)c13"]
["73761788","CCON=C(CC)C1=C(O)CC(c2c(C)c(C)c3c(c2C)OCC3=O)CC1=O"]
["172095506","CC1=C(C)C(CCC2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2c(C)c(C)c(C)c(C)c21"]
["74284934","CC(C)(C)N=C(O)N1CCCC(CCN2CN(Sc3cc4c(cc3Br)OCO4)C(N)=C3N=CN=C32)C1"]
["97460029","CC1=C(C)C([Si](C)(C)C2C=CC=C2)c2c(C)c(C)c(C)c(C)c21"]
["51872954","[B+]=Bc1c(C)c(C)c(C)c(C)c1C1=C2[C](Oc3c(C)c(N(C)C)c(C)c(C)c31)C(C)=C(N(C)C)C(C)=C2C"]
["167311906","Cc1cc2c(c(C)c1C)OC1(O2)Oc2cc(C)c3c(c2O1)C1C2CC(C31)C1c3c(C)c4c(c(C)c3C21)C1C2CC(C(C)C2C)C41"]
["195350132","C=C/C=C\\C=C(/C)S(=O)(=O)NC1=CI=C[N-]C1=Ic1cnno1"]
["176372073","C=Cc1cnc(C(CCCC)S(=O)(=O)O)[nH]1.F[B-](F)(F)F"]
["85013206","Cc1nc(S(=O)(=O)NC2=NN=C/C2=C(/N)NO)cn1C"]
["174687445","C=C(C)/C(=C\\C=C(/C)NCCC)Sc1nc(N=c2cc(C)[nH][nH]2)cc(N2CC(N3CCC3)C2)n1"]
["144591922","C=C/C=C\\C=C(\\C)CN(/C=C/C=O)CC=O"]
["74870055","C=C/C=C/C=C(/CCCCCCCCC)OC.OCc1ccccc1O"]
["49481796","CCC1CN(S(=O)(=O)c2cnc(O)nc2O)C(CC)CN1"]
["100587265","Cc1cc(-c2cncc3cc(/C=C4\\SC(=O)N=C4O)oc23)cc(C)c1NS(C)(=O)=O"]
["178980939","C=C/C=C\\C=C(/N)c1cc(F)nc(SCC(=O)OCC)n1"]
["25434719","C=CC=C(C#N)C(=O)OC[Si](C)(C)c1ccccc1"]
["75117744","C=C/C=C\\C=C(/N)C(=C)C1=CC=C=C=N1"]
["CSSS20572395462","C=CCC(CC)C(=O)N1CC(COC)(N=C(O)c2ccc(S(N)(=O)=O)nc2)C1"]
["175251025","CC#COC(C)C(OC#CC)(OC#CC)PC(OC#CC)(OC#CC)C(C)OC#CC"]
["181640992","CC#COC(CCCCCC)(CN=[N+]=[N-])OCCCCCC"]
["34474244","CC#C[C@@H](C)[C@@H](OC(=O)OC(C)(C)C)C1CCCCC1"]
["MCULE-4222226786","CC(C(=O)O)N(CCC#N)C(=O)c1ccc(N)cc1O"]
["96332955","COC(C)C(C)(NC(C)C)C(=N)O"]
["78238660","CC#COC(C)C(O)(O)CC"]
["105273387","Cc1sc(C(=O)O[C@@H](C)C#N)cc1N"]
["83914092","CCN(CC)C(C)OCCOC(C)N(CC)CC"]
["185354320","COC(C)C(C)(C)[NH3+]"]
["70388130","C#CC(C(O)C(C)C)C(N=C(O)OC(C)(C)C)C(C)C"]
["172018651","CC#CC(C#CC)C(C)C"]
["85961423","CC(C)C(O)COC1CCCC1"]
["194597884","CSc1c2ssc3c4ssc5c6ssc7c8ssc9c%10ssc%11c(S)c1c1c(c%11%10)c(c98)c(c76)c(c45)c1c23"]
["144918331","COc1ccc(C2(O)CC2)c(OC)c1SC"]
["163203395","CCc1cc2ccc(CCl)c(SC)c2s1"]
["162732789","COc1cccc2c(SC)c(I)sc12"]
["176012613","CSc1c(N)ccc2c1[nH]c1ccccc12.Cc1ccccc1"]
["163152569","CCOc1c(O)cc2ccsc2c1SC"]
["144853524","COc1cccc(CNO)c1SC"]
["182633847","CSc1c(S)cc(C(F)(F)F)cc1N=[N+]=[N-]"]
["162844693","CSc1c(N)sc2c(N)cccc12"]
["95665260","CSc1cccc(S)c1C#N"]
["162786612","CSc1c(CCl)sc2c(S)cccc12"]
["163124096","CCc1cc2cc(SC)cc(CCl)c2s1"]
["91465004","C1=[Si]=Cc2c[si-]ccc2[CH+]1"]
["MCULE-7331598618","CC(=O)CNC(=O)c1ccc(Br)n1C"]
["64099580","O=c1ccnc(O)n1C#CBr"]
["197644381","Clc1ccnc2c1cnn2C1CNC1"]
["91636303","C1=[Si]=CC2=C1CC2"]
["150945342","O=C1C[C@@H](O)c2cccn21"]
["46658021","CNC(C(C)=O)c1cccs1.Cl"]
["75286718","O=CC1(CF)CCN(Cc2ccccc2)C1"]
["88749152","O=C1N(C2CC2)C(c2ccccc2)NC12CCCC2"]
["32963735","COP(=O)(OC)OC(c1cccs1)P(=O)(OC)OC"]
["105465717","Cc1ccccc1[C@H](C)NC(=O)C(=O)NCCN"]
["97572556","B1c2ccc3c(c21)B3"]
["172242126","[B+]N/N=C1\\OS([O])(O)C2=C1/C=C\\C=C/C=C\\2"]
["67814499","O=C1C=CC=C/C1=C1\\C=C(C(O)=NCc2ccc3c(c2)OCO3)ON1"]
["79590947","[2H][C]1C=CC=CC1=C([2H])[2H]"]
["182466357","O=C1C=CC=CC1C(=O)OI"]
["173894759","S=P12C3=C(/C=C\\C=C/C=C3)O/C3=C/C=C\\C=C/C(=C31)OC1CCCCCC12"]
["97078122","CC(C)(C)OC(O)=NC1C=CC=CC2=C1CCC2=O"]
["163085349","CC(=O)CC1=NC(=C2C=CC=CC2=O)NO1"]
["163208222","N#CC1=C(Br)C(=C2C=CC=CC2=O)NO1"]
["144712831","COC(=O)C1=CC=CN2C1=CN/C2=C1/C=CC=CC1=O"]
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["175362506","OC1=NN=NC1.c1ccccc1"]
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["147742508","Br.c1nc2[nH]c1CC2"]
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["113559476","COC(C)(C)CCOCC(=O)c1c(C)cc(C)cc1C"]
["187128914","CCC(C)(C)C(=O)OCCCCCCCOc1ccccc1C1=C(F)c2ccccc2CC1"]
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["146505195","CN=C(NC1CCCN(c2ncccn2)C1)NC1C2CCOC2C12CCCC2.I"]
["194536086","CCP(CC)C[NH+](C)CP(CC)CC.CC[PH+](CC)C[NH+](C)C[PH+](CC)CC.[Ni]"]
["170811717","CCC(N)SP(C)CC"]
["185817689","CCP(CN)CO"]
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["51860720","CCP(I)I"]
["172796455","CCP(O)O.CCP(O)O.[Mn]"]
["99247352","CCP(CCP(CC)Cc1ccccc1)Cc1ccccc1"]
["171407976","CCP(I)C(C)(C)C"]
["185464250","C=CC[PH+](CC)CC"]
["171865883","Br.CCP(CC)CC=O"]
["181970734","CCP(CC)CCC[SiH](C)OC"]
["150027831","CCP(CC)CN(C)C(C)C"]
["79138342","C1=C[N]C=C[NH+]=C1"]
["75808530","BrC=C1C=C[N]C=C1"]
["110872553","[Pd+2].[Se]=C1C=C[N]C=C1.[Se]=C1C=C[N]C=C1"]
["26692299","C1=C[N]C(=C2CC2)N=C1"]
["173194177","ON1C=[NH+]C=CC1"]
["79340711","C1=[N+]=NC=[NH+]1"]
["180655339","C1=CC=CN=C=CN=1"]
["100996250","O/C=C/C1=NC=CC=CN1"]
["25069310","C=CCC=C1C=C[N]C=C1"]
["75382372","C1=CN=C[N]1.Cl.Cl"]
["179751310","O=C1C=CC=[NH+]C=I1"]
["185193519","C1=C[NH+]=CC2=CCSC2=N1"]
["193614908","[CH2-][N-]OC(CON)([I]N)[I]ON"]
["112329229","COC(=O)C1(CON)CCCC1"]
["63387232","NC(CCCBr)O[B]OC(N)CCCBr"]
["197432070","CCc1ccsc1C(C)(C)CON"]
["5897259","CC(C)(C)CON"]
["170966660","CC(O)NCC(C)(C)COCC(C)(C)CON"]
["197308445","CC(C)(CCF)ON"]
["57639509","CC(C)(N)COC(C)(C)C"]
["197487431","CC(C)(CON)c1cc(Cl)nc(Cl)c1"]
["195938074","CCC(I)(CC)ON"]
["120489705","NOCC(F)(F)C1CCNCC1"]
["197367645","COCCC(C)(C)CON"]
["195501006","NC1=C(N)I(N)C(N)C2=C1C(=O)OC2N"]
["96128419","NC1CCCC1c1cc2ccccc2o1"]
["89026071","C=C(C)CN1C(=O)COc2cc(N)ccc2C1=O"]
["170630507","Cc1ccc(-n2c3c(c4ccccc4c2=O)C(Cl)C(C=O)O3)cc1"]
["97158449","CC1N=CC2=C(C(=O)OC2(C)C)C1=O"]
["MCULE-5594522195","Nc1c2c(nc3c(C4CCCC4)c(C4CCCC4)nn13)CCOC2"]
["198532333","Nc1cn2c(-c3ccccc3)c[nH]c2cc1=O"]
["101036216","C[C@@H]1OC(=O)C2=C1[C@H](/C=C/[C@H]1CCC[C@H](C)N1C)[C@H]1CCCC[C@@H]1[C@H]2O"]
["70708085","Cc1cccc(C)c1N1CCCC=CC1=O"]
["174903186","NC1CC(=O)c2c(c(O)c3ccccc3c2O)C1=O"]
["176398341","CC1=CC(Oc2cccn(C)c2=S)OC1=O"]
["182779920","CCN(CC)C1OC(=O)CC(=O)O1"]
["79411343","CC1=Cc2ccc(C)c(-c3cc(C)cc(C)c3)c2C1=[Si-](C)(C)C1=c2c(-c3cc(C)cc(C)c3)c(C)ccc2=C[C+]1C"]
["MCULE-7937688307","COc1ccc(C(O)=Nc2cc(-c3cc(C)cc(C)c3)c(F)cc2C)cc1C"]
["58810092","CN=c1[nH]c(-c2cc(C)cc(C)c2)nc(C)c1I"]
["195217745","Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)cc(N3C[C@H](C4CCCCC4)N=C3C3=N[C@@H](C4CCCCC4)CN3c3cc(-c4cc(C)cc(C)c4)cc(-c4cc(C)cc(C)c4)c3)c2)c1"]
["MCULE-7540592497","Cc1ccc(CN2CCN(C(=O)c3cc(C)ccc3-c3cc(C)cc(C)c3)CC2)cc1"]
["172853039","CCc1cc2c(-c3cc(C)cc(C)c3)c(C(C)C)cc[c-]2c1.[Zr]"]
["MCULE-2196145536","Cc1cc(C)cc(-c2ccc(N=C(O)C3CCC(F)(F)CC3)cc2F)c1"]
["96735686","Cc1cc(C)cc(-c2c(C)c(O)cc(O)c2O)c1"]
["87625205","Cc1cc(C)cc(-c2ccc(C(N)=S)o2)c1"]
["168687122","Cc1cccc(-c2nn(C(=N)S)c3c2CCCCN3)c1"]
["MCULE-3030763495","COc1ccnc(C(=O)N2CCN(c3cc(C)c(-c4cc(C)cc(C)c4)cn3)CC2)c1"]
["62471979","Cc1cc(C)cc(CC(N)c2cnc3ccccc3c2)c1"]
["184165034","C=PN/C=C1\\CCC(C=NP)=C1N(P)P=C"]
["152689185","O=C1CCC/C1=C/Nc1ccc(F)c(Cl)c1"]
["79803100","CN(C)/C=C1\\CCC(C=O)=C1Cl"]
["26649945","C=CC1=C(C=C)CC1"]
["54035492","BrC1=C(C=Nc2ccccc2)CCC/C1=C\\Nc1ccccc1"]
["52046501","C(=Nc1ccccc1)C1=C(c2ccccc2)/C(=C/Nc2ccccc2)CC1"]
["180712932","PCNC1(CC=C2CC2)CC1"]
["55565765","C=CCN=C(S)NN=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2)CC1"]
["165847245","C=CC1=C(CO)/C(=C\\C)CC1"]
["173717438","C=PNC=C1C=C(C=Nc2ccccc2)CCC1"]
["84203272","C=CCN=C(S)NN=CC1=C(N2CCOCC2)/C(=C\\c2ccc(Cl)cc2)CC1"]
["174102681","C=C(C)C(N)=C1CCC(C=NC)=C(NC)C1=NC"]
["198510402","C1=C2C=C(CC1)C1=NC(=NCC1)NC1=CCCC(=C1)COC/C=C/COC2"]
["188806592","C[C@H]1C[C@@]2(C[C@@H](c3cn(CC4CCC(O)=NC4)nn3)N1)OC[C@@H](O)c1cc(Cl)sc12"]
["169814096","CCc1cc(NC(=O)[NH+]([O-])S(=O)(=O)N(c2cnn(C)c2)C2CCOCC2)cc(CC)c1F"]
["176220201","C[C@@H]1CCCN1.N=C(N)/C(C(=N)O)=C(\\N)C1CCc2ccccc2C1"]
["165008393","COc1cc2c([N+](=O)[O-])cc1COC/C=C\\COC(=O)CCCCCN=C(O)OCC2C"]
["29962915","C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@H]1C2=CC[C@@H](C(F)(F)F)[C@@H]1c1ncc[nH]1"]
["29056234","CC(C)N(CCOc1ccc(C(=O)C2=CCCc3ccccc32)cc1)C(C)C"]
["185473242","C1=C2OCCN=C2NC(N2CCOCC2)=N1"]
["31119273","O=S(=O)(C1=CC=C(C(CC2CCOCC2)c2ccc(-c3ccc(F)cn3)[nH]2)CC1)C1CC1"]
["113365004","O=c1c2c(nc3cc[nH]n13)CCOC2"]
["133734672","Cc1c(C(=O)N2CSCC2C(=O)N(C)C(C)C)cnn1C1CCCC1"]
["149550608","CC1=C(CN)C=C2CCN=C2N1"]
["188818785","C=C(/N=C(\\C)N(CP(=O)(C1CCCCCC1)C1CCCCCC1)C(C)(C)[PH](=O)C1CCCCCC1)NCP(C1CCCCCC1)C1CCCCCC1"]
["79695151","C1CCC(P(CCP(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[Ni]"]
["119158327","CN=C(NCCOC1CCCCCC1)NCC1CN2CCN1CC2"]
["118945892","CN=C(NCC(C)(C)CCS(C)(=O)=O)NC(C)c1ccc(F)c(F)c1.I"]
["136599603","CC(C)(CNC(O)=NCC1CCCOC1)C1CCCCC1"]
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["132143957","CCN(CC)C1CCN(C(=O)CC2CCCCCC2)C1"]
["129775891","CC(C)(C)N=C(O)c1ccccc1NC(=O)C(=O)NC1CCCCCC1"]
["174777147","CCNCCN(CC)C(=O)C1CCCCC1"]
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["113640170","C=C(CSC1CCCCC1)[B-](F)(F)F"]
["178189320","NC1CCCC2CCC(SC3CCCCC3)CC12"]
["44159416","COC(=O)C(CCSC1CCCCC1)NC1CC1"]
["87930968","BrCc1cnc(CSC2CCCCC2)s1"]
["85080602","CCOCC(=O)CSC1CCCCC1"]
["34585743","O=C/C(F)=C/SC1CCCCC1"]
["111097333","O[C@H]1CCC[C@@H]1SC1CCCCC1"]
["199193219","CC1NOC(C)C1C(O)=NC1CCC(OC2CCCCC2C(F)(F)F)C(F)C1"]
["55037993","CNC(CSC1CCCCC1)c1ccccc1"]
["185663237","Oc1ccc(CSC2CCCCC2)cc1"]
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["178867751","CNC1=[C-]C2=IC(C)(C)C(C)(C)I=C2[CH-]C1"]
["112025452","CC(C)n1cc(CNC2CCCCC2(C)C)cn1"]
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["161943303","C/C=C(\\C=C/NC)C1(C)CC(C)(C)c2ccccc21"]
["94775626","CNc1ccc(Cl)cc1C(=O)N1CC(CO)OC(C)(C)C1"]
["178454280","CNC1CC2(C)C[C@]12C"]
["156331911","CC1(C)CC(NC2CON=C2O)C1"]
["86758174","CC12CCC(C1)C(C)(C)C2NC1CCc2sc(Cl)cc21"]
["144834591","CC1(C)CC(c2ccc(Cl)cc2)CN1"]
["112747382","CNc1ccc(C)cc1C(O)=NC1CC(OC)C1(C)C"]
["102902051","[NH3+]OS(=O)(=O)c1ccc2c(c1)C1=NC2=CC2=[NH+]C(=CC3=[NH+]C(=CC4=[NH+]C(=C1)c1ccc(S(=O)(=O)O[NH3+])cc14)c1ccc(S([O])(=O)=O)cc13)c1ccc(S(=O)(=O)O[NH3+])cc12"]
["26661610","CS(=O)(=O)OCCC1=C(CCOS(C)(=O)=O)c2cc(Br)ccc2Sc2ccccc21"]
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["160581811","CS(=O)(=O)c1ccc(N2CC3COCC(C2)O3)nc1"]
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["19396321","CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(O)=N3)c1"]
["158934728","O=C1CCCc2ccc(S(=O)(=O)N=C(O)[C@H]3CC=CCC3)cc21"]
["124075379","O=S(=O)(Oc1ccccc1OC(F)F)c1ccc(Cl)nc1"]
["60447675","CCN(Cc1ccccc1)C(=O)C1=NC(=C2C=C(Cl)C(=O)C(Cl)=C2)NO1"]
["21745667","Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O"]
["44294600","CC1=C/C(=N\\OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(Br)C(Br)C1=O"]
["175541175","C=C[Si](C=C)(C=C)C=C[SiH2]C=C[SiH2]C=C[Si](C=C)(C=C)C=C"]
["79032237","C=C[Si](C=C)(NC(C)C)NC(C)C"]
["52037557","C=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O.CCC[Si](OC)(OC)OC"]
["78538393","C=C[C@H](C)F"]
["185301798","C=C[SiH2][Si](C)(C)C"]
["84071591","C=C[Si](C)(c1ccccn1)c1ccccn1"]
["171453920","C=C[Si](C=C)(C=C)C=CCC"]
["53235266","C=C[Si](C)(O)O[Ge](C)C.O"]
["194178175","C=C[Si](C)(C)O[Si](C)(C=C)O[Si](C)(C)C=C.C=C[Si](C)(C)O[Si](C)(C=C)O[Si](C)(C)C=C"]
["193725745","C=C[Si](OC(C)C)(OC(C)C)OC(C)C.OC(C(F)(F)F)C(F)(F)F"]
["54501507","C=C[Si](OC(C)(C)OC)(OC(C)(C)OC)OC(C)(C)OC"]
["177014540","C=C[Si-2](F)(F)(F)(F)F.[K+].[K+]"]
["59104033","[B+]N[c-]1cc[c-](N[B+])[cH-][cH-]1"]
["179668395","O=C(O[I+]O)[c-]1cc[c-](C(=O)O[I+]O)[cH-][cH-]1"]
["185027141","O=C(O)[Cl+]C[c-]1cc[c-](C[Cl+]C(=O)O)[cH-][cH-]1"]
["195470715","Cc1cc[c-](C)c1C.Cc1cc[c-](C)c1C.[Hf]"]
["182445925","Cc1cc[c-](C)c1C.[Er]"]
["183399917","Cc1cc[c-](C)c1C.[Pt]"]
["173967618","[B]=C1N=C(C(C)(C)C)N[C-]1N[B+]"]
["79421272","CC(C)[c-]1ccc(=[P-])cc1.[Li+].[Li+]"]
["168718462","CC(=O)[c-]1cccc1.C[c-]1[cH-][cH-][c-](C)[cH-]1.[Fe]"]
["177052782","[B+]=[O+][C-]1C=[C-][CH-][C-]=C1.[Y].[Y]"]
["79421160","CC(C)[c-]1ccc(=[P-])cc1.[K+].[K+]"]
["55819305","Cc1cc[c-](C)c1C.[Rb+]"]
["78483685","[C]1=C/C=C\\C2C=CC=CC2C2C=CC=CC12"]
["178424573","C1=CC2/C=C/C=C/C=C/SC2C=C1"]
["151970218","CO[C@@H]1O[C@H](C2(N)CCCCC2)[C@@H]2C=CC=C[C@@H]12"]
["62541621","C1=CC=CC2C=CC=CC2C=C1"]
["51065934","CC(C)C1C(O)=NC2C=CC=CC21"]
["151031272","ClC1=C[C@@H]2[C@@H]1[C@@H]1C=C/C=C/[C@@H]2C=C1"]
["184776795","CC1CC([Si](C)(C)C)C2C=CC=CC12"]
["108937929","O=C(Cl)C(=O)C1[C@H]2C=CC=CC=C[C@H]12"]
["73724506","[C]1=CC=CC2CCSC12"]
["162282623","OC1C=CC2C=CC=CC1C2O"]
["78483641","C1=C/C=C\\C2C=CC=CC2C2=CC=C[CH]C=12"]
["54203479","C[Si](C)(Cl)C1CCC2C=CC=CC21"]
["CSSS00084894690","CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1"]
["87196097","CCCCN(C)S(=O)(=O)N1CCOC(CNC)C1"]
["124297872","CC(C)(C)OC(=O)N1CCCC1C1CCCC1NCCN1CCOC(C)(C)C1"]
["122325155","CC(C)OC(=O)c1cccnc1NCCN1CCOC(C)(C)C1"]
["158892738","C[C@H](O)C[C@H]1CCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1"]
["146436139","CCN(C)S(=O)(=O)N1CCCCC1C(C)N"]
["149091548","COC(C)(C)CNS(=O)(=O)N1CCOC1=O"]
["140984475","CC(C)c1nnc2n1CC(N=C(O)N1CCOC(C)(C)C1)CC2"]
["64485729","NS(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1"]
["21051580","Cc1cccc(CNCc2ccccc2CS(=O)(=O)N2CCOCC2)c1C"]
["115134523","CCCNC(CN1CCOC(C)(C)C1)c1ccccc1F"]
["140859240","CCCN(CCC)S(=O)(=O)N1CCCC1C"]
["57612117","NCN(CNI=O)I=NCO"]
["86054815","CC(CCN)C(O)=Nc1ccccc1C(=O)N(C)C"]
["124098801","CC=CCC(CO)NC(O)=NCCC(=O)N(C)C"]
["51561302","CCN(CC)CC(O)CNCCN"]
["68183842","CCN(CC)CC(C)NC(=O)C(=O)NCCN"]
["67522382","NCC(O)=NCC(=O)N(CC(=O)O)CC1CC1"]
["52029941","CC(NC(=O)c1cc(=NN)cc[nH]1)C(=N)O"]
["115417337","CN(CCO)C(=O)C(=O)N(C=O)CCCN"]
["87492204","CNS(=O)(=O)c1ccccc1N=C(O)CC(N)C(C)C"]
["195758265","CC(=O)C(C)O[C@H](C)C(=O)C(C)NCCN"]
["78221960","CCCN(CN)CCC(=O)O"]
["33604549","NCCN/C(=C\\C(=O)c1ccc(Cl)cc1)c1ccccc1"]
["167429005","C1=NOS2=C1C=NS2"]
["172295906","BrC1=C[Se](Br)c2nnsc21"]
["167324711","CC1=C(C(C)(C)C)SS2=C1C=NO2"]
["97438249","CSC1=C(Cc2ccccc2)C2=S(ON=C2)S1"]
["97350860","C1=NO[C@H](c2ccccc2)[C@@H]1c1ccccc1"]
["75105832","[c]1nnc(-c2ncns2)s1"]
["66208381","Cc1ccsc1-c1noc(Cl)n1"]
["53358805","NC1CCCc2sc(-c3cc(F)cc(F)c3)nc21"]
["185526050","COc1nc(-c2ccccc2)sc1OC"]
["26248140","C1=NOOS1"]
["113677394","FC(F)(F)c1ncc(CCCBr)s1"]
["171384296","COc1ccc2c(c1)C=NOC=N2"]
["79918638","C#CCc1c(Cl)c(Cl)c(I)c(Cl)c1Oc1c(Cl)c(I)c(Cl)c(Cl)c1CC#C"]
["183676308","CCCOC(OCC)(Oc1c(Cl)c(Br)c(I)c([O-])c1OC)C(=O)O"]
["102555861","C#CCOc1c(C(=O)O)cc(F)cc1[N+](=O)[O-]"]
["185591201","N#Cc1cc(N)cc(N)c1Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["59392890","C#CCCC(O)Cc1c(Cl)cccc1Cl"]
["93344489","C#CCC(CC)NC(C)c1ccc(Cl)c(Cl)c1"]
["145424523","FC(F)Oc1cc(I)cc(Cl)c1Cl"]
["197336550","C#CCCc1c(Br)cncc1OC"]
["162681392","N#CCc1cc2cc(Cl)cc(I)c2s1"]
["156520834","C#CC[C@@H](NN)c1cccc(Cl)c1Cl"]
["157885449","C#CCCn1cnc(I)c1I"]
["97995138","C#CCOC1=C=C[C](C)C=C1"]
["100247419","N=NN=NN(N=[N+]=N)C1C=CC=NN1"]
["182919735","N=C(N)C1C=CC=NO1"]
["182396142","Cc1ccc(N(N=NN=N)c2ccc(C)cc2)cc1"]
["45087447","O=C(O)C1C=CC=NN1"]
["182344904","[N-]=[N+]=NC1=NNN=CC=C1"]
["77597816","COCCN=C(O)C1C=CC=NC1=S"]
["183773847","[N-]=[N+]=NC1CCc2n[nH]cc21"]
["69752348","S=C1N=CC=CC1Cl"]
["169770150","[CH]1NN=C[Se]1"]
["183417760","[N-]=[N+]=Nc1cccc2c1C=CC=NN2"]
["1928306","N=C(O)c1cc2c(nc1C1=CC=C[C@H]3N=CC=C13)CCC2"]
["80200250","OC(=NC1CCc2cc(F)ccc21)C1C=CC=NC1=S"]
["184381643","CCCC12C3C4C5C6C7[C@H]1C(C(C)C)C18C2C32C43C54C65C71C16C79C%10C%11C%12CC%117[C@@]81C21CC27C%12C8C%10C9%10C82C4(C731)[C@]%1056"]
["178576895","CCCC1C2C3CC24C(C)(CC)CC2(C)C(C)(C3CC)C124"]
["178567811","CCCC12CC3C4CC5C6CCC7(C)C54C31C71C6(C)C(C)(C(C)CC)C21C"]
["180390583","CCC1CCC(CC23C=CC4(CCS)CC2(C25CC(C)(C2C)C5C(C)C)C43)CC1"]
["180086738","CCCc1ccc2c(c1)-n1ccc3[n+]1[C@@](C)(CC3CC)C2(C)C"]
["62475556","CCCC1(C(O)=Nc2cnn(C(C)C)c2)CCNCC1"]
["82195344","CCCC(CCC)C1CCC(CC)C2C(O)C3C(C)C4(CC)C(O)C(CC)C(CC)C(C(C)C)C4(C)CC3(C)CC12"]
["111926777","CCCNC1(CC(=O)OC)CC(C(C)C)C1"]
["100325271","CC[CH+]C1C(CC)C1C1(C)N(C(C)CC)[C-](C)[N+]1(C)CCC"]
["179447987","CC12C3CC4C5C6CC7C8C9C%10C%11C%12C%13C%14CC%15C%16CC%17C%18C%19C%20C%21C%22C3C13C%221CC%22%23C%11(C%12%11CC3(C%16%142)C%15%13%11)C%102C93C89C67C56C4%17C%184C%195C%20(C%211%22)C%232C35C694"]
["184149216","CCCCC1C2C(C)C(C)C1(CC(C)C)C2C(C)C"]
["49825554","CCCC1(C)CC(C)CC(C(C)C)C1"]
["172923885","C=C(C[NH2+]Cc1ccc2ccc3c4c2c1C=C[C+]4C=C=C3)N=[N+]=NCCN1C=c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)=C1)c64)=CN(CCn1cc(CNCc2ccc3ccc4cccc6ccc2c3c46)nn1)C=5"]
["134013780","N#Cc1cccc(CNCc2cn(Cc3cccnc3)nn2)c1"]
["60217563","CCCNCc1cn(CCN(C)CC(F)(F)F)nn1"]
["CSSS14948290867","OC(=NCCc1cn(C[C@@H]2C[C@H]2C(F)(F)F)nn1)C(Cc1ccccc1)NCC1OCCCO1"]
["153836686","Cc1ccc2c(c1)[C@@H](O)C(=O)N2CCn1cc(COc2ccc(CNNc3ccnc4cc(Cl)ccc34)cc2)nn1"]
["177763312","O=P(O)(O)c1ccc(OCCCCc2ccc3ccc4cccc5ccc2c3c45)cc1"]
["164577159","CCCCCCOc1cc(C(O)=NC(CC(=N)O)C(O)=NCc2ccc3ccc4cccc5ccc2c3c45)cc(C(O)=NC(CC(=N)O)C(O)=NCc2ccc3ccc4cccc5ccc2c3c45)c1"]
["101157741","c1ccc(CN(CCc2ccc3ccc4cccc5ccc2c3c45)Cc2ccccn2)nc1"]
["86237849","CC1(CNCc2cn(CCO)nn2)CCCS1"]
["114145503","CC(C)(C)OC(O)=NC/C=C/CNCc1cn(CCCO)nn1"]
["169193379","N#CC(C#N)Cc1ccc2ccc3cccc4ccc1c2c34"]
["20013065","CCN=C(O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1"]
["178567511","CN=C(O)C1=C(C(=O)O)C=C(C(O)=NC2C=CC(C(C)(C)C(C)(C)N=C(O)C3C(C(=O)O)C(C(O)=NC4C=CC(C)CC4)C3C(=O)O)CC2)C(C(=O)O)C1"]
["82955399","CC1CC(C)CC(C)C(O)C(C(=O)O)=CC=CCC(C2CCCC2C(=O)O)OC(=O)CC(O)C(C)C1"]
["58774955","CC1CC1N=c1ccc(C(=O)O)n[nH]1"]
["126863532","CC1CC(C)CN(C(=O)C(C)N2CCC(N=C(O)Nc3ccc(F)cc3)C2)C1"]
["113145723","CN1CCC(N=C(O)[C@H]2C3C=CC(C3)[C@H]2C(=O)O)C1=O"]
["188927990","CC(C)(C)N=C(O)c1cc(COC(C)(C)C)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)C[C@H]1O"]
["195088221","CNC(=N)N1CC[C@H]2C=C[C@@H]3[C@@H](O)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@]52C1"]
["9222980","CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@H](C(O)=NC2CCCCCC2)[C@@H]3C1=O"]
["146722490","O=C(O)C1CCCC(C(O)=NC2CCCOc3ccc(F)cc32)C1"]
["150715134","CC(C)(C)OC(O)=Nc1ccc(C2C[C@H]3CC[C@@H]2CC[C@@H]2CC[C@H](CC3)C(c3ccc(N=C(O)OC(C)(C)C)c(N=C(O)OC(C)(C)C)c3)C2)cc1N=C(O)OC(C)(C)C"]
["109349206","O=C(O)c1ccc(N=C(O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@@H]2C3)cc1Cl"]
["77080980","CN=C(O)C1C(C)C=CC2C1C(=O)N(CCO)C2C(O)=Nc1c(C)cccc1Cl"]
["178173614","[Al].[CH2]N1CCN(CC2=ICC=Cc3[nH]c(=N)[nH]c(=N)c3[N-]2)CC1"]
["27375840","COC(=O)c1ccccc1OC1CCN(C(=O)C2(F)CCN(Cc3cc[nH]c(=N)c3)CC2)CC1"]
["26883395","O=C(O)c1cc2cc(OCC(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)ccc2[nH]1"]
["22715283","C=CCc1ccccc1OCC(O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1.Cl.Cl"]
["162448898","N=c1[nH]c(N2CC=CCC2)ncc1F"]
["168430403","CCCCCOC1NC2=C(N=C(O)CN2Cc2cccc(CN3CCCC3)c2)C(=N)N1I"]
["84446948","Cc1cc(N(C)CC2CCN(C)C2)nc(=N)[nH]1"]
["178713124","C=CC=N/C=C/n1c([C@H](CC)Cc2[nH]c(=N)[nH]c(=N)c2C#N)nc2c(F)ccc(Br)c2c1=O"]
["192358286","CC1=NC2=C(C1)CN(Cc1ccc(=N)[nH]c1)CC2"]
["281689","CN1CCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)CC1"]
["178460127","CCCCCN=c1[nH]c(=N)[nH]c2ccn(Cc3ccc(CN4CCN(C(=O)CONC(C)=C(C)CCC)CC4)cc3OC)c12.[Al+]"]
["147289196","N=c1[nH]cc(CN2CCN(C3CCCCC3)CC2)s1"]
["78360689","C=C1C2=C=C3C4=C5C6(C7(C)C8C9=C%10C%11%12C(=CC%13%14C=C%15CCCC%16=CC%17=C%18C%15=C(C%15=C%13C%11(C)C%15=C9%12)C(=C%14C)C%18C%16%17)C=C(C9C=C%11C%12=C%13C%11C%11(C)C=c%14c%15c%16c%17c-%15c%14=C(C)C%13(CC%16(C)C%17)C%11=C(C%12C)C9%11C=C=C%11C)C%1087)CC7=C(C)C4(C24C(=C2C1=C1C8=C9CC%10=CC%11C%12=C2C1(C)C8%12C%109%11)OC34)C756"]
["188657976","C=C1CC[C@H](O)[C@@](C)(CCC=C(C)C)[C@@H]1CC[C@]1(C)CCCC2=C1CC[C@H](C)[C@@]2(C)Cc1cc(OS(=O)(=O)O)ccc1O"]
["153469060","CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@H]1[C@@H]1CNC[C@@H]12"]
["195089456","CCOC(=O)C1=C(C=O)C2=C3CCC(=O)C(C3)c3cc4c(cc3CCC(CO)COc3c5c(c(CO)c(c32)O1)OC(C1(O)CC=CC2C(CC)N(CCCOC)CCC21)C5)=NCC=4"]
["178763021","CC1(C)c2cc(-n3c4c(c5ccccc53)=CC(c3ccc5c(c3)C3CC(c6ccc7c(c6)c6c(n7C7=CCCCC7)CCCC6)C=CC3N5C3CC=C5OC6CCCCC6C6C5C63)CC=4)ccc2C2C=CC=CC21"]
["176722987","C=C1CC(N=C(O)C23CC2c2cc(OC)ccc2-c2c(C4CCCCC4)c4ccc(C(=N)O)cc4n2C3)CC(C)N1C.CN(C)S"]
["164278534","O=C(CCCC1(c2ccccc2)C2C3=CC4CC5=CC6CC7Cc8cc9c%10c%11c8C7C7=c8c%12c%13c%14c(c%15c(c=%10c%14c8-%11)C(C=9)CC%1521)C3=CC4(C%13)C5=C%12C76)OCCc1ccsc1"]
["178836476","C=C1C(C2CCC(c3nn(C(C)C)c(C4=Cc5cc(OC)ccc5-c5c(C6CCCCC6)c6ccc(C(O)=NS(=O)(=O)C(C)C)cc6n5C4)c3C(=O)N3C4C=C(C)CC3CC4)CC2)=C2c3ccc(OC)cc3C=C(C(=NI(C)C)C(I=N)=C(O)N3[C@@H]4CCC[C@H]3CC(C)(C)C4)C[N+]2(C)/C1=C/C(=C\\C)C(=O)NS(=O)(=O)C(C)C"]
["153944555","C=C1CC[C@H](O)[C@@](C)(CCC=C(C)C)[C@@H]1CC[C@@]1(C)CCCC2=C1CC[C@H](C)[C@@]2(C)Cc1cc(OS(=O)(=O)O)ccc1O"]
["74793984","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC.CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C"]
["76354368","CC(=O)OC1C(=O)C2(C)C(OC(=O)CN(C)C)CC3OCC3(OC(C)=O)C2C(OCc2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCC(=O)Oc3c(C)c(C)c4c(c3C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC4)C(NCc3ccccc3)c3ccccc3)C(C)=C1C2(C)C"]
["CNP0464031.1","CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@H](C3)c3cc4c(cc3CC[C@H](CO)COc3c5c(c(CO)c(c32)O1)O[C@H]([C@]1(O)[C@@H]2CCN(CCCOC)C[C@H]2C=C[C@H]1CCCO)C5)=NCC=4"]
["178652702","C[N+](C)=c1c2c(C(C)(C)C)cn(C(C)(C)C)c2ncn1CC(C)(C)c1nc(C(C)(C)C)n2cc[n+](CC(C)(C)N3C=C(C(C)(C)C)N4N=CC=C(C(C)(C)C)C43)c(C(C)(C)C)c12"]
["91611182","CC(C)(C)c1nc(N2CCC(F)(F)C2)c2ncn(Cc3nnnn3C3CC3)c2n1"]
["184381538","CC(C)(C)c1c(Br)ncn1CCC(C)(C)c1ccccc1N"]
["51336549","Cc1cccc(OC[C@@H](O)CSc2nc(C3CC3)nc3c2c([O-])nc(=O)n3C2CC2)c1"]
["85560187","Cc1ccc2nc(=NC3(CN)CCCC3)[nH]n2c1"]
["50059455","CC(=O)c1sc2ncn(C(C)(C)C)c(=O)c2c1C"]
["161449334","CC(C)(C)n1cnnc1-c1nc(CC(C)(C)n2cnnc2Nc2ccc(P(C)(C)=O)cc2)cs1"]
["MCULE-6441697704","CCN(CC)CCCCn1cc(OCC(O)=Nc2cc(C)ccc2C)c(=O)cc1CSC(C)(C)C"]
["89367958","Cc1cccn2c(C(C)(C)C)nc(CN)c12"]
["165266510","CC1=NONC1Cn1cnc2c(N3CCC4(COC4)C3)nc(C(C)(C)C)nc21"]
["187935105","Cc1nc(N2CC3(C(C)(C)O)CC2C3)cc(-n2ncc3cc(F)c([C@@]4(C#N)CC45CC5)cc32)n1"]
["170276191","Cc1[o+]c(C(C)(C)C)cn1CC(C)(C)c1c(C#N)cnn1C"]
["191712319","[2H]C([2H])([2H])n1cnc2c1c(=O)n(C([2H])([2H])C)c(=O)n2C.[2H]c1nc2c(c(=O)n(C([2H])([2H])C)c(=O)n2C([2H])([2H])[2H])n1C.[2H]c1nc2c(c(=O)n(CC)c(=O)n2C([2H])([2H])[2H])n1C([2H])([2H])[2H]"]
["103985927","CN1CCCC1=NC[C@H](O)CCn1cnc2c1c(=O)n(C)c(=O)n2C"]
["64081001","CCn1c(C=O)cnc1-c1ccccc1"]
["103624335","Cc1ccc(C)c(OC[C@@H](O)Cn2c(=O)c3c(ncn3CC(C)C)n(CC(C)C)c2=O)c1"]
["65399572","CCC(CC#N)NCc1cn(C)c(=O)n(C)c1=O"]
["169880665","CCCCOc1cc(N(CC)CC)ccc1C1(c2c(-c3ccccc3)n(CC)c3ccccc23)OC(=O)c2cccnc21"]
["8384949","Cc1cccc(N=C(O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1C"]
["200468819","Cl.Cl.[2H]C([2H])(Oc1ccc(N=c2nc3c(c[nH]2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1)C([2H])([2H])N(CC)CC"]
["MCULE-4177387635","CCOc1cccc(C2C(C(=O)N3CCCCC3)=C(N)Oc3c2c(=O)n(C)c(=O)n3C)c1"]
["117103007","CC(NCCCCCCCCCCn1cnc2c1c(=O)n(C)c(=O)n2C)C(O)c1ccccc1"]
["195492569","CN(C)Cn1cnc2c(c1=O)n(C)c(=O)n2C"]
["171551552","CCn1c(CC(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3ncc(C)s3)nc21"]
["178779779","[IH+]C1=CC=CC=C(Oc2cccc3c4cccc5c6ccccc6p(c23)[n+]54)CC1"]
["32272031","CC(C)OC(=O)C1(CBr)NCC(C)(C)c2c1[nH]c1ccccc21"]
["152485444","CCOc1ccc(-c2c3c([nH]c(=N)c2C#N)CCCC3)c2ccccc12"]
["120882656","CCC(C#N)Cc1c(C)[nH]c2ccccc12"]
["83577913","Cc1[nH]c2ccccc2c(=[NH2+])c1C(C)O"]
["87897325","Brc1c(C2CC2)[nH]c2ccccc12"]
["179131604","ON=C1C(c2c[nH]c3ccccc23)=NC2C=CC=CC12"]
["197801032","OCCOc1cc(N=c2[nH][nH]c3ccccc23)ncn1"]
["194067177","CCCN1Nc2c(c3ccccc3[nH]c2=N)C1(C)N"]
["137656021","CNC1CCCN(C(=O)COc2cccc3ccccc23)C1.Cl"]
["117429828","COc1cccc2c3c([nH]c12)CCN(C(=O)c1ccc(O)nn1)C3"]
["33283296","COCOC(c1cccc2c3ccccc3p(-c3ccccc3)c12)C(C)(C)C.[B]"]
["155747982","OC1=NC2=C(CC1)c1nc3nc(O)nc(O)c3cc1CC2"]
["21007000","Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3nc(O)nc([O-])c3c2)cc1C"]
["99549032","Oc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccccc12"]
["198849443","O=C(O)C1CC(=O)N(c2cccc(-c3ccc4c(c3)CCC(O)=N4)c2)C1"]
["138435547","Cc1cc(Cl)cc(N=C(O)c2cnc3nc(O)nc(O)c3c2)c1O"]
["120791060","O=C(O)CC(F)(F)Cc1ccc2c(c1)CCC(O)=N2"]
["86362481","Cc1nc(N)cc(N2CC(O)=NC(=O)C2(C)C)n1"]
["151235865","C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(O)=N3)C(C)(C)C1"]
["175402375","C=Cc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3CCC(O)=N4)CC2)n1"]
["CSSS01155482402","Cc1[nH]nc2c(C(O)=Nc3ccc4c(c3)N=C(O)CC4)cccc12"]
["155753439","CCCCCc1ccc2c(O)nc(O)nc2n1"]
["135066125","Cc1ccc(C(=O)N2CCc3c(C)cccc32)c(O)n1"]
["180586045","CC12C=C3CC45C=C6CC78CC9CC1%10CC1C%11CC3%12C%10(C)C7(C)C6%11C%12(C)C4(C)C91C5(C)C28C"]
["155888779","CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)N[C@@H](C)Cc3ccc(F)c(Br)c35)[C@@H]2C1"]
["75760425","CC(=O)/C1=C\\C(C)CCCC(C)C2CC(C)(C)C12"]
["185521120","C[C@]12C=CC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC(=O)C[C@@]3(CO)CC[C@@H]12"]
["70069406","CC1(C)CC2(C)Cc3ccccc3C2N=C1O"]
["102894601","CC1(C)C/C(=N/N)C2=C(C(O)=NN)C[C@@H](c3ccccc3)C[C@H]2C1"]
["29840771","C[C@]12CC[C@H]3[C@@H](CC=C4CCC[C@H](O)[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2O"]
["164490509","CC1(C)C[C@@H](Cc2ccccc2)N(NCc2ccccc2)[C@@H]1c1ccccc1"]
["184518825","CI(N=C1C[C@@H]2CC(F)(F)CN2C(C)(C)C1)c1ccccc1"]
["76814348","CC1CC2OC(=O)C3=CC(Br)CC(C1(C)CCc1c(Br)oc(Br)c1Br)C32C"]
["195424900","CC12C[C@H]1C[C@@H](C#N)N2c1cc(F)c(N2CCOCC2)s1"]
["94051789","CC1(C)CCC(NC2CC(c3cccc(Cl)c3)C2)C1"]
["83278583","N#[N+]N=C1N=C2C(=N)N=C(NN=N)N=C2N1C1OC(COP(=O)(O)OP(=O)([O-])OP(=O)(O)O)C(O)C1O"]
["168978248","C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OC(C)(C)C"]
["52223033","NCCCCC(N)C(O)=NCC#Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O"]
["153450682","N=C(O)C[C@@H](N=C(N)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O"]
["62673419","CC([O-])=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H](C=O)O[C@H](C=O)n2ccc([O-])nc2=O)O[C@H](CO)[C@@H](O)[C@@H]1O"]
["174621089","O=P(O)(O)OP(=O)(O)OP(=O)(O)O.OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O"]
["1058330","CCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc3c(-c4ccoc4)ncnc32)[C@H](O)[C@@H]1O)Oc1ccccc1"]
["CSSS15494679583","COc1cccc(COC(=O)C2CC3OC2C(O)C3O)c1Br"]
["186001844","CC1OC(=O)OC1COC(=O)C(C)(C)COS(=O)(=O)ON1C(=O)N2CC1CCC2C(=N)O"]
["188424021","CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCC/C=C/C=C\\C(O)C/C=C\\C/C=C\\CCCCC"]
["27288118","Cc1c2ccn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH+]c1ccc(O)cc12"]
["172541545","COCCOC1OC(COP(=O)(O)C(C)C)C(O)C(O)C1N=C(C)O"]
["190229619","CC(C)(C)C(CO)C(O)/C=C/CB(O)O.CC(C)(C)C1CCB2C/C=C/C3OB(C/C=C/C1O2)COC3C(C)(C)C"]
["42816021","COc1cc(C(=O)N2CCOC(CC(=O)O)C2)ccc1C"]
["125326798","Cc1nn(CC(C)C)c(C)c1CC(O)=NCC1CCCOC1C(C)(C)C"]
["159355661","CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@]4(C)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@]3(C)CC[C@]12C)C(C)C"]
["153496187","CCN(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2"]
["177515034","CC[C@@H](CO)N=c1[nH]oc2c(F)c(F)c(C3OCCO3)cc12"]
["85271987","CC1OCCC1C(O)=N[C@H](CO)C(C)C"]
["193117830","[B+]C(C)(C(=O)CNc1cc(CN2[CH]C=CC(/C=C/C(=O)CCCCCC3CCN(C(=O)c4cccc(C)c4)CC3)=C2)cc(C)c1OC1OCC(O)[C@H](O)[C@@H]1O)N1C(=O)C=CC1=O"]
["175215451","CC1=C(/C=C\\C(C)C2(C(=O)Nc3cc4cc(C(C)(C)CCO)n(C[C@@H]5COC(C)(C)O5)c4cc3F)CC2)OC(F)(F)O1"]
["59861042","CC(CO)Cc1cccc2c1O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)C(C)(C)Oc3ccccc3)[C@@H]21"]
["32902633","C/C(=C\\[C@@H](C)[C@H](O)C/C(C)=C/I)CO[Si](C)(C)C(C)(C)C"]
["74744348","C=C(C)/C(=C\\CC(N)C1CCC(C(C)N2CCOCC2)CC1)[C@H](C1C=CCCC1C)C(C)(C)C(=N)O"]
["179541397","CCC=C1CC(=CC(C)c2n[n-]c[n+]2[C-]=CC=ICOC2=C=C(Cl)C3CC3=C2)C1.[Cs+]"]
["98226255","CCC(NC1CCCCC1)c1cc(OCC[C@]23CCC4C(CC=C5CC(=O)CC[C@@]54C)C2CCC3O)ccn1"]
["MCULE-6315522168","CCC1CN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CCN1C(C)C"]
["29399840","Cc1[nH]c(=NCC2CC2)[nH]c(=NC2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2c(CC(C)C)nccc2s1"]
["64858776","CC(C)CNCc1ccc(COc2ccc(Cl)cc2)cc1"]
["29207033","CCC=C(CCCCC)C(=O)N(Cc1ccnc(OCCO)c1C)C1CC1"]
["178260982","CCCC(C)C1=CC2c3ccc4cc([Si](C)(C)C)cc5c4[n+]3C5(C3=COC(C)CC(C)O3)C3CCC(=C1)N23"]
["180491808","C=CC[C@@H](C[C@H](CC)OC1=CC(OCC)=Ic2c(Cl)cccc21)C(O)=N[C@]1(C(=O)OS(=O)(=O)OC2(C)CC2)CC1CC"]
["129149586","CCCCCN(Cc1ccc(Cl)cc1)C(O)=NC1CCCn2ncnc21"]
["74823730","CCC1c2nncn2-c2cnc(Cl)nc2N1C(C)C"]
["MCULE-6717486086","CCCCCC=CCCC(O)=Nc1cnc(Cl)nc1C"]
["119037960","CCC(C)NC(=N)NCCOc1ncc(Cl)cc1Cl.I"]
["191299865","O=C1c2c([O-])ccc([O-])c2C(=O)c2c(NCC[N+]3(O)CCC3)c(F)c(F)c(NCC[N+]3(O)CCC3)c21.O=C1c2c([O-])ccc([O-])c2C(=O)c2c(NCC[N+]3(O)CCC3)ccc(NCC[N+]3(O)CCC3)c21.O=C1c2c([OH2+])ccc([OH2+])c2C(=O)c2c([NH2+]CC[N+]3(O)CCCC3)ccc([NH2+]CC[N+]3(O)CCCC3)c21"]
["45477534","COc1ccc(S(=O)(=O)Nc2ccccc2C(=N)O)cc1N1CCCC1=O"]
["51987816","O=C1C=CC([N+](=O)[O-])=CC1=CNc1ccc2c(c1)OC1(CCCC1)O2"]
["127891963","N#Cc1ccc(NCCN2C(=O)Cc3ccccc32)c(F)c1"]
["6529139","COC(=O)c1cc(S(N)(=O)=O)ccc1NCCc1ccc(OC)c(OC)c1"]
["183109871","O=C([O-])c1cn2c3c(c(NCCNc4ccccn4)c(F)c(F)c3c1=O)OC[C@@H]2c1ccccc1"]
["62173396","O=[N+]([O-])c1ccc(F)cc1NCCSc1ccccc1"]
["141067174","CC(=O)N1C=Cc2ccccc2C1CC(O)=Nc1cccc(F)c1C"]
["130650233","CC(C)NC(=O)C(=O)N1CCN(CCc2ccc(F)c(F)c2)CC1"]
["77694691","CC1(c2ccc3c(c2)CCC3)N=C(O)N(CN2CCN(S(=O)(=O)c3ccc(C#[NH+])cc3)CC2)C1=O"]
["148448313","CC1(C)[C@H](C(=O)O)[C@@H]1C(O)=Nc1ccc(NCC2CCCO2)c(F)c1"]
["144386344","COCc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O"]
["172088961","CC(C)P1c2cc3cccnc3cc2N=c2cc3c(cc2P(C(C)C)c2cc4cccnc4cc2Nc2cc4ncccc4cc21)=CC=C[NH2+]3.[Cu+2].[NH2-]"]
["140539384","O=C(c1ccc(COc2ccc3ncccc3c2)cc1)N1CCCC1"]
["20729394","CC(C)N1CC[C@]1(C)C(O)=Nc1nccc2cccnc12"]
["29519471","COc1cc2nccc(Oc3cc4cccnc4cc3C)c2cc1OC"]
["74020439","[CH2]CCCCOc1cccc2ncccc12"]
["76039747","Cc1c(C=O)nc2c3cccnc3ccn12"]
["5179249","C[C@H](c1cccnc1)N(C)C(=O)C1CCN(c2nc3ccccc3s2)CC1"]
["104276801","CNC1CCC2(CC1)CN(Cc1ccc3ncccc3c1)Cc1ccccc1O2"]
["23127865","O=C(c1cccs1)C1C(c2ccc3ncccc3c2)N=C(O)NC1(O)C(F)(F)F"]
["117072341","CC(=O)N1[C@@H](CNC(=O)c2ccc3ncccc3c2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12"]
["31220617","N#Cc1ccc2c(c1)c(-c1ccc3ncccc3c1)nn2C1CCCCO1"]
["140100468","O=C(NC1CCC(O)(c2cccnc2)CC1)C(O)=Nc1ccc2ncccc2c1"]
["180817936","C1=CC2=[I+]34=c5ccsc5=C5C=CC6=C(CCC7(C=CC8=C(C=CC(=C2C1)N83)C7)C6)N54"]
["67809168","N=C(O)OC12CC=CC[C@@H]1CCc1sccc12"]
["31534304","COc1cc(C)c2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CCN(C)C2C#N"]
["69779683","C1=CC23CC1=C2N1C=NCN1C3"]
["76983761","CCOC(=O)C=C1C=CC2(CC1)CCN(P)CC2"]
["59827807","CC[C@]1(O)C[C@H]2CN(CCC3=C([B]c4ccc(CNC(C)C)cc43)[C@@](C(=O)OC)(C3C=C4C(=CC3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1"]
["78345116","C1=CC2=C(C=Cc3ccccc3N2c2ccc3c(-c4cccs4)c(-c4cccs4)c4ccc(N5c6ccccc6C=Cc6ccccc65)cc4c3c2)CC1"]
["53171805","CCCCN1CC=C[C@]23S[C@@]4(C)C=CCN(CCC)C(=O)[C@H]4[C@H]2C(=O)N(CCCCO)C3C1=O"]
["145678238","CC1(C)OB(N2C=C(I)C=CC2)OC1(C)C"]
["160684367","CC(C)C1N(C(O)=N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC12CCC2"]
["173232197","CC1(C)C=CC2=C3C(=C1)CCN3C(=O)CC2"]
["109463181","Cc1ccc(Cn2c(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc3ccsc32)cc1"]
["48682194","CC(C)(C)N=NC1(NSC(O)=NN=C(O)NN=C(O)SNC2(N=NC(C)(C)C)CCCCC2)CCCCC1"]
["185001753","CN=CC1(c2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCCCC1"]
["112067825","CC1(CN=C(O)C(C)(C)N)CCCCC1"]
["165695384","CC(C)(C)OC(O)=NC1(CN=c2[nH]cncc2Cl)CCCCC1"]
["93205861","CC(C)(C)C(Cn1ccnc1)N=C(O)C1(CN)CCCC1"]
["163574826","O=[S+]1([O-])CCC(N=C(O)C2(n3cnnn3)CCCCC2)C1"]
["131618005","CCOC(C)C(O)=NCC1(CC(C)C)CCCC1"]
["93559825","CCOC(=O)c1cnn(C)c1CNCC1(O)CCCCC1"]
["100366874","C/C=C(\\C=N/[C@]1(NC2(c3cccc(F)c3)CCCCC2)CC1C)C(=C/C)/NO"]
["127092584","CN=C(O)c1ccc(N=C(O)NC2(C)CCCCC2)cc1Cl"]
["178118596","C#CCCC(N=C(O)[C@@H]1C2[I+]C(C)(C)C2CN1C(=O)[C@@H](N=C(O)NC1(CS([O-])(O)c2ccccc2)CCCCC1)C(C)(C)C)C(=O)C(O)=NCC=C"]
["139313392","CC(O)=NC1(C(=O)N(C)CCN(C)C)CCCCC1"]
["32312494","CN(C)C=c1ccccc1=[Si](c1ccccc1CN(C)C)[Si-](=C1[CH-]C=CC=C1CN(C)C)(c1ccccc1CN(C)C)[Si](c1ccccc1CN(C)C)=c1ccccc1=CN(C)C.[Li+].[Li+]"]
["113243031","CNCCc1ccccc1C(O)=NC(CCO)C(C)C"]
["MCULE-3504051109","COc1cc(OC)c(C(O)=Nc2ncc(-c3ccccc3CN(C)C)cc2OC)cc1OC"]
["137327237","COc1cc(C(O)=NCc2ccccc2CN(C)C)cc(OC)c1OC(F)F"]
["129896495","COCc1ccsc1C(O)=NCc1ccccc1CN(C)C"]
["42203597","CNCCCC(O)=NCc1ccccc1CN(C)C"]
["MCULE-8993669775","COc1ccc(C(O)=Nc2cc(-c3ccccc3CN(C)C)c(F)cc2C)c(C)c1"]
["46872155","CN(C)Cc1ccccc1N=C(O)CC1CCCNC1"]
["96583148","CN(C)Cc1cccc2cccc([SiH](Cl)c3ccccc3)c12"]
["166882996","CN(C)Cc1ccccc1CN(C)c1nccnc1N(C)C"]
["MCULE-4974763054","COc1nc(-c2ccccc2CN(C)C)cnc1N=C(O)c1cccnc1"]
["MCULE-5322907874","Cc1csc(C)c1N=C(O)c1cc(-c2ccccc2CN(C)C)cc([N+](=O)[O-])c1C"]
["180229022","CCOc1c(C(C)(C)C)c2n3c1=NC1=C(C(C)(C)C)C(=[O+]CC(F)(F)F)C(=[N+]=c4c(C(C)(C)C)c(OCC(F)(F)F)c5n4C3n3c(c(OCC(F)(F)F)c(C(C)(C)C)c3N=5)N=2)N1C=O"]
["154558432","CCOc1cc([C@H](C2=C(O)N=N[C@H]2C)C2=C(O)N=N[C@@H]2C)ccc1OC(=O)c1ccc(C(C)(C)C)cc1"]
["30720906","CCCc1cc(CCC)c(OCC(F)(F)F)c(-c2cccc3sc(C(C)=CC(=O)O)cc23)c1"]
["99106147","CCCC1CC(=O)C2=C(C1)N=C(C)C(C#N)C2c1cc(Br)c(OCc2cccnc2)c(OCC(F)F)c1"]
["151103695","CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1"]
["27396501","CCOc1ccc(C(F)(F)F)cc1-c1ncnc2c(C(O)=NC3CCN(C(=O)CO)CC3)c(C)[nH]c12"]
["73728053","CC(C)(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4N=C3O)CC2)SC1c1cccc(F)c1N1CCC(O)C1"]
["189227826","CC([SiH3])(COCCC(=O)N1CCN2c3ncc(F)cc3OCC2C1)Nc1cnnc(O)c1C(F)(F)F"]
["MCULE-7051678723","CCC(c1ccc(OC)c(C)c1)n1nc(C(F)(F)F)c(C=O)c1N"]
["83167305","CCOc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](n3nc(CC(=O)O)c4ccc(C(F)(F)F)cc43)C2)nn1"]
["177447025","CCOc1c(C(O)=N[C@H](c2ccc(F)c(C)c2)C2CC2)cc(CBr)cc1-c1cn(C)nc1C(F)(F)F"]
["135514796","CCOC1CCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1"]
["178950415","CNC(=NC1CCNC=C1C1CCC=C(F)C1)C1=NC(N)C2N=IC(c3cncc(NC([O-])C(F)(F)F)c3)C=C12"]
["96099988","CNc1cncc(N2CCC(C(C)O)C2)c1"]
["179851041","CCCCC(O)=Nc1cncc(C2C=c3c(-c4nc5c(N6CCCCC6)cccc5[nH]4)n[nH]c3=NC2)c1"]
["191305567","CC(C)Nc1cncc(-c2ccc3nnc(CC(=O)C4CCN(CCF)CC4)cc3c2)n1"]
["165166568","COCC(C)(C)Nc1cc(C(F)(F)F)cnc1C(O)=NN=C(O)OC(C)(C)C"]
["110290476","COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1"]
["150341630","CCCCN1C=CC(N2NCCC2C)=C(N=C(O)C(C(N)N)C2N(C)C=C(F)C=[N+]2C(C)CC)C1"]
["184982718","CNc1cnccc1C1CCC(N2CC(N=C(O)CNc3nc[n+](Cc4ccc(C5(O)CCC(N6CC(N=C(O)CN=c7[nH]cnc8ccc(C(F)(F)F)cc78)C6)CC5)cn4)c4ccc(C(F)(F)F)cc34)C2)CC1"]
["188022222","CN[C@@H](C)C(O)=N[C@@H](CCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCC[C@H](N=C(O)[C@H](C)NC)C(=O)N3CCC[C@H]3c3cncc(C(=O)c4ccc(F)cc4)c3)cc2)cc1)CN1CCC[C@H]1c1cncc(C(=O)c2ccc(F)cc2)c1"]
["149764490","CC1CCCC(n2cnc(-c3cc(Cl)ccc3N=C(O)C(F)(F)F)cc2=O)c2cc(ccn2)-c2c(cnn2C)N=C1O"]
["73924400","CN(C)Cc1ccc(C2c3nnc(O)c4cc(F)cc(c34)NC2c2ccncc2)cc1"]
["177698244","Cc1cc(C#N)ccc1N[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C)C(F)(F)F"]
["182982477","[N-]=NN=S=c1[nH]sc(SC2=NC(=C3C=CC=[NH+]3)C=N2)c1Sc1n[nH]c(Sc2cccs2)c1Sc1cccs1"]
["62310496","CCNC(C)c1ccc(Sc2cccs2)cc1"]
["73579444","O=C1CC[C@@H](Oc2nc3cc(Cl)ccc3nc2-c2cccs2)N2C(=O)C[C@H](C(=O)O)[C@H]2/C=N\\C2=C(CCCC[C@@H]1N=C(O)OC1CCCC1)C2"]
["31519143","O=C(c1ccccc1)c1ccc(Sc2cccs2)s1"]
["54558759","CC(N)C(Sc1cccs1)c1ccccn1"]
["19826099","CCCCSC1=NC(=O)[C@H]2C(=N1)N=C(C)/C(=C(/[O-])OC(C)C)[C@H]2c1cccs1"]
["46838238","Cc1cc(Sc2cccs2)ccc1CNC(C)(C)C"]
["48734650","C=CCSc1nc(O)c2c(n1)NC1=CCCC(=O)[C@@H]1[C@H]2c1cccs1"]
["61142005","Cc1[nH]nc(-c2cccs2)c1N=C(O)C1CCCC1"]
["175506912","OC1=Nc2cc[nH]c2C1.c1ccsc1.c1csc(Sc2cccs2)c1"]
["61458311","O=Cc1ccc(Sc2cccs2)cc1"]
["181022883","[N-]=N[N+]#SC1SC(Sc2nn[nH]n2)=C(Sc2cccs2)C(c2nccs2)=C1c1sc(Sc2nncs2)c(-c2cccc[n+]2[O-])c1Sc1cnsn1"]
["182845657","N=C1C(=NBr)C(=O)C(=O)C(Cl)(Cl)C1(Cl)Cl"]
["47126892","Cc1ccc(Cl)c2c1NC(=O)C2=Nc1ccc(Br)cc1"]
["17111822","C[C@H]1C(=O)[C@H](C)C(=S)SC1=S"]
["99510060","CC1(C)CO/C(=C2/SC(Br)=C(Br)C2=O)N1"]
["MCULE-7836291368","O=Cc1cc(Cl)ccc1C1CC1CO"]
["194738637","CON=Cc1c[nH]c2[nH]c(=N)[n-]c(=O)c12.[Pd]"]
["180512747","CC1C(=N)OC(C)(C)OC1=O"]
["25519367","O=C1CC(Cl)(Cl)C(Cl)(Br)C1(Br)Br"]
["58121819","CC12CCC(C(=N)O)(C(=O)/C1=N\\O)C2(C)C"]
["147722362","O=C1OC(Cl)(I)C(Br)=C1Br"]
["179262158","CC1C=C(N=C=O)C=CC1(C)Cl"]
["102864022","O=C1[C@@H]2[C@@H]3C(=O)[C@@H]4[C@@H]1[C@@]1(Cl)C(Cl)(Cl)[C@@]4(Cl)[C@@]3(Cl)[C@@]21Cl"]
["50409332","C[Si]12OC34O[Si]5(C)O[Si](C)(O1)O[Si]1(C)O[Si]6(C)O[Si](C)(O[Si]3(C)OC16O2)O[Si]4(C)O5"]
["192476154","C.C[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(CCCN)O[Si](CCCN)(O2)O[Si](CCCN)(O3)O[Si](CCCN)(O4)O1"]
["78398880","C[SiH2]O[Si]1(C)O[Si]2(C)O[Si]3(C)OCO[Si]4(C)O[Si]5(C)OC1(C)[Si](O5)(O[Si](C)(O4)O3)O2"]
["66474264","CC1(C)C[Si](C)(C)[Si](C)(CCCO)[Si](C)(C)O1"]
["45709062","C[Si]1O[Si](C)(C)O[Si](C)(Cl)O[Si](Cl)(Cl)O1"]
["48200532","CO[Si]1(CCBr)OC(C)CC(C)(C)O1"]
["56696633","C[Si]1(O)O[Si]2(C)O[Si]3(C)O[Si](C)(CCCN)O[Si@@]4(C)O[Si](C)(O1)O[Si](C)(O2)O[Si](C)(O3)O4"]
["25549386","C[Si]1(O)O[Si](C)(O)O[Si]2(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O)O[Si](C)(O)O[Si](C)(O1)O2"]
["44222970","C[Si]12O[Si]3(C)O[Si]4(C)O[Si](CCCO)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](CCCO)(O3)O[Si](CCCO)(O4)O1"]
["97127568","CC1(C)O[Si]1(C)C"]
["97363186","C[Si]12O[Si]3(C)O[Si](C)(O1)O[Si]1(C)O[Si]4(C)O[Si](C)(O1)O[Si](C)(O3)O[Si](C)(O2)O4"]
["192956187","C[Si]12OC3[Si]4(O1)O[Si]1(C)O[Si]5(C)OC6[Si](C)(O4)O[Si@@](C)(O2)O[Si@@]6(O5)O[Si@]3(C)O1"]
["184338720","OC1C=CC(CC2C=CC3C(O)C=ICCC3C2O)CC1"]
["178605145","CC[C@@H]1C=CCC(CC2C=CC(CCOC)CC2)C1"]
["103068875","OC1[C@H]2C=C[C@@H]1[C@@H]1CCC[C@@H]12"]
["163039095","CCCC[C@H]1C=C[C@H](O)CCCC1"]
["179369968","CCC1C=ICC1"]
["69890748","CCOC(=O)C1C2C=CC(O)C(O)C21"]
["82654786","CN(C)CC1CC2NN=C(O)N2C2CC(c3ccc[nH]3)CCC12"]
["32290436","O[C@H]1[C@H]2C=C[C@@H]1[C@@H]1CC[C@H](O)[C@H]21"]
["149946944","CCC1CC=C(Br)C=C(C2=CCC(CO)C=C2)C1=N"]
["24912705","O=C(O)CC1C=CC(O)CC1"]
["97043317","O=P(c1ccccc1)(c1ccccc1)[C@H]1C=C[C@H](O)CC1"]
["162780975","O[C@H]1C=C[C@@H](c2ccccc2)CC1"]
["193560849","CCl.SC1=NC2=C/C=C\\CC3=C(/C=C(\\C2)O1)CCC3"]
["57587479","C1=CCC(CC2=CC=CC2)=C1.CCl.[Ti+2]"]
["183316454","CCCN(CCC)C1=NC(N)(c2ccc(Cl)cc2Cl)NC2=C1CCC2"]
["178767641","Cc1nn2c(c1C#N)N=C(O)CC2=C1CCCC1"]
["82999017","COC(O)=NC1C(=O)N2C(c3nc4ccc(C5=CC=CC5)cc4[nH]3)CC3CCCC(C1C)C32"]
["57518020","C1=CCC2=C3CCCCC3=NC2=C1"]
["173167650","CCN.SC1=NCCC1"]
["180484417","CNC(S)NC1=CC(C)=CC=CC1"]
["162814127","Cc1cc(S)nc(C2CCC(C)O2)n1"]
["199382118","C[Si](c1ccccc1)(c1ccccc1)C([Se]C(Cl)([Si](C)(c1ccccc1)c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1"]
["179554057","CC1=C(Cl)C=CC/C1=C1\\[C@H](C)[N-][C@]2(CC2C(C)(C)C)[C@]12C1=CCC(Br)C=C1N=C2O"]
["180196089","CCC1CC=CC=C1C(=O)n1ccc(/C=C/c2cccs2)n1"]
["178805256","CC(C)[C@H](C)[I+][C@@H](C)[C@@H]1NN[C@H]([C-]2CCCC[C-]2Br)N1"]
["155983006","CC(C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21"]
["54998516","CCN(C1CNC1)C(C)C1CCCC1"]
["170081765","CC1CNCC(C2CC3C(C)CC(C(C)NC4CCC(C)C(C5CCCCC5C)C4)C(C2)C3C)C1"]
["130146862","COC(=O)Cc1nc(N=C(O)C(CC2CCCCC2)C(C)C)n[nH]1"]
["186677286","COc1ccc(C2=Nn3c(nnc3C3NNC4CCCC43)SC2CC(C)C)cc1"]
["49871683","CC(Nc1ccc(C(=N)O)cc1Cl)C1CCCNC1"]
["114875692","Cc1cccc(C(O)=NC(C)C2CCCNC2)c1Br"]
["88757005","CCCC1NC(C(C)C)C(=O)N1C(C)C(C)C"]
["82757764","CC(C(=N)O)N1CCCCC1C1NNC2CNCC21"]
["104819896","C[C@@H](N[C@H]1CCN2CCC[C@H]12)c1ccc(Br)s1"]
["50667559","CN=C(O)C1CCCN1c1ccc(C(C)O)cc1"]
["178734794","CSCC1=NC(CS[I+]I)=N[C-](CSC)[N-]1"]
["164414929","CCc1nnc(SCC2=NC3C=CC=CN3C(=O)C2)nc1CC"]
["144748824","CSCc1cc2cccc(F)c2[nH]1"]
["141063881","CSCc1nnc(SCc2nnc(C3CC3)n2C2CC2)o1"]
["82010281","CC(C)(C)SCC1=NC(=O)C(I)C(C(C)(C)C)=N1"]
["155161785","CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(F)c2[nH]1"]
["162760569","CSCc1c(I)ccc(C)c1F"]
["179115728","C[C-]1N=CN[C-]1C[I+]I"]
["105775903","CN[C@H](C)c1cnc(CSC)s1"]
["174000551","Cc1nc(CSCc2nc(C)c(O)c(CO)c2CO)c(CO)c(CO)c1O.Cl.Cl"]
["22556544","CSCc1nnc(SCc2cn3cccc(C)c3n2)o1"]
["81954623","C=C1C(=O)N=C(CSC2CCCC2)N=C1C"]
["173707940","[B+]=C1C[C-]([C-]([O-])[O-])[N-]c2c1c(=[B+])c(=[B+])c(=[B+])c2=[B+]"]
["173969421","[B+]=C1C(=[B+])[C-]([c-]2[cH-][cH-][c-]3o[c-]4[cH-][c-]5[cH-][cH-][cH-][cH-][c-]5[cH-][c-]4[c-]3[cH-]2)C(=[B+])C(=[B+])[C-]1[C-]1c2c(c(=[B+])c(=[B+])c(=[B+])c2=[B+])[C-]([C-]2C(=[B+])c3c(c(=[B+])c(=[B+])c(=[B+])c3=[B+])-c3c2c(=[B+])c(=[B+])c(=[B+])c3=[B+])c2c1c(=[B+])c(=[B+])c(=[B+])c2=[B+]"]
["173775018","[B+]=c1c2c(c(=[B+])c(=[B+])c1=[B+])-c1[n-][cH-][cH-][cH-]c1CC2"]
["176485324","[B+]=C1C[C-](Cl)C(=[B+])C2=C1[N-]C(C(C)(C)[O-])=C(N)C2=[B+]"]
["173969457","[B+]=C1C(=[B+])[C-]([c-]2[cH-][cH-][c-]3[c-]([cH-]2)o[c-]2[cH-][c-]4[cH-][cH-][cH-][cH-][c-]4[cH-][c-]23)C(=[B+])C(=[B+])[C-]1[C-]1c2c(c(=[B+])c(=[B+])c(=[B+])c2=[B+])[C-]([C-]2C(=[B+])c3c(c(=[B+])c(=[B+])c(=[B+])c3=[B+])-c3c2c(=[B+])c(=[B+])c(=[B+])c3=[B+])c2c1c(=[B+])c(=[B+])c(=[B+])c2=[B+]"]
["174691417","[B+]=C1[CH-][C-](C)[N-]C(=[B+])C1=[B+]"]
["190052094","[B+]=C1C(=[B+])C(=[B+])C(F)[C-]([C-]([O-])[O-])C1=[B+]"]
["173787907","[B+]=c1c(=[B+])c(=[B+])c2c([n-][c-](CCCCCCC)[c-](O)[c-]2[O-])c1=[B+]"]
["173941367","[B+]=C1C(=[B+])[C-]2[C-]([N-][CH-][C-]3[C-]2C2CCC3CC2)c2c1c(=[B+])c(=[B+])c(=[B+])c2=[B+]"]
["187139617","[B+]=c1c2c(c(=[B+])c(=[B+])c1=[B+])C(=C([O-])C1[C-]=C(Br)C(OC)=C(Br)C1)[C-]([CH-]C)O2"]
["176179685","[B+]=C1[C-]=C([O-])N([C-]2CC(=[B+])C(=[B+])C(=[B+])C2)[C-]=C1C(F)(F)F"]
["99743846","[B+]=C1CC(=[B+])C2=[C-]C(Br)=[C-]C(=[B+])[C-]2C1"]
["69492119","[1CH3][1C]1([1CH3])[1O][1B]([1c]2[1cH][1cH][1c]([1N]([1c]3[1cH][1cH][1c]([1B]4[1O][1C]([1CH3])([1CH3])[1C]([1CH3])([1CH3])[1O]4)[1cH][1cH]3)[1c]3[1cH][1cH][1c]([1B]4[1O][1C]([1CH3])([1CH3])[1C]([1CH3])([1CH3])[1O]4)[1cH][1cH]3)[1cH][1cH]2)[1O][1C]1([1CH3])[1CH3]"]
["69491946","[1CH3][1C]1([1CH3])[1O][1B]([1c]2[1cH][1c]3[1cH][1cH][1c]4[1cH][1cH][1cH][1c]5[1cH][1cH][1c]([1cH]2)[1c]3[1c]45)[1O][1C]1([1CH3])[1CH3]"]
["76239777","[1CH3][1N]([1CH3])[1c]1[1cH][1cH][1c]([1CH]([1c]2[1cH][1cH][1c]([1N]([1CH3])[1CH3])[1cH][1cH]2)[1CH]2[1CH2][1CH2][1O][1C]2=[1O])[1cH][1cH]1"]
["76239796","[1CH3][1CH2][1O][1C](=[1O])[1CH2][1CH]([1c]1[1cH][1cH][1c]([1N]([1CH3])[1CH3])[1cH][1cH]1)[1c]1[1cH][1cH][1c]([1N]([1CH3])[1CH3])[1cH][1cH]1"]
["76239752","[1CH3][1N]([1CH3])[1c]1[1cH][1cH][1c]([1CH]([1c]2[1cH][1cH][1c]([1N]([1CH3])[1CH3])[1cH][1cH]2)[1C]2([1CH3])[1CH2][1CH2][1O][1C]2=[1O])[1cH][1cH]1"]
["181140378","Cln1pnp(Cl)n(Cl)p(Cl)n(Cl)p1Cl"]
["164471635","C[Si](C)(C)N1P2N([Si](C)(C)C)P1N([Si](C)(C)C)[Si](Cl)(Cl)N2[Si](C)(C)C"]
["170682922","[C-]#[N+]c1nc(C)c(Cl)nc1N"]
["74563711","CC1(C)OCC(Cc2ccc(On3pnp(Cl)n(Cl)p3Cl)c(Cl)c2Cl)O1"]
["164471637","C[Si](C)(C)N1P2N([Si](C)(C)C)[Si](Cl)(Cl)N([Si](C)(C)C)P1[NH+]2[Si](C)(C)C"]
["101220574","CC1=N[Si]([Si](C)(C)C)([Si](C)(C)C)N([Si](C)(C)C)P1Cl"]
["25883437","S=c1[nH]ccnc1Cl"]
["61411227","CCN(CC)[Si]1(Cl)N([Si](C)(C)C)P(Cl)N1[Si](C)(C)C"]
["181991637","[N-]=[N+]=Np1n(Cl)pn[pH]n1Cl"]
["70000933","Clc1nc2c(nc1Cl)CNC2"]
["73486705","O=Cc1ccc(Op2npn(Cl)p(Cl)n2Cl)c(Cl)c1Cl"]
["185016647","N=C1Cp2npn3sp3n21"]
["178855369","O=C1c2c(sc3c2SC=CC3)C2CC3C(=O)C4c5sccc5SC4C3CC12"]
["76575156","CCN(CC)c1ccc(C2c3sc(O)nc3SC3C4CC(C5C(=O)N(CC(O)=Nc6cccc(C)c6)C(=O)C45)C23)cc1"]
["125337015","Cc1ccsc1C1CC1C(O)=Nc1cccc(NS(C)(=O)=O)c1"]
["109212738","O=C(O)CCN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2sc(O)nc2S[C@H]31"]
["24928688","Cn1cc(C(O)=NC2CN3CCC2CC3)c(=O)c2sccc21"]
["3875073","N#Cc1ccsc1N1CC[C@H](Br)C1=O"]
["107720226","N#Cc1ccsc1N1CC[C@H](N2C[C@H]3CC=CC[C@@H]3C2)C1=O"]
["136749168","Cc1ccsc1C1CC1C(O)=NN=C(O)C(C)(C)C"]
["133164920","Cc1ccsc1C1CC1C(O)=NCCc1ccc(Cl)cc1"]
["131013442","CCS(=O)(=O)N(C)CCCN=C(O)C1CC1c1sccc1C"]
["131203917","Cc1ccsc1C1CC1C(O)=Nc1c(C)n(C)n(-c2ccccc2)c1=O"]
["109628559","CC(C)OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@@H](c2cccs2)c2sc(O)nc2S[C@H]31"]
["184498756","[CH]1C2(CC2)CC2(CC2)OC12CC2.[Hg]"]
["195113413","CC1(C)OO[C@@]2(O)C[C@]3(C)O[C@H]3CC[C@]3(C)O[C@H]3C=C12"]
["194900361","C[C@@]12CC(=O)[C@@]3(O)[C@@](O)(CC[C@]4(O)C(=O)c5c(O)cccc5C(=O)[C@@]34O1)C2"]
["43011129","CC(C)CP1(=O)O[CH-]CC2(CC2)O1.[V]"]
["178104704","C#CC1CC2(CC2)CC2(CC2)O1"]
["186998778","Cc1cc2c(o1)CC(C)(C)CC2(C)O"]
["81783676","CC1=CCCC(C)(C)[C@@]12CC[C@@H](C)O2.CC1=CCCC(C)(C)[C@]12CC[C@H](C)O2"]
["158399960","C[C@@H]1C[C@@]2(CC[C@@](C)(C=O)O2)CO1"]
["99033623","O=CC1=CC2(CCCCC2)ON1"]
["120571128","Fc1ccc2c(c1)OC1(CC1)CN2"]
["173163844","C1=C2CCCCC3CC[C@]23CCC12CC2"]
["75062703","CC12[CH]C3(C)CC(C)(O1)OC(C)(C2)O3"]
["190838044","B#[B-]B1C(C)[B+]C[C@H]1C.B#[B-]B1C[B+]C(C)C1"]
["100277700","CC.CCC.[B]=[B-]([B+])B([B-]#B)B(B1CCC[C@H]1C)[B-]([B+])=[B+]"]
["184434097","[B]C1CC(C)(C)CC1C"]
["120461857","CC1CCCC(NC(C)(C(=O)O)C2CC2)C1"]
["99774329","B#[B-]B1CC(C)=C2CCN[B+][C@H]2[B-]1=[B+]"]
["42407366","B#[B-]B1C(C)[B+]C[C@H]1C"]
["173163944","CN1CCB2CC2C1"]
["62195117","B#[B-]B1c2ccc[c]c2CC1C.[Y]"]
["43401781","[B]=[B-]([B+])B([B-]#B)B(B1CCC[C@@H]1C)[B-]([B+])=[B+]"]
["83595908","Cc1ccc2n1CC[NH2+]C2C"]
["78997756","CC1C[CH]CN1C"]
["100194051","CC.CC.[B]=[B-]([B+])B([B-]#B)B(B1CB(B([B-]([B+])=[B+])[B-](=[B+])[B-]#B)C[C@H]1C)[B-]([B+])=[B+]"]
["179619449","C1CI(=c2[n-][nH]c3c2C2CC2C3)=I1"]
["MCULE-1448236672","OCc1c2c(nn1CC(F)(F)F)CC1CC21"]
["MCULE-2255431563","Cc1cc(C)nc(-n2nc(I)c3c2CC2CC32)c1"]
["MCULE-3994745862","CC(n1nc2c(c1I)C1CC1C2)C(F)(F)F"]
["174959605","CC1CC2CC(=O)C2C1"]
["157297731","Cc1cccc2c1NC[C@@H]1C[C@@H]21"]
["MCULE-1960305461","Cc1cc(Cl)c(-n2nc(I)c3c2CC2CC32)cn1"]
["MCULE-9672196249","O=Cc1nn(-c2cccnc2F)c2c1C1CC1C2"]
["MCULE-3539897919","Cc1ccc(C)c(Cn2nc(C=O)c3c2CC2CC32)c1"]
["MCULE-5214626397","Cc1cc(Cl)ncc1-n1nc(O)c2c1CC1CC21"]
["MCULE-3563847696","N=c1[nH]n(-c2cccnc2)c2c1C1CC1C2"]
["MCULE-8154161447","CN(C)CCCn1nc(Cl)c2c1CC1CC21"]
["65912917","C[C]=C(C)/C(COc1ccc(SCC2(COO)CCCC2)cc1)=C(/C)[C-]C.[W]"]
["MCULE-9665247174","COc1ccc(OCC(=O)N2CCC3(CCCN(Cc4cnco4)CCN=C(O)c4ccccc4OC3)CC2)cc1"]
["47309104","COc1ccc(SCc2ccc(F)cc2C#CCO)cc1"]
["135996916","CCC=C(C)C(O)=NCCOc1ccc(Br)cc1"]
["15809831","CCN(C(=O)COc1ccc(NC(=O)CSC)cc1)C1CCCCC1"]
["MCULE-8593510139","N#Cc1cc(Br)c(N=C(O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)c(Br)c1"]
["139205790","CCOc1ccc(C=C(C#N)C(O)=NC2CCOC(C)(C)C2)cc1"]
["59640323","CC1(C(=O)O)CCN(CCSc2ccc(F)cc2)CC1"]
["140697347","OC(COc1cccc(F)c1)=NCC1(N2CCCCC2)CCOCC1"]
["13549885","Cc1ccc(Br)cc1N=C(O)COc1ccc(CC(=N)O)cc1"]
["126704897","CCc1ccc(OCC(=O)N(CC)CCS(C)(=O)=O)cc1"]
["2080084","CCc1ccc(OCC(=O)N(CCC(=O)OC)C[C@H]2CCCO2)cc1"]
["172793605","FC(F)(F)C=CC1=C[N-][C-](Cl)N=C1.[Mg+2]"]
["191287819","FC(F)(F)C=CBr.FC(F)=CC(F)(F)Br"]
["197384801","OC(c1cccnc1F)C(F)(F)F"]
["19432132","FC1=CC(F)=NC(F)N1"]
["200476980","OCC=Cc1cc(C(F)(F)F)cnc1Cl"]
["159296446","O=C(O)/C=C/c1cc(F)cc(C(F)(F)F)c1CO"]
["123092798","OC(C=Cc1c(F)cccc1F)=Nc1cnn(CC(F)(F)F)c1"]
["75773663","FC(F)(F)C1=CC=CC2=C=C[N]N21"]
["24921619","O=[N+]([O-])c1ccc(C=CC(F)(F)F)cc1"]
["163202768","NCc1c(Cl)cc(OC(F)(F)F)nc1I"]
["171209389","C=C[C@@H](N)c1cccc(C(F)(F)F)c1Cl.Cl"]
["23798988","Nc1cncc(C(F)(F)F)n1"]
["96648839","C1Cn2p([n+]3[p+]2CCC3)C1"]
["194488396","CC.CC1=[N+](C)CCCN1C"]
["23184860","CC(C)(C)P1CCC[C@@H]1[C@H]1CCCP1C(C)(C)C"]
["167207693","CC(C)(C)[P@@]1CCC[C@H]1[C@@H]1CCC[P@]1C(C)(C)C"]
["74533600","CC(C)(C)P1CCC[C@H]1[C@@H]1CCCP1C(C)(C)C"]
["167210955","CC(C)(C)[P@]1CCC[C@@H]1[C@@H]1CCC[P@@]1C(C)(C)C"]
["3696471","CC(C)(C)[P@@]1CCC[C@@H]1[C@H]1CCC[P@]1C(C)(C)C.[H+].[H+]"]
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["73924372","CP1CCC[C@H]1[C@@H]1CCCP1C(C)(C)C"]
["144640083","C1CN2CCN3CCN4CCN1[PH]243.[Zn+3]"]
["167326532","CC(C)[Si](OC1C=C=C=C[C@H](O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C#CC#C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C"]
["101079104","CC(C)[Si](O[C@@H]1C[C@H](Br)C[C@@H](O[C@@H](C)[C@@H](C)O)C1(C)C)(C(C)C)C(C)C"]
["43220734","CCOC(=O)c1cccc(C(C)CC)c1"]
["33079158","COC1=C[C@@H](O)[C@H](O)[C@@H]2C1C(O)=N[C@H]2[C@@H](C)O"]
["164519439","CC(C)[Si](OC[C@H](N)C(O)(c1ccccc1)c1ccccc1)(C(C)C)C(C)C"]
["60279118","CCCn1ncnc1CC(O)c1c[nH][nH]c1=N"]
["113677377","CC(O)CC(C)c1cnc(C(F)(F)F)s1"]
["100921328","CSC(=O)C1=C(SC)CC(C)(C)C(O[Si](C(C)C)(C(C)C)C(C)C)CC1=O"]
["96787515","CC(C)[Si](OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C"]
["MCULE-4580110054","Cc1cc(C)nc(N=C(O)CCc2cc(-c3ccccc3OC(C)C)ccc2F)n1"]
["192461386","CC(C)OC(=O)N1C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1c1ncccc1F.CC(C)[Si](O[C@H]1C(O)=N[C@H]1c1ncccc1F)(C(C)C)C(C)C"]
["59868610","CC(C)[Si](OC[C@H]1O/C(=C\\[C]N)C=C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.[Cr]"]
["184397580","[C-]1=C2C(=[C-]CC1)C1CCC2C[Cl+]1"]
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["31010376","Clc1c(Cl)c(Cl)c2c(c1Cl)C1CCC2C1.O=C(O)c1ccccc1"]
["127973933","CCN1CCC(CN=C(O)c2c(C)nc(C3CC3)nc2SC)C1"]
["149065995","BrC1=CCC=C[C]1C1CC1"]
["77020015","O=C1N=C(C2CC2)N=CC1Br"]
["105326894","Cc1nc(C2CCC(C)CC2)sc1[C@H](C)N"]
["151427564","CC(C)[C@@H]1CCCC[C@H]1NC(=S)c1nc(Cl)c(Cl)[nH]1"]
["87420783","CC(C)c1ccc(C(C)NC2CCCCC2C(C)C)cc1"]
["59396293","Oc1cc(C2CC2)cc(C2CC2)c1"]
["60892084","Cc1nc[nH]c1CNC1CCC(c2ccccc2)CC1"]
["88389969","Cc1ccc(Cl)cc1C(O)=NCCCNC1CC1"]
["184291389","CN1NN=C(CC(C)(C)CCSCCSCCC(C)(C)C[n+]2nn[nH]n2)N1"]
["156280820","CC(C)(CC=O)CC(C)(C)CS(=O)(=O)N=C(O)CC(C)(C)CC(C)(C)Cc1nn[nH]n1"]
["172182304","CC(C)(C)CSCCOCCOCc1cn(C(C)(C)C)nn1"]
["50882319","CCCCSCCC(C)(NC)C(=N)O"]
["86534112","CCCn1ccnc1CC(C)(C)CCNCC"]
["32951830","C[Si](C)(C)CSCCSCCN1C(=O)c2ccccc2C1=O"]
["113952191","CNCCC(C)(C)Cc1cn(C)nn1"]
["140471525","COC(=O)Cn1cc(CCN2CCc3ccc(C(C)(C)C)cc3C2)nn1"]
["MCULE-4726004340","CCCCC(C)(C)C(O)=NCc1ccnc2[nH]ccc12"]
["179861082","C=c1oc(=N)[nH]/c1=C/CC(C)(C)CC1C=NN[C@@](C)(/C=C\\CCSCC(C)C)N1N"]
["187964766","CC(N1CC(C(=N)O)=C2CNCCN21)C(F)(F)F.Cl"]
["170208544","Cc1nnc(CC(C)(C)C[n+]2nc(CC(C)(C)CCn3ccc(CC(C)(C)C)n3)cn2C)o1"]
["26249584","C1=Cc2c3c([nH]c2=C=[N+]=1)=CCC=[C-]3"]
["112351016","O=C(O)CCCc1cccc2c1CCN2"]
["74284982","OCC1=C=[N+]=[C-]C=C1"]
["176503287","CC1=[C-]CC2=C=[N+]=C=CC2=C1.[Al].[Al]"]
["66228723","CN1C=CN(C2=C=CC(=C=[N-])C=[C-]2)C1.[Rh+2]"]
["168444687","O=C(O)c1cnn2c3c(c(=O)[nH]c12)COCC3"]
["186861913","Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1cccc2c1COCC2"]
["158393448","N=C1COC[C@@H](c2c(F)ccc(F)c2Cl)N1"]
["163013958","N=C1COCC(c2cc(Br)c(Br)s2)N1"]
["197053081","Cc1cc(O)cc(C)c1C1COCC(=N)N1"]
["113366942","NN=c1c2c([nH]c3c(Cl)ccc(Cl)c13)CCOC2"]
["75243365","C1=CC(=C2C=C=[N+]=C=C2)C=[C-]N=1"]
["147852734","OC1=NCCC(C2CC[NH+]=C(O)C2)C1"]
["124457777","OC1=NCCC(C(O)=NC(c2ccccc2)c2ccncc2)C1"]
["52724966","O=C(O)C1C2CCCC21.OC1=NC(O)=NC1"]
["159179459","C[C@@H]1CC(O)=NCCN1C(O)=NN"]
["160094592","O=C(C1CN=C(O)C1)N1CC2(CCCCC2)C1"]
["20098088","CC(C)[C@H](C)N(C(=O)CN1CC[NH+]=C(O)C1(C)C)C1CC1"]
["85599160","Cc1ccc(NC2CCCN=C(O)C2)c(C)n1"]
["11668869","Cc1nnc([C@@H](C)N2CC[NH+]=C(O)CC2)o1"]
["164085361","CC1CC(O)=NCCN1c1nc2ncccc2cc1C#N"]
["166362894","CCCS(=O)(=O)N1CCCC1C(O)=NC1CCCN=C1O"]
["1281192","Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)[C@@H]3CC(O)=Nc4ccccc43)nc2c1"]
["78844700","CC(C)[C@@H]1N=C(O)[C@@H](CSSC[C@@H]2N=C(O)CN=C2O)N=C1O"]
["100871839","CC1(C)C(Cl)(Cl)[C@]2(C)C(C(Cl)Cl)(C(Cl)Cl)[C@@]1(C(Cl)Cl)[C@@](C)(Cl)C2(C)C"]
["154235091","CC1(C)[C@H](C(Cl)Cl)[C@@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl"]
["113850197","CC1CN(c2nnc(C(C)Cl)o2)CC(C)(C)O1"]
["84066150","CC1(Cl)C=C(C#N)C(C#N)=C(N)O1"]
["147607894","CC1(C(Cl)Cl)C2CC(=O)CC1CC(=O)C2"]
["177157377","CC(C)C1(C(C)C)C(C)(C)C1(C)C"]
["17924744","CC1(C(Cl)Cl)C=CC(=O)C=C1"]
["97460934","CC1(C)C(Cl)(Cl)C(C)(C)C12SS2"]
["78345019","CN(C)C(OCl)OCl"]
["173806511","CC1=C(C)C(C)(C(Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.[Zr]"]
["57935450","CC12CCCCC1(C)C2(Cl)Cl"]
["91320528","C=C(C)C1CC(O)C2(C)C(C1)C2(Cl)Cl"]
["186562234","N=c1sc2c(sc3[nH][nH]sc32)c1=S"]
["74433294","Cc1c(N)sc2[nH]c(=N)sc12"]
["12506908","S=c1sc2c(s1)S[C@@H]1CC=C[C@H]1S2"]
["156818472","N=c1[nH]nc(C2[C@@H]3CCC[C@@H]23)s1"]
["74920457","S=c1ssc(=S)c2ssc12"]
["156763883","C[C@H]1C[C@@](O)(c2c[nH]c(=N)s2)CS1"]
["158695154","Cc1nnc(C)s1.S=c1[nH][nH]sc1=S"]
["93978470","CC1CC(c2n[nH]c(=N)s2)CO1"]
["85045083","N=c1[nH][nH]cc1CN=C(O)C1CSC(O)=N1"]
["182405527","CC(=O)N=c1s[nH][nH]c1=S"]
["50035210","N=c1[nH]c2ccc3[nH]c(=N)sc3c2s1"]
["53943990","N=c1[nH]c2c(s1)SC(=S)C2c1ccccc1"]
["175344445","[O-][NH+]1NNC2C3NNNC3CCC21"]
["58595350","O=C1c2ccccc2C(=O)C2C1CCC1NOONC12"]
["82125331","C1CCC2C(C1)CCC1NNNC12"]
["82045965","FCCC(CCC#Cc1ccccn1)CC1CC(CC(CCF)CCC#Cc2ccccn2)C2NNNC2C1"]
["82636520","CN(C)C=C(C(=O)c1ccc(Cl)cc1Cl)C1CCCC2NNNC21"]
["77548493","CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCC2NNNC2C1"]
["82624410","C1NCC2CCC3NNNC3C2N1"]
["76999976","O=C(OCc1ccccc1)C1CCCC2NNNC21"]
["175626110","FC1CCCCCC2NNNC12"]
["82677209","CCCCC(CC)CN(CC1CCCC2NNNC12)Cn1nccn1"]
["81073584","CC(=O)C1C2C3NON(O)C3CCC2[NH+]([O-])C1C"]
["82760855","O=C(CN(C(=O)OCc1ccccc1)C1CCCC2NNNC21)Oc1ccccc1"]
["69720605","O=C1C=CC(Br)=CC1=C1c2[se]c(=O)[nH]c2SC2C3CC(C12)C1C(=O)OC(=O)C31"]
["23345632","Cc1cc(NC(=O)C2C3CC4C(OC(=O)C42)C3Br)cc(C)c1Br"]
["44613206","O=C1C=CC(Br)=CC1=CNc1ccc(-c2cc3ccccc3oc2=O)cc1"]
["144955052","O=C(O)C1=C/C(=C2\\C=C(C(F)F)C=CC2=O)ON1"]
["152470010","O=C1C=CC(Br)=CC1=CNN=C(O)c1cc2cc([N+](=O)[O-])ccc2o1"]
["56789910","C=CCN1C(SCc2nc(O)c3ccccc3n2)=NNC1=C1C=C(Br)C=CC1=O"]
["114619591","CCC1SCCSC1C1=N/C(=C2/C=C(O)C=CC2=O)ON1"]
["170508828","CN1CC2=C(C1=O)[C@H]([Si](C)(C)C)CC1=C2[C@H]2O[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12.CN1CC2=C(C1=O)[C@H]([Si](C)(C)C)CC1=C2[C@H]2O[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12"]
["70494544","N=C(O)c1nc(=C2C=C(Br)C=CC2=O)nc2c1=NC(=O)N2c1ccc(F)cc1"]
["43580605","O=C1OC(=O)C2C1C1C=C(F)C2C2C3C(=O)OC(=O)C3C12"]
["102073659","Cc1c(Br)ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C"]
["161907224","Cc1ccc2c(c1)cc(C1C/C(=C3/C=C(Br)C=CC3=O)NN1)c1nnnn12"]
["184121917","CC1C(C)C(F)C(OC2C(F)C(F)C(OC3C(F)C(C)C(C)C(F)C3F)C(F)C2F)C(F)C1F"]
["74089839","CC1CC(C([O])=O)C1C"]
["170212574","COC(=O)C1C(C)C(C)C(C)C(C)C1C"]
["190716185","C.CC1CCC(C)C(F)C1F.O"]
["355514","CCC1C(I)C(C)C(OC2C(I)C(C)C(CC(N)C(=O)O)C(C)C2I)C(C)C1I"]
["184523744","CC1CC(C[I-]F)C(C)C(F)C1Cl"]
["199436733","CC1C(C(F)(F)F)C(C)C(C(F)(F)F)C1C(F)(F)F"]
["99806065","CC1CNCC(C)C1F"]
["183197130","CC=COC(C)C1OC(F)C1F"]
["185317564","C[C@@H]1CC(=O)[C@@H]1F"]
["169720384","CCC1(CC)OC(C)[C@H](F)[C@@H]1O"]
["182145909","COCC1=C(C(=O)O)C(C)C(C)(C(=O)O)C=C1"]
["97021048","O=c1c2nssc-2c(F)c2c1[N]SS2"]
["58350032","Cc1snc(C2=[C-]C(F)(F)C(=O)C2(F)F)c1C.[Ir]"]
["5890186","Cn1nc(C(=O)NNc2ccc(F)c(F)c2F)ccc1=O"]
["26330259","O=c1c(Cl)cc2nc3ccc(F)cc3sc-2c1Cl"]
["175987110","O=S(=O)=C1C=CN=C(F)C1F"]
["33649277","O=c1ssnc1-c1ccc(F)cc1"]
["86062895","Fc1c(Cl)nc(-c2cc(Cl)cs2)nc1Cl"]
["65148238","Cc1c(F)c(N2CC3CC2C(C)N3)nc2c1c(=O)c(C(=O)O)cn2C1CC1"]
["162300547","Cc1c(F)ccc2c1N=CC(Br)C2=O"]
["151166539","Cc1c(F)c(F)cc2c1N=C[C@@H](C(=O)O)C2=O"]
["120438134","CCCNc1nsnc1-c1ccnc(OC)c1F"]
["170532898","CCn1c2nssc-2c(F)c(=S)/c1=N\\SS/N=c1\\c(=S)c(F)c2ssnc-2n1CC"]
["33171345","[2H]CC([2H])CC([2H])([2H])C([2H])([2H])/C=C\\CC(OC(C)C)OC(C)C"]
["150663333","B[C@H](C)C/C=C\\C(C)=N"]
["43423508","CCOC(=O)CC(OC(C)C)OC(C)C"]
["163443603","Cc1cc(Br)c(OC(C)C)c(CO)c1"]
["MCULE-1157189897","CC(C)Oc1ccc(-c2cccc3c2CCN(C(=O)CN2CCCC2)C3)cc1"]
["46876477","CCOC(=O)C(=O)/C(=C/N(C)C)C(C)C"]
["181068572","CC(C)COC(CC(C)C(=O)N=[N+]=[N-])OC(C)C"]
["93481057","CC(C)Oc1ccc(/C=C(/CBr)C(C)C)cc1"]
["107805276","CC[C@@H]1CN[C@@H](C(C)C)CN1CCCOC(C)C"]
["33193270","CCOC(C/C=C/C#CC(=O)OC)OCC"]
["25255778","CC(C)OC(C)CO"]
["191831951","[2H]CCCCC(O)=NCC(CN=C(O)CCCC[2H])OP(OC=NCC)N(C(C)C)C(C)C"]
["69551706","O=CO[B+]OS1=C=CC[CH-]1"]
["MCULE-1418903913","Cc1cncc(C2CC2CC=O)n1"]
["73724828","O=COc1ccc(N2C(=O)CCC2=O)cc1"]
["161658604","O=COP1CCCCC1"]
["75006229","CCC1CC1(N)OC=O"]
["97465762","COC(=O)C1(C(=O)OC)CC2=C(C)[C@@H](C=O)CC=C[C@H]2C1"]
["174807893","N=c1ccc(CCOC=O)c[nH]1"]
["10167058","O=COCCC1CC1"]
["174598145","NCC(C=O)N1CCC(N2CCC(c3ccccc3)CC2)C1"]
["25233879","CCOC(OCC)C(Br)C=O"]
["48758999","O=C=NS(=O)(=O)S1=C=CC=C1"]
["94791503","C=CC(=O)C1(OCC)CCC(C)CC1"]
["195522780","CC1=CC(N2CCc3c(c(C)nn3CC34CCC(NCC(C)(C)[O-])(CC3)CC4)C2)=C2C=NI=C2[N-]1"]
["51359005","CCOC(=O)[C@](N=C(O)OCC)(Nc1sc2c(c1C(=O)OC)CCN(C)C2)C(F)(F)F"]
["161342484","Cc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)N(C)[C@H]1CC[C@@H](C(=O)O)CC1)C2"]
["132837733","CNC1CCCN(C(=O)Cc2c(C)nn(CC(C)C)c2C)C1.Cl"]
["62138911","CCC(C(=O)N(Cc1nn(-c2ccc(C)cc2)c2c1CN(CC)CC2)C1CC1)c1ccccc1"]
["108445246","CCO[C@H]1C[C@H](O)C12CCN(c1cnccn1)CC2"]
["177438328","CCOC(=O)C(N)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCO2"]
["169695707","C=C(CC(F)F)C(C)=Nc1ccc(C2=CC(=N)c3nc(NCC4(F)CC4)ncc32)nc1C"]
["MCULE-7520307729","Cc1cncc(-c2c(C)nn(CC(O)=NC3CCN(S(C)(=O)=O)CC3)c2C)c1"]
["CSSS14831853454","CC(C)(C)N1CCN(S(=O)(=O)c2cc3c(s2)CCN(C(=O)CCC(=N)O)C3)CC1"]
["1554053","Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC(C)(C)N1CCOCC1"]
["113212041","CNCC1(C)CCN(Cc2nc(C(C)(C)C)cs2)C1"]
["198738747","F.[2H]OC(CCC(=O)CCOCCNC(O)=c1ccc(=C2C=C(O)C3=C(O2)C(=O)C(=O)C=C3)cc1)C[n+]1ccc(CC(O)(P(=O)(O)O)P(=O)(O)O)cc1.[B]P"]
["45405233","COCCOCCC(=O)CCC(C)(C)C"]
["181963906","CN(CCN=[N+]=[N-])CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC([C@H](O)c4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F"]
["88815240","COC[C@H](N)C1=NN/C(=C2/C=CC(=O)C=C2O)O1"]
["126959315","COc1ccc(C)cc1-n1ccc(C(=O)NCCOCCC(C)C)n1"]
["195256137","COCCOCCNC(=O)c1cc(C)c(-c2cc3c(NC4CCC(N=C(O)OC(C)(C)C)CC4)c(C(=N)Nc4cc(F)ccc4Cl)cnn3c2)cn1"]
["195741498","CCOP(=O)(COc1ccc(C[C@H](N=C(O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1)OCC"]
["171541540","CCC(C)NC(C(O)=NCC(=O)Nc1ccc(COC(=O)C(C)C)cc1)C(C)C.CCCNC(=N)O"]
["170002522","O=C(NCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(O)=NC1=O)C2=O)c1ccc(-n2cc(N=C(O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)(F)F)n2)cc1"]
["34090290","Cc1cn(CCOCCOC(O)=N[C@@H](CCCNC(=N)O)C(=O)O)c(=O)nc1O"]
["57523312","CC(C)CCOCCNC(=O)c1ccc(C(=N)NO)cn1"]
["175552296","Cc1cc([C@@H](C)N=C(O)OC(C)(C)C)c2oc(-c3ccc4[nH]c(C)cc4c3)c(C)c(=O)c2c1"]
["168444960","N1=[S+]N=[S+]C1=C1N[SH+][N-]S1"]
["23218475","CC(Cl)c1n[nH]c(C(C)Cl)n1"]
["26912587","Nc1[c]ccc(-c2ccccc2)n1"]
["85834389","Cc1nc(CC(C)(CN)C(C)O)sc1C"]
["96687663","N1=[S+]C(=C2NSN=[S+]2)NS1"]
["88657897","Cc1nc(CC(C)(CBr)C(C)C)sc1C"]
["24094854","C[C@H](Cl)c1n[nH]c([C@H](C)Cl)n1.Cl"]
["105351785","C[C@H]1N[C@H](C)c2c(O)n[nH]c21"]
["84108633","CCOC(=S)c1c[nH]nc1OCC"]
["101843419","CC1NC(C)c2c(O)n[nH]c21"]
["75315814","[O-][N+]1([O-])C=CN[S+]=N1"]
["174973328","O=Nc1n[nH]c(N=O)n1"]
["173926123","[B+]=[O+]c1cc([CH-][CH-]C)cc(-c2cc([CH-][CH-]C)ccc2[O+]=[B+])c1"]
["54957776","C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4CCN3C[C@@H]12"]
["25202583","Cc1ccc(-c2cc([Si](C)(C)C)oc2-c2ccc(Cl)cc2)cc1"]
["147829126","COc1cccc2c1C(c1ccccc1)=C(C(=O)O)C2=O"]
["MCULE-9872819591","COCC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(C)n(-c3ccccc3)n1)CC2"]
["28494588","Br.CC(CCOc1ccc(Cl)cc1-c1ccccc1)N(C)C"]
["185604305","CC1=C(C)C([Si](c2ccccc2)(c2cc(C)ccc2C)c2cc(C)ccc2C)C(C)=C1C"]
["85851457","C[C@H](O)c1ccnc(N(C)Cc2ccco2)c1"]
["33715661","CC(C)Cn1c(C(C)(C)C)cc(C(=O)O)c1-c1ccccc1"]
["70630764","COc1ccc(N2C(=S)N(Cc3ccccc3)C3C4OC(=O)C(CC4O)C32)cc1"]
["51103664","NC1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)C[C@@H]2C1"]
["134339458","CC(C)Cc1cc(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)n[nH]1"]
["32072980","C[14c]1[14c](N)[14cH][14c]([N+](=O)[O-])[14cH][14c]1[N+](=O)[O-]"]
["51303318","Cc1cc([N+](=O)[O-])c(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1N"]
["115012723","Cc1cccc(NCc2ccc(CCN)cc2)c1[N+](=O)[O-]"]
["68791911","Cc1cnc(Nc2ncc(Br)cc2[N+](=O)[O-])s1"]
["174903881","C[N+](=O)[O-].O=P(Cl)(Cl)Cl"]
["180487634","CC1=CC([N+](=O)[O-])=CCC1N1CCN(C(=O)c2cc(F)c(C)cc2N)CC1"]
["175185379","N=[N+]=N.N[N+](=O)[O-]"]
["157261759","CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1O"]
["61329582","Nc1ccc(S(=O)(=O)N2CCCC(O)C2)c([N+](=O)[O-])c1"]
["29780305","C[C@H](N=c1[nH]c(Nc2ccc(Cl)cc2)ncc1[N+](=O)[O-])C(=O)O"]
["95028510","O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)cn1"]
["104715851","CC[C@H](CO)Nc1cccc(F)c1[N+](=O)[O-]"]
["97031892","C1=C2C=CC=1/C=c1/cc/c([cH-]1)=C/C1=[C-]/C(=C\\C3=C/C(=C\\2)C=C3)C=C1"]
["105637550","C[C@@H](O)CN(C)C(=O)Cn1ccc(=N)[nH]1"]
["170458304","O=[N+]([O-])c1ccccc1/C=C/C=C/C=C/c1ccccc1[N+](=O)[O-].O=[N+]([O-])c1ccccc1/C=C/C=C/C=C/c1ccccc1[N+](=O)[O-]"]
["104527507","O=[N+]([O-])c1ccccc1/C=C\\C=C\\c1ccccc1[N+](=O)[O-]"]
["183291140","C/C=C/C=C/c1ccccc1Cl"]
["133362785","CN(Cc1cc2ccccc2o1)C(=O)CN1C(=O)CN(C)C1=O"]
["164578363","Cc1cc(C)c(C2=C3C=CC(=N3)/C=C3/C=CC(=C3)/C=C3/C=C/C(=C(\\c4c(C)cc(C)cc4C)c4ccc2s4)[NH2+]3)c(C)c1"]
["60699633","O=C1C=Cc2ccc3c4c(ccc1c24)C(Cl)=CC3=O"]
["26087176","CC=CC=Cc1ccccc1[N+](=O)[O-]"]
["118865222","CC(O)CN(C)C(=O)Cn1ccccc1=O"]
["104503221","O=C1/C(=C\\C=C\\c2ccccc2[N+](=O)[O-])CCc2ccccc21"]
["80934506","O=C(C=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1"]
["78125836","C=[C-]C[S+](CCC)C(=O)[S-].C=[C-]C[S+](C[CH-][CH2-])C(=O)[S-].[Mo+4]"]
["91206227","C=C(CCC(C)=O)C(=CC(=O)N(C)C)CCCCC"]
["174623093","C=C=C.CCCC(C(=O)O)C(=O)O"]
["185560610","CCCOC(C)COC(C)C(=O)[S-]"]
["49483387","CCCC(F)C(=O)[O-]"]
["96626225","CCCCC(=O)OO[N+](=O)O"]
["99201661","CCCOC(=O)C(C)(C)N=NC(C)(C)C(=O)OCCC"]
["182898565","CCCCC(CCC)C([Si])C(=O)[S-]"]
["62159017","CCCCNCC(O)C/C(=C/C(=O)O)C(=O)O"]
["47410085","CCCC(F)C(=O)OC"]
["173660417","C#CCCC.C=C(N[C-]=O)C(=O)O.[Fm]"]
["26479847","[CH2]N(C)C(=O)CCC"]
["168909114","CCCO[P+]1=NP(OCCC)(OCCC)=NC(C)=C=NC1C"]
["185137680","CCCOP(=O)(OCCC)C1SC(=N)S1"]
["169839931","CCCOC(=O)CN(CC(O)CO)c1nn[nH]n1"]
["26081113","CCCOCCOCCC1=CC=C=C[CH]1"]
["33296530","CCOC(=O)[C@](C)(Cc1ccccc1)C(C)=O"]
["114083840","CCCOc1ccccc1C(NC)C1CCCC1C"]
["99014512","CCCOC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1ccc(OC(C)=O)cc1"]
["200579142","CCCOC(C)=O.O=C1C=CC(O)=N1"]
["161817169","CCCOC(OCCC)=C1COCCC1C"]
["74789228","CCCCOc1c[nH][c]c1-c1ccccc1"]
["45085030","CCCCOc1ccc(C)n(CCCC)c1=S"]
["85649381","CCCOc1ncnc(NCCCOC)c1N"]
["159127176","Brc1cc(Br)c(SSc2c(Br)cc(Br)c(Br)c2Br)c(Br)c1Br.Brc1cc(Br)c(SSc2cc(Br)c(Br)cc2Br)cc1Br"]
["101747062","O=[N+]([O-])c1c(F)c(F)cc(Br)c1Cl"]
["108595867","CNCCCc1cc(OC)c(Br)cc1OC"]
["157061609","O=C(O)[C@H](O)c1cc(Br)c(Br)cc1Br"]
["112318733","CCSc1ccc(C(F)C(=O)O)cc1Br"]
["94751332","COc1cc(C(O)C2C3CCCC32)c(OC)cc1Br"]
["115063576","CCCSc1cc(C)c(N)cc1Br"]
["115063554","Cc1ccc(Sc2cc(C)c(N)cc2Br)c(C)c1"]
["184786099","O=C(ON1C(=O)C=CC1=O)c1c(Br)cc(Br)c(O)c1Br"]
["145571073","Cc1c(F)cc(I)cc1Br"]
["26048400","O=c1cc(O)c2c(Br)cc(Br)c(Br)c2[nH]c1=O"]
["185438225","Nc1ccc(Sc2c(Br)cc(Br)cc2Br)c(N)c1"]
["179403186","CC(C)N1[C@H]2C(C)[N@+]2(C(C)C)N(C(C)C)C(C)[N+]1(C)C(C)C"]
["194574026","CC(C)[C@@H]1C[C@@H](O)[C@H](C(C)C)C1"]
["89348825","CC(C)N1CCCC(O)C1C"]
["88160217","C[C@@H]1CC(O)(CN)C[C@H](C)N1C"]
["179545171","COC1C(C)CCC1[C@@H](C)C(C)C"]
["162896873","CC(CN)N1C2CCCC1CC2"]
["199188517","CC(C)[C@@H]1CN(C(C)C)C[C@H]2CN(C(C)C)C[C@@H]21"]
["79101767","CC1CCC(C(C)C2CCC3C(C)C(C)C(C)CC23)CC1"]
["61167078","CC(C)C1CC2CN(C(C)C)CC21"]
["91337415","COC1CCC[N+]1(C)C(C)C"]
["94074123","CC1CC(C)N(C(C)C(C)CN)C1"]
["99741772","CC1=C(C)[N+](C)(C(=O)O)C(C)N1C"]
["179875732","[O-][C@@H]1C[N-]C2(CC2)[C@H](C#CC(F)F)C1.[U]"]
["181035206","CC(C)CCCCCC1CC(C(=O)[O-])CCC1(CCC(C)C)C(=O)[O-]"]
["181888336","O=C([O-])N1CC2(CN(CC(F)F)C2)C1"]
["61197760","NC1CCC(F)(I)C1"]
["112333320","CSCC1CCC(F)(F)CN1"]
["57794402","CC1(C)CCC(NC(c2ccc(F)cc2)C(C)(C)C)CC1"]
["196361532","Cl.FC[C@H]1CC2(CC2)CN1"]
["162536872","CC1CN(CC(F)F)C(C)(C)C1"]
["158111906","C[C@@H]1NCCC[C@]1(F)C(F)F"]
["199105014","Cl.FC(F)C1CNCC12CCCCC2"]
["32066212","C[C@@]12CCc3c(C(F)F)cccc3[C@H]1CNC2"]
["85374077","CC(C)(C)C(Cn1ccnc1)NC1CCCC1(C)C"]
["97597299","CN1CCN(C)[Si]2(N(C)CCN2C)/[Si]1=[Si]1\\N(C)CCN(C)[Si]12N(C)CCN2C"]
["79091028","CN1CCCC1=[N]"]
["190455614","NC1CCN(CCN2CCCC([O-])CC2)CC1"]
["161838280","[Si-]=[O+]N1CC1"]
["147920965","CN1CCN(C)C1=[Cl+].FB(F)F.[F-]"]
["27167583","CN=C(O)C1CCCN1C"]
["196591584","CC.CC.CN1CCC(C(F)(F)F)CC1"]
["57762103","CC(C)N1CCN(C(C)C)C1Cl"]
["188140505","CN1CCN(C)C1=NP"]
["63008491","C=S1C=CCCN(C)N1C"]
["44859478","CN1CCC(C(C)(C)C)C(C(C)(C)C)C1"]
["200150834","CCC1(CC)C[CH-]CCN1C.[K+]"]
["178228546","N[C@@H]1C2=CC34CC1CC3C[C@@]4(O)C2"]
["197483928","Cc1ncc(C2(C(=O)O)CC(N)C2)s1"]
["107641347","Cc1ccc2c(c1)OC[C@@](O)(CN)C2"]
["154629751","Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)N2"]
["104038200","CC1(C)[C@H]2CC[C@H](C2)[C@@H]1CC(=N)O"]
["175139274","CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@]1(C)[NH3+]"]
["485691","Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1-c1cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)cc1C"]
["59435704","NC(NC1C2CC3(O)CC1CC(O)(C2)C3)C1CCCC1"]
["144669331","Nc1c(Br)cccc1C1(O)CCCC1"]
["185001510","CC1CCC2CC1=CC(C)(O)C2"]
["164564363","C[C@@H]1C[C@](CO)(Cc2ccccc2)C[C@H]2C[C@H]21"]
["162657303","N[C@@]12C[C@@H](O)C[C@@H]1C2"]
["53512342","[C-]#[N+]C1=NC(=NN=C2N=C(C#N)C(NNc3c(C)cc(=Nc4c(C)cc(C)cc4C)[nH]c3Nc3c(C)cc(C)cc3C)=N2)N=C1[N+]#[C-]"]
["81493971","CN=c1[nH]c(NCCCO)c(NN=C2N=NC=C2C#N)c(=Nc2c(C)cc(C)cc2C)[nH]1"]
["111519856","COC(CN=C(O)Nc1c(C)cc(C)cc1C)CC(=O)O"]
["103602148","Cc1cc(C)c(N=C(O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1"]
["20302453","Cc1cccc2c1[nH]c1nc(N/N=C/c3ccc([O-])c([N+](=O)[O-])c3)nnc12"]
["70191197","[C-]#[N+]c1cc(CN2C(=O)N=C(O)C(C(C)C)C2C(=O)c2cc(C)cc(CCC#N)c2)ccn1"]
["198231525","Cc1cc(=NC2CCC(F)CC2)[nH]c(-n2nc(C)cc2C)n1"]
["115681793","Cc1cc(C)c(N=C(O)Cc2noc3cc(C)c(C)cc23)c(Cl)c1"]
["180981959","Cc1cc(O)c(N=[N+]=[N-])c(C#N)c1"]
["120070899","COc1nc(Nc2c(C)cc(C)cc2C)ncc1Br"]
["MCULE-1041771397","Cc1cccc(-c2cn3nc(C)c(C#N)c3[nH]2)c1C"]
["MCULE-9564783530","Cc1ccc(C)c(C(O)=Nc2c(C)cc(C)cc2-c2ccc(F)cc2C#N)c1"]
["190693802","BrC(Br)c1ccc(C(Br)Br)c(C(Br)Br)c1C(Br)Br.Br[C@H]1c2ccc3c(c2[C@@H]1Br)[C@H](Br)[C@H]3Br.[Ni]"]
["61093441","CC(C)c1ccc(C(Br)C(C)C(C)C)c(C(C)C)c1"]
["176162177","[2H]C1=Cc2c([nH]c3c([2H])c([2H])c([2H])c([2H])c23)C([2H])(Br)C1[2H]"]
["29394313","CCCC1CCC(OC(=O)c2ccc(C3CCC(C)CC3)c(F)c2C(F)F)CC1"]
["13002622","O=C1[C@@H](Br)[C@H]2c3ccccc3[C@H]([C@H](Br)C(=O)[C@@H]2Br)[C@H]1Br"]
["108176607","Clc1cccc(C2=NN=C[C@@H]2Br)c1"]
["94542006","OC(c1ccc(Br)cc1F)c1ccccc1C1CCC1"]
["55220929","Fc1ccc(C2CNC3(CCCCC3)CO2)c(F)c1"]
["187205485","[3H]c1ccc2c(c1)C(C(C)C)CC2"]
["87303983","Cc1ccc(C(O)C2CCOC3(CCC3)C2)c(Br)c1"]
["64500547","Cc1cnccc1C(C(C)C)C(C)Br"]
["171871531","N#CC(O)C(O)c1c(Br)cccc1Br"]
["174010602","[B]=[B-](O[NH2+]C)OC([OH2+])=N[B+]N=C(C)[O-].[H+]"]
["172640250","CC([O-])=N/N=C(\\C(=O)O)c1ccccc1"]
["5491953","CC(=O)Oc1c(I)cc(C(=O)[O-])cc1I"]
["11448386","CC(=O)N(C)c1ccc(OC[C@H](O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1"]
["3361753","CC([O-])=Nc1ccc(S(=O)(=O)N=C(O)[C@H](C)Oc2ccc(F)c(F)c2)cc1"]
["128485123","COc1ccc(NC(O)=NC(C)CO)c(C)c1"]
["15210150","C/C(=N/N=C(O)OC(C)(C)C)c1cccc(-n2cnnn2)c1"]
["4402043","COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N=C(C)O)cc2)C1"]
["9671939","CCOc1ccc(/C(C)=N/N=C(O)OC(C)(C)C)cc1"]
["83590782","CC(C)(C)OC(O)=NC(C(=O)[O-])c1ccc(F)cc1"]
["4946278","CCOc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(N=C(C)[O-])cc2)cc1"]
["55816779","CC(C)(C)OC(O)=Nc1cccc(CC(=O)[O-])c1Cl"]
["147769705","C=C1C=C[C-](N/N=C2\\C(=O)C(C(=O)[O-])=[C-]c3ccccc32)C(S(=O)(=O)[O-])=C1.[Ca+2].[Ca+2]"]
["76507233","O=C(O)[C@@H](Cc1ccccc1)N=C(O)Cc1c(F)ccc2c1C=CC2NS(=O)(=O)c1ccc(Cl)cc1"]
["56915265","C=C1c2ccccc2C(=O)N1C(C)C(O)=NC1CCc2ccccc21"]
["104378033","C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1"]
["895157","CC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1"]
["168140072","O=C(O)C1=Cc2ccccc2/C(=C\\c2c(O)nc(O)nc2O)C1=O"]
["187251815","COC(=O)N1CCN2C(=O)c3ccccc3[C@H]2C1.Cl"]
["51000294","Cc1cc(C(C)(C)C)c(N(C(=O)[O-])S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1"]
["173467042","CCN1C(=O)C=C(C)C(=NNc2cc(C(=O)[O-])ccc2C(=O)O)C1=O.[Cm]"]
["34520298","CCOC(=O)C(CCS(=O)(=O)c1ccccc1)(CCS(=O)(=O)c1ccccc1)[N+](=O)[O-]"]
["70106210","O=C1C(=NCOc2ccncc2)C=C(NN=c2nc(-c3ccccc3)[nH]o2)c2ccccc21"]
["69554836","COCCN(C(=O)CCl)C1=C(N2CCC(C)CC2)C(=O)c2ccccc2C1=O"]
["195304057","Cc1cc2c(cc(CCc3cc4c(cc(CCc5cc6c(cc(C)c7snnc76)c(N=N)c5S)c5snnc54)c4nnsc34)c3onnc32)c2nnoc12"]
["49413506","Cc1ccc(-c2noc(CCC(O)=Nc3c(C(C)C)cccc3C(C)C)n2)cc1F"]
["135247516","Cc1ccc(-c2noc(CCC(O)=NC(C)C(C)c3ccccc3)n2)cc1F"]
["62101699","Cc1cc(CSc2ccccc2O)on1"]
["113682301","COc1cc(COc2ccc(Cl)c(C)c2)ccc1C(=N)S"]
["2923763","Cc1cc(C)c2nc(O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1"]
["104160722","Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3cccnc3C)C2)on1"]
["91583863","Cc1nnsc1SCc1ccccc1"]
["175782085","Cc1ccc(C(=N)O)c(-c2ncc(Cc3cccc(Cl)c3)s2)c1"]
["180262110","ICc1ccc2nnsc2c1[N-]I.[Al+]"]
["120273467","Cc1cc(C(=N)S)cc(=NCC2CCOC2C)[nH]1"]
["92112555","Cc1cc(Br)c(N=C(O)c2snnc2C(C)C)cc1Cl"]
["78297894","[2H]c1[c]c2c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c([2H])c(c5c([2H])c([2H])c([2H])c(c1[2H])c25)c43"]
["161828581","[2H]c1cccc(P(C)C)c1"]
["176168835","[2H]c1ccc(-c2c(Cl)c([2H])c([2H])c([2H])c2-c2ccc([2H])c3c2oc2c([2H])c([2H])c([2H])c(-c4cc([2H])c([2H])c([2H])c4)c23)cc1[2H]"]
["199758784","[2H]c1c([2H])c(C#N)c2c(-c3c([2H])c([2H])c([2H])c4c(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c([2H])c([2H])c([2H])c34)c([2H])c([2H])c([2H])c2c1[2H]"]
["197706939","[2H]c1c([2H])c([2H])c2c(-c3ccc4ccc5cccc6ccc3c4c56)c([2H])c(-c3ccc4ccc5cccc6ccc3c4c56)c([2H])c2c1[2H]"]
["200465223","[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c3c([2H])c([2H])c([2H])c(O)c3c([2H])c([2H])c21"]
["197706599","[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5c([2H])c([2H])c6c([2H])c([2H])c7c([2H])c([2H])c([2H])c8c([2H])c([2H])c5c6c78)c4)c4c([2H])c([2H])c(c1[2H])c2c34"]
["200084969","[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1cccc2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc12"]
["161298000","[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c12.[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c12"]
["172081659","[2H]c1c([2H])c([2H])c(-c2cccc(-n3c4c([2H])c([2H])c([2H])c5c4c4c3c([2H])c([2H])c([2H])c4n5-c3c([2H])c([2H])c4c(c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3n4-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)c([2H])c1[2H]"]
["199179821","[2H]c1c([2H])c([2H])c2c(sc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1Cl"]
["169128086","[2H]c1c([2H])c([2H])c2c(c1[2H])c(C(=O)C1C(C)(C)C1(C)C)c([2H])n2CCCCCO"]
["98693386","CC.C[Si]1=CO[SiH2]OCO[SiH2]O1"]
["161778988","CC(C)N=C1CCC(CSc2ccccc2)O1"]
["79521924","C1=CO[SiH2]OC1"]
["78450401","C[Si]1(C)O[SiH2]OCO[SiH2]O1"]
["87683634","CCCC(O)c1ccc2c(c1)C(N=C(O)C1CC1)CCO2"]
["105996475","CCC[C@H](O)c1ccc2c(c1)[C@@H](N=C(O)C1CC1)CCO2"]
["96218190","CC(C)C(=O)Nc1ccc(NC(C)c2ccc(Br)o2)cc1"]
["193227483","CC.O=C1OCO1"]
["98260416","C[Si]1=CO[SiH2]OCO[Si](C)(C)O1"]
["144843068","Cc1cc(CO)c2c(c1C)OCO2"]
["105996474","CCC[C@@H](O)c1ccc2c(c1)[C@H](N=C(O)C1CC1)CCO2"]
["144861069","CNCCc1cc(C)c(C)c2c1OCO2"]
["183943117","[N-]=N[N+]#SC1(SN2CCCC2)C(NC2(NN3CCCC3)CCCNC2)CCN(OC2CCNCC2)C1(NC1CCNCC1)OC1(ON2CCCC2)CCCNC1"]
["111212065","OC1CCCC1N1CCCC2(CCCNC2)C1"]
["107603684","CN1CCN(C[C@@H]2CCNC[C@@H]2N2CC[C@]3(CCNC3)C2)CC1"]
["181884983","COC(ON=[N+]=[N-])(C1CCNCC1)C1(OC)C(OC)(C2CCCN(C)C2)C(C2CCCNC2)N(C)C(OC)(C2CCCCN(C)C2)C1(OC)C1CCCCNC1"]
["170170271","COC(=O)C(Cc1ccc(OC(=O)N2CCCC2)cc1)N=C(O)C1CCCN1.Cl"]
["161010002","CC1(F)CNCCN(C(O)=NC2CCCNC2)C1"]
["160992593","CC(C)(C)C1CC(N=C(O)N2CCCC3(CCNC3)C2)CCO1"]
["160977563","CCN1CCCC(N=C(O)N2CCC3(CCCNC3)C2)C1"]
["98305933","C=C=CN=C(NC1CCCNC1)C1=CC(C(C=CCCOCN=C)=CC)CC(C=O)=C1C"]
["4481257","CCOCCCN=C(O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(C)cc1"]
["104879996","CCOCCCN=C(O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1"]
["58264126","CC1(CNC2CCN(C3CC3)C2)CCCNC1"]
["173101824","CCCCCC(N)c1ccc(C2(C)COC(c3c(F)ccc(CNC(CCCCC)c4ccc(C(C)([NH-])CCl)cc4)c3F)=N2)cc1.Fc1[c-]c(F)ccc1.[Co+2]"]
["184266238","CCCCC(C)(CCC)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3c3nc(-c4ccccc4)c[n+]([C@@H](C)[n+]4ccccc4C(=O)OC)c3c12"]
["187913697","CCN(Cc1ccc(C(F)(F)F)cc1F)c1ncnc(NC[C@@]2(O)CCN(CC(=N)O)C[C@@H]2O)c1F"]
["90816343","CCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C1CCC(C2CCC(C(CCCCCCCCCCC(CC3(Sc4ccccc4)CC(C)OC3=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)O1"]
["96248177","CCSCC(C)NCc1c(F)cccc1Cl"]
["33977672","CC(C)(C)[C@H](N=C(O)CC1CCCCC1)C(=O)N1C[C@@]2(CC(c3cccc(Cl)c3)=NO2)C[C@H]1C(O)=NC(CC1CCC1)C(=O)C(=O)NC1CC1"]
["46393626","CCCNC(CO)c1ccc2c(c1)CCO2"]
["MCULE-7512042181","CCCc1cc(C(=O)NCc2ccco2)nn1Cc1c(F)cccc1Cl"]
["94526583","Cc1cc(F)cc(C(O)Cc2cc(Cl)cc3c2OCC3)c1"]
["17470609","CCCCCC[C@@H]1C[C@@](C)(c2csc(=Nc3ccccc3Cl)[nH]2)OC1=O"]
["33740238","CCCCCCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H]2CC[C@@H]([C@H](CCCCCC3(Sc4ccccc4)C[C@H](C)OC3=O)O[Si](C)(C)C(C)(C)C)O2)O1"]
["120233657","CC[C@@H](N)c1ccc(N(C)Cc2ccco2)cc1"]
["173744219","[B]=C1C(=[B])C(=[B+])[C-]2[C-](N=C(O)N2C([B+])([B+])C([B+])([B+])C([B+])([B+])N2CCC(N3C(O)=N[C-]4[CH-][C-](Cl)[CH-][CH-][C-]43)CC2)C1=[B+]"]
["172030614","C1=CC2CCn3ccnc3C2=[C-]N=1.C[Si](C)(C)c1cnc2n1CCC1C=C=N[C-]=C21.[Ir]"]
["200240875","CC.CC(C)(C)N=C(O)CN1C2CCC1CN(Cc1nc3c(Cl)ccc(F)c3[nH]1)C2"]
["45457946","CNc1c(Cl)cc(C[C@@H](CC(=O)N2CCC(N3Cc4sccc4N=C3O)CC2)C(=O)N2CCC(N3CCNCC3)CC2)cc1C(F)(F)F"]
["172421671","O=C(N1CCC(n2nccc2C2CC2)CC1)N1CC(F)(F)C(F)(F)C1"]
["143703929","Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(N2CCCC2)CC1"]
["198209630","CC(C)(C)c1nnc(N2C3CCC2CC(O)C3)s1"]
["140564069","O=C(CN1C2CCC1CC(O)C2)N1c2ccccc2N=C(O)CC1C(F)(F)F"]
["136743183","O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CCN(C2CC2)CC1"]
["113661706","OC1=NCC2C1CCCN2c1cc(Cl)nc(C(F)(F)F)n1"]
["200266921","CC(C)(c1cc(O)c(N2CC(O)=NS2=O)c(F)c1)C1CCNC1"]
["197600599","CC(=O)N1CCC(n2ncc(C(=O)O)n2)CC1"]
["162631413","OC(C#CBr)=NC1CCC2CCC1O2"]
["159106304","CC(C)(C)OC(O)=N[C@@H]1CCOC[C@H]1Cl"]
["129418222","OC(=NC1CC2CCC1O2)N1CCOCC1CC(O)c1ccccc1"]
["160073391","Cc1nnccc1N=C(O)C1CC2CCC1O2"]
["138485364","Cc1ccc(-c2nnc(S)n2CCC(O)=N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1"]
["108984459","C[C@]1(C(=O)O)C[C@@H]2CC[C@@H]1O2"]
["158625351","O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CSC[C@@H]1C(O)=NCC1CC1"]
["94926304","N=c1[nH]ccc(C(O)=NC2CC3CCC2O3)c1F"]
["18116368","CC(C)(C)n1cc(N=C(O)[C@H]2C[C@H]3CC[C@@H]2O3)cn1"]
["150996314","Cc1ccccc1C(O)=N[C@@H]1CNCC[C@@H]1C"]
["131968829","CC(CC(=O)c1ccco1)N=C(O)CC1CCCO1"]
["109618680","CN=C(O)[C@@H]1C[C@@H]2CN(CC(C)C)C[C@H]1O2"]
["79302159","[C]1CCC2=C(C1)CCCC2"]
["73482103","C1=CC2=C(CCC[N]2)CN1"]
["175243362","N#CC1CCC2=C(CCCC2)C1"]
["83992625","ClC1(Cl)CC2=C(CCCCCC2)C1"]
["66081632","CC1=NCC2=C(CCC2)C1"]
["195196950","O=CC1C=CCC2=C1CCCC2"]
["195305248","C1=CC2=C(CC1)CCCS2"]
["178905864","CN1CC2=C(CCCC2)C2OC21"]
["91278840","O=C1CCC2=C(CCCCCC2)C1"]
["167215645","C[C@@]1(OC[Se]c2ccccc2)CCC2=C(CCCC2)C1"]
["62888681","CC(C)C=C1CCC(=C2CCCC2)C1O"]
["74217459","CC1CC2=C1CCCC2.O=C(O)O"]
["183904255","CC=C1C(=O)CC(=O)CC12CC(=O)CC(=O)C2"]
["13390348","CC(C)=C1CC(C)(C)CCC1=O"]
["34462862","CC(=O)C1(C)CC(=O)CCC1=O"]
["90581554","CC=C(Cl)C1=C(Cl)CC(C(=O)O)CC1=O"]
["196797245","O=C1CCC2(CCC(O)CC2)C1"]
["170895599","CSc1sc(C(=O)CN(C)C)c2c1C(=O)CC(C)(C)C2"]
["26333282","CC=C1C2C=C(C)CC1(C(=O)O)c1ccc(OC)nc1C2CC"]
["101151352","CC(C)(C)/C=C/[C@]1(C)CCCC(=O)C1"]
["1073711","C/C=C1\\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C"]
["169129528","CC1(C)CC1=CC(=O)O"]
["33695336","C=CCC1(O)C(=O)C(C=C(C)C)=C1OC"]
["172493608","COC1CCC(=O)C1=O"]
["75785309","C1=CSC(C2=CSSS2)S1"]
["82012066","O=C1C=CC2SC=CC2=N1"]
["161707325","NC1=CSSS1"]
["26665251","c1ccc(C2SCCS2)nc1"]
["192267123","FC(F)(F)C1SC=CS1"]
["172283872","NC(C=O)=CCc1ccccc1"]
["66880057","CC1N=C2N=C(O)CN2c2ccccc21"]
["174470638","C1=CSC(c2cccc3ccccc23)S1"]
["74892856","OC1=c2ccccc2=C2C=CSC12"]
["179318274","C1=CC2SSC3=CC=C4SSC1=C4C32"]
["174270848","CC1=CSSc2ccccc21"]
["64440741","CCOCCC1=CSC(CC(=O)c2ccccc2)C1=O"]
["150063776","CCC(C)(CC)NCCC[Si](C)(C)C(C)(C)O[Si](C)(C)C(C)(C)O[Si](C)(C)CCCNC(=O)C(=O)C(CC)(CC)C(CC)(CC)NNC(=O)C(=O)C(C)(CC)CC"]
["134215666","CCCNC(=O)c1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1"]
["44425910","C=C(C(=O)OCCCC[Si](OCC)(OCC)OCC)C12COCC1C2"]
["176674649","CCCCC(=C\\[Si](C)(C)C)/C(CC)=C(CC)\\C(=C\\C(=O)OC)C(=O)OC"]
["174233810","CCS(=O)(=O)N[C@@H]1CN(C(=O)O)[C@H](CO[Si](C)(C)C(C)(C)C)C1(F)F"]
["50819067","CNCCCC(C)(C)[Si](C)(C)CCCN=C(O)C1CCN(C(C)(C)C(=O)c2ccc(SC(C)=O)cc2)CC1"]
["118440641","CN=C(NCCCCC(=O)OC)NCCc1nc(C(F)(F)F)cs1.I"]
["139873143","CCCNC(=O)C(=O)Nc1ccc(C)c(OC)c1C"]
["133375908","CC(C)(C)c1csc(CNC(=O)C(=O)Nc2nc3c(s2)COCC3)n1"]
["4839551","CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(C)(C)CC)CC1"]
["16145379","COCc1cccc(NC(=O)C(=O)NCCCOc2ccc(Cl)cc2C)c1"]
["62395741","CCCC(N=C(O)[C@@H]1[C@@H]2[C@H](CN1C(=O)C(N=C(O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCCC1=CCCCC1"]
["195959205","c1n[c-]2[c-]([N+]3=I[NH2+]C3)cc(C3CS3)cc1-2"]
["85737649","Cc1sc(Br)cc1S(=O)(=O)N(C)C1CC1"]
["74510571","C#Cc1cncc(C2=CCCC3CCNC23)c1"]
["178504036","CC1=C=C(c2cc(Br)sc2C)[C-]2OCCI=C2C1"]
["92753021","CCNC(CC1CCCCCC1)c1sc(C)cc1C"]
["109163942","CCCC[C@@H]1C(=O)N(C)CCN1Cc1cc(=O)n2[nH]c(C)cc2n1"]
["162865645","CCc1ccc2c(I)c(S)sc2c1"]
["53481414","CCc1ccc(C2NC(C)CCS2)cc1"]
["159969497","O=S1(=O)CCC(N(Cc2cnc(-c3ccccn3)s2)C2CC2)C1"]
["MCULE-6165500692","CCOc1ccc(C2CSc3nncn3N2C(=O)c2cc(OC)cc(OC)c2)cc1"]
["92746203","Cc1cncc(C2CC(C)CCC2CN)c1"]
["23675181","COc1ccc2nc(-n3nc(C)c4c3N=C(O)CSC4c3ccc(C(F)(F)F)cc3)sc2c1"]
["74492820","C=C1c2c(Br)c3c(c(Br)c2C(=O)N1CC(F)(F)C(F)(F)C(F)(F)F)C(=O)N(CC(F)(F)C(F)(F)C(F)(F)F)C3=O"]
["159115370","C[C@H]1NCN(CC(C)(F)F)C1=O"]
["160150082","O=C1C(N2CCN(c3cc(C4CC4)[nH]n3)CC2)CCCN1CC(F)(F)F"]
["MCULE-9003495627","O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1CCCC(O)=Nc1cc(Cl)ccc1Cl"]
["74038540","OC(=NCC(F)(F)C(F)(F)C(F)(F)F)c1ccnc2c1ccc1c(C(O)=NCC(F)(F)C(F)(F)C(F)(F)F)ccnc12"]
["MCULE-3867618481","Cc1cc(Cl)ccc1NC(=O)CCCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O"]
["MCULE-8092290867","CCCCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2ccc(OC)cc2OC)C1=O"]
["CSSS01066357399","Cn1c(=O)ccn(C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1=O"]
["46904556","CC(O)(CN1C(=O)c2ccccc2C1=O)C(F)(F)F"]
["199584325","O=C1C=C(Nc2c([N+](=O)[O-])cc(Br)cc2C(F)(F)F)C(=O)N1CCO"]
["MCULE-7557687623","Cc1cc(C)c(C2=C(Nc3ccccc3C(F)(F)F)C(=O)N(C(c3ccccc3)c3ccccc3)C2=O)c(C)c1"]
["161768895","Fc1c(F)c(-n2nc(C(F)(F)C(F)(F)C(F)(F)F)nc2C(F)(F)C(F)(F)C(F)(F)F)c(F)c(F)c1Br"]
["176654006","CC(C)[C-]=C[N-]C1=C=[N+]=[C-]O1.[W].[Y]"]
["89388324","CC(C)Cn1c(CCN)nnc1N(C)C"]
["33032755","C=CO[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C"]
["77013423","CC(C)=C1C(=O)C=CN=C1C(C)C"]
["144946830","CONCc1c(C(C)C)ccc(C(C)C)c1OC"]
["47365842","CC(C)[C-]=Cc1[c-]cccc1.[Y]"]
["34037279","CC(C)[Si](OC[C@@H](C)C[C@H](C)[C@H](C)Cl)(C(C)C)C(C)C"]
["100894444","C/C(I)=C/[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C"]
["19087417","Cc1c(C[C@H](O)[C@H](C)[C@H](O)C(C)C)oc(=O)c(C)c1O"]
["97405828","CC(C)c1cccc(C(C)C)c1/N=C(/C=C/C(=N/c1c(C(C)C)cccc1C(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["44007807","CC(CO)COP(=O)(N(CCCl)CCCl)N1CC1"]
["69471755","CCC[C@H](C)C[C@@H](C)C[C@H](C)/C=C(\\C)c1oc(=O)c(C)c(O)c1C.CC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\\C)c1oc(=O)c(C)c(O)c1C"]
["183652048","N#[N+]N=[n+]1c(-n2c(-c3nncc4ccccc34)nc3nc(-[n+]4nccc5ccccc54)nc-3c2-n2c[nH+]c3ccccc32)nc(-[n+]2c(-n3ncc4ccccc43)ccc3[nH+]cccc32)c2c1=NC([n+]1c[nH+]cc3ccccc31)=C([n+]1cc[nH+]c3ccccc31)[N]2"]
["175950522","Cn1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c2ccccc21"]
["29444364","N=C(O)C1(N)CCN(c2ccccc2N=C(O)c2csc(-n3ncc4ccccc43)n2)CC1"]
["185934067","O=C(O)Cn1cnc2c(-n3ncc4ccccc43)nc(N3CCC(O)(c4ccccc4)C3)nc21"]
["186432002","O=C(c1ccc(-n2ncc3ccccc32)cc1Cl)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1"]
["186873076","CC(OC(=O)c1ccc(-n2ncc3ccccc32)cc1)C(=N)O"]
["189250542","C1=CC(C2(c3ccc4ccccc4c3)c3ccccc3-c3c2cc(N(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)C2CCC4c5ccccc5OC4C2)c2c4c(oc32)CCC=C4)=CCC1"]
["177087717","CC(=N)NC(=Nc1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4cc32)c1)c1c(C)cc(-c2cc(C)cc(C)c2)cc1C"]
["185933225","Clc1nc(-n2ncc3ccccc32)c2ncn(-c3cccnc3)c2n1"]
["197987632","OC(=NC1CCCN(Cc2cn(-c3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)C1)c1ccc(-n2ncc3ccccc32)c(Cl)c1"]
["86796912","N=C(S)c1cc(F)c(-n2ncc3ccccc32)c(F)c1"]
["88020166","Cc1ccc(-n2ncc3ccccc32)cc1N"]
["100250794","COC1=C(OC)CC2CN=C3C4=CC5OCOC5=CC4N=CC3=C2C1"]
["21738580","COc1ccccc1N1CC[NH+](C[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)CC1"]
["187211078","COc1c(Cl)cccc1COC1C[C@@H](C)CO1"]
["173965317","COc1ccc(N(c2cccnc2)C2CCCCO2)cc1"]
["173543131","Sc1ccc(Oc2cccnc2)cc1CNCc1ccccn1"]
["193211662","O=C1CC(C2=CCc3cc(Br)ccc32)CN=C1c1c[nH]c2cc(Br)ccc12"]
["138198655","COc1ccc(-c2noc(CCC(=O)N3CC(C)Sc4ccccc43)n2)cc1"]
["60590004","CCC(N)c1ccc(OCC2CN=C(O)O2)cc1"]
["7348163","COc1ccc(-c2noc(CCC(O)=[NH+]C[C@@H](C)N(C)C3CC3)n2)cc1"]
["140050250","COc1ccc(-c2noc(CCC(O)=NCC(OC)C(C)(C)C)n2)cc1"]
["48488628","COc1cccc2c1OCC(CN[C@@H]1CCCc3c1cnn3-c1ccccn1)=C2"]
["16396595","COc1ccc(-c2noc(CN3CCC([NH+]=C(O)/C=C/c4ccccc4C)CC3)n2)cc1"]
["178297322","CC1C=C=C2C[C@H]3C(CC4CC4)CCC45[C-]2C1=I[C@H]4C1C2CC35C[C@]21CCC=C1C=CC(=[N+]2C=C[N-][CH-]2)C=C1.[CH3-].[U]"]
["163463685","C=CCOC(O)=NCCCCCCN=C(O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3C2CC[C@@]2(C)[C@H]3C[C@H](C)[C@]2(O)[C@H](C)C(=O)CCC(C)C)C1"]
["173197280","CCC(C)(/C=C\\C(C)(C)C)C1CCC2(C)CC(Cc3ccccc3)CC2C1C(C)CC=O"]
["150578257","CC(C)(C)OC(=O)N(c1ccccc1CC(=O)OC1=C2OC3C(=O)CC[C@@]4(O)C5NCCC34C2C(C=C1)C5CC1CC1)c1c(Cl)cccc1Cl"]
["195027093","CCCCCCC12CCC(O)C(C)(C(O)CO)C1CCC1(C)C2C(=O)C=C2C13CCC1CCC45CCC#CC(O)C(CC4)(C(O)C3)C21C5"]
["18970049","CC1=C(C[C@@H](C)[NH2+]CC2CCN([C@H]3C=NN(C)C(=O)C3)CC2)[C@@H](C)N=N1"]
["179232897","CCCC1C#CC(C2CC3C2C2C4CC4(C)C32)C1C"]
["172894909","CC/C=C\\CC[C@@H]1CCc2cc([C@H]3CC[C@@](C)(N)C3)ccc2C1"]
["43531463","CCN1C[C@]2(COC(=O)c3cc([125I])ccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34C2[C@H](OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC"]
["179070792","COC(=O)c1ccc(CC(O)=NCC[C@@]23C[C@@H]4C(CC5CC5)CCC4(Cc4ccc(OC)cc42)C3)cc1"]
["172117374","C1=C[N-]C=CC=1c1cc2c(cn1)oc1ccccc12.Cc1cnc(C2=C=CC(C)C(c3ccc(CC(C)(C)C)cc3)=[C-]2)cc1C.[Ir]"]
["187677191","CN(CCC1C(C2=NOC(c3ccc(C#N)cc3)C2)=NN(C)C1C=O)CC1(SC2CC2)CC1"]
["108371929","O=C1C[C@H](c2ccncc2)c2c3c(ccc2=N1)=NSN3"]
["90500011","CCCCNCc1cccc(CNC2N=C(O)CC(c3ccncc3)N2)c1"]
["22522847","COC(=O)C1=C(C)N=C2C[C@@H](c3cccs3)[C@H](C(=O)OC)C(=O)[C@@H]2[C@H]1c1ccccn1"]
["126804415","CC(C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC1c1ccncc1"]
["154558010","O=C(N/N=C/c1ccncc1)C1=NN=C(C2=CC[C@H](Br)S2)C1"]
["46210362","CC1(C)N(N)CC(=O)c2c3c(nn21)OC(N)=C(C#N)C3c1cccnc1"]
["89697623","CN1C(CO)C(=O)N(Cc2ccncc2)CC1(C)C"]
["59072041","CC1CCC(N)(c2noc(-c3ccncc3Cl)n2)CC1"]
["MCULE-2131264448","CCc1nn(-c2cccc(Cl)c2)c2c1C(c1ccncc1)C(C(O)=NCC1CCCO1)=C(N)O2"]
["195469899","COc1ccccc1C1CNc2ncc(N(C)c3ccccc3)cc21"]
["33306410","COc1ccccc1C1CN(S(=O)(=O)c2ccc(C)cc2)C(C)=N1"]
["156436760","CCCn1nccc1NC(=O)N1CCC[C@H]1c1ccncc1"]
["110863625","CCCN(CCC)[Se]P(=[Se])(CCC1=C[N+]=C(C)C=C1)CCc1ccc(C)nc1"]
["117913088","CCCCN(C)C(=NCC)NCc1ccc(OC)nc1.I"]
["131397205","CCCN(C)CC1CCN(Cc2ccc(OC)c(OCC)c2)C1"]
["21226906","CCOc1ccccc1-c1nc(CN2CCN(C(=O)Cc3cccs3)CC2)c(C)o1"]
["112314700","Cc1ccc(C(N)Cc2ccc(Cl)cc2)c(C)n1"]
["MCULE-1761449271","O=C(Cc1ccc(-c2cnc(N3CCOCC3)nc2)cc1)N1CCc2cccnc21"]
["80304909","CCc1nc(S(=O)Cc2cccc(C)c2)n[nH]1"]
["MCULE-8635047231","Cc1cccnc1C(=O)N1CCCN(C(=O)CCc2ccc(Cl)cc2)CC1"]
["116573662","CCN=C(NCc1ccc(OC2CCCC2)nc1)NC1CCN(c2ncccc2F)C1.I"]
["86458811","CCCc1nc(NN)cc(NCc2cnc(C)cn2)n1"]
["54426633","CC(C)(C)c1ncc(-c2ccc(CC(=N)O)cc2)[nH]1"]
["47668544","Cc1ccc(CN2CCC(O)=NC(CC(C)C)C2=O)cn1"]
["57779881","c1ccc(C2=C(C(CC3=C(c4ccccc4)[c+]4c(c5cccc6cccc4c65)=C3c3ccccc3)c3ccccc3)C(c3ccccc3)=c3c2c2[cH-]ccc4cccc3c4-2)cc1"]
["66733880","COc1cccc([C@@H]2CCCN2CC(O)=N[C@@H](C)c2ccccc2)c1"]
["MCULE-5957562996","Cc1ccc(-c2nc(=NC(c3ccccc3)c3ccccc3)cc(C(C)(C)C)[nH]2)cc1"]
["96505483","CC(C)(C)C[C@H](N=C(O)c1ccc2[nH]nc(-c3ccc(N4C5COCC4CC(O)C5)cc3)c2c1)c1ccccc1"]
["22880231","CC[C@H](N)c1nc(C(O)=NC(c2ccccc2)c2ccccc2)co1"]
["110196493","Cc1nc(S(=O)(=O)NCC(O)=NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cn1C"]
["141108403","CCN(C(O)=NCc1csc(-c2ccccc2)n1)C(C)c1cccc(OC)c1"]
["183833774","CC(C)(N=[N+]=[N-])C(O)=N[C@H](Cc1cccc2ccccc12)C(=O)N1CCC(Oc2ccccc2)CC1"]
["168385134","Cc1ccccc1P(CC1=C(CP)C(c2ccccc2)=C(c2ccccc2)C1C(C)(C)C)c1ccccc1C"]
["59596567","CCC(N=C(O)c1sc2ccccc2c1C)c1ncc(-c2ccccc2)[nH]1"]
["16275009","Cc1nc(-c2ccccc2)n(CC(O)=NCCOCCC(C)C)n1"]
["MCULE-3121460109","CCCC(N=C(O)CC(c1ccccc1)c1nnc(C)o1)C(O)=Nc1ccccc1Sc1ccccc1"]
["98578659","C=C(CC=CC(CC(C)CC(CC)C(C)C(C)C)=C(C)C)CC(C)C(C)CCC(C=CC(C(=C)C(C)/C=C(\\CC=N)CC=C1CCC1)C(C)CCl)CC"]
["33776291","CC[C@H](C)[C@@H](O)[C@@H](/C=C/C[C@H](C)CCC(=O)C1=[13C]([18OH])C[13C@@H](C)[18O][13C]1=[18O])C(=O)O"]
["79491747","C=C/C=C/C(C)C(OC(=N)O)C(C)C(O)C(C)C/C(C)=C/C(C)C(O)C(C)/C=C/C(O)C[C@H]1CCCC(=O)O1"]
["154309955","CC[C@@H](C)C[C@H](C)/C=C(/C=C(C)\\C=C\\C=C\\C=C\\C=C/C=C/c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1)C(=O)O"]
["187158915","C=Nc1cc(C2CCCCN2C(=C)c2cc(C)ccc2NSC)nn1/C=C(/C)CC(CC)C(N)CNC.CCC=CC(C)C.CCCC(C)C"]
["32026631","CCCCCC[C@@H](C)/C=C(C)/C=C/C(O)=N[C@H]1CC2(O[C@H]1O)[C@@H]1O[C@@H]1C(=O)[C@@H]1O[C@@H]12"]
["74754444","C=C(/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)[C@@H](C)/C=C(\\C=C\\[C@@H]1OC(=O)C=C[C@@H]1C)CC"]
["175891392","CN=C/C(C1=CNC2=CC=C(NC(=N)/C=C(\\C=N)C(C)C)NC2=C1)=C(/C)N"]
["186472512","C=C(S/C=C\\C)C1=NCC(C(=N)/C=C\\CC(F)F)=C2CC(N=C(O)CCCOCCC)CN12"]
["149683069","C=C(N1CCNCC1)N1C(C=CCC(C=CC(C)C(C)C)CC)=CCC1C1=CC=C(CC)CC1"]
["78204058","CC(C)=CCC(=O)C(C)CCC[C@]1(C)OC/C(=C\\COC2CCCCO2)CC[C@H]1OC1CCCCO1"]
["149704892","CCC(=CC(C)C)C(C)=CCCC=C1CCC1"]
["30188755","FC(F)(F)c1cc(Br)c2[nH]c(=Nc3ccccc3OC3=CC4=CNSN4C=C3)[nH]c2c1"]
["13491264","COc1ccccc1N=C(O)CSc1nnc(-c2cccc(C)c2)n1N"]
["31267152","CC(COc1ccc2ccccc2c1N(C)C)C(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"]
["MCULE-8654293744","COc1ccccc1N=c1[nH]c(N(Cc2ccccc2)Cc2ccccc2)nc(N)c1[N+](=O)[O-]"]
["145082305","COc1cc(C(F)(F)F)cc(Br)c1-c1cnn(C)c1N"]
["110519238","CCOc1ccccc1N=C(O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(O)=Nc2ccccc2OCC)[C@@H]1c1cc(Br)c(OC)c(OC)c1"]
["MCULE-3390954476","N#Cc1c[nH]cnc1=NC(=O)c1cc(F)cc(F)c1-c1cccc(C(F)(F)F)c1"]
["130873124","OC(CCC1CCOC1)=Nc1ccc(Br)cc1C(F)(F)F"]
["127411971","CS(=O)(=O)c1ccccc1N=C(O)c1cc(C(F)(F)F)ccc1F"]
["103732397","NCc1nn2c(CCOc3ccccc3F)nnc2s1"]
["183606376","CC(C)(C)C(OC(=N)O)C1CCC(c2ccc(N=C(O)c3n[nH]c(=Nc4ccccc4F)o3)cc2)CC1"]
["57293411","COc1cc(N=c2[nH]c(=Nc3ccccc3)c3ccccc3[nH]2)cc(OC)c1"]
["195930421","CC([NH2+]P(n1cccc1)n1cccc1)c1cccc([NH2+]P(n2cccc2)n2cccc2)c1-c1c(NP(N2C=CCC2)n2cccc2)cccc1N[P+](C)(n1cccc1)n1cccc1"]
["70547183","COC(=O)CCN(C(=O)c1ccc2c(c1)nc(C(C)Nc1ccc(C(=N)N=C(O)OC3CCCCC3)c(Cl)c1)n2C)c1ccccn1"]
["138921719","CCCN1Cc2cccc(NC(C)C(O)=NC(C)c3ccccc3OC)c2C1"]
["1232257","CCCN1Cc2cccc(NC(=O)C(=O)[NH2+][C@@H](C)c3ccc(C(C)C)cc3)c2C1"]
["77062478","CCCN1CC=CC2(C)OC34C=CCN(c5c(C)cccc5Cl)C(=O)C3N(C(CO)C(C)CC)C(=O)C4C2C1=O"]
["77062031","Cc1cccc(Cl)c1N1CC=CC23OC4C=CCCCCOC(=O)C4C2C(=O)N(CCCCCCO)C3C1=O"]
["85800660","CCOc1cccc(CC(C)CNC2CC2)c1"]
["1387525","CCCOc1ncccc1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1"]
["678625","CCC(C)c1ccccc1OCCCNC1CCCC1"]
["143359549","CCC(C)C(=O)N1CCCC(C(=O)N(C)c2cccc(C)n2)C1"]
["102057451","CCOc1cccc([C@H](C)NCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1"]
["42859674","Cc1ccccc1C1CC(NC(C)Cn2cccn2)C1"]
["177099323","[C-]#[N+]CC1CCN(C2=NC3=C[N-]N=C(O)C3=C(N=C3C=CC(N4CCC(CCCO)CC4)=C[CH+]3)N2)CC1"]
["MCULE-5328421213","CCn1ccc(C(=O)N2CCC(CCN3CCN(Cc4ccnn4CC)CC3)CC2)n1"]
["161468146","Cc1cccc(-n2cc(CN(C)CC[C@@H]3CCS(=O)(=O)C3)cn2)c1"]
["141488369","OC1=NCCN(C(O)=NC[C@@H]2CCN(CC(F)(F)F)C2)[C@@H]1c1ccccc1"]
["161705212","O=C(c1ccccc1)N1CCC(CCBr)CC1"]
["143032950","CN(C)c1ccc(N2CCC(N=C(O)N(CCCO)CC(C)(C)C)CC2)cc1"]
["173962465","O=C(N=c1[nH]n(CCCC2CC2)c2nc(-c3ccccc3)c(Cl)cc12)c1cccnc1"]
["163586810","CN=C(O)O[C@H]1CCC[C@@H]1C1(C2CCN(CC3CN(c4ccc(S(=O)(=O)c5ccncc5)cc4)C3)CC2)CN(C)Cc2ccccc21"]
["26686013","O=C(CCCOc1cccc2c1CN1CC(O)=NC1=N2)N(CCO)CCCCC1CCCCC1"]
["171429563","Cc1cnc(N2CCC(CCCN3CCN(C(C)(C)C)CC3)CC2)nc1"]
["27363162","CCc1cnc(N2CCC(CCCOc3ccc(CO)c(CCO)n3)CC2)nc1"]
["31717930","CCOC(=O)c1ccnc(N=C(O)CCCC2CCN(C)CC2)c1"]
["100180237","[NH2+]=C1NC(NCO)=NCN(CO)C2=NCN(CO)C(=NCO)NC(NCO)=NCNC(=NC[NH2+]1)N2"]
["164063720","NC1=C(Br)C(N2CCC(N)(CN=C(O)c3ccc(F)cc3F)CC2)=NCN1"]
["MCULE-2029791226","OCCCNc1nc(-c2cc[nH]c(=NCCC3=CCCCC3)c2)cc2cnccc12"]
["163852638","CCn1cc(CN(C)C(=O)[C@@H]2Cc3nc[nH]c3C3(CCCC3)N2)c(C)n1"]
["70096298","CC(C)C(O)=NC1=NC(=O)C2NC(=NCCNC(C)(C)C)N(C(C)(C)C)C2=N1"]
["42590957","CCc1ccc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)C3(CCC(CC)CC3)N=C2O)cc1"]
["118954215","CCC(CC)c1cc(CNC(=NC)NCc2nccn2CC(C)C)on1"]
["161671556","CN1C(=NCO)NC(C)(N(CO)CO)N(C)C1(C)N(CO)CO"]
["184377341","CN1C(=NCC(=O)c2ccccc2-c2ccncc2)NC(c2ccncc2)=CC1O"]
["173434485","CCCCCCCCCCCCN=C1NC(NCCCO)=CCN1CCCO"]
["22279803","CN(Cc1nccn1C)C(=O)CN1C(O)=N[C@]2(CC[C@@H](C)CC2)C1=O"]
["66941159","CCOC(=O)CC(N=C(O)CN=C(O)c1cc(O)cc(NC2=NCC(F)CN2)c1)c1cc(Cl)cc(Cl)c1O"]
["199872248","O=S(=O)([C+]=CC(=CC=S(=O)([O-])C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=[S-](=O)C(F)(F)F.[Al+]"]
["136496015","O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(N2CCOCC2)C1"]
["34721617","C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)[N+](C)(C)[C@H]1c1ccccc1.O=S(=O)([O-])C(F)(F)F"]
["171103909","O.O=S(=O)([O-])C(F)(F)F.[Na+]"]
["106024801","C[C@@H]1C[C@@H]1C(O)=Nc1ccc(S(=O)(=O)Cl)c(F)c1"]
["33579611","CC(=O)OC(=O)[C@@H]1[C@H](C(O)C(Cl)(Cl)C(F)(F)F)C1(C)C"]
["129764884","CNC1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1"]
["148485806","Cc1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H](C(=O)O)C2)c(C)cc1[N+](=O)[O-]"]
["150757091","C=C(C)C(O)OCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F"]
["16377622","C[C@@H]1CC[C@H](C(=N)O)CN1S(=O)(=O)c1ccccc1OC(F)(F)F"]
["8092131","C=CCN(CC(=N)O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1"]
["32899835","O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Rh+2]"]
["150433920","CCC(C)(C)OC1=CC=C(C(C)(C)C2=CC=C(Oc3c(F)c(F)c(-c4nnc(-c5c(F)cc(C(C)(C)CC)c(F)c5F)o4)c(F)c3F)CC2C(CC2CO2)CC2CO2)CC1C(CC1CO1)C1CO1"]
["168869961","CC(C)(C)OC(=O)C[C@H](N=C(O)C1CCN(C(=O)c2nsc3ccccc23)CC1)C(=O)COc1c(F)c(F)cc(F)c1F"]
["172489330","[2H]C([2H])([2H])C(N1CCN([C@H]2CCN(c3ncc4c5c(c(-c6ncc(F)c7sc(NC(=O)OC(C)(C)C)c(C#N)c67)c(F)c4n3)COC5)[C@H]2C)CC1)C([2H])([2H])[2H]"]
["MCULE-5397941109","COc1cc(F)c(-c2cnc(N=C(O)CN3CCN(C(=O)OC(C)(C)C)CC3)c(OC)n2)c(F)c1"]
["56355144","CCC(C#N)Nc1ccc(F)c(C)c1"]
["42153740","CCCOC(=O)c1nnc(N=Nc2cc3c(cc2NS(=O)(=O)CC(F)(F)F)N(C(CC)CC)C(CC)CC3)s1"]
["194650450","CCC(CC)C1COC(C2C=C(F)C(C(F)(F)Oc3ccc(C4=C[C@H](F)C(F)C(F)=C4)c(F)c3)C(F)C2)C2CC(C1)C2"]
["166903177","CN(c1ccc(F)cc1)c1cc(N2CCOCC2)nc2c(-c3cc[nH]n3)nccc12.COC1CCN(c2cc(N3CCOCC3)nc3c(-c4cc[nH]n4)nccc23)CC1"]
["166097903","CCC(C)(C)N=C(O)C(C)Sc1nnc(-c2ccc(F)cc2)n1CC1CCCO1"]
["182918807","CCOC1CCC(n2cc(N3C=COC3c3cn[nH]c3)c(-c3cc(F)cc(F)n3)n2)CC1"]
["188956517","CCc1cnn2c(NCc3nc4ccc(O)cc4n3C3CCCCO3)cc(N3CCCC[C@H]3CCOC3CCCCO3)nc12"]
["189893398","CCOC(=O)C(CC)N=C(O)[C@H]1C[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]2OC(c3ccccc3)OC[C@H]2O1"]
["97388553","CC(C)(C)/C=C/[Si]12[SiH2][Si]1([Si](C)(C(C)(C)C)C(C)(C)C)[SiH]2[Si](C)(C(C)(C)C)C(C)(C)C"]
["79873036","CC(C)C(/C=C/C(C)(C)C)O[Si](C)(C)C(C)(C)C"]
["84861797","CC(C)(C)C=CCNC1CC1"]
["60258872","CC(C)(C)/C=C/C1(CNC(C)(C)C)CC1"]
["34015640","C=C[C@@H](O)C[C@@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C"]
["173952020","CO[Si](C)(C)CC(C)(C)CS[Si](C)(C)C"]
["173952037","CO[Si](C)(CC(C)(C)CS[Si](C)(C)C)OC"]
["79528454","CC(C)(/C=C/C(=O)O)[Si](C)(C)C"]
["121243108","CC(N=C(O)C=CC(C)(C)C)c1noc(-c2ccccc2)n1"]
["90845470","CC(C)(C)C=CC(=O)N1CCCC1=O"]
["182173282","C[C+](C=CC(C)(C)C)C([NH-])=[OH+]"]
["169859792","CSN1C[C@H](C)N(C(C)(C)C)C[C@H]1C"]
["97260852","C[C]1[CH+]C(C)=C(C)C([B-]23C([Si](C)(C)C)[B-]2(C2=C(C)[C+](C)[CH+]C(C)=C2C)[B-]3(C)C[Si](C)(C)C)=C1C"]
["1009902","COC(=O)C(CSSCC(NCCC(=O)c1nccs1)C(=O)OC)NCCC(=O)c1nccs1"]
["172261404","CC1=C2OC(C)(C)OC2CC(C)(C)C1C[Si](C)(C)C"]
["200130187","CC(F)(F)Sc1ccc(COC2CNC2)cc1"]
["82922868","Cc1ccc(CC2N=NC(=O)c3ccccc32)cc1"]
["106356951","Cc1ccc(C[C@@H]2CN[C@H](C)CO2)cc1"]
["106356953","Cc1ccc(C[C@@H]2CN[C@@H](C)CO2)cc1"]
["78954014","CC=C1C=C(C)C(C)=C(C)[C]1C"]
["MCULE-1484468761","Cc1nc2scc(C)n2c1C=C1SC(=S)N(Cc2ccc(Cl)cc2)C1=O"]
["197554936","Cc1ncc(COC2CNC2)o1"]
["171566574","CCC1=C([Si](C)(C)C)[C+](CC)C(C)=CC1=[Si-]C1=C(C)C(C)=C(C)C1C"]
["70210659","COC(=O)C1OC(O)=NC1Cc1ccc(C)cc1"]
["79758007","C[SiH-](C)=C1C=C=C(B(c2ccccc2)c2ccccc2)C1=[B-](c1ccccc1)c1ccccc1.[Li+].[Li+]"]
["102911341","C[C@@H](NC(F)(F)C(F)(F)F)c1ccccc1"]
["193547969","OB(O)c1ccccc1.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1"]
["75741919","COc1ccc(CC(c2ccccc2)(c2ccccc2)C2(c3ncon3)CN=CN(C)C2)cc1"]
["78249597","CC1(NC(=O)O)N=c2ccc([Se]c3ccccc3)cc2=N1"]
["172042627","c1ccc(SCCN(Cc2ccccn2)Cc2ccccn2)cc1"]
["76797540","COC(=O)C(C=Cc1ccccc1)OC(=O)N(C(C)C)C(C)C"]
["174126239","CC.CCOc1ccc(Cc2ccccc2)cc1"]
["29332782","CC(C)(C)c1ccccc1-c1ccccc1-c1nnoc1-c1ccccc1"]
["161758893","CN(Oc1ccccc1)N(C)Oc1ccccc1"]
["7609437","CN(C)CCC[NH+]=C(O)c1cc(-c2ccccc2)n(C)n1"]
["185464716","[Cl-].[Ni+].c1ccc([C-](c2ccccc2)c2ccccc2)cc1"]
["184466744","C[C@H]1CC2NC(S(C)(O)O)C=[NH+]C2C1"]
["158628082","COCCN=C(O)[C@@H]1CC(O)=N[C@H](C)C1"]
["91722884","CC1CC(C(=O)O)C(C(=O)N=c2cccn[nH]2)C1"]
["145940182","CCS(=O)(=O)Nc1ccc(NC(=O)C2CC3CCCCC3N2)cc1"]
["65271727","CON=C(O)C1CC1C"]
["158956722","Cc1o[nH]c(=N)c1S(=O)(=O)N=C(O)[C@@H]1CCCC[C@H]1C1CC1"]
["85791660","CNC1CC(C)CCC1C(C)(C)c1ccc(Cl)s1"]
["162591754","CCS(=O)(=O)N=C(O)[C@@H]1C[C@H]1C"]
["157178737","C[C@@H]1C[C@H](C)C[C@@H](C(O)=NS(=O)(=O)c2ccccc2Br)C1"]
["80354833","Cc1ccc(N=C(O)[C@H]2CSCN2)cc1I"]
["160137359","CC1CC(C(O)=NC2CCN(C)C2=O)C(C(O)=NC2CCN(C)C2=O)C1"]
["103256927","Cc1cc(C)cc(N=C(O)[C@H]2CSCN2)c1"]
["150077969","CCCCCC1(C)C(C)(C)c2cc3c(cc2C1(C)C)[n+]1c2n3C(CC)(CC)C=Cc3nc(C(C)(C)C)nc(c3-2)N(C)C1(C)C"]
["170197190","CCCCCCCCCCCCCCCCCCOC(=O)OC1[C@H]2O[C@@](C)(c3ccc4c(N)ncnn34)[C@H](O)[C@@]12O"]
["187994363","CCCCCCC(C)(CCCCC)Nc1ccn(C)c1"]
["59019736","CCCCOc1c2c(c(OCCCC)c3ccccc13)-c1nc-2cc2[nH]c(nc3nc([nH]c4nc(n1)-c1c-4c(OCCCC)c4ccccc4c1OCCCC)-c1c-3c(OCCCC)c3ccccc3c1OCCCC)c1c(OCCCC)c3ccccc3c(OCCCC)c21"]
["183042988","CCC(CC=O)n1cnc2c(N3CCC(O)C3)nc(C(C)(C)C)nc21"]
["74122468","CCCCCC1(C=O)C=CC2=C(N1)C(=O)C=CC2=O"]
["42254972","CCCCCCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1"]
["98879205","CCCCCCCCC1COC2(CC(C)(CC)N(OCCc3ccc(OCC4CO4)cc3)C(C)(CC)C2C)O1"]
["MCULE-8895979707","CCCCOc1ccc(Nc2cc(N3CCN(CCc4cccc(OC)c4)CC3)nc(C(C)(C)C)n2)cc1"]
["87964565","CCCCCNc1nc(C(C)(C)C)nc(OCC)c1[N+](=O)[O-]"]
["28694631","C=[N+](c1nc([N+](=C)C(OC)C2CC(C)(C)N(CCCC)C(C)(C)C2)nc(C(C)(C)C)n1)C(OC)C1CC(C)(C)N(CCCC)C(C)(C)C1"]
["178461587","CCCCCCCCC1(I)c2cc(Br)ccc2-c2c(C3c4cc(Br)ccc4-c4ccc(Br)cc43)cc(Br)cc21"]
["58982394","C1=c2occ3c2=C(OC1)ON3"]
["181271667","COc1cc2c(cc1C=O)C(Cl)=CCO2"]
["151778559","O=C1N=CC(Br)=C2OCC=C12"]
["64876412","CCCCCN(C1=CCOC1=O)c1ccccc1"]
["113420614","CCOC1(C2=N/C(=C3/C=C(C#N)C=N3)ON2)CCCC1"]
["182165711","C1=CC2=C(OC1)OPOC2"]
["10511859","C=C1CC[C@@H](C)[C@](C)(CCC2=CCOC2=O)C/C=C\\C=C/1C(=O)[O-]"]
["163191888","C=Cc1cccc2c1[C@@H](N)CO2"]
["54030395","OC1=CCO1"]
["120457956","NCC1(C2=N/C(=C3\\C=CC=N3)NO2)CC1"]
["87885173","O=C(O)c1occ2c1OC1(CCCCC1)CN2"]
["182344167","[N-]=[N+]=NOC1=CCOc2ccccc21"]
["51809892","O=C(OCCOC(O)=NC12CC3CC(CC(C3)C1)C2)C1(C(=O)OCCOC(O)=NC23CC4CC(CC(C4)C2)C3)C23C=CC4=C5C=CC6=C7CCC8C9C=CC%10=C%11C%12=C%13C%14=C(C2C4=C2C%14=C4C%13=C(C%119)C89C(C(=O)OCCOC(O)=NC8%11CC%13CC(CC(C%13)C8)C%11)(C(=O)OCCOC(O)=NC8%11CC%13CC(CC(C%13)C8)C%11)C79C4C6C52)C2C%12C%10C=CC213"]
["6619057","COC(=O)Nc1ccc(NC(O)=N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1"]
["28553319","COc1ccc2ccc3cc2c1CCCCCCOC(O)=N[C@@H](C(C)(C)C)C(=O)N1C[C@@]3(OC)C[C@H]1C(O)=N[C@]1(C(O)=NS(=O)(=O)C2CC2)C[C@H]1C1CC1"]
["6750763","CNc1ccccc1C(=O)OCC(O)=NC(O)=N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2"]
["MCULE-7358885905","O=C(c1ccc(-c2ccc3ncc(C(O)=NC45CC6CC(CC(C6)C4)C5)n3c2)cc1)N1CCCC1"]
["MCULE-6011759014","O=S(=O)(NC(O)=NC12CC3CC(CC(C3)C1)C2)c1ccc(CCN=C(O)c2cccnc2Cl)cc1"]
["140177439","CCOCC1CCN(C(C)C(O)=NC23CC4CC(CC(C4)C2)C3)C1"]
["174395729","C=CC1C[C@]1(N=C(O)C1CCCN1C(=O)C(O)C(C)(C)C)C(O)=NSC1CC1.CCOc1cc(O)c2ccc(OC)c(Br)c2n1"]
["191690711","CCOC(=O)[C@@H]1CCc2c(c(C(=O)NC(C)C34CC5CC(CC(C5)C3)C4)nn2C2CCCCC2)C1.CCOC(=O)[C@H]1CCc2c(c(C(=O)NC(C)C34CC5CC(CC(C5)C3)C4)nn2C2CCCCC2)C1.C[C@H](NC(=O)c1nn(C2CCCCC2)c2c1CCCC2)C12CC3CC(CC(C3)C1)C2"]
["141316222","Cc1cnc(COC(=O)CCN=C(O)NC23CC4CC(CC(C4)C2)C3)o1"]
["42639144","C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(O)=NC12CC3CC(CC(C3)C1)C2"]
["MCULE-2997996241","Cc1cc(-c2ccc(F)c(CCC(O)=NC34CC5CC(CC(C5)C3)C4)c2)ccn1"]
["191598819","NC(NN1C(C(F)(F)F)(C(F)(F)F)C=NC1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"]
["47513227","CC1C=NC(C)(C)S1"]
["170331308","CCN[C@@H](c1ccc(Br)cn1)C(F)(F)F"]
["33454704","CC(C)CC1=NN(C(=N)O)C(O)(C(F)(F)F)C1"]
["131361679","OC(=Nc1nccs1)N1CCC(O)(C(F)(F)F)C1"]
["MCULE-8876656032","Cc1ccc(-n2nc(C)c(N)c2C(F)(F)F)nc1"]
["47082608","CC1(C)OC(=O)C(C(F)(F)F)(C(F)(F)F)N1C(C(F)(F)F)(C(F)(F)F)C(F)(F)F"]
["93092797","Cn1ccc(CC(F)(CN)c2ccccc2)n1"]
["46754171","Cn1c(C=NC(C#N)=C(N)C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1=O"]
["182053638","CC1(C(F)(F)F)C=NC(N=[N+]=[N-])C(Cl)(C#N)C1"]
["57989176","COC1(C)CC(O)(C(F)(F)F)NC(C)=N1"]
["170256153","OCC(O)CN(c1nnc(S)s1)C(F)(C(F)(F)F)C(F)(F)F"]
["42212973","COC(=O)C1=NC2CCC3N4C(C(=O)OC)=C(C(=O)OC)C1(C(=O)OC)C1C4C4n5c(=O)n(C)c(=O)n5C1C21COCC341"]
["26577725","COC(=O)c1ccc(C(=O)C2CCc3nc4c(nc3C2=O)C(C)(C)CCC4(C)C)cc1"]
["MCULE-1418956947","COC(=O)c1cnn(C2CCCCC2)c1O"]
["164181218","Cc1nc(O)c2c(n1)C[C@@H]1CC[C@H](C2)N1C(=O)Cc1c(C)noc1C"]
["MCULE-4557650693","COC(=O)c1cnn(-c2cnc(Cl)c(F)c2)c1C1CNC1"]
["96908594","C=CC[C@@H]1[C@@H](CCO)[C@@H]2[C@H](CCN2C(=O)OC)[C@H]2CC(=O)O[C@@H]12"]
["169725094","COC(=O)c1cc(F)c(-c2c(F)ccc3c2OCN(C(=O)c2c(Cl)cc(Br)cc2Cl)C3)cc1N1CCOCC1"]
["197933332","Cc1ncn(-c2ccc(NC(=O)C3CCC4(CC3)N=C(O)N(C)C4=O)cc2)c1C"]
["53060694","COC(=O)c1ccccc1-n1ncc(NCCCN2CCN(Cc3ccccc3)CC2)c(Cl)c1=O"]
["MCULE-2923752819","CCc1ccnc(-c2cc(O)n3nc(C4CCC4)c(C(=O)OC)c3n2)c1"]
["9371037","COC(=O)c1sc2ncn(CC(=O)OC3CCCCC3)c(=O)c2c1C"]
["MCULE-2342208954","CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nc3)cc2)CC1"]
["161841372","NSOP1(=O)Oc2c3c4c(c(SN)c2O1)OP(=O)(O3)O4"]
["182103710","O=P([O-])([O-])OP1(=O)Oc2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)O1"]
["173992213","O=Cc1c2c3c(c4c5c6c7c8c(cccc8cc6cc14)OP(=O)(O7)O5)OP(=O)(O2)O3"]
["86372070","CNc1cc(OCCO)nc(SC)n1"]
["172703210","O=P12Oc3c(c(c4c(ccc5ccccc54)c3O)O1)O2"]
["97867566","CCOP(=O)(OCC)[C@@]1(SC)S[C@@H]([Si](C)(C)C)[C@H]2C(=O)OC(=O)[C@H]21"]
["180836212","Cc1cccc2c1OP(=O)(Oc1cccc(OP3(=O)Oc4c(C)cccc4-c4cccc(C)c4O3)c1)Oc1c(C)cccc1-2"]
["171957243","Cc1c2c(C)c3c(C)c1OP(=O)(O2)O3"]
["111887134","CCOC(=O)c1sc(N2CCC(N)CC2)c(SC)c1N"]
["170695235","C=Cc1ncc2c3c1OP(=O)(O2)O3"]
["47992274","CCOP1(=O)OC(C)CC(C)O1"]
["25040973","CCOC(=O)C=COP1(=O)OCC(C)O1"]
["200580962","C/C=C/C#CC#CC#CC#CN(C#CC#CC#CC#C/C=C/C)C1C#CC#CC#CC#CC#CC1(C)C"]
["195014606","CC=CC#CC#CC=CC=CC1CCC(O)O1"]
["186504478","B[C@]1(Br)C[C@]12OC(OC)C1OC(C)(C)OC12"]
["153198766","C/C=C\\C#CC#CC[C@H](OC(=O)/C(C)=C\\C)C(=O)OC"]
["59064013","CC#CC#CC#CC=CC(=O)O"]
["91166837","CC(=O)O.CC(=O)O.CC=CC#CC#CC=CC=CC(O)CO"]
["91186003","CC=CC#CC#CC=CCCC(=O)CCC"]
["SN0356558-01","C=CCCCC(=O)/C=C/C=C\\C#CC#C/C=C/C"]
["78019627","CCCC=CC=CC#Cc1ccccc1OC"]
["165791338","C#CC#CC#C/C=C/C=C/CO"]
["154199242","C/C=C/C#CC#C/C=C/C=C/CCCCCCOC(C)=O"]
["74518988","C=C/C(OC1CCC(C)(C)CC1)=C(C)/C=C\\C"]
["178602619","O=CN1C2OC3C4OC1C1C3(O4)OC13C2N3C=O"]
["179028120","O=CN1C2CCC1CN(C1=NCNCC1)C2"]
["170565691","O=CN1CC2(CC(O)C2)C1"]
["69624756","CC(=O)C1(C)CC(C)C(C)N1C=O"]
["109308159","CC(=O)N1C2C3N(C(C)=O)[C@H]4[C@H](N3C(C)=O)N(C=O)[C@H]([C@H]1N4C=O)N2C(C)=O"]
["167344709","C[C@H]1[C@H]2C=C[C@](C)(O2)[C@H]1C=O"]
["33165262","CC(=O)N1[C@@H]2[C@@H]3N(C=O)[C@@H]4[C@H]1N(C(C)=O)[C@H]([C@H](N2C(C)=O)N3C(C)=O)N4C(C)=O"]
["56855552","COC(=O)C1C(C)OC(C)(C)N1C=O"]
["61827095","O=CN1C2CC3OC(CC1C3Br)C2Br"]
["74629534","C=C[C@]1(C)CC[C@@H](C=O)N1C=O"]
["194609779","O=CC12OC1C1OC1(CO)O2"]
["46294078","CC1CN(C=O)C(O)C(O)N1C=O"]
["178914391","CC1OC2O[I+]OCC2COC1[CH-][O-]"]
["49322353","CC1C(=O)OC2OCC3CCC([C@@]4(C)CCCC(C)(C)C4)=C1C32"]
["MCULE-9498196711","CNC1CCC2COC1O2.Cl"]
["100888978","CP1(C)(C)OCC2CC21"]
["188841141","CC1CCC(C2OCC3(CCC4OC4C3)CO2)CO1"]
["141540664","CC(C(=O)OC1CCOC1C)c1ccc(Br)s1"]
["74463540","CC1CCC(CC=O)[C@H](C)O1"]
["32450139","C[C@H]1[C@H](C)[C@H](C)OC[C@H]1C"]
["197317211","CN1CCC([C@@H]2CO2)CC1"]
["55210606","C[C@H]1OC[C@H](F)[C@@H](O)[C@@H]1N"]
["84094769","C=CCC1C2OCC(O2)C(C)C1O"]
["158115861","CON[C@@H]1C[C@@H](C)O[C@@H]1C"]
["188018817","B.C=CCOOB=BOOP=POC.P"]
["79145165","C=CCO[SiH](CC)CC"]
["196617972","C=CCOc1cccc(C)c1C=O"]
["62023730","[C-]#[N+]/C(=C\\OCC)C(=O)OCC=C"]
["44987653","C=CCNS(=O)(=O)CC(=O)OC"]
["21686517","C=CCOc1ccccc1C[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C"]
["25309900","C=CCOB(CC)CC"]
["186269735","C=CC/C=C\\[Si](OC)(c1ccccc1)c1ccccc1"]
["172227223","C=CC(=O)C(CC)OC[Si](O)(OC)OC"]
["175076201","C=CCCC=N.CCO"]
["50901835","C=CCOCC(C)=Cc1ccc(C)cc1"]
["175365992","C=CCOC(=O)CCCC(C)C"]
["176156470","[B+]=C1C=CC(OC=C2C=CC(C)=C[C-]2[N-]C(=S)CC2CC2c2ccc(COC3C=CC(=[B+])C=C3C)c(NC)c2)C(C)=C1"]
["173826050","CC(C)c1c(-c2cc(CO)c3nnnn3c2)[nH]c2ccc(C3CCN(C4COC4)CC3)cc12"]
["75316548","CNc1cc(OCCN2CC3OCOC3C2)c(OC)cc1C(=N)Oc1ccc2[nH]c(C)c(C)c2c1"]
["CSSS20447611213","CCc1cc(C(=O)N2CC[C@@H](OCCCNS(=O)(=O)C3CCCC(C)C3)C2)cnc1O"]
["43559175","COC1CCCC(OCc2ccc(C(=N)N)cc2F)C1"]
["MCULE-1394348043","COC(=O)c1cc(C2CC2CC=O)cc2[nH]ccc12"]
["SN0234613-03","CC=C1CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC"]
["MCULE-4672903960","COc1cc(C2CC2CC=O)ccc1OCC(=O)N1CCOCC1"]
["198111390","CC(C)C(=O)CC1CCN(c2ccc(C3CCC(O)=NC3=O)cn2)CC1"]
["95745571","CNCCc1ccc(COC2CCCC(C)C2)cc1"]
["171386815","CNc1cc(C)ccc1CCCC(N)C(=O)O"]
["95339154","COc1ccc(CN(C)C(=O)C2CC2c2cccc(F)c2)c(OC)c1"]
["161435004","[P]PP(#P)P=PB1CC1"]
["148660449","S=PB1CC1"]
["114203950","O[C@@H]1CSCc2c1ccc(Cl)c2Cl"]
["148566258","CP=PP(C)#P"]
["148688280","C=PP[P]"]
["78711686","O=P(P[P])=S=S"]
["171416476","OB1CCC1"]
["167229371","CC1(C)C2CCC1(C)[C@@](C)(OP(O)O[C@@]1(C)CC3CCC1(C)C3(C)C)C2"]
["91715054","FSP(#P)P(#P)P[P]"]
["178718895","C=[N+]1[C@H](C)CC[C@H](C)[C@@H]1C"]
["78542004","CCCCNP(#P)P[P]"]
["78621366","CB=PP(#P)P[P]"]
["64920408","CCCCN(CCCC)C(=[O+]C(N(CCCC)CCCC)=[N+](CCCC)CCCC)N(CCCC)CCCC"]
["117913870","CCCCN(C)C(=NCC)NCC1CCCN1C"]
["123680129","CCCCN(C)C(O)=Nc1cccc(Cl)c1F"]
["33181825","CCCCCN(CCCc1ccccc1)C(=O)C(CCC(=O)O)CS(=O)c1ccc(Cl)c(Cl)c1"]
["12050546","CCCCN(Cc1cccn1C)C(=O)CN(C(C)=O)C(C)C"]
["3424055","CCCCN(Cc1cccn1C)C(=O)CN(C(=O)CCC)[C@H](C)CC"]
["78258975","CCCN(CCl)S(=O)(=O)O.Cl"]
["116174184","CCCCN(C)C(=O)c1c[nH]c(=Nc2cccc(C(=O)OC)c2)cn1"]
["79903340","CCC(CC)N(C)C.CCCCC.Cl"]
["184026596","CCCCN(N=[N+]=[N-])c1cc[nH]n1"]
["MCULE-3458550583","CCCCN(C)C(=O)CC(CC(=O)O)c1ccccc1[N+](=O)[O-]"]
["55086972","CCCCCCCCCCCN(CCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCN(CCCCCCCCCCC)C(=S)[S-].[Zn+2]"]
["69772587","BrC1CC23C=CC(CC24CC1OO4)OO3"]
["79007444","C[Si](C)(C)OC(O[Si](C)(C)C)[SiH2]C12C=CC(CC1)C2"]
["47562117","[C-]#[N+][C@H](C)C[C@H]1CC[C@@H]2O[C@@H]3C[C@]2(C=C[C@H]3C)O1"]
["195866717","OCC1(CO)C=CC(Cl)CC1"]
["68300848","C[NH+]1CCC2(CC1)CC1CC3C=CC1(C[NH2+]2)O3"]
["159136281","FC1(F)CC(c2ncc(CCl)o2)C1"]
["91572093","BrC1CC23CC(Br)C(Br)CC2(CC1Br)O3"]
["26292855","O=C1OC2NC3C(O)C(Br)C2CC13Cl"]
["161796320","CC1(C)CC(=O)C2C(C1)OC1CC(C)(C)CC(=O)C1C2c1ccc(Cl)cc1"]
["69517436","CC1(O)CC2OC1C(Sc1ccccc1)C2Cl"]
["182116816","CCS(=O)(=O)C1(Cl)C=CC=CC1Br"]
["195617590","ClC1(Cl)CC2C1=CCC2Br"]
["68352587","CC(C)(C)[Si+]C12C3C4C1C1([Si-]C(C)(C)C)C4([Si-]C(C)(C)C)C3C21[Si+]C(C)(C)C"]
["197797882","CC(C)(C)OO.C[C@H]1CC(N)(N)CCN1"]
["MCULE-3837047154","CC(C)(C)c1nn(C2CCOC2)c(N)c1-c1ccccc1"]
["60849286","CC(C)(C)[Si+]=[Si]=[Si-]C(C)(C)C"]
["89575599","CC(N)(C(=N)O)C1CCCOCC1"]
["48533542","CC(C)(C)c1ccccc1NC1CCCOCC1"]
["106214546","CC(C)(C)[C@]12C=C[C@H](CN1C(=O)O)C2"]
["199900828","CC1=CC([Si-]C(C)(C)C)C=CC1[Si+]C(C)(C)C"]
["172780956","CC(C)=C(C1C(C(=O)O)C1(C)C)C(C)(C)C"]
["178632967","C[I-]C(C)(C)C12CC3CC4CC(CO)(CC43C1)C2"]
["158137058","Cc1nc(N[C@@H]2CCCOCC2)sc1S(N)(=O)=O"]
["52284103","Cc1cc(Br)cc(C)c1NC1CCCOCC1"]
["98397086","CNC[C@@H](O)[C@@](c1cccc(Br)c1)(n1ccc2ccccc21)[C@@](O)(CCN)[C@H](c1cccc(Cl)c1)n1ccc2ccccc21"]
["7940371","COCCN(Cc1nc(C(O)=N[C@H](C)c2ccccc2)cs1)C(O)=Nc1cccc(Cl)c1"]
["MCULE-8904360035","O=C(CN=C(O)c1cccc(Br)c1)N1CCN(c2ccccc2Cl)CC1"]
["184607912","CC(CCCN)[C@H]1C(=O)N2C(CC[C@@H]2COc2ccc3ccccc3c2)N1C"]
["4022499","COc1cccc(OCC(O)=NCCCn2ccc3ccccc32)c1"]
["67833033","COc1cccc(C(CN=C(O)c2cc(Cl)ccc2OC)N2CCOCC2)c1"]
["52835401","CCCC(N=C(O)Cn1c(=O)cnc2ccccc21)c1cccc(C(F)(F)F)c1"]
["145208028","CNC(C)C(O)=NC1CN(C(=O)c2ccc(C#N)cc2)c2cc(Cl)ccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O"]
["MCULE-9512638235","C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc(OCC)cc1"]
["62050158","NC(=O)c1cccnc1Oc1cc(Br)ccc1Cl"]
["60301330","CNC(Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1OC"]
["177556762","Cc1nc(N2CCC3(CC2)Cc2ccc(Br)cc2[C@H]3N)c2cncn2c1-c1cccc(Cl)c1Cl"]
["74513732","O=S(=O)(C1=C=C[CH+]C=[C+]1)c1[c-]ccc[c-]1"]
["58381457","C=C(C)c1[c-]cccc1.C[C-]=O.[Y]"]
["99814988","CN(C)N=Nc1ccc(/C=C(/OS(=O)(=O)O)c2[c-]cccc2)cc1.[Na+]"]
["172355322","Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1CN"]
["180056608","Cc1cccc(OCc2[c-]ccc[c-]2)c1.[U].[U]"]
["6258138","CC(=[OH+])c1ccc[n+](CC(=O)[N-]c2ccc(Cl)cc2)c1"]
["198527040","C=C(NS(=O)(=O)c1cccs1)C(=O)OCC"]
["124430889","O=S(=O)(Cc1noc2ccccc12)Oc1ccc(Cl)cc1"]
["8542990","COc1cc(C)c(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)cc1OC"]
["25375821","O=S(=O)(N[S+]([O-])([O-])=C1C=C=CC=C1)C1=C[CH+]C=C=C1"]
["28825849","O=S(=O)(c1cccc(Cl)c1)c1nnn2c1ncc1ccsc12"]
["13398803","CS(=O)(=O)Oc1ccc(Cl)cn1"]
["179939861","CC(C)NC1=CC(I)=IC=C1[C-]=NN=[C-]CI.[U+2]"]
["112237757","CC(CS(C)=O)N=C(O)c1ccc(I)c(Cl)c1"]
["137303078","Cc1ccc(NNC(O)=NC(C)CN(C)Cc2ccccc2)nn1"]
["54236417","COCC(C)CNCc1cc(C)sc1C"]
["165580768","CC(Nc1cnnc(O)c1Cl)C(O)Cc1ccccc1"]
["133091690","COC(O)=Nc1ccccc1C(O)=NC(C)C(O)Cc1ccccc1"]
["75283799","CCC(C)c1ccc(NC2=C=c3c(c4ccc3cc4)=C=C2)cc1"]
["144752650","Cc1cn(C(C)C)c(COc2ccccc2)n1"]
["93931932","CC(NN1C(C)CCCC1C)c1cscn1"]
["59923721","CC(O)CN(C)CC(O)=Nc1c(I)cc(I)cc1I"]
["174646329","CNc1ccc(CCC(C)CI)cc1"]
["100943147","CC(CO)NC1=CC(=O)CCC1"]
["161743113","N=C(O)C=Cc1nc2n[nH]sc-2n1"]
["MCULE-6310358999","N=C(O)C=Cc1ccc(N=C(O)c2cc(Cl)ccc2N)nc1"]
["180670708","N=C(O)/C=C/c1ccc(Oc2cccc(F)c2)cc1"]
["19956877","N=C(O)[C@@H]1C2=C(CCCC2)S[C@@H]1[N-]C(=O)CSc1nc(-c2cccs2)n[nH]1"]
["113063910","Cc1cccc(NCC(O)C(=N)O)n1"]
["18261227","N=C(O)c1nsc(Cl)c1Cl"]
["193060809","CC(C)N=c1[nH]nc(-c2ccc3c(c2)C(c2ncc(C(=N)O)s2)=CC3)o1"]
["MCULE-6960611989","N=c1[nH]nc(N=C(O)C=C2CCCC2)s1"]
["175313988","CC(C)(C#N)c1csc(-c2cc[nH]c(=N)c2C(=N)Cl)n1"]
["149046954","CC1CCC(C(=O)N2CCN(c3cnc4[nH]cc(/C=C/C(=N)O)c4n3)CC2)CC1"]
["124109958","CN(N=C(O)c1csc(-c2ccccc2F)n1)C(=N)O"]
["75696474","N=C([O])Cc1nc(=NC=O)s[nH]1"]
["195644763","C1=Nc2ccc3c4c(ccc(c24)N=1)[N-][C-]=N3.[Re].[Re]"]
["119681140","CCOC(=O)N1CCC(N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1"]
["158151639","Cc1occc1C(O)=NC[C@@H]1CCc2nccn2C1"]
["22523450","C[C@H]1C[C@H](C)CN(c2ccc(-c3cccc(Cl)c3Cl)cn2)C1"]
["86203623","CCC(CC)N(CCBr)Cc1ccn(C(CC)CC)n1"]
["159786911","CC1CN(C(=O)c2ccncc2Br)C(C)(C)C1"]
["76863928","O=C1c2cc(F)ccc2N=CC1C(=O)N1CCCC1"]
["43203267","C1=Nc2ccccc2OCC(C2COc3ccccc3N=C=Nc3ccccc3O2)Oc2ccccc2N=1"]
["173461838","[B+]=C1N=C(I)N=[C-][N-]1.[La]"]
["77329377","O=C(O)C(O)=CC(=O)C1C=Nc2ccc(Cl)cc2C1=O"]
["199220276","COc1cccc2c1C(C(=O)C(=O)Cl)C=N2"]
["114200843","CC(C)=CC(=O)Cc1cccc(Cl)c1Cl"]
["178133064","CCCC[Cl+]CC[OH+]CC[Cl+]CCCn1[cH-][cH-][n-][cH-]1"]
["62988199","CCCCCCC1(CC)C(=O)N(C)C(=O)N(C)C1=O"]
["78129893","C=CC[N+](CCCC)(CCCC)CCCCCCCCCCCCCCCCCC"]
["85297404","CCCCOc1ccc(CNCCC)nc1"]
["185445572","CCCCCCCCCCN1CC[NH+](C)C1"]
["63377788","CCCCn1c(=O)nc(O)c2cc(CNCCC)cnc21"]
["46624118","CCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCCCCCCCCC"]
["175771298","CCCCOC(=O)N1C[C@@H](CO)[C@H](C)C1"]
["50985138","CCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCCCCC"]
["26925520","CCCCN1C(=O)OC(C)C1CC"]
["180273376","CCCCN1C=[C-]N2C(C)=Cc3cc(C)ccc3C12.[Rh+2]"]
["64896308","CCCCN1C=CNC1C"]
["167136381","C1=CC(C2=CC=[Si]=CC2)=CC=[Si]=1"]
["179622639","BrC1=CC=C2C=C=NC=C2C1"]
["189103144","O=CC1=CC=C(C2=CC=C(O)CC2)C=CC1"]
["25576564","C1=CC=C2CC=CO[C]2C=1"]
["70263473","COC1C(F)=CC=C2C=CC(=O)N=C21"]
["79660184","[CH2]CCC1=C(C)C=CC1"]
["101242007","FP1(F)=NP(F)(F)=NP(C#CC2=CC=CC2)(C#CC2=CC=CC2)=N1"]
["68107500","O=C1C=CC(C2=CCC(=O)C=C2)=CC1"]
["101818466","C[C]1C=C=NN1C1CC1"]
["61954433","ClC1=CC=[Si]=C1"]
["173846037","[B+]NB=C1CC=C=C2CCC[C-]12"]
["178264863","OC1=I[N-]C(=C2C=C=[N+]=CC2)[C@H]2CC12"]
["179024053","CN(C)C1=[C-]C=ICCC1"]
["134515814","CC1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(N(C)C)nc2)CC1"]
["157643234","C[C@H]1CCCCN1S(=O)(=O)NCc1cccc(N(C)C)n1"]
["85926490","CN(CCCN1CCCC1)c1ccccc1C(=N)S"]
["87241605","Cc1ccnc(N(C)CCN2CCCC2)c1C(=N)S"]
["138407537","CCCc1ccc(S(=O)(=O)N(C)CCCN2CCN(C)CC2)cc1"]
["17253178","COCCCN(C)S(=O)(=O)c1ccc2c(c1)CCCC2"]
["175555614","CN([NH-])c1ccc(N2CCCCC2)cc1.[W]"]
["25381772","CN(CCC1CCc2ccccc2C1=O)CC1CCC1"]
["26526942","C[C@@H]1C[C@@](c2ccc(Cl)cc2)(N(C)C)CCC1=O"]
["139808763","CC(C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC(CN2CCCC2)C1"]
["127410464","CC(C(=O)N(C)Cc1c(F)cccc1Cl)N1CCCC1"]
["193127974","C1=CN=CC1.c1nc[nH]n1.c1nn[nH]n1"]
["175509102","[Ce].c1nn[nH]n1"]
["174960917","ClC(c1ccccc1)c1ccccc1.c1nc[nH]n1"]
["170501522","O=S(=O)(O)Cc1ccc(Cl)c(Cl)c1.c1nc[nH]n1"]
["172987322","c1nn[nH]n1.c1nncnn1"]
["200366887","COc1ccc(NC=C(C#N)c2nn[nH]n2)c(Br)c1"]
["174475393","CC1(C)CC(=O)C2=C(C1)NC(COCCN)=C(C(=N)O)C2C1=CN=CCC=C1"]
["174608602","[Rh].c1c[nH]nn1"]
["MCULE-7249357256","CN(C(=O)CCCBr)c1ncnc2[nH]cnc12"]
["52744679","Cl.Nc1ccc(Nc2ccc(N)cc2)cc1.c1nn[nH]n1"]
["161150876","COC(=O)c1cc(-c2nnn(Cc3ccc(OC)cc3)n2)ccc1OC.c1nn[nH]n1"]
["200370577","N#CC(=CNc1cccc2c1CN=C(O)C2)c1nn[nH]n1"]
["97285543","C[Se]C1=C([Se]CCC[Se]C2=C([Se]C)SC(=C3SC4=C(S3)[Se]CC[Se]4)S2)SC(=C2SC3=C(S2)[Se]CC[Se]3)S1"]
["33348569","CCCC[Se]C1=C(c2ccccc2)C2CCCC(=O)C12"]
["88167245","CCc1nnc(CC2CCNCC2)s1"]
["84906648","CCC1CCN(c2nc(C(C)C)c(CO)s2)CC1"]
["157930503","CCc1cnc([C@H]2NC[C@H](C)S2)s1"]
["97163205","c1cc2ccc3c(cc-2c1)SC(=C1SC2=C(S1)[Se]CC[Se]2)S3"]
["157930502","CCc1cnc([C@H]2NC[C@@H](C)S2)s1"]
["34596728","C1CSC2=C(S1)[Se]C(=C1[Se]C3=C([Se]CC[Se]3)[Se]1)[Se]2"]
["85964523","CCC1CCN(c2nc(C(C)CC)c(CN)s2)CC1"]
["75061701","CCC1=C(Cl)C[C](c2ccccc2)C=C1"]
["32651990","COC(=O)C1=C(C(=O)OC)SC(=C2SC3=C(S2)[Se]CC[Se]3)S1"]
["54848522","CC(C)=C1[Se]CC[Se]1"]
["68352260","C[NH+]1C(=O)[NH+](CCCCCOP(=O)=O)C(=O)c2[n-][cH+][n-]c21"]
["97274374","COC(=O)c1ccc(OCCCCCCCCCCCOP(=S)(OCCCCCCCCCCCOc2ccc(C(=O)OC)cc2)[S+]=[N])cc1"]
["25053894","CCOCCCCOP(OCCCCOCC)OCCCCOCC"]
["145508789","CC(C)(C)OC(O)=NCCOc1cccc(-c2cccc(C=O)c2)c1"]
["175181170","COc1ccc(C(=[OH+])COP(=O)=O)c(Cl)c1"]
["185125698","CCCCCCCCCCOc1cc(NCC(=O)O)cc(OCCCCCCCCCC)c1"]
["24221979","CCCCCCOc1cccc(-c2nc(C(=O)O)cs2)c1"]
["100325508","O=P(=O)OCC[N-][C+]([O-])c1cc2ccccc2oc1=[OH+]"]
["181773626","CCCCCCCCCOP(OC)OCCCCS(=O)(=O)O"]
["102917301","CC1=C(C(=O)OCCCCO[N+](=O)O)C(c2cc[nH+]cc2)C([N+](=O)[O-])=C(C)[N-]1"]
["153023968","CCCCCCCCCCCCCCCCCCOP(N)OCCCCCCCCCCCCCCCCCC"]
["181379259","C=C(C)C(=O)OC(CC)(CC)CCCCOP(=O)=O"]
["101150699","CCC1(CC)COP(=S)(S#[Te]2(SSC(=S)N3CCCC3)CCCCC2)OC1"]
["58095915","CCC1(C(=O)O)CCCN(C(=O)Cc2ccsc2)C1"]
["116433326","CCN=C(NCC1(C)COC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1.I"]
["141183933","CCC1(CO)CCN(C(=O)C2CC3CCC2C3)CC1"]
["34450381","Cc1ccc(S(=O)(=O)/C(=C\\SC(=S)N2CCCCC2)c2ccccc2)cc1"]
["130942017","CCOC(=O)CN(C(=O)CN1CCC(CC)(CO)CC1)c1ccccc1"]
["105839548","CC[C@H](NC(=O)c1cc(C)on1)c1ccccc1OCC(=O)N1CCCC1"]
["138861125","CCCCN(CCCO)CC(=O)N1CCCC(C)C1"]
["189001456","O=C(CSc1nc2c([nH]1)NC(S)N=C2O)N1CCCC1"]
["MCULE-4019058569","Cc1c(OCC(=O)N2CCCCCC2)ccc2c(-c3ccccc3)cc(=O)oc12"]
["68645928","CCC1(CC)CCN(CC2CC3CCCCC3N2)CC1"]
["156706413","Cc1ncsc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1"]
["199344821","[O-][P+]1=c2ncoc2=NC=CO1"]
["172185470","C[C@H]1CCc2ocnc21"]
["85985756","CCCNCc1ncoc1C1CC2CC2C1"]
["87920914","Cc1ncoc1C(CN)C(C)C"]
["182893758","[N-]=[N+]=NC(c1ncoc1Cl)C1CC1"]
["163061795","Cc1ncoc1-c1nc(=N)s[nH]1"]
["107660507","NC1(c2cc3ncoc3s2)CCCC1"]
["49213601","CC(C)c1ncoc1-c1ccccc1"]
["87908083","Cc1ocnc1C1CC(N)CN(C)C1"]
["89177408","O=C(O)c1ncoc1C1CCSC1"]
["54655584","Cc1ncoc1-c1ccccc1"]
["105137122","C[C@H](O)c1cc(Br)cc2ncoc12"]
["63752812","N=c1[nH]c(=O)c2n[nH]c(COCCO)c2[nH]1"]
["105141949","OCCOCCN=C(O)c1ccccc1CBr"]
["81686793","CCC(Cl)CN1C(=[NH+]CCO)N=C2C1C(=O)N(C)C(=O)N2C"]
["175434864","NC(=O)C(=O)NOCCO"]
["124329399","OCCOCCCN=C(O)Nc1ccccc1-n1cccn1"]
["177695440","CN1C(=N)NC(c2ccc(O)c(-c3cncc(F)c3)c2)(c2cccc(CF)n2)C1=O"]
["99655501","N=c1nc(CCO/N=C/C(=O)Cl)[nH]s1"]
["MCULE-8536044815","CN(C)c1cccc(NCc2cc(=O)c(OCC(O)=Nc3nccs3)cn2CCOCCO)c1"]
["112829911","COCCCCCNC(=O)c1n[nH]c(=N)[nH]1"]
["63454779","CCOC(=O)c1cc(C2(c3ccc(COCCOCCOCCO)c(C(C)=O)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1OCCOCCOCCOC"]
["12356241","COc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)c1"]
["42350475","Cn1cc(N)cc1C(=O)OCCOCCO"]
["171313823","S=C([Se-])c1c(C([S-])=[Se])c(C([S-])=[Se])c2c[cH+][cH+][cH+][c+]2c1C(=S)[Se-]"]
["50376349","S=C([S-])c1ccc(C(=S)[S-])cc1"]
["171313837","S=C([Se])C1=C(C([S-])=[Se])[CH+][CH+]C(C(=S)[Se-])=C1"]
["185381877","S=C([S-])C1c2ccccc2Oc2ccccc21"]
["164479105","S=C([S-])N=c1[nH]ncs1.[Na+]"]
["99289896","CCCCNc1c(C(=O)OCC)c(C)nc2nccnc12"]
["79304093","C/C=C\\c1cc(N(C(=S)[S-])c2cc(/C=C\\C)c(/C=C\\C)c(/C=C\\C)c2/C=C\\C)c(/C=C\\C)c(/C=C\\C)c1/C=C\\C.C/C=C\\c1cc(N(C(=S)[S-])c2cc(/C=C\\C)c(/C=C\\C)c(/C=C\\C)c2/C=C\\C)c(/C=C\\C)c(/C=C\\C)c1/C=C\\C.[Zn+2]"]
["173570865","[As-]=c1nc2[cH+][cH+][cH+]cc-2c(=[As-])[n-]1"]
["171313871","S=C([Se-])[c+]1[cH+]c(C([S-])=[Se])c(C([S-])=[Se])[cH+][c+]1C(=S)[Se-]"]
["181030217","CN(C)N(C(=S)[S-])c1c(-c2ccccc2)n(C)c2ccccc12"]
["174272323","COc1c(C(=O)C=O)c2ccccc2n1OC"]
["174088458","O=C([Se])C1=C[C+](C(=O)[Se-])[CH+]C(C([O-])=[Se])=C1"]
["173390305","Cc1c(N=C(O)N2CCN(C)CC2)ccc2c1C1=CC=CC=C(C1)N2C(C)C"]
["61083531","CC(c1cccs1)N(C)CCC(O)=Nc1ccc(Cl)cc1F"]
["145774369","Cc1ccc(N=C(O)CC2(C(=O)O)Cc3ccccc3C2)c(F)c1"]
["21392722","CSCCc1ccc(NC(O)=NCc2cc[nH+]c(N3CCN(C)CC3)c2)cc1"]
["127405008","Cc1ccc(N=C(O)CCC(=O)N2CCOCC2)cc1OC(F)F"]
["58750307","CCNC(=Nc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc2occc2c1"]
["51410636","CCC(C)N=C(O)c1cccc(N=C(O)C(C)N2CCC(C(O)=NC(C)C(O)=Nc3ccccc3)CC2)c1C"]
["198332585","CC(Oc1cc(N2CCN(C)CC2)cc2nc(-c3c(O)nc4cccc(F)c4c3N)[nH]c12)C(=O)O"]
["MCULE-5319157049","CCOC(=O)N1CCC(C(O)=Nc2cc(F)cc(-c3cnn(C(C)C)c3)c2)CC1"]
["9349835","COc1cc(N=C(O)CCS(C)(=O)=O)ccc1N1CCCS1(=O)=O"]
["MCULE-7019668633","CC(C)Oc1cccnc1N=C(O)NN1CCN(C)CC1"]
["105557868","COc1cc(C)c(C)cc1C(=O)[C@@H](C)CN1CCN(C)CC1"]
["144321313","N#CCSCCCN1CCC2(CCOC2)C1"]
["156686834","O=C(CC1CCCC1)N1CC[C@]2(CCOC2)C1"]
["192088958","Cc1ccc([C@@H]2C[C@@]23CCN(CCCCc2nnc(C4CCOCC4)n2C)C3)c(F)c1.Cc1ccc([C@H]2C[C@]23CCN(CCCCc2nnc(C4CCOCC4)n2C)C3)c(F)c1"]
["159911772","CN1CCC(C(=O)N2CCOCC23CCC3)C1"]
["160417182","CCc1c(C(=O)N2CC(C)OC3(CCCOC3)C2)cnn1C(CC)CC"]
["107297329","COCCCN1C[C@@]2(CCCN(Cc3ccc4occc4c3)C2)CCC1=O"]
["131895148","OCCCCCN1CCC(O)(C(F)(F)F)C1"]
["120825839","N#CC1(C2(c3coc4ccccc34)COC2)CC1"]
["121306845","CCOc1ncccc1C(=O)N1CCOCC2(CCOCC2)C1"]
["160234918","COC1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCOC1"]
["MCULE-6571234260","Cc1cccnc1CN1CCC2(CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)C1"]
["158023064","C#CCCN1CCC[C@](O)(C(=N)O)C1"]
["179196385","CI(C)COC/C=C\\COCCNI(C)C"]
["175106746","C=C(CF)C(=O)OCCNS(=O)O"]
["113475581","CC(C)COCCNc1ncc[nH]1"]
["113033981","CCOCCNCC(C)(C)CCCCl"]
["87473081","CC(CO)(CO)NCCCOCC(F)(F)F"]
["26147060","CCCOCC=Cc1ccccc1"]
["190804181","[2H]C(=O)COCCOCCC"]
["93208791","CC(C)(CCCl)NCCOCC(F)(F)F"]
["48280232","C=CCCCC=CCOCCN(C)C"]
["79365085","CC=CCCC=CCOCCC=C(C)C(=O)O"]
["113350888","CCCOCCNCC(C)Cl"]
["93750765","CCCCOCCNC(C)c1c(F)cccc1OC"]
["195535417","C#CN=NOCC(COC[NH+](C)[NH-])ON=NC"]
["97981173","C#CCOCC(N=C(C)O)C(=O)N=C=S"]
["81843310","C#COCCOCC(CC)CCCC"]
["161675211","CCOCCOCCOCC(Cc1ccccc1)OCC"]
["70640770","C#CCCC(COC(C)(C)CC)O[Si](C)(C)C(C)(C)C"]
["69653082","C#CN=NC"]
["26403630","CCOC(C)=NOCC(O)CO"]
["175372085","C#CCOCC(COC(C)C=C)OP(O)(O)(F)F"]
["182849571","CC(CCOc1ccccc1)OC(OC(C)C(C)Oc1ccccc1)C(COc1ccccc1)ON=[N+]=[N-]"]
["183180617","CCCCCCCCCCCCCCOCC(CON=[N+]=[N-])OCC1CO1"]
["56199758","C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(=NC)nc2O)[C@@H]1O.[Y]"]
["73730371","C#CC(C)=CCON=C1CN=CNC1.Cl"]
["73594688","FC1=C=C[C]2C=COC2=C1"]
["96830290","FP12=C(C=CO1)C=CO2"]
["26636919","N#CC1=CC(F)=C=C[C]1CC(Cl)C(=O)O"]
["74504109","COC1=C=C[C]2C=COC2=C1"]
["149721876","FC1=C=CC(F)=CC(F)=C1S"]
["74898194","FC1=C=c2ccc3c(c2C=C1)C=C=C(F)C=3"]
["111071700","CCNC(c1ccc(Br)o1)c1cnccc1C(F)(F)F"]
["161406590","C[Si](C)(C)C1=C=C[C](F)C(F)=C1"]
["26616539","[O]C1=C=COC(CO)=C1"]
["169950156","FC1=C(F)C=CC(F)=C(F)C=C1"]
["74350519","FC1=C=[N+]=CC(c2cc[c-]c(F)c2F)=C1"]
["75714421","CC1=C=CC(=C2C=C[C](F)C=C2)C=C1"]
["196701996","C/C=C/C(C)(C)CC(C)/C=C(\\C)CC.C/C=C/C(C)(CC(C)C(SC(C)=O)C(C)CC(C)CC(C)(CC(C)/C=C(\\C)CC)SC(C)=O)CC(C)(CC(C)SC(C)=O)CC(C)(C)C(CC)SC(C)=O.CC(=O)S"]
["76694769","COC(OC)C(C)(C)C(=O)C(C)C(O)C(C)CCCC(C)=CCC(OC(C)=O)C(C)=O"]
["79821260","CCC(CC(C)C(=O)O)C(=O)CC/C(C)=C/C(C)C/C(C)=C/C(C)C(O)C(C)CCC(CCCC/C=C/C(C)CCC(C)C(C(=O)O)C(CC(=O)O)C(=O)O)OC(=O)CC(C(=O)O)C(C)C(=O)O"]
["31817698","CC/C(C)=C/C(CC(=O)O)c1ccc(OCc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1"]
["154047655","CCC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)C[C@@](C)(O)CC"]
["106901603","C=C[C@H](C)/C=C(\\C)CCC(=O)O"]
["169613166","C=CC(C)(CN=C(C)O)CC(C)(CC)SCC(C)(C=CC)CC(C)(C)N=C(C)O"]
["174869629","C=C/C=C(C(\\C)=C/C)/N(C/C=C/C)C(=O)C(C)CC"]
["193190148","CC[C@@H](C)C[C@@H](C)/C=C(\\C)C(=O)O.CC[C@@H](C)C[C@@H](C)/C=C(\\C)C(=O)OC(C)(C)C"]
["190458348","C/C(=C\\C=O)CCC1OC1(C)C.CC(=O)S.CC(=O)SC(C)(CC=O)CCC1OC1(C)C"]
["81272343","C=CC(=CC(=O)CC(C)CC(C)CCC(O)C(C)C(=O)CC(O)C(C)C(C)OC(=O)CC(C)C1=C(C)C(=O)OC1=O)CC"]
["181623178","CCC(C)C(Cl)COC(N=[N+]=[N-])(OCC(Cl)CC(C)C)C(C)(OC(=O)C(Cl)C(C)C)OC(C)OC(=O)C(C)Cl"]
["171383949","CC(O)=Nc1nc(O)c(N=C(C)O)c(N=C(C)O)n1"]
["144482448","CCc1nc(N=C(O)CN=C(O)Cc2ccccc2)n[nH]1"]
["131747598","CC(O)=Nc1nc(C(=O)N(Cc2ccccc2O)C(C)c2ccccc2)cs1"]
["131215218","CCc1nc(C)c(C(C)N(C)CCC(O)=Nc2ccccc2SC)s1"]
["16427984","CC(O)=Nc1ccc(N=C(O)c2n[nH]c3c2CCc2ccccc2-3)cc1"]
["33946611","CC(O)=N[C@@H](CS)C(=O)O.Nc1ccc(O)c(C(=O)O)c1"]
["MCULE-7409465964","CC(O)=Nc1ccc(C)c(N=C(O)C(N=C(O)Cc2nc(-c3ccc(C)cc3)oc2C)c2ccccc2)c1"]
["19075796","CCc1ncc(C(O)=Nc2ncccc2[O-])s1"]
["134575119","CC(O)=Nc1ccc(CN=C(O)c2ccc(Br)cc2O)cc1"]
["177455082","CC(O)=Nc1[nH]c(=N)c(Br)nc1Br"]
["12127452","C[C@@H](C(O)=Nc1cc(Br)cnc1O)N1C(=O)CCC1=O"]
["114337621","COc1cc(NCCNC(C)(C)C)ccc1N=C(C)O"]
["173427567","C=CCI=[n+]1cccc[cH-]1"]
["180195997","N=[N+]=CCC[n+]1ccccc1"]
["91275431","C=CCC(C)(Br)C=C"]
["79567763","C=CC[C]Cc1ccccc1"]
["99333938","C=CC[NH-].[Hf]"]
["47874746","OCC[n+]1ccccc1.[I-]"]
["190302995","C=C/C=C(\\C=C)C1=CN1C"]
["173418950","Br.C=CCP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1"]
["174335518","C=C/C(=C\\C)C(C)(C)SC(=S)c1ccccc1.CCC"]
["67780358","C=CCOCC=C.Oc1cccc(O)c1"]
["99233007","Clc1cccc[n+]1CCC[n+]1ccccc1Cl"]
["175607318","C=CC[SeH].C=Cc1ccccc1"]
["97424538","ClB1[N-]B(Cl)[N+](=c2cc[c+](-c3cc(C4=C[CH+]C(=[N+]5B(Cl)[N][B-](Cl)=NB5Cl)C=C4)cc(C4=C[CH+]C(=[N+]5B(Cl)N=[B-](Cl)[N-]B5Cl)C=C4)c3)[cH+][cH+]2)B(Cl)[N-]1"]
["MCULE-7705430461","Cc1ccc(C2=C(Nc3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1C"]
["167589664","Cn1cc(-c2ccc3c(C(O)=N[C@H]4CC5(C4)C[C@H](Oc4ncccc4C(N)=O)C5)cnn3c2)ccc1=O"]
["3880212","Cc1ccc(Nc2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])cc1F"]
["173109761","CPn1c2c(-c3ccc(S)cc3)c3nc(c(-c4ccc(C)cc4)c(C)ccc(C)c(-c4ccc(S)cc4)c4nc(c(-c5ccc(S)cc5)c1CC2)CC4)C=C3"]
["75450947","Cn1c(-c2ccc(F)cc2)nc2c(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc(=N)[nH]c21.N=c1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(SC3CCCC3)[nH]c2[nH]1"]
["31698561","CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)CO)CC3)c(Cl)c2)c1C#Cc1ccc(=N)[nH]c1"]
["28933887","CNc1cc(Cc2cnc3nc(=N)[nH]c(N)c3n2)ccc1C(O)=N[C@@H](CCC(=O)O)C(=O)O"]
["10672958","Cc1ccc(N[C@@H](C)c2nc(C(C)(C)C)no2)cc1Cl"]
["180287524","OC(Nc1cccc(OC(F)F)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1"]
["178295974","CCCc1nc2c(C)cc(-c3nc4c(n3C)CCC=C4)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]
["69973940","N=c1nc2ncc(CN3c4ccccc4C=Cc4cc(OCCCC(=O)[O-])ccc43)nc2c(N)[nH]1"]
["58768910","CC12CC3(C)C[Si-](C)(=[Si+][Si-](C)(=[Si+]3)C1)C2"]
["156949181","C[C@H]1SCC[C@H]1NCC1(C)CCCC1"]
["178683873","CC1(C)CC1(C)C=C(Cl)Cl"]
["98694811","CC(C)(C)OC(C)(C)C1(C)CC1(C)C"]
["153732281","CN(C)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2"]
["169616879","CC1(C)CC12CSNC1SC1S2"]
["150329303","CC12CC3(C)CC4(C1)CC(C)(C2)C34C"]
["173786815","COCC[C@@]1(N)OCO[C@@H]1N"]
["184667343","CC12CC([Si](Cl)(Cl)Cl)(C1)C2"]
["116278382","CC12CC3CC(C1)[N+](=O)C(C)(C3)C2"]
["96795629","CC[C@@]12C[C+]3C[C@@H](C[C@@](C)(C3)C1)C2"]
["18680862","CC(C)[C@]12C[C@@]3(C)C[C@](C)(C[C@](C)(C3)C1)C2"]
["175727537","CC1=CC(=c2c(C)cc(=C3C=CC(CCCCCCCCCC4C=C=C(C5=[C-][CH-]C(c6cc(C)c(OC(F)(F)F)c(C)c6)=C=C5)C(C)=C4C)C(C)=C3C)cc2C)C=C=C1OC(F)(F)F.[K+].[K+]"]
["180221458","CCOC(=O)CCCCCCCCCNC1c2ccccc2N(C)S(=O)(=O)c2cc(I)ccc21"]
["171187581","CCCCCC1CCC(CCC2CCc3c(cc(F)c(C4CCC(c5cc(F)c(OC(F)(F)F)c(F)c5)CC4)c3F)C2)CC1"]
["117967349","CN=C(NCCc1ccc(OC)c(OC)c1)NCc1ccccc1OC(F)(F)F"]
["164351674","Bc1c(B)c(-c2ccc3c(c2)C(=O)N(C(B)(B)c2ncccn2)C(B)(B)CO3)c(B)c(B)c1OC(F)(F)F"]
["79656038","CC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccccc3-c3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)CC1"]
["73879836","CCCC1=C=CC(=C2C=C[C](OC)C(C)=C2)C(c2ccc(OC)c(C)c2)=C1C"]
["179485774","Cc1ccc(COCC2C=CC(C(=O)CCCCC(C)C)=NC2)cc1OC(F)(F)F"]
["171294580","CCCC1=Cc2cc(F)c(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2CC1"]
["193711535","Cc1cc(C(F)(F)F)cc2nc(CC3=C(Cl)C(C(F)(F)F)=CC(N)C3(N)Cl)[nH]c12"]
["80221772","COc1c(C)cc(C2=NOC3(C2)CC(C(O)=NC(CC2CC2)C(=O)C(N)=O)N(C(=O)C(N=C(O)CC2CCCCC2)C(C)(C)C)C3)cc1C"]
["182344993","COc1[nH+]cc(C2=C3NCNC3C(c3ccccc3)C=C2)cc1C"]
["184246505","CNCCN(C)C1NC(C2CCC[C-]3NCC(C)=C=C32)NC2=C[N-]CC(C3CC[I+]3)=C21"]
["116454557","CN=C(NCCCN1CCCC(C(=N)O)C1)N1CCOC(c2ccc(C)cc2C)C1"]
["93564871","CN(C)CCn1ccc(=NC2CCOC2)[nH]1"]
["180893270","COC1=CC(C)=C(N)C(N(C)CC2=C[N-]C(C3C[I+]3)[C-]=C2)N1"]
["176269881","CCC12CCC(CC)(CC(c3n[nH]cc3CN(C)CCNC)C1)O2.CCC12CCC(CC)(CC(c3n[nH]cc3CN(C)CCNC)C1)O2"]
["146624341","CNCCN(C)C(=O)C1CCCN(C(O)=Nc2ccccc2)C1.Cl"]
["156977331","CN[C@H]1CCC[C@H]1c1ccsc1C"]
["106376925","COc1ccc(C)cc1[C@H]([C@@H]1CCCN1)N(C)C"]
["116470206","CN=C(NCc1ncc(C)s1)N1CCOC(c2cnn(C)c2)C1"]
["170084066","CCCN(C)CSc1ccc(C2CCCCN2)cc1NC"]
["174001179","CC/C1=C(\\N(C)C(=N)SF)NCCC2NC=C2N1C"]
["116469777","CN=C(NCCCCC(C)C)N1CCOC(c2cnn(C)c2)C1.I"]
["179066980","CCC(C)(I)CCC=C1C=C(C=C=C(C[Cl+]C)[C-]2C=[C-][C@H](CC(C)(F)F)I=C2)C(Cl)=C[C-]1I(C)C"]
["171293968","CCCCCC1CCC(CCC2=Cc3ccc(-c4ccc(CC)c(F)c4F)c(F)c3CC2)CC1"]
["75280181","Cc1cc(C(C=C(CC(F)(F)F)c2cc(Cl)cc(Cl)c2)=NO)ccc1C(=O)OC(C)(C)C"]
["183243298","CCCCOC(=O)N(Cc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1)CC1CC1"]
["64978030","CCC(C)(C)C1CCC(N)(Cc2ccn(C(C)C)n2)CC1"]
["174310948","C=C(Cl)/C(=C\\C(CC)C1=C(CO)C(F)[C@@H](C)C(Br)=C1O)C(F)(F)F"]
["171198032","C=Cc1ccc2cc(C(F)=C(F)C3CCC(CCC)CC3)ccc2c1"]
["173306084","CC(C)(c1ncc(-c2ccc(Cl)cn2)o1)N1CCNCC1.OC=NCC(F)(F)F"]
["61606947","CCC(C)(C)n1c(CCCl)nc2cc(I)c(F)cc21"]
["75966989","CCC(C)(C(C)CC1CC2CC(CC(C)(O)C(F)(F)F)C1C2)C(F)(F)F"]
["59964324","CCCCC(C)([C@H](O)C=C[C@H]1CC[C@@H]2OC(=CCCCC(=O)O)C(F)[C@@H]21)C(F)(F)F"]
["184102666","CO/C(=C/C(=O)OCC(F)(F)F)COc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl"]
["179950606","C=COc1cc(Oc2ccc(-c3nc(=Nc4cccc(C(F)(F)F)c4)[nH][nH]3)cc2CSc2nc(NCCC)cc(Oc3ccc(-c4n[nH]c(=Nc5cccc(C(F)(F)F)c5)[nH]4)cc3)n2)nc(Nc2c(SC(C)(C)C)nc(=N)[nH]c2Oc2ccc(-c3n[nH]c(=Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)n1"]
["168440005","O=c1sc(C=C2C=Nc3ccccc32)c(O)n1CC(O)=Nc1cccc(C(F)(F)F)c1"]
["97993154","CC(F)(F)c1cc(N=c2nc(-c3cccc(C(F)(F)F)n3)[nH]c(=NC3CCC(F)(F)C3)[nH]2)ccn1"]
["171815837","COc1nc(-c2ccnc(-c3cccc(Nc4cc(F)cc(C=O)c4F)c3Cl)c2Cl)ccc1CN(C[C@@H]1CCC(O)=N1)C(=O)OC(C)(C)C"]
["150387238","CCCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12"]
["73718543","C=C(CCl)COc1ccc(CNc2cc(=Nc3ccc(C(O)=NCC(C)(C)CC)cn3)[nH]c(OCC(F)(F)F)n2)cc1"]
["168514044","C=CS(=O)(=O)CCN=C(O)c1cccc(N=c2nc(F)[nH]c(=Nc3cc(S(=O)(=O)O)cc4c(N=Nc5cc(S(=O)(=O)O)ccc5S(=O)(=O)O)c(S(=O)(=O)O)cc(O)c34)[nH]2)c1"]
["76201474","CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-].COc1cc(OC)nc(N=C(O)NS(=O)(=O)c2ncccc2C(F)(F)F)n1"]
["MCULE-8398480897","CCN=c1nc(N2CCN(c3ccccc3Cl)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1"]
["458374","OCCn1cnc2c(O)nc(=Nc3cccc(C(F)(F)F)c3)[nH]c21"]
["163722099","CC(C)(C)Nc1ncc2[nH]c(=Nc3cccc(C(F)(F)F)c3)n(CCC3CCCN3)c2n1"]
["75969218","FC(F)(F)c1cccc(N=c2[nH]c(-c3ccc(C4CC[CH]CC4)cc3)cs2)c1"]
["195749485","CC1=C(c2c([Si+](C)C)c3c(c4ccccc24)C2C=CC(N4C5=C(C=CCC5)[Si]5(CCCC5)C5=C4CCC=C5)=CC2[Si]3(C)C)C=CC(N2c3ccccc3[Si]3(CCCCCC3)c3ccccc32)C1"]
["195617043","Cc1cc(C)c(-c2c(C)cc(C)c(C)c2OP(n2cc(C)c3ccccc32)n2cc(C)c3ccccc32)c(OP(n2cc(C)c3c2CCC=C3)n2cc(C)c3ccccc32)c1C"]
["180924431","N=C(S)N/N=C/N1C2=C(C=CCC2)Sc2ccccc21"]
["11933620","COc1ccccc1-n1c(SCC(=O)C2=NC=CC2)nc2ccccc2c1=O"]
["174071082","CCCC[N+]1(CC(C)=[Si+]C)CC2=C(CCCC2)C2(C)C(C3=CN4c5ccccc5N(CC5=C=CCC[CH-]5)C4c4c3ccc3c5c(oc43)CCC=C5)C21C"]
["68242672","Cc1ccc(C)c(N2C/C=C\\CCC(=O)N(C)[C@@H](C)[C@H](c3ccccc3)OC(=O)[C@@H]3[C@H]4C(=O)N(CCCCCO)[C@H](C2=O)[C@]42C=C[C@H]3O2)c1"]
["178971488","C1=CCCC(N2c3ccccc3C3C=C(C4=CC5c6ccccc6N(c6ccc7oc8ccccc8c7c6)C5C=C4)C=CC32)=C1"]
["78439980","C1=CC2c3ccc(/C=C/c4ccc(N5c6ccccc6Cc6ccccc65)c5ccccc45)cc3C3(CCCC3)C2C=C1N1c2ccccc2Cc2ccccc21"]
["180192454","Clc1nc(-c2cccc3c2-c2ccccc2C32C3=C(C=CCC3)c3ccccc32)c2sc3ccccc3c2n1"]
["9178678","C[C@@H]1c2[nH]c3ccccc3c2CCN1C(O)=Nc1ccccc1N1CCCC1"]
["195579541","C1=CC(N2c3ccccc3B3c4cc(-c5ccc6c(c5)oc5ccccc56)cc5c4N(c4cccc2c43)C2CC=C(C3C=CC4=C(CCc6ccccc64)C3)C=C52)=CCC1"]
["188862355","C=C1N(C)c2ccccc2N1C1=CN=C(NCC(C)(C)F)CC=C1"]
["193191083","Brc1cnc2[nH]cc(-c3cnco3)c2c1.C[Si](C)(C)C1=Nc2[nH+]cc(Br)cc2C1=C1C=[NH+]N(S(=O)(=O)c2ccccc2)C1.O=S(=O)(c1ccccc1)N1CC(=C2C=Nc3ncc(Br)cc32)C=N1"]
["54400940","Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnn1-c1cccc(Br)c1"]
["147744157","C=CC(O)=Nc1cccc(-c2cnc3[nH]cc(-c4cc[nH]c(=NCCC)c4)c3c2)c1"]
["47752941","COCc1cccc(N=C(O)c2[nH]nc3ncc(Br)cc23)c1N"]
["198830514","CC1CNc2ccccc2N(Cc2cccc3c2CN(C2CCC(O)=NC2=O)C3=O)C1"]
["177579546","CNc1cc(-c2cn([C@H]3CCOC[C@@H]3OC)c3ncccc23)nc2c(C(O)=NC3CCC3F)cnn12"]
["45075218","NC[C@H](Cc1cccnc1)N=C(O)/C=C/c1c[nH]c2ncccc12"]
["49133519","Cc1ccc2c(c1)/C(=C1/NC(c3c[nH]c4ncccc34)=CS1)C=N2"]
["MCULE-5159540995","CC(C)(C)OC(=O)N1CC(F)CC1C(O)=Nc1ncc(-c2ccc3ccccc3c2)nc1C#N"]
["MCULE-5840413335","CCCN=C(O)COc1cn(CCc2cnc[nH]2)c(CNc2ccccc2C(C)C)cc1=O"]
["75295243","CC(C)(C)N=CC(=O)Cc1c(Cl)nnc2c1ccn2S(=O)(=O)c1ccccc1"]
["187511234","COCC1=CC(c2nnc3c4ccccc4c(OCc4ccc(C(O)=N[C@H](C)COC)cn4)nn23)NO1"]
["43295560","C1NC[C@H]2[C@@H]1C[C@@H]1CSCN12"]
["171709623","Cc1ccccc1[C@@H]1[C@H]2CNC[C@H]2CN1C(=O)c1cc(-c2ccccc2)n(C)n1.Cl"]
["52785561","Cl.Cl.IC1CCCCN1C1CCNC1"]
["161102496","O=C1CN(C(O)=NC2CC3CC3C2)CCN1C1CC1"]
["92451738","C1CCC(C2CNC2)C1.Cl"]
["MCULE-5505837356","COc1ncc(-n2cc(CBr)c(C3CNC3)n2)cc1C"]
["159143001","NC[C@@H]1CCN1[C@@H]1CCSC1"]
["158409673","C[C@@H]1CCN([C@@H]2CCSC2)C[C@@H]1Cl"]
["27396956","Clc1ccccc1C1CCCN1C1CC2CNCC1C(N1CCCC1c1ccccc1Cl)C2"]
["156407657","CCN1CCNC[C@@H]1C1CC1"]
["147052653","Cl.O=C(C1C2C3CCC(C3)C12)N1C[C@H]2CNC[C@H]2C1"]
["162957675","C1CN(C2CNC2)[C@@H]2CNC[C@H]2O1.Cl"]
["171699416","NCC1C(CC(=O)O)OC(CC(=O)O)(CC(=O)O)C(CN)(CC(=O)O)N1CC(=O)O"]
["162849379","Cl.O=C(O)CN1CCC1c1ccccc1"]
["68840261","NC1CCCCC1N=C(O)CCC(=O)O"]
["58692749","Cc1ccc(C2(O)C=CC=CC2CC(=O)O)cc1"]
["151215210","Cc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)nc1O"]
["105171685","CCN=C(O)CN(CC)[C@H]1CCCC[C@@H]1CN"]
["53904744","CC(C)c1c(C(=O)O)nnn1Cc1noc(C(C)(C)C)n1"]
["146166334","Cl.NCC(N=C(O)C1CCOc2ccccc21)C1CC1"]
["MCULE-3959781784","O=C(O)CC1CC2(C1)CC2(F)F"]
["197225403","CC(C)(C)OC(O)=NC1(CC(=O)O)C[C@@H]2OCC[C@@H]21"]
["161106750","C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@]1(C)CN"]
["174968426","NCC(=O)OC1(P(=O)(O)O)O[C@H](CO)[C@@H](O)[C@H]1O"]
["167348981","CC(C)(C)[Si]1(C(C)(C)C)OC[C@@H]2[C@@H]3[C@@H](COS(=O)(=O)N32)O1"]
["162723993","CC(C(=O)N1CC(O)CO1)C(C)(C)C"]
["90818005","O=C1OCC(C(c2ccccc2)c2ccccc2)N1N=Cc1ccccc1"]
["167417211","COc1ccc([C@@H]2[C@@H]3O[C@]4(COC[C@@H](c5ccccc5)N4C3=O)N2Cc2ccccc2)cc1"]
["34120569","C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@@H]1C"]
["158283980","CN1CC[C@@H]2CCN(C(=O)CC(F)(F)F)[C@@H]2C1"]
["107520089","CN1CC[C@H]2[C@@H](C(=O)O)OC[C@@H]21"]
["58731431","COc1ccc(O[C@@H]2O[C@@H]3CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]3[C@H](O[C@@H]3O[C@H](C(=O)OCc4ccccc4)[C@@H](OC(=O)CCC(C)=O)[C@H](OCc4ccccc4)[C@H]3OC(=O)c3ccccc3)[C@H]2N=C(O)C(F)(F)F)cc1"]
["158423556","C[C@@H]1CN(C[C@@](C)(O)C(F)(F)F)CCS1(=O)=O"]
["34593718","C[C@](O)([C@@H]1CCCCC1=O)[Si](C)(C)C"]
["93045512","CC1(C)CN(C(=O)C(C)(N)C(F)(F)F)CC(CO)O1"]
["32333559","CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2S[C@@H](n3cnc4ncnc(N=C(O)c5ccccc5)c43)C[C@@H]2O1"]
["32596262","C=C(C[C@H]1C[C@](C)(O[Si](CC)(CC)CC)C[C@@]2(C[C@@H](OC(C)=O)C[C@H](CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)O2)O1)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C(=O)C[C@@H]1C[C@H](OC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](/C=C\\CCC[C@H]3O[C@@](OC)([C@@H](O[Si](CC)(CC)CC)[C@@H]4OC=C[C@H](O[Si](CC)(CC)CC)[C@H]4C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3C)O2)O1"]
["101111071","CC[Si](CC)(CC)O[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccc(Br)cc2)O[C@H]1C=O"]
["169964497","C=[N+](C)[C@@H]1C[C@@]2(CN1C(=O)[C@H](CC1CC1)N=C(O)C1C3CC3CN1C(=O)C(F)(F)F)C(O)=Nc1ccccc12"]
["78765980","CC(=O)O[C@@H](C)/C=C\\C(O)=N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(O)=NN=C(O)OCc3ccc(N(C(=O)[C@@H](N=C(O)CCCCCC(=O)ON4C(=O)CCC4=O)C(C)C)[C@@H](CCCNC(=N)O)C(=N)O)cc3)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C"]
["173887433","CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(I)[C@@H](OC(=O)N2CCN(C)CC2)/C=C/[C@@H]1C"]
["34585372","CCC(=O)O[C@@H]1CC(=O)O[C@H](C)CCN(CCCc2ccnc3ccccc23)C[C@H](O)[C@H](C)C[C@H](CC(OC)OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(C)=O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC"]
["149615188","COc1cc2cc(-c3ccc(OC(C)C)cc3)nc(OC3CC4C(O)=NC5(C(O)=NS(=O)(=O)C6(C)CC6)CC5C=CCCC(C)CC(C)C(N=C(O)OC(C)(C)C)C(=O)N4C3)c2cc1F"]
["90690306","C=CCOC(=O)C1=C2CN(C(=O)CN=C(O)OCC=C)CCC2C2C(C(C)O[Si](C)(C)C(C)(C)C)C(=O)N12"]
["67990381","C=CC1C2CCN1C([C@H](OC(=O)[C@H](CNC=C1C=C(C(C)(C)C)C=C(C(C)(C)C)C1=O)NC=C1C=C(C(C)(C)C)C=C(C(C)(C)C)C1=O)c1ccnc3ccc(OC)cc13)C2"]
["185810200","CCCCC(CC)COc1cccc(S(=O)NC2(C)C=C(OC(=O)CCCCCCCCC3CO3)C=CC2)c1"]
["101070586","C#C[C@@H]1O[C@H](CC[C@H](C)/C=C/C[C@H](C)C[C@H](C)C(=C)CO)[C@H](C)[C@H](O[Si](CC)(CC)CC)[C@H]1C"]
["175319852","C=C(C(=O)[C@@H]1OC(=O)C[C@H]1[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=CC45CC35CC[C@]12C)[C@@H](C)COC(O)=Nc1ccccc1"]
["49285318","COC(OC)O[Si](C)(O[Si](C)(C)O[Si](C)(OC(OC)(OC)OC)O[Si](C)(C)OC)O[Si](C)(OC)O[Si](C)(OC)OC"]
["43250480","C=C[Si](C)(C)O[Si](C)(C)OC(OC)OC"]
["44467162","CO[Si](C)(C)O[Si-]=[O+]C"]
["193018909","CC([SiH3])[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C(C)[SiH3]"]
["155193533","COC(C)(C)[C@@H](Br)c1nc2ccc(Br)c(C)c2[nH]1"]
["192363757","C=C[SiH]1O[SiH](C=C)O[SiH](C=C)O[SiH](C=C)O1.CO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC"]
["79480212","CCC(C)O[Si](C)(C)O[Si](C)(O[Si](C)(C)OC(C)CC)O[Si](C)(O[Si](C)(C)OC(C)CC)O[Si](C)(C)OC(C)CC"]
["181350834","CO[Si](OC)(OC(F)(F)F)C(F)(F)C(F)C(F)(F)F"]
["91541759","COC(O[Si](C)(C)OC)=C(C)C"]
["196793572","CO[Si](C)(OC)O[Si](C)(O[Si](C)(C)O)c1ccccc1.[Y]"]
["100772496","C=C[Si](C)(OC(C)C(C)(CC)[Si](C)(C)OC(C)[Si](C)(OC)OC)O[Si](C)(OC)OC"]
["164211877","CO[Si](C)(O)O[Si](C)(C)O[Si](O)(OC)OC"]
["172349542","C[Si]#[Si][Si-]=[Si]=[Si]=[O+]C[Si-]=CC=C1C=CC=C[CH+]1"]
["175340283","O=C(NO)c1ccc2c(c1)CCN(S(=O)(=O)c1ccc(I)cc1)C2"]
["182754282","COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)C=Cc1ccccc1)CC3CCl"]
["181926939","C.CCCCCCCCCCCC=C1[C-]=CC=C[CH-]1.[Mg+2]"]
["171532318","C[Si-]=C(C=C1C=CC=C(O)[CH+]1)C(C)(C)C"]
["97381646","CCCCCCCCCCCCCCCCCCN=C1C=CC=C[CH+]1"]
["112358173","COC1(C=O)CCc2c(Cl)cccc21"]
["173662378","C/C=N\\N1C=CC=C/C1=C\\CCC"]
["192310334","[NH3+]CCCCCC[NH3+].[O-]P[O+]=C1C=CC=C[CH+]1"]
["91254286","CC=C1C=CC=C(Cl)[CH+]1"]
["61187412","C.CC=C1[C-]=CC=C[CH-]1.[Y]"]
["91009342","O=CN=C1C=CC=C[CH+]1"]
["189346641","NCCCN(CCCN)CCP(=O)(OCCCCCOP(=O)(CCN(CCCN)CCCN)OCC12CC3CC(CC(C3)C1)C2)OCC12CC3CC(CC(C3)C1)C2"]
["132714779","CN(Cc1cn(Cc2cccnc2)nn1)CC12CC3CC(CC(C3)C1)C2"]
["48351667","OC(=NCC12CC3CC(CC(C3)C1)C2)C1CC(O)CN1"]
["116806153","O=C(CN=C(O)CC12CC3CC(CC(C3)C1)C2)N1CCC(CO)C1"]
["1785396","COC(=O)CC[NH+](C)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2"]
["68141262","Cc1cc(C)c(C)c(OCc2csc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)c1"]
["59075220","COC(=O)CC(C)SCCC12CC3CC(CC(C3)C1)C2"]
["79579477","CCCCCCCC/C=C\\CCCCCCCCOP(=O)(O)OCCCCCCCC/C=C\\CCCCCCCC.CCCCCCCCN"]
["54418134","CN(C)C(=O)[C@@H](OC(=O)CN=C(O)C12CC3CC(CC(C3)C1)C2)c1ccccc1"]
["48063866","C/C=C/c1ccccc1OCc1csc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1"]
["89598981","CN(CC12CC3CC(CC(C3)C1)C2)c1cc[nH]c(=N)c1"]
["102974392","Brc1ccc2c(c1)C(CCCCCCC13CC4CC(CC(C4)C1)C3)(CCCCCCC13CC4CC(CC(C4)C1)C3)c1cc(Br)ccc1-2"]
["176306827","C=C(N)/C=C\\C(=C)OC(=C)[C-]=CC(=C)C1(C(=C)/C=C\\C(=C)OC(=C)/C=C\\C(=C)N)CCCCC1.[Re]"]
["177260175","C=C(CC)CN(c1nc(SC)ncc1C(=C)CC)C1(N)CCCCC1"]
["100293734","NC1(OS(=O)O)CCCCC1"]
["44463845","COc1nc(NC2(CO)CCCCC2)ccc1N"]
["103128583","COC(=O)C1(C(=O)/C=C\\c2ccc(Cl)cc2)CCCCC1"]
["95256848","C=C(CC)CC(=O)CC1(N)CCCCC1"]
["195638730","NN=C(O)C1(Oc2cccc(Cl)c2F)CCCCC1"]
["62017021","C=NC1(N=C)CCCCC1"]
["60519619","CC(N=C(O)C1(C#N)CCCCC1)c1ccc(Cl)cc1Cl"]
["160203766","COCC1CN(C(O)=NC2CC23CCCCC3)CC(C)O1"]
["88717669","N=C(O)OCCN=C(O)CC1(N)CCCCC1"]
["116840854","Cc1cccc(CS(=O)(=O)CC2(O)CCCCC2)c1"]
["172325995","O[B+]O[B+]OC1=[C-]CC=C(O)[C-]1O"]
["145417259","Oc1cc(Cl)c(Cl)cc1OC(F)F"]
["162518520","N[C@H]1CCc2c1ccc(Cl)c2O"]
["180922920","Oc1ccc[c-]n1.[U]"]
["MCULE-5756212918","CCC1CC=C(c2ccc(N=C(C)O)c(OC)c2)CC1"]
["150051632","O[B+]O[B-](O[B+]O)=C1C=C[N-]C=C1"]
["195519369","[B+]=IC1=CC[C-]=C(N=C(O)/C=N/O)[C-]1F"]
["166700188","O=C(CCBr)c1cccc(OC(F)F)c1O"]
["90067875","Cc1cc(Cl)c2c(c1)S(=O)(=O)C(C)(C)CN2"]
["163207389","Cc1cc2cc(OC(F)F)c(O)cc2s1"]
["184796830","N=C(O)C1=CNCNN1"]
["180575281","O=C=C1CC(O)=Nc2cc(Cl)ccc2[C-]1O.[CH3-].[U+2]"]
["174074412","[B+]=C1C(=[B+])[C-](C)C(=[B+])C(P)=C1C(C)(C1=C(F)C(=[B+])[C-](C)C(=[B+])[C-]1F)[c-]1[cH-]c(=[B+])[c-](P)c(=[B+])[c-]1P"]
["174138790","[B+]=C1C(F)=C(F)C(C(C)C)=C(F)[C-]1C"]
["178665141","[B+]C(C)(C)C1=C(F)C(F)=C(F)[CH-][C-]1F"]
["173686636","[B+]=C1C(=[B+])[C-](C)C(=[B+])C([CH-][CH2-])=C1F"]
["174075183","[B+]=C1[CH-]C(F)=C(C)C(F)=C1C(C)(C)C"]
["194245749","Cc1ccc(I=c2ccc(C)c[cH-]2)cc1.[B+]=C1C(F)=C(F)C(F)=C(F)[C-]1F"]
["173712609","[B+]=C1C(F)=C(C)C(P)=C(OC(C)(C)C)[C-]1F"]
["100326419","[B+]=C1C(=[B+])[C-](C)[C-](C)C(=[B+])[C-]1C"]
["174768397","CCCC(C)c1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.CCCCC.[B+]=C1C(P)=C(F)C(F)=C(F)[C-]1F"]
["176179767","[B+]=C1C(=[B+])[C-](n2c(=[B+])[c-](C(F)(F)F)[cH-]c(=[B+])[c-]2[O-])C(=[B+])C(=[B+])[C-]1F"]
["174101685","[B+]=C1C(=[B+])C(=[B+])[C-]([C-]2C(=[B+])C(=[B+])C(=[B+])C(=[B+])[C-]2N[C-]2[CH-][CH-][C-](C(C)(C)C)[CH-][CH-]2)C(=[B+])C1=[B+]"]
["174825857","[B+]=C1[CH-]N=C(F)C(=[B+])[C-]1C"]
["69654357","CN[n+]1c[n+](C)c[n+](NCN=NCN=N)c1"]
["111571000","CCN(C(=O)c1ccc(I)c(Cl)c1)C1CCNC1"]
["49539597","C[n+]1cc[n+](-c2nc(Nc3ccc([N+](=O)[O-])cc3)nc(-[n+]3cc[n+](C)cc3)n2)cc1"]
["117797541","COc1ccc(NC(=N)NCCNC(=O)c2ccc(Cl)cc2)cc1Cl"]
["115396733","CCC(C)NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1"]
["200391767","CCCCC(O)=Nc1ccc(NC(=N)CCl)cc1Cl"]
["67156438","CCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1"]
["114516091","CCCS(=O)(=O)Nc1ccc(Cl)c(OC)c1"]
["75504520","CNc1ccc(N=NCN=Nc2ccc(NC)cc2)cc1"]
["98262637","CCCCN=C(c1ccc(CC)c(Cl)c1)C1CC1C(=O)OC"]
["183732807","CCSC(=N)Nc1ccc(Cl)c(CN=[N+]=[N-])c1"]
["43757986","CC(C)C(O)=NCCNC(=O)c1nc(C(C)C)ncc1Cl"]
["177550476","Cn1c2c(n3c4c(nc13)C=CC=CC4)CC=CC=C2"]
["173151896","CN1Cc2c([NH3+])ncn2N1N"]
["1754458","Cc1nn(C)cc1[C@@H](C)N=C(O)CCCC(O)=N[C@H](C)c1cn(C)nc1C"]
["173441687","CC.CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(O)=NCCN(C)C)cn3C)n(Cc3csc4c3CC=CC=C4)nc21"]
["151447505","COc1ncccc1C(=O)N1CCC[C@@H](c2ccnc(O)n2)C1"]
["174512795","CC(=O)C1=C(C)C=CC=CC1"]
["102941235","C[N+]12CCO[B-]1(C1=NC(=[Br+])CC=C1)OCC2"]
["155061041","Cn1ccc([C@H]2CCCN(C(=O)CCCl)C2)n1"]
["170835124","Cn1c(-c2ccc3cc(-c4ccc5ccc(-c6ccc7cc(-c8nc9ccccc9n8C)ccc7c6)cc5c4)ccc3c2)nc2c1CCC=C2"]
["172943537","CC(=C1C=CC=CC1)C(F)(F)F"]
["75623121","C1=C[NH+]=C2C=C[N]C=C2C1"]
["97198689","O=C1N=C2CC=CC=C2c2ccccc21"]
["179862589","N/C1=C(\\N)C(N)C(N)C(N)C(N)C(N)C(N)C(N)C(N)C1"]
["174049553","CC.CC1c2cccnc2CC1N"]
["173029421","C=C1CC(C)C(N)CN1"]
["47355383","N#Cc1cccc(NC2CC2N)n1"]
["166535102","N[C@@H]1C[C@H](N2CCC2)c2ccccc21"]
["158067837","Cc1cnc([C@@H]2OCCC[C@@H]2N)s1"]
["91713243","C#COc1ccc(C2CC2N)cc1"]
["168424409","NC1=[N+]([O-])C(N)C(N)=[N+]([O-])C1N(CCO)CCO"]
["94022582","CC1C(N)C(C)C1c1ccccc1F"]
["112326239","Nc1cccc2c1OCC(N)C2"]
["63794113","CC1CC(N)c2ccccc2C1c1ccccc1"]
["178561244","NC1[C@@H](N)[C@@H](N)CCCC[C@@H](N)[C@H]1N"]
["173694152","CC([B]C(C)C(S)N=C(O)C(C)CC(C)C(C)C)CC(C)C(C)C"]
["106510787","CC(C)[C@H](C)N=C(O)N[C@@H](C)c1ccc(C(F)(F)F)cc1"]
["139687260","CC(O)=N[C@@H](CC(C)C)C(O)=NCC(F)(F)F"]
["194781990","CC(C)CC(C)C(O)=Nc1cnc(Cl)nc1"]
["79759078","COC(=O)C(CO)N=C(O)[C@@H](C)N"]
["150394030","CCC(C)(C)C(C)C(C)CC(C)C(C)C"]
["88501026","CN=C(O)C(C)NC(C)c1ccc(F)c(OC)c1"]
["114114430","CC[C@H](CO)N=C(O)C(N)CC(C)C"]
["57543159","CC[C@H](C)[C@H](N)C(O)=NN"]
["6214635","CC(C)N=C(O)CN(C)C(=O)C[C@H](C)C(C)C"]
["194056232","C.C.C=S(C)CC(C)C(O)=NC(C)C(O)CN(C)S(C)(=O)=O"]
["174871776","CCC[C@H](N=C(C)O)C(C)C"]
["200007989","Cn1ccc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC(NC(=O)c5cc6cc([C@@H](F)P(=O)(O)O)ccc6s5)C(=O)N43)C3(CC3)C2)cc1=O"]
["160553958","CC1CCCC(N=C(O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1"]
["139799485","COCc1nc2n(n1)CCCC2NC(=O)c1sc2ccc(OC)cc2c1C"]
["196472821","O=C1CC2(CCCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21"]
["146890143","Cl.O=C(NCCCCNc1ccccn1)c1ccn(C2CCCNC2)n1"]
["132000319","CC(C)(C)n1cc(C(=O)N2CCCc3ccccc3C2)cn1"]
["165374040","CC1(C)CC(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c2ccccc2O1"]
["MCULE-4846646945","COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)C2c2ccc(Cl)c(Cl)c2)cc1OC"]
["128244788","CC(C)c1nn(C)c2sc(C(=O)NC3CCN(C(=O)C4CCCC4)C3)cc12"]
["170942897","COC(=O)N1c2ccc3c(nc(C[C@@H](C(=O)O)c4ccccc4)n3[C@H]3CCC[C@@H](CO)C3)c2CC[C@@H]1C"]
["170999710","O=C1c2ccccc2C(=O)N1OC1(C(=O)OC(c2ccccc2)c2ccccc2)CCCC1"]
["174080871","CC(C)(C)S(=O)NC(c1cnn2cc([C@@H](N=C(O)c3cnnn3CCC(F)(F)F)C3CCC(F)(F)CC3)nc2c1)C1CC1"]
["166548785","N#COc1cc(-c2cc(N=C=O)oc2OC#N)c(N=C=O)o1"]
["157791918","CCc1ccc(N=C=O)cc1C"]
["MCULE-3737489550","CC(C)Oc1ccc(-c2ccc(N=C(O)c3cc(=O)c4ccccc4o3)c(C#N)c2F)cc1"]
["184617815","N#C/C(=N/OS(=O)(=O)C(F)(F)F)c1cccc(/C(C#N)=N\\OS(=O)(=O)C(F)(F)F)c1"]
["125798582","Cc1nnc(-c2cccc(C(=O)OCC3CCCCO3)c2)o1"]
["152306485","N#C/C(=C\\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(O)=Nc1ccc(Cl)c(Cl)c1"]
["73792985","Cc1cc(N=C=O)cc(C)c1Br"]
["154988560","N#C[C@@H](N=C=O)c1cc(Cl)ccc1F"]
["152401105","COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\\C#N)C(O)=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1"]
["182927168","CCc1cc(ON=[N+]=[N-])c(C)cc1OC#N"]
["144887591","COCc1cc(OC)c(F)cc1CN=C=O"]
["4632826","CO[C@@H](C)CC([O-])=NS(=O)(=O)c1ccc(F)c(C#N)c1"]
["184374365","N[I+]C1CC[CH-]C(NC2=[C-][CH-]2)C1.[U]"]
["112581747","CC1CCCC(Nc2c(N)cc(N)c(Cl)c2F)CC1"]
["98805254","Cc1ccc(NC2CCCC2)cc1NC1CCCC1"]
["111423995","CC(=O)c1cc(NC2CCSC2)ccc1N"]
["93675215","NC1CCC(Nc2cccc(Cl)c2[N+](=O)[O-])CC1"]
["155464311","NC1CCC(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1"]
["112768148","CSC1CCCC(Nc2cccc(Cl)c2C#N)C1"]
["174166937","NC1CCC(N[I-]I)CC1"]
["113430104","NC1CCC(Nc2nccc3ccc(O)cc23)CC1"]
["CSSS02277788925","N[C@H]1CC[C@H](Nc2cncc(-c3ccc(O)cc3)n2)CC1"]
["145140118","CC(C)(C)Nc1cc(NC2CCC(N)CC2)ncn1"]
["120517514","NCc1cnc(Cl)cc1NC1CCCCC1"]
["22004826","c1c(SSc2cn3c([nH+]2)CCC3)nc2n1CCC2"]
["21138912","CC(C)CN1CCN(c2[nH+]c(-c3ccccc3)nc3sc4c(c23)CCC4)CC1"]
["142556490","CCn1ncc2ccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)cc21"]
["89182269","N=C(N)c1cn2c(n1)CCCCC2"]
["177006619","CC(c1ccncc1)n1ncc2c3n(cc2c1=O)CCCC3"]
["194720787","O=C(c1cc(-c2ccccc2)on1)N1CCc2nc(-c3cccnc3)nn2CC1"]
["13941078","C[C@H](COCC(F)(F)F)NC(O)=[NH+]CCc1cn2c(n1)CCCC2"]
["147306939","c1c(CNC2CCCC2C2COCCN2)nc2n1CCCC2"]
["172627118","Brc1ccc2[nH]cc(-c3c[nH]cc3-c3cc4c5c(ccn5CCC4)c3)c2c1"]
["19610636","O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc(-n2cccn2)[nH+]c1"]
["144718994","OC1CCc2nc(CC3CCSCC3)cn2C1"]
["139263071","OC(=NC1CC1)c1ccccc1N=C(O)C1CCCn2ccnc21"]
["195718982","[CH2+][C@H]1C[C@@H](C(=O)C2CC2[CH-]C(=O)C2CC=C3c4cc5c(cc4CCC3C2)C(=O)[C-](I)CC5)N(P)C1.[CH3-].[U+2]"]
["MCULE-1270112066","N#Cc1cncc(-c2ccc3c(c2)CCN3C(=O)C2CCC(=O)O2)c1"]
["MCULE-4392449066","CC(C)N1CC(C(O)=NC2C=CS(=O)(=O)C2)CC1=O"]
["CNP0098465.1","NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H]2CC=CC[C@@H](C(=O)O)[C@@]34C[C@@H]5C=c6ccccc6=C[C@@H]5C[C@@H]3CCc3ccc(cc34)C[C@@H]2c2ccc(O)cc2)CC1"]
["126002492","O=C(Nc1ccc2c(c1)N=C(O)CC2)C(=O)N1CCCC(c2cc[nH]n2)C1"]
["MCULE-4439800183","CN(C)c1ncc(-c2cccc(C(=N)O)c2)c(C2CCN(C(=O)c3cccc(-c4cccc5c4C(=O)N(C4CCC(O)=NC4=O)C5=O)c3)CC2)n1"]
["1433529","C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3[C@H](O)C[C@@]21C"]
["148297430","O=C(O)[C@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@@H]1C1CC1"]
["160299054","COc1ccc2c(c1)CCCC2CN=C(O)[C@H]1C[C@H](O)CN1C(C)=O"]
["MCULE-4058301942","Cc1cc(NC(=O)C2CCN(C(=O)c3cccn(CC(C)C)c3=O)CC2)ccc1Br"]
["108537616","O=C(O)[C@H]1CCCC[C@H]1[C@@H]1NCCc2cccc(Cl)c21"]
["131623650","Cc1ccccc1-c1cc(NC(=O)C2CC2C2CC2)n(C)n1"]
["50246670","CC=c1c(C)c(C)c(=C=C=C2C(C)=C(C)[C-](C#CC3=C(C)C(C)=C=C(C)C3C)C(C)=C2C)c(C)c1C.[CH2-]C.[W+2]"]
["70005611","CC1=C=C(c2cc(C)c3ccccc3n2)C(C)C(C)=C1C.[CH2-]C(=O)C=C(C)O.[Ir]"]
["78099551","CC1=C=c2c(c(C)c(C)c3c(C)cc[c-]23)=C1C.[Li+]"]
["58942047","CC1=C=C(C)[C-](C)C(C)=C1C.[CH2-]C.[W+2]"]
["65874431","CC1=C=C(C)C(C)C(N2C(=O)C=CC2=O)=C1C.CC1=C=C(C)C(C)C(N2C(=O)[C-]=[C-]C2=O)=C1C.[Y]"]
["173834299","C/C=C1\\[C@@H](C)[C@@H](S(C)(C)c2ccccc2)[C@H](C)C[C@@]1(C#N)C1=C(C)NC(OC)C=C1"]
["50903391","CCOC1CC[CH-]CC1.CCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C3=C(C)C(C)=C=C(C)[C-]3C)c(C)c2C)c(C)c1C.[W+2]"]
["54848950","CC1=C=C2[C-](C(C)=C1C)C1[C-]3C(=C=C(C)C(C)=C3C)C2C(C)C1C.[Y].[Y]"]
["69644012","CC=C1NC(=CC)C(C)C(C)=C1C"]
["44858225","CCCC[Si](C1=C(C)C(C)=C(C)C1C)(c1ccccc1)c1ccccc1"]
["174268900","C/C=c1/cccc/c1=C/CC1=C(C)SC(C)N1.CC"]
["97565717","CC1=C(C)C(C)C([Si](C)(C)C2=CC(C/C=C/CC3=CCC([Si](C)(C)C4=C(C)C(C)=C(C)C4C)=C3)=CC2)=C1C"]
["173449675","CSC1[Te]c2ccccc2[Te]C1SC=C1SC2[Te]c3ccccc3[Te]C2S1"]
["26502794","O=CN(I)c1ccccc1"]
["153302492","C[N+]1=CC=N[C@@H]1/C=C/c1cccc2ccccc12"]
["92904356","CCCSc1ccccc1C(N)CC"]
["128882577","CSc1ccccc1N=C(O)CN(C)Cc1sc(C)nc1C"]
["MCULE-3455263964","CCSc1nnc(C2CCCC2)n1N=Cc1ccccc1O"]
["26760374","COCC(O)CNc1cccc2ccccc12"]
["84833769","CN(CCc1ccncc1)CC1Cc2ccccc2S1"]
["100003049","CCSc1ccccc1C(O)=NCC(O)c1cccs1"]
["128390987","CSc1nc(C(=O)OC2CCCc3nc(C)sc32)c2ccccn12"]
["95754735","CCSc1cccc(-n2cc(Cl)cn2)c1CN"]
["94069636","CCC(N)c1ccccc1SCc1cccc(C)c1"]
["97175642","C[N-][C@@H](O)C1=CC=[N+]=C[C+]1O"]
["106151014","CN1C(=O)COc2ccc([C@@H](O)[C@H]3CCCN3)cc21"]
["100986732","C=CC(C)(C)C(O)C1C=CC=C1Br"]
["101058869","CC(O)C1=C(c2ccccc2)CCCC1"]
["89434308","Cc1cc(F)c(CCC(O)C(C)O)cc1C"]
["163931821","O=C(c1ccccc1)[C@@H](O)[C@@H](O)C(=O)c1ccccc1"]
["45473623","C[C@H](O)C1=CC=C[C]1[C@H](C)N(C)C"]
["MCULE-3907832565","COc1nccc(-c2cccc(C(C)O)c2F)c1F"]
["112543087","CN=c1[nH]cc(F)c(=NCC(O)C(F)F)[nH]1"]
["162259744","CC1=NC=C(C(C)O)C(=CN)C1=O"]
["194177571","C[N-]c1ccc2c(c1)OC(F)(F)O2"]
["89447219","Cc1c(C(C)O)c2cc(C(=O)O)ccc2n1CCN"]
["195845817","C=[N+]([O-])C(O)CC(O)CC(CC#[O+])[N-][O-].[Os+]"]
["81511702","CC(C)CC(O)CC(O)CC(=O)[O-]"]
["175700147","O=[N+]([O-])C[C@H](O)C1(C(F)(F)F)CC1"]
["78258816","C=[N+]([O-])O.CCC"]
["78734820","CCC(O)C(CC(O)C(CC(C(O)CCCCCCCC#[O+])N([O])[O-])[N+](=O)[O-])[N+](=O)[O-]"]
["33516179","CCN(CC)/[N+]([O-])=[N+](\\[O-])C(C)CO"]
["172674098","O=C(O)C[C@H](O)C[C@H](O)C=C[N+](=O)[O-]"]
["174338831","C=C/C=C(\\C=C)C(O)CN.CC"]
["170659838","CC(O)CC(O)CC(O)CS(=O)(=O)O"]
["151995152","CC[C@H](O)CC#Cc1nc(C)n(C)c1[N+](=O)[O-]"]
["26966699","CC(CC#[O+])c1ccc(N([O])[O-])cc1"]
["93043782","C#CCC(O)CC(C)CC(C)(C)C"]
["75506358","CC1=[NH+]C=C[N+]1(C)[C-]1C=C([C+](N)[O-])C=C=C1C(F)(F)[F+]"]
["74804674","Cc1ccc(N[N+]2([O-])C=NC3=C(C2)N=C(c2cc([N-][C+]([O-])c4cccc(C(F)(F)F)c4)ccc2C)C[N+]3(C)C)c[nH+]1"]
["177028683","CC1=C=CC2=NC([NH-])NC2=C1.[Re]"]
["147834973","CC1=N[C@]2(C(=O)O1)[C@H](c1ccccc1)[C@H]2C(F)(F)F"]
["174351100","Cc1cc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)cc(C)c1N"]
["78827131","FC(F)(F)[C]1C(C(Cl)Cl)=C=CC(C(F)(F)F)=C1C(F)(F)F"]
["194663974","C=C1CC(C(F)(F)F)[N+](C)([O-])CN1c1cc(C)c(Cl)cc1F"]
["173129384","Cc1cc2c([nH]1)C=C(CCCN)CC2"]
["179797035","C[C+]([O-])[N-]C1C=C([B][OH+]C(C)(C)C(C)C)C=C=C2[C@H]1N2C.[U]"]
["145428748","COc1c(N)cc(OC(F)(F)F)nc1CF"]
["74716871","CN(CC(F)(F)[F+])C(=O)C1=C=CN[N+]1(C)C(=N)O"]
["170205466","CCCC1C=C(Cn2nc(C3=CN=C(CCC(F)(F)P)CN=C3)ccc2=O)C(C)=NC1"]
["148739539","NC(c1nncs1)C(Cc1nncs1)c1nncs1"]
["63565845","CC(N)c1nnc(COc2ccccc2)s1"]
["85831670","CNCC(Cc1ccc(Cl)cc1)Cc1nc(C)c(C)s1"]
["44209434","CC(CS)Cc1cncs1"]
["85828212","COCC(N)CCc1nccs1"]
["84602315","CCN(CC)CCC(N)Cc1ncc(C)c(OC)c1C"]
["156803509","N[C@@H](CC1CCOCC1)c1cnns1"]
["107519618","CC[C@H](N)[C@H](O)c1cncs1"]
["176337305","C[C@H](N)Cc1sc2c(N[C@H](C)c3cccs3)cnnc2c1Br"]
["95649134","NNC(Cc1cncs1)c1cc2cc(F)ccc2s1"]
["93443688","CC1(C)CNC(=NCc2cncs2)SC1"]
["162667048","NC(CC1=CCCC1)c1cscn1"]
["161520605","CC(C)C1=C2C(=NC3C=C1N=NS3)C2C(C)C"]
["76010497","CC(C)[n+]1ccn(C2=NC(n3cc[n+](C(C)C)c3)N(C(=O)[O-])C([O-])=N2)c1.Cl"]
["64773211","CC(C)c1nsc(N2Cc3ccccc3CC2CN)n1"]
["MCULE-1094289024","CC1=CC2C(=O)OC(C(C)C)=NC2C=C1"]
["101400515","CC1=C(C(C)C)C(c2ccccc2)=NC1"]
["57233483","CC(C)C1CN=CSC1"]
["171673820","CCOC(=O)[C@H]1[C@H](c2cnc(C(C)C)nc2)C1(C)C"]
["137375041","COc1cc(OC)c(OC)cc1NC(C)c1ncc(Br)s1"]
["2227886","CC[C@H](C)[C@@H]1N=C(O)[C@@H](C(C)C)N=C(O)[C@@H]2CSSC[C@H](N=C(O)[C@@H]([C@@H](C)CC)N=C1O)C(O)=N2"]
["61246395","C[C@H]1CCc2c(sc3nc([C@H](C)OC(=O)[C@H]4CC=CCC4)nc(O)c23)C1"]
["169914277","CC(C)C1=N[C@@H](C)CCN1C"]
["55801076","CC(C)C1N=C(O)C(C)(C)C1=O"]
["167569597","C=CS(C)(C)CC1C=CC2C3C=CC(C3CS(C)(C)C=C)C12"]
["184467498","C=c1[nH]ccc1=CC(C)=CN"]
["195872681","C=CC(CC)N1C(C)C(CC(C)(C)CC)[C@@H](C)C1CC"]
["75419817","CS1=CC=C(C(C=O)=CS(C)(=O)=O)C(N)=C1"]
["32366622","C=C[C@H]1C=C[C@H]2[C@H]3[C@@H](CC[C@@H](C)[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2[C@H]1C(=O)OC"]
["179443502","C=CCC1C2CCC(CC)C12"]
["57555570","COCC1C2C=CC(C1C(C)=O)C(C(C)=O)C2C(C)=O"]
["193455719","CCCCCC1C=CC(CCC)C(C)C1CC"]
["82640792","C=CCC1(N)C=CC=CC1CC"]
["97531512","C=CO[C@@H]1C=C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]21"]
["158043520","C=CS(=O)(=O)N1CCC[C@@H](CC)CC1"]
["MCULE-3250727708","Cc1ccc(C(C2CC2)n2nc(C(F)F)c(C=NO)c2Cl)c(F)c1F"]
["98390383","C1=CN(C2CC=NC3C=NCCC32)C2=C(C1)CC=NC2"]
["187991289","CN1N=CC[C@H]2C1CC=C(F)N2C"]
["MCULE-2340351754","Cc1cc(F)cc(F)c1Cn1nc(C2CC2)c(C2(C)CC2)c1I"]
["48562670","Cc1ccc(S(=O)(=O)N2CCCC(C(O)=Nc3nc(C)c(C)s3)C2)s1"]
["171346275","C1=C2C/C=C\\CC(C1)CC2"]
["MCULE-4086418951","Cc1cncc(F)c1-n1nc(C2CC2)c(C2CCC2)c1I"]
["52195222","CC1(C)CC1n1c(CCCl)nc2cc(I)c(F)cc21"]
["175931804","CSc1nc(N2CCC(C(=O)N3OCC[C@H]3C3=CC(=O)CN=C3)CC2)ncc1F"]
["98630719","CC1C2CC=NCCC12"]
["99047567","Cc1ccc2c(c1N)CC=NC2"]
["195009512","C1=C2CCCN3CN4CCCC[C@@H]4[C@]4(C[C@H]1[C@H]1CCCCN1C4)[C@@H]23"]
["145652655","CN(C)C(=O)OC1=CCCC=C1CN1C=CCC(C2N=CC(C)(C)O2)=C1"]
["179090261","C=C=Ic1cc2c(s1)-c1sc(C=C)cc1S2=O"]
["142437781","C=CCn1nnnc1SCc1ccsc1C(=O)OC"]
["47014323","C=CCn1cnc(-c2cccc([N+](=O)[O-])c2)n1"]
["195155642","Cc1ccc2c(c1)S(=O)N(C)c1ccsc1C2=O"]
["174545936","Nc1sc(Br)cc1OC=O"]
["149607194","CC(Cl)=CC=C(C)c1ncc(C=O)s1"]
["175005455","C=Cc1cccc(CC#N)c1CC#N"]
["162634405","O=Cc1cc2cc(O)cc(Cl)c2s1"]
["163216403","C=C[C@](N)(C(=O)O)c1cc(Cl)cc(Br)c1"]
["174764667","C=C=C(CC1CCN(C(=O)C(=C=C)c2ccc(-c3ccco3)c(C=C)c2)[C@H](C)C1)c1ccccc1.CC"]
["101309413","C=C=C1[CH]C=CC(C=C)=C1"]
["165637617","CC(=O)c1ccc(C#N)c(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1"]
["24098826","[CH]1SN=NC1c1cc(C2C=[S+]N=N2)cc(C2C=S=N[N-]2)c1"]
["160466687","O=S(=O)(c1cnc2ccccc2c1)N1CCCC(c2ncc3n2CCCC3)C1"]
["198007312","CC(N)c1ccc(CNS(=O)(=O)c2cc3nc(Cl)ccc3s2)cc1"]
["148418691","Cc1nc2scc(C3CC3)n2c1CNCc1ccc(C(=O)O)cc1"]
["66746296","CC(C)(C)c1cc2c(cn1)CCC1CCC3(CC3)C21"]
["163235051","Cc1nc(-c2cc(C=O)no2)oc1C"]
["154331621","[CH]1SN=N[C@H]1c1cc([C@@H]2C=[S+]N=N2)cc([C@@H]2C=S=NN2)c1"]
["197544406","Nc1cc2nnn(C3CCSCC3)c2cc1F"]
["89333729","CNCc1ccc(C2CSC2)cc1"]
["179428414","Cc1cc(C)c(/C=C2/C3=C(CCCC3)NC2C)[nH]1"]
["95155746","CC(Cl)c1nc(Cl)cc(C2CCCC2)n1"]
["165167834","Cn1c(N2CCSCC2)nc2cccnc21"]
["149761580","COCC=NP1(NCCOC)=NP(=[N+]=CCOC)(NCCOC)NP(NCCOC)([NH+]=CCOC)=N1"]
["86948289","COCCNC(c1ccc(Br)c(F)c1)c1nc(C)cs1"]
["131039677","COCCCN(Cc1ccncc1)C(O)=Nc1ccc(C#N)c(C(F)(F)F)c1"]
["77204166","CCn1nccc1NC(=O)N(CCOC)Cc1ccccc1OC"]
["MCULE-1291858590","COCCNC(S)=NCCN=C(O)C=Cc1ccc(Cl)cc1Cl"]
["120400157","CCN=C(O)CS(=O)(=O)C(C)CNCCCOC"]
["95189257","CN=c1[nH]ccc(C(=O)N(CCOC)C2CC2)c1F"]
["95693147","C=CC(C)(CNCCOC)Cc1c(Cl)cccc1Cl"]
["145791127","COc1ccc(COCCCNCc2ncc[nH]2)cc1"]
["116100440","COc1ccc(CCNC(=O)c2cc(=Nc3ccc(F)c(Cl)c3)cc[nH]2)cc1"]
["112580146","CCNc1cnccc1C(=O)NCCCOCCOC"]
["9455641","COCCOCCCNS(=O)(=O)/C=C/c1ccccc1Cl"]
["193498326","C[Si](C)(C)C#CC#CC(=O)C1=C(C#C[Si](C)(C)C)CCCC1.C[Si](C)(C)c1c2c(c3c(c1[Si](C)(C)C)C1OC3C3C4C5OC(c6c5c5c(c([Si](C)(C)C)c6[Si](C)(C)C)C6=C(CCCC6)C5=O)C4C13)C(=O)C1=C2CCCC1"]
["157698229","CC[C@@H]1OCCC[C@@H]1C(=O)N=c1cc(C)n(CCC#N)[nH]1"]
["30227634","COc1cccc(OCC2CCCCC2)c1-c1ccc(C[C@H](N=C(O)C2(C)CCCO2)C(=O)O)cc1"]
["6399493","CC(C)[C@@H](C)NC(=O)C(O)=Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1"]
["191210309","C=C1CCC(N2Cc3cc(O[C@@H]4CCCC[C@@H]4NCC4CCOC(C)(C)C4)ccc3C2=O)C(O)=N1"]
["158521256","Cn1cc2c(n1)CCC[C@H]2C(=O)N1C[C@@H](F)C[C@H]1CO"]
["167235498","C[C@H]1O[C@@H](C(C)(C)C)OC(=O)/C1=C/C#C[Si](C)(C)C"]
["109361294","C[C@H]1[C@@H](C)CCC[C@@H]1N1C(=O)C2=C(CCCC2)[C@H]1Nc1ccc(C#N)cc1"]
["10322192","N#C[C@H](C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2o1"]
["13142571","Cc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(Cl)cc3)nc3c2CCCC3)o1"]
["169673126","C[Si](C)(C)C#Cc1ccccc1COC(=O)Cl"]
["MCULE-7514806060","CC1c2ccc(C#N)n2CCN1C(=O)CCc1cncnc1"]
["55203866","COCCOCCOCC[N+]1(C)CC2c3cc4c5c6c7c8c(ccc9cc%10c%11c%12c(cc(c%13c3c5c(c%13%12)c7[c+]%11c98)C2C1COCCOCCOC)C%10)=C=C6C4"]
["171074519","CCOc1c(COCCOC)cccc1C(=N)O"]
["94312225","COCCOCCOCCN1CCCc2ccc(N)cc21"]
["3140529","CCOc1ccc2c(c1)CN(C(=O)CCCOCCOC)CC2"]
["88750687","CCCC1NC(CC(C)C)N(CCOCCOC)C1=O"]
["84611105","COCCOCCn1ccc(C(O)C(C)C)c1"]
["92625921","CCCN(CCOCCOCCOC)c1ccccc1N"]
["114943474","COCCOCCOCCOC1CC(Cl)C1OCCOC"]
["80886179","COCCOCCCC(=O)N1c2ccccc2CCC1C(=O)Nc1ccc(C)cc1"]
["135202818","COCCOCCC(=O)N1CCC(Oc2ccc(F)cc2)CC1"]
["96308981","COCCOCCOCCN[C@@H](C)c1ccc(C)cc1"]
["67643844","COCCOCCNc1cc(OC)c(OC)c(OC)c1"]
["153970543","CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1cc(CCCO)c(O)c(c1)OCCC#C[C@@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@H](CO)O5)-c1ccc(O)c2c1[C@@H](C4)[C@@H](c1ccc3c(c1)=CC=[N+]=3)C(CNC)=C2"]
["26243596","CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)C(C(=O)O)[C@@H]1CCN1CCC(=O)N(C)C1=O"]
["194832998","C[C@H](CCc1ccccc1)CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2"]
["55598891","C=CCCOC(=O)N(CCOCCO)[C@H]1CC(=NOC)C2=C[C@H](CCCCO)[C@@H](CCCCO)[C@@H]3c4cc(Oc5ccc(C)c(C)c5)ccc4O[C@@]1(OCC=C)[C@H]23"]
["194861297","CNCC1=C[C@@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)c2cc(OC)c(O)cc21"]
["186689395","Cc1nc(-c2c(O)cc3c(c2O)CCC3(C)C)[nH]c(=N)c1C(O)=N[C@@H](C)C(=O)N(C)[C@@H]1C(O)=N[C@@H](C)C(O)=N[C@H](C(=O)O)Cc2ccc(OCCCN)c(c2)-c2cc1cc(OC[C@H](O)CN)c2O"]
["45084532","C[C@@H]1CCc2c(sc3nc([C@@H](C)N[C@@H]4CCOc5ccccc54)nc(O)c23)C1"]
["168932613","CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc2c(c1)OCCC(CO)O2"]
["SN0465476-09","CC(C)CC(=O)O[C@@H]1C=CC=CC(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4O[C@]5(c6ccccc6)O[C@@H]([C@@H](C)[C@@]23O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C"]
["SN0354362-02","C=C1/C=C/C=C(/C2CC3CCCC4(O)CC/C(=C(/C)C(=O)Cc5cccc6c5CC(O)=NC6N)C(CCCO)C34C2O)COCC#CC/C(C)=C/CC1NCC"]
["153610764","CNCC(CNC)Oc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(=N)[nH]c5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O"]
["28281167","CCc1cccc(-c2c(Cl)cccc2[C@](O)(CCCCOC)[C@H]2CN(C(=O)[C@@H]3CC[C@H](NCCO)C3)CCO2)c1"]
["170926991","[2H]C1=C=C2[C-]3C(=[B+])C([2H])=CC=C3OC2C(Cl)=C1"]
["112187981","CC(C)C1CC(Nc2cc(F)cc(Cl)c2)CCO1"]
["4952836","O=C1N=CN=C2c3cc(Cl)ccc3O[C@H]12"]
["5533247","Fc1cccc([C@@H]2C3=C(N=C4N=NNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)c1"]
["182184416","Clc1ccc(C2=CC=COC2c2ccccc2)nn1"]
["42143533","O=C1O[C@@H](c2ccc(Cl)cc2)c2c(Cl)cccc21"]
["60375783","[B+]=C1C=C=C(Cl)C(=C2C(O)=NC3(CCOCC3)[C-]2O)C1Cl"]
["171736811","[B+]=C1C2=C3C=CC=N[C-]3OC2=C=CC1Cl"]
["25497173","NC1=CC=C=C(F)[C]1Cl"]
["183507753","ClC1=CC=CON1Cl"]
["149728959","C1=CC=CC=C2OC(c3ccccc3)CCC=12"]
["153453147","CN1C2=C([C@H](c3ccc(Br)cc3)Oc3c(Cl)cccc32)[C@@H](c2ccc(Br)cc2)n2ncnc21"]
["175719676","[2H]C1([2H])N=C(O)c2c(Cl)c(B(O)O)nn2C1([2H])[2H]"]
["138213787","C=CCN(C)C(=O)Cn1nc(C)c(Cl)c1C"]
["83059912","COc1cccc(CN2NCC(O)=NC2=O)c1Cl"]
["165733255","[2H]c1nc(Cl)c([2H])c(B(O)O)c1[2H]"]
["MCULE-5040651691","Cc1cnc(O)cc1-n1nc(C)c(Cl)c1O"]
["85219421","Cc1ccc(=O)n(Cc2cc(F)cc(B(O)O)c2)n1"]
["155062138","C[C@H]1Cn2nc(CO)cc2CN1C(=O)CCl"]
["80926134","Oc1c(Cl)c(Cl)c(O)c2c1C1CCCCCCC21"]
["168522018","Oc1ccccc1-c1nc2n(n1)CC(O)CC2"]
["MCULE-9238312479","Cc1c(O)cccc1Cn1nc(C2CCC2)cc1CBr"]
["22853711","Clc1ccccc1CN1CCC(n2cnc3cccnc32)CC1"]
["MCULE-5090815248","COc1ccc(O)c(-n2nc(C3CCC3)c(Cl)c2C(F)F)c1"]
["73545705","[NH-]C1=C2C=CC=C[C-]2[N+](Cc2ccc[oH+]2)=C2CCCC=C12"]
["138455788","Cc1ccnc2c1N=C(O)CN2C(=O)CC1=CCCCC1"]
["43329878","OC(CNc1c(Br)cc(Br)cc1Br)=NNC1=CCCCC1"]
["170607454","N#C[C@@H](CC1=CCCCC1=O)c1ccccc1[N+](=O)[O-]"]
["111809620","O=C(C1=CCCC1)c1ccccc1C1CCC1"]
["184870972","CC(=O)Cc1cccc2c1C=CCC2"]
["113550568","NC(Cc1ccc2ccccc2c1)C1=CCCCC1"]
["77182236","Clc1c(C2=CCCC2)n[nH]c2nnc(-c3ccccc3)c1-2"]
["85089941","O=C1CCCC1CCS(=O)(=O)c1ccccc1Br"]
["44647989","CCN(C(=O)CSc1ccccc1N)C1=CCCC1"]
["65845452","CC(C)(C1=CCCC1)C1=C2C=CCC=C2c2ccccc21"]
["176316958","O=C1CCCC(=O)c2c1coc2CNCc1ccco1"]
["48317212","S=c1cc(S)sc2c1c(=S)sc1c3c(=S)n4ccccc4nc3sc(=S)c21"]
["46467035","COc1ccc(N=C(O)CCc2ccsc2)cc1OCc1cn2ccccc2n1"]
["103110652","N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(O)=NCc1ccco1"]
["17786663","CCOc1ccc(NC(O)=N[C@@H](CCSC)c2nnc3ccccn23)c(C)c1"]
["144224758","Cc1nc2ccccn2c1C(O)=NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12"]
["MCULE-5481997683","CSc1ncc(-c2c(F)cccc2N=C(O)c2cnc3ccccn3c2=O)cn1"]
["6767507","CC(C)=C[C@@H]1[C@H](C(O)=NCCc2nnc3ccccn23)C1(C)C"]
["128908945","O=c1n(CC(O)=Nc2ccc(O)c(Cl)c2)nc2ccccn12"]
["140348451","O=C(CC1CCN(c2cc(=O)n3ccccc3n2)CC1)N1CCCC1"]
["156763088","C[C@H](C(O)=NC1CCCC1)N1CCN(Cc2cnc3ccccn23)CC1"]
["65269853","CCCN1C(=O)/C(=C\\c2c(N3CC(C)OC(C)C3)nc3ccccn3c2=O)SC1=S"]
["51129662","CNS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)n(C)c1"]
["166776315","CC1CNC(C2CC23OC(C2CC4(C2)OCCNC4C)CNC3C)C2(CC2)O1"]
["94672398","CCC1CN(CC2CCC(C)(C)O2)C(C2CC2)CN1"]
["179816423","C[C@@H]1NCC[C@]1(C)CO"]
["162408645","FC(F)(F)C1CC2(CCN2)CCO1"]
["159152789","C[C@@H]1OCCN[C@H]1[C@@H](O)C(C)(C)C"]
["150787605","c1ccc(COC[C@H]2CCC[C@@]23CNCCO3)nc1"]
["160707210","Cc1nc(-c2ccc(S(=O)(=O)N3CC4(CCCO4)C3C3CC3)s2)cs1"]
["197233818","Fc1cccc(F)c1CC1NCCOC12CNC2"]
["162281179","CC1CCC(O)C2(C)CCC1O2"]
["92927970","CC1(C)CC(OCC2CNCCO2)C(C)(C)O1"]
["88546196","CC1CNC(C2CC2)CN1C1CCOC(C)(C)C1"]
["107784341","Cc1ccc([C@@]2(C)CO[C@@H](C)CN2)c(C)c1"]
["180951925","CC(CCC(C)(C)c1n[n-]c(C(C)(C)C)n1)c1nc(C(C)(C)C)n[n-]1.[Re].[Re]"]
["122190611","Cc1nc(C(C)(C)C)nc(O)c1C(O)=NC(C)Cc1ccccc1C(F)(F)F"]
["62166956","CC(C)CNC(O)=NCCc1nc(C(C)(C)C)cs1"]
["161455307","C[C@@H](O)CN=C(O)NCc1nc(C(F)(F)F)n[nH]1"]
["132422262","Cc1cc(S(=O)(=O)NC(C)c2nc(C(C)(C)C)no2)ccc1F"]
["87474496","CC(CO)(CO)N=c1cncc(Cl)[nH]1"]
["3522822","CCOC(=O)Cn1nc(-c2nc(C(C)(C)C)no2)ccc1=O"]
["123059328","CCC(CC(O)=NC1CCc2nc(C)nn2C1)C(C)C"]
["184176108","Cc1nc(C(C)(C)CC(C)c2ccc(C(C)C)s2)sc1C(C)C"]
["133749738","CC(N=C(O)C1CC1(Cl)Cl)c1nc(C(C)(C)C)no1"]
["135931374","CCOc1ccc(CC(O)=NC(C)c2nc(C(C)(C)C)no2)cc1"]
["174523932","CCC(CC)C(C)(C)CC(C)(C)c1nc(C(C)(C)CC(C)(C)CC)no1"]
["179545216","[CH2+]CC(CC)OC1=[C+]C[C-]=C2[N-]S([O-])([O-])[NH2+]C([NH3+])=C12.[U+2]"]
["91959485","CCC(CC)Oc1cc(Br)ccc1F"]
["82292900","CCC(CC)OC1C=CCC(N)C1S(C)(=O)=O"]
["174348899","CCCOC1C(C(=O)O)=[N+]=CC(OC(CC)CC)=C1C=O"]
["173567009","C#Cc1ccc(O[C@H](CC)CCC)cc1Cl"]
["171570074","C=C(C)C(=O)OC(CC)COc1c2c(c(OCC(CC)OC(=O)C(=C)C)c3ccccc13)C1CC2CC1C"]
["197953024","CCC(COc1ncc(C(F)(F)F)cn1)OC"]
["175082456","CCC(CO)On1cc[n+](C)c1.F[B-](F)(F)F"]
["187685619","CC=C=C(/N=C\\CC)OC(CC)CC"]
["173223578","C/C=C\\C(CC)Oc1ccc(CCC2=CC=C(CN=O)CC2)cc1"]
["54709339","CC#CC(CC)Oc1ccc(S(=O)(=O)N2CCN(C(=O)O)C(C)C2C(=O)O)cc1"]
["116543297","CCC(CNC(=NC)NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Oc1ccccc1.I"]
["173390464","O=C(O)/C(Cc1cc(I)cc(I)c1O)=C(\\Cc1cc(I)cc(I)c1O)C(=O)O.O=C(O)CC(Cc1cc(Br)cc(Br)c1O)(Cc1cc(Br)cc(Br)c1O)C(=O)O"]
["128498778","COc1ccc([N+](=O)[O-])cc1CN=C(O)Cc1ccc(Br)c(F)c1"]
["75868784","CCC(C)COc1ccc(Br)cc1Cn1nc(CCC(=O)O)cc1C"]
["103025385","N[C@](I)(Cc1c(I)cc(Oc2ccc(O)cc2)cc1I)C(=O)O"]
["151103895","CCOC(=O)C1=C(C)N=c2s/c(=C\\c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC"]
["68783874","COc1ccc2c(CCC(C)(CC(=O)O)C(=O)O)ccc(OC)c2c1"]
["94680936","CCC(C(=O)O)S(=O)Cc1cc(Br)ccc1OC"]
["128411738","CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1"]
["53490950","O=C(O)CC1CNC(=NCc2cc(=O)n3[nH]c(C4(c5ccccc5Cl)CCC4)cc3n2)N1"]
["55702253","Cc1cc(C(O)c2cccc(Cl)c2F)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C"]
["128526909","CN(C(=O)Cc1cc(Br)ccc1F)c1cc(F)ccc1F"]
["145062580","COc1c(CC(=O)O)cc(Br)cc1C(F)(F)F"]
["190272387","C/C=C/n1nnn(COS(=O)(=O)OCC[N+]2=NN=[N+](/C=C/C)C2=O)c1=O"]
["160389665","COC(=O)C(C)(C)c1ccc(CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1.COC(=O)C(C)(C)c1ccc(CCOS(C)(=O)=O)cc1"]
["34452293","CS(=O)(=O)OCCCCOS1(=O)(O)CCCC1"]
["108798898","C/C=C\\C(=O)Nc1ccc(-n2nnn(CC(=N)O)c2=O)cc1"]
["30055115","CC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccccc2C)c1C(F)(F)F"]
["31497749","CC=Cn1cc(-c2ccc(OC)c(F)c2)c(-c2ccc(S(N)(=O)=O)cc2)n1"]
["MCULE-3101363326","CCCOc1c(COS(C)(=O)=O)c(C)nn1CC(C)C"]
["155830030","CCCCCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2Cl)c2ccccc21"]
["29631889","COc1ccc2c(n1)n(C1CCN(CCCn3nc(-c4ccc(Br)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C"]
["26024617","CSc1c(COS(C)(=O)=O)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]"]
["169639465","C=Cc1c(-c2cc(NS(C)(=O)=O)nnc2OCC2CC2)cn(C)c(=O)c1/C=C\\C"]
["144574920","COCCn1nnn(/C=C(\\C)C(=O)O)c1=O"]
["191479731","COOSN1CCC(C2c3ccc(Cl)cc3C(N3CCNCC3)=Cc3cccnc32)CC1.COOSN1CCC(C2c3ccc(Cl)cc3C=C(Br)c3cccnc32)CC1.C[O+]=[O+]SN1CCC(C2C3=C(C=C=C[N-]3)C(N3CCNCC3)=Cc3cc(Cl)ccc32)CC1"]
["8836139","N=c1nc(N2CCC([C@@H]3C=C(c4ccc(Cl)cc4)N=N3)CC2)cc(Cl)[nH]1"]
["148153260","Cl.Cl.O=C(c1cc(Cl)cc2cccnc12)N1CCC(N2CCNCC2)C1"]
["186429168","Clc1cccc(-c2nnc(N3CCC(c4ccccn4)CC3)o2)c1"]
["102491491","Cc1cc([C@H]2[C@@H](c3ccccn3)N=C(S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1Br"]
["171391827","COc1cc(C(=O)O)ccc1N1CN2[C@@H](CC(C)(C)C)[C@@]3(CNc4cc(Cl)ccc43)[C@@H](c3cccc(Cl)c3)[C@@H]2C1=O"]
["139448401","COCCCN(CCOC)C(O)=NC1CCCOc2cc(Cl)ccc21"]
["30751388","O=C1Nc2ccc(Cl)cc2C1=Cc1ccc(N2CCNCC2)cc1"]
["147788114","COC1CCC(C(=O)N2Cc3cccnc3N(OC3CCC(C(=O)N4Cc5cccnc5Nc5ccc(N6CC(C#N)C6)cc54)CC3)c3ccc(N4CC5(CC(OC(C)C)C5)C4)cc32)CC1"]
["30930237","COC(=O)C1CCN(c2ncccc2N=C(O)c2[nH]c3cc(Cl)cc4c3c2-c2c(-c3ccccc3)ncn2[C@@H]4c2ccc(Cl)cc2)CC1"]
["83302848","Cc1ccnc2c1N=C(O)c1cccnc1N2C1CC1.OC1=Nc2ccc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)O1"]
["173491616","CCO/C=C\\C1=Cc2cc(Cl)ccc2C(C2CCN(C(=O)OC(C)(C)C)CC2)c2c1ccc[n+]2C"]
["192681491","COc1ccc(N(c2ccc(C#CC3=[S+]C(=c4sc(=c5cc6c(s5)=C5SC=CN5[B-]6(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4C)C=C3C)cc2)c2ccc(OC)cc2)cc1.COc1ccc(N(c2ccc(C#Cc3sc(-c4sc(B5OC(C)(C)C(C)(C)O5)cc4C)cc3C)cc2)c2ccc(OC)cc2)cc1.Cc1cc(C)c([B-]2(c3c(C)cc(C)cc3C)C3=CC(=[I+])SC3=C3SC=CN32)c(C)c1"]
["49746141","COc1ccc(N(c2ccc(C)cc2)c2c(N(c3ccc(C)cc3)c3ccc(OC)cc3)c3cc(C)c(C)cc3c3ccccc23)cc1"]
["171056178","[C-]#[N+]C(C#N)=C1c2cc(=C3C=CC(c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)S3)ccc2=c2ccc(=c3ccc(=C4C=C[C-]([N+](=C5C=C=C(OCCCCCC)C=C5)c5ccc(OCCCCCC)cc5)C=C4)s3)cc21"]
["187066268","CCCCCCCCCCc1cc(-c2cc(C)cc(-n3c4ccccc4c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)c2)c(CCCCCCCCCC)cc1C"]
["MCULE-2519968197","CCCCCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2c(C)cc(C)cc2C)C1=O"]
["171729905","C[CH-]CCn1c2cc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)ccc2c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21.[Cs+]"]
["179799158","COc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N)ccc2-3)cc1"]
["48224651","CCS(=O)(=O)N1CC2(CN(Cc3cc(F)ccc3F)[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1"]
["104921406","CC[C@H](Sc1nnc2cc(C)c3cc(C)cc(C)c3n12)C(O)=Nc1nc(-c2ccc(OC)cc2)cs1"]
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["174148294","CC(C)(C)c1ccc(-c2cccc(N3c4cc(-c5ccc(C(C)(C)C)cc5)ccc4B4c5cc6c(cc5N(c5ccc7c(c5)OCCO7)c5cc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccc8cc(C9=Cc%10ccccc%10C9)ccc8c7)cc3c54)OCCO6)c2)cc1"]
["171933385","CCN(c1cnc2cncnc2n1)[Si](CC)(CC)CC"]
["9614041","COc1cc(N(C)Cc2cnc3ccccc3n2)ncn1"]
["134139884","CCC(O)CN(Cc1nc2ccccc2o1)c1ccccc1"]
["69025806","CCN(CC(O)=Nc1c(F)cccc1F)c1cnc2ccccc2n1"]
["42805614","CCN(CC)c1ncc(Br)cc1CNC1CC1"]
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["78764036","CCN(CC)C1CCC(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@H]6CC[C@@H](N(CC)CC)CC6)[nH]5)cc4)cc3)[nH]2)CC1"]
["53028438","CCC(C)N(CC)c1cncc(CNC2CC2)n1"]
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["2945972","CCC[C@@H](C#N)N=C(O)CN(C)c1ccc(C#N)cn1"]
["86439268","CCN(Cc1ccccn1)c1nc(C)nc(NN)c1C"]
["57289246","CCn1cncc1CNC1CCC(C)(C)CC1"]
["195700027","Oc1ccc(O)c2c(C3C4C=CCCC43)c3c(O)ccc(O)c3c(-c3cccc4oc5c(c34)CCC3=C5C=CC4CC34)c12"]
["90489016","Cl.OC1=C2OC3(Cc4ccccc4Cl)c4[nH]c5ccccc5c4CC4(c5cccc(OCCl)c5)C5CC(C=C1)C2C34CCN5C1CC1"]
["103976706","Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O"]
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["198806209","O=C1N=C(O)CCC1N1Cc2c(CNC3CC4(CCN4)C3)cccc2C1=O"]
["144765251","NOCC1CS(=O)(=O)c2cccc(O)c21"]
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["155655685","CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccccc13)CC2=O"]
["186674073","Cl.NCCOCC#Cc1cccc2c1C(=O)N(C1CCC(O)=NC1=O)C2=O"]
["109028511","O=C1[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12"]
["60888992","O=C(Cc1nnc(O)c2ccccc12)OCC(O)=N[C@@H]1CCS(=O)(=O)C1"]
["32900672","CC(=O)Oc1c(C2C=CCC2)c2ccccc2oc1=O"]
["74743320","N#CCCC1=CC2=CC(Cl)=CCC23C=[N+]([O-])C=CC3=C1"]
["163075208","N#CCCc1c(Br)cccc1N1CCCC1"]
["143603538","N#CCCNS(=O)(=O)c1ccc(C(=O)OCC2CC=CCC2)cc1"]
["179700488","C=NCCC1=CCC(OC)C(O)=C1"]
["120792076","N#CCCC(F)(F)c1ccc(-c2ccccc2)cc1"]
["181871328","CCOC(=O)C1(C=C2CCCN2C(C)C)C=CC(Cl)=CC1"]
["172879800","CC(C#N)CCC1=CC[C@@H]2C[C@@H]1C2(C)C"]
["176776674","CC(C)(C)OCc1ccc2c(c1)C(C)(C)C/C=C(CC#N)\\C=C/N2"]
["163353981","N#CCCc1cc2cc(O)ccc2[nH]1"]
["MCULE-1939263947","N#CCCN1CCN(C(=O)c2cccc(Cl)c2F)CC1"]
["183058856","N#CCCc1cccc(N=[N+]=[N-])c1[N+](=O)[O-]"]
["25842135","N#CCCC1=C=CC=C(Cl)[CH]1"]
["53050040","C[C+]1C=CC2=C(C=CC3=CC=CC[C+]32)C1"]
["184434023","C/C1=C/C=C\\C(N)=C\\N=CC1"]
["26948984","BrC(Br)(Br)C(Br)(Br)OC1=CC=CC1"]
["79671739","O=C(Cl)C1=CC=CC/C1=C/Br"]
["179036866","CC(C)OC1CC=CC=C1[NH3+]"]
["97609767","C1=CCC([Se][Se]C2=CC=CC2)=C1"]
["166401967","CC1(C)CCC(C)(C)c2cc(CSCC3=CC=CC3)c(/C=C/c3ccc(C(=O)O)cc3)cc21"]
["99225495","O=C(S)C1=CC=CCC1=S"]
["176407938","CCC.FN1CC=CC=C1c1ccccc1"]
["180684653","CC1(CS)CC=CC=C1CS"]
["79307595","C[C](C1=CC=CC1)C1=CC=CC1.[Zr]"]
["161735506","CC1=C2CC3=CC=CC3=CC=C2N=C1"]
["47504671","C1=Nc2c(ccc3c4c(ccc23)=C(NNc2ccccc2)C=N4)=C1"]
["61619868","Nc1cnn(Nc2ccccc2)c1N"]
["56905414","Clc1ccc(-c2nc(-c3ccc(Nc4nc(-c5ccccc5)cs4)cc3)cs2)cc1"]
["75227126","c1ccc2nc3cccc(CNCCCNCc4cccc5nc6ccccc6cc45)c3cc2c1"]
["76758357","OC(=Nc1ccccc1)Nc1ccc2ncnc(Nc3ccccc3)c2c1"]
["166816976","N=c1cc(SC/C=C/Nc2ccccc2)c2nn[nH]c2[nH]1"]
["49096189","Cc1ccc(Nc2ncnc(NNc3ccccc3)c2[N+](=O)[O-])nc1"]
["145519085","CC1(Nc2ccccc2)c2ccccc2-c2ccccc21"]
["198004814","Cc1sc(C(C)N)nc1C(O)=Nc1ccc(Nc2ccccc2)cn1"]
["177828596","c1ccc(N[C@H](Cc2ccco2)c2ccccc2)cc1"]
["200411209","Cn1ccc(-c2cccc(CNNc3ccccc3)c2)n1"]
["66964825","N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(N)=C(C#N)C#N"]
["178746883","C=S(C)OCCc1c(C)n(CCCOCCC2=C(C)N(C)I=C2C)[n+](C)c1C"]
["182116377","CCOCCC[n+]1ccn(CC#N)c1C"]
["96112742","COCCOCCCCn1c(=N)[nH]c2cc(C)cnc21"]
["199702902","COCCOCCCN1CC(CS(=O)(=O)F)CC1=O"]
["65532037","COC[C@@H](C)N=c1[nH]c(-c2cc(C)n(C)c2C)cs1"]
["119980910","COCCOCCCN1CC(O)CC1CN(C)C"]
["95068423","CCCOCCCNS(=O)(=O)c1c(C)n(C)[nH]c1=N"]
["13687346","Cc1[nH+]n(C)c(Cl)c1CN(C)CC1CCCCC1"]
["199145376","CC(C)(Br)C(=O)OCCOCCCc1ccc(CCS(=O)c2ccccc2)cc1"]
["88449845","CCCOCCCn1c(=N)[nH]c2cc(I)ccc21"]
["169875198","CCCOCCCCc1c(C)cc(C)cc1C"]
["165572807","CCCCc1c(C)nc2nc(Sc3cccc(C#N)n3)nn2c1C"]
["190052503","CC1CCN(CC[S-])CC1.[CH2-]CC(CC)N1CCN(N2CCC([NH-])CC2)CC1.[Zn]"]
["11936664","CC1CCN([C@H](C)C[NH+]=C2NS(=O)(=O)c3ccccc32)CC1"]
["56641307","CCCCCCCCCCN1CCN(C(C)C(=N)S)CC1"]
["113615961","CCC(CN)N1CCN(CCS(=O)(=O)C(C)C)CC1"]
["135043525","CC1CCN(CCNC2CCCCC2n2cccn2)CC1"]
["129239997","CCN(CC)CCCN1CCC(N=C(O)c2ccccc2)CC1"]
["6415838","CC1CCN(C[C@@H](O)CN2C(=O)[C@](C)(c3ccc([N+](=O)[O-])cc3)[NH+]=C2O)CC1"]
["24352712","CC1CCN(CC(O)COc2ccccc2-c2ccccc2)CC1.Cl"]
["44688456","CCCN1CCC[C@@H]1C(O)=NC1CCC(C)CC1"]
["55160689","Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CCN=C(O)C1CCN(CC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CC1"]
["92837339","CC[C@H](O)c1ccccc1N1CCC(C)CC1C"]
["127905671","Cc1cc(N(C)C)cc(C)c1NC(O)=NCCCN1CCC(C)CC1"]
["70565227","C=CCNC1NNC2=C(S1)C(=O)C(Cl)C(Cl)C2=O"]
["106297244","C=CCNC(=O)c1cc2c(s1)CC[C@H](C)C2"]
["91519715","C=CCn1nc(C)c2c1CC(C)CC2=O"]
["94929319","C=CCNCCNC1CCC(C)C1"]
["163023365","C=CCN[C@H]1CCC[C@H]1CO"]
["83964595","C=CC1CCSC(=S)S1"]
["65379595","C=CCN1CCC(NC(C)C)C1=O"]
["8468658","C=CCNC(=O)C1=N[C@@H](C)C(C(=O)OCC)=C1C"]
["58945831","C=CCCC(CN1CCC(C(=O)O)CC1)Oc1ccc(Cl)cn1"]
["113475365","C=CCn1cc(C)nc1NC1CCSCC1"]
["82207061","C=CCOC(=O)Nc1ccc(CCC(CC(=O)c2cc(OC)c(OC)c(OC)c2)OC(=O)C2CCCCN2)cc1"]
["79185044","C=CCNC1C[N]1"]
["193935766","CC1(C)NC(C)(C)C(C)(C)N2C3N(C1(C)C)C(C)(C)C(C)(C)N3C(C)(C)C2(C)C.CC1(C)NC(C)(C)C(C)(C)N2C3N(C1(C)C)C(C)(C)C(C)(C)N3C(C)(C)C2(C)C.CC1(C)[N-]C(C)(C)C(C)(C)N2C3N(C1(C)C)C(C)(C)C(C)(C)N3C(C)(C)C2(C)C"]
["179300369","CC1([NH3+])CC12CCC(C1CC1)C2"]
["61985929","Cc1ccc(C(=O)N2CC3CNCC3C2(C)C)o1"]
["158093959","C[C@@H]1CCN[C@H]1C(=O)N1CC(C)(C)C1"]
["28016093","CC1(C)CC(N2C=CC=CN2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1"]
["25283735","CC1(C)CC(N2CCN(C3CC(C)(C)NC(C)(C)C3)C2=S)CC(C)(C)N1"]
["84138468","CC1(C)NC(C)(C)C(Cl)(Cl)C(=O)C1(Cl)Cl"]
["181753512","CC(C)CC1CC(C)(C)[N-]C(C)(C)C1(CC(C)C)CC(C)C.[Li+]"]
["157829641","C[C@@H]1C[C@@]2(NC(C)(C)CS2)[C@H]1C"]
["195431668","CC1C[SH+]C(C)(C)N2C[C@@H]2C(C)[C@@H]1C"]
["104882604","CC1(C)C[C@@H](C(=O)Cl)C(C)(C)N1"]
["158296824","CC1(C(=O)N2CC(C(C)(C)O)C2)C[C@@H]2C[C@H]2C1"]
["195547565","CC#Cc1c(N)c(N)c(N)c(N)c1C#Cc1c(N)c(N)c(N)c(NCCI)c1C#Cc1c(N)c(N)c(N)c(N)c1C#CI"]
["88807499","CC#Cc1nnc(C(N)c2ccc(O)cc2O)o1"]
["59833674","Cn1ccnc1CCNc1ccc(N)cc1I"]
["120096984","CS(=O)(=O)NCCNc1c(Cl)cc(N)cc1C(=O)O"]
["170467475","Nc1cc(F)cc(C#CCCCl)c1"]
["57305474","COCC(Nc1ccc(N)cc1I)C(C)C"]
["159131371","CCCNc1ccnc(O)c1N"]
["114089649","Nc1cc(Cl)c(NCCCn2ccnn2)c(C(=O)O)c1"]
["187541820","CC#Cc1cc(S(C)(=O)=O)cc(S(=O)(=O)c2ccc(CN)s2)c1"]
["61636668","COCC(O)CNc1ccc(Cc2ccc(N)cc2)cc1"]
["178158076","CC(C)(I)Cc1ccc(F)c(CNc2c(N)c(=O)c2=O)c1"]
["75832673","CCS(CC)=NC(=O)c1cc(C#N)cc(C)c1N"]
["34039928","C1=CC2C=CC3C4C=C1C23C12C=CC3C=CC(C=C1)C342"]
["153814675","O=C1C(Br)=C[C@H]2[C@H]3C=C[C@@](Br)(C3=O)[C@@H]12"]
["162957858","CCO[C@@]12C=CC1C=CC2=O"]
["179387966","CCC1=CC2C=C[C@@]2(CC)CC1"]
["164487487","BrC1C=C2C=CC1(Br)c1ccc(cc1)-c1ccc(cc1)C1(Br)C=CC(Br)(C=C1)c1ccc2cc1"]
["63578326","C[C@]12C=CC3C=C1C=CC1C4C(C3)C[C@H](O)[C@@]4(C)CC[C@@H]12"]
["175531872","Cc1ccc(C)c2c1C=CC1(C)C2=[N+](C)C=C[C@H]1C"]
["195039004","CC=CC(CO)=C1C(=O)C=CC1(O)CO"]
["182764267","O=C1C=Cc2ncc(-c3nccc(=N[C@@H]4CCCNC4)[nH]3)n2C1"]
["100977323","CO[C@]12C3C=C[C@]14CC[C@@]1(O)CCC(=C3)C142"]
["70530416","O=C1C=CC(=O)C2C1C1C=CC2C23C(=O)C4C5C(=O)C12C1CC3C4C51"]
["184237626","ClC1C=CC(C23CC2CN(C2CC2)C3)=CC1Cl"]
["56596611","C[Si](C)=[O+][O+]=[Si-]O[Si-]=[Si]=c1ccc(=c2ccc(=[Si-][O+]=[Si]=O)cc2)cc1"]
["62551891","COc1ccccc1C1C2=C(CCCC2=O)N=C2ONC(C)=C21"]
["124214638","CCCN(CC(F)F)C(=O)C(=O)Nc1c(F)cccc1F"]
["142190161","CCCN(CC(F)F)C(=O)C(=O)Nc1cc(OC)ccc1OC(F)F"]
["46029064","C=[C-]C1C=CC(=[Si]=[O+][Si](C)(C)C[Si-]=[O+][Si](C)C)C=C1"]
["58032886","C[Si](C)OCc1occc1C(C)(C)C"]
["184651459","COc1cc2c3ccc4ccc5ccc(c1c5c42)=c1ccc(cc1)=c1ccc(cc1)=c1ccc(cc1)=c1ccc2ccc4ccc(c5ncc1c2c45)=c1ccc(cc1)=c1ccc(cc1)=c1ccc=3cc1"]
["100061791","COc1ccc(S(=O)(=O)NCC#CCOc2ccccc2C)cc1OC"]
["MCULE-5967009999","COc1ccc(CNC2=C(c3ccc(OC(C)C)cc3)C(=O)N(C3CCCCC3)C2=O)cc1OC"]
["104712658","COc1ccc(Br)cc1[C@H]1C[C@H]1C(=O)O"]
["88317316","COc1cccc(C2CCCCCC2C(=O)O)c1F"]
["104712620","COc1ccc([C@@H]2C[C@@H]2C(=O)O)c(OC)c1OC"]
["179787498","OCC1CCC(COI2CC3C[I-]C3C2)CC1"]
["63788505","O=C(CCc1ccccc1O)N1CCC(CO)C1"]
["85369704","CC1(C)CCC(OCC2CC2)C1N"]
["55328705","COCC1CCC(COC(C)OCC2CCC(COC(C)OCC(COC)N=C(O)OC)CC2)CC1"]
["105590895","N[C@@H]1C[C@@H]1C(=O)N1CCC(CO)CC1"]
["162953583","CCN=C(O)N1CC[C@@H](CO)C1"]
["78319344","O=C(/C=C/C1CCCC1)OCC1CC1"]
["74898138","OC[C@H]1CC[C@H](C(F)(F)F)CC1"]
["197931404","Cc1ccsc1S(=O)(=O)N1CCC(COCC(=O)O)CC1"]
["120625174","CN(C(=O)C1CCC(CO)CC1)C1CCCCC1"]
["17158458","C[C@H](C(=O)[NH2+]c1ccc(Br)cc1)N1CCC(CO)CC1"]
["159377095","O=C(O)N1CCC[C@@H](CO)CC1"]
["169993064","C#CC(C)(C)CCN(NC(=C)N(C(=C)NC(C)(C)CC(C)(C)C#C)C(C)(C)CC(C)(C)C#C)C(=C)CC"]
["194038692","C#CC(C)(O)CCCCCC.C1CO1"]
["177579387","CC(C)OCCC(C)(C)OCCN(CCOC(C)(C)CO)CC(C)(C)CC(C)(C)C"]
["169756921","C=C(CC)NC12CCC(N(C)C(=C)CC/C=C3/CC(=C)C(C)C3CC)(CC1Cl)C2"]
["91253263","C#CC(C)(C)N(N)CCCC=C"]
["148237258","C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)(CCC)C(=O)O)cc1"]
["61761732","CCCN(CCC(C)(NCC)C(=O)OC)CC(F)(F)F"]
["187865919","C=C(CC(C)C)C(C)N(C)C(=C)CC"]
["149668712","C#CCNCC(=C)C1CC1"]
["173920318","C=C(CC)[SiH](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C"]
["180631646","C=C(C)C(C)(C)CC/C(=C\\C)N(CC)CCCN[C@@H](C)CO"]
["87314778","C#CCN(CCC)c1ccc(Cl)c(CNC(C)(C)C)n1"]
["174483730","CC1(C)C=Cc2cc(NC(=S)[NH2+]c3ccc(NO)cc3)ccc2O1"]
["103819602","CCc1ccc2c(c1)[C@@H](Cl)CC(C)(C)O2"]
["98664388","CCC1(F)Oc2ccc(C3(C(=O)Nc4ccc5c(c4)cc(C(C)(C)C)n5CC4COC(C)(C)C4)CC3)cc2O1"]
["81217590","CCN=C(O)Nc1cccc(N=C(O)C2C=CC(c3ccco3)=NC2=O)c1"]
["197872379","Cc1cc(C(C)N=C(O)Nc2ccc3c(c2)OCO3)cc(C)c1F"]
["5098386","COc1ccc(CN2Cc3cc(NC(=O)CC(C)(C)C)ccc3O[C@@H](C)C2=O)cc1"]
["198231580","CC1(C)Oc2c(ncnc2Nc2ccc(NC(O)=NC34CC5CC(CC(C5)C3)C4)cc2)N=C1O"]
["8601420","OC(=NCc1nncn1-c1ccccc1)Nc1ccc2c(c1)OCCO2"]
["92164124","Cc1cc(NC(=O)C2(CN)CCC(C)CC2)ccc1Br"]
["20712430","NS(=O)(=O)[N-]c1cccc(NC(O)=C2C=CC(=NC(=O)c3ccco3)C=C2)c1"]
["177370272","CC1(C)CCOc2ccc(N=C(S)Nc3ccc(C(F)(F)F)cc3)cc21"]
["97237618","CC(=O)C(=NN=C1C=CC(=C(O)ON2c3ccccc3C(C)(C)C23C=Cc2cc([N+](=O)O)ccc2O3)C=C1)C(=O)c1ccccc1"]
["73581993","[2H]C1(C)[C@]2(C)C(C)(C)[C@]2(C)N(C(=O)[C@@H](N)C23CC4(C)C(C)C(C)(C2C)C(C)C(OC)(C3)C4(C)C)[C@]1(C)C#N"]
["124265467","COCCCN=C(O)C(C#N)C(=O)C1CC1c1ccccc1OC(F)(F)F"]
["55446167","CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1"]
["MCULE-5594878446","COc1ccccc1C(=O)N1CCC(CN2CCN(C(=O)C3(C#N)CCC3)CC2)CC1"]
["184385507","CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)CO[C@@H](C)[C@@]4(C[C@@H](n4c(Br)nnc4Br)[C@@H]5OC[C@](C)(N)C(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O"]
["179396074","COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1OC(O)C(C)C)Oc1ccccc1"]
["89569835","CCC(C#N)C1CCCN(C(=O)OC)C1"]
["147165736","COc1ccc(OC)c(C2CCCN2C(=O)CN2CCC(N)C(C)(C)C2)c1"]
["97138461","CCOC(=O)C1(C(=O)OCC)C(C#N)=C(N)Oc2c1c(C)nn2-c1cc(C)ccc1C"]
["147210620","CC(N=C(O)COc1ccccc1)C(=O)N1CCC(N)C(C)(C)C1"]
["MCULE-2281877569","COC(=O)Cn1nc(C(F)F)c(C#N)c1N"]
["122610453","CCn1cc(C(=O)C(=O)NCC(C)CC2(C)OCCO2)cn1"]
["78340147","BNPOC(=O)N=C(N=C(O)OPNB)n1cccn1"]
["58618937","CC(Nc1nccn1C)c1ccccc1F"]
["MCULE-4070847692","O=C(CCn1cccn1)N1CCC2(CC1)CCN(C(=O)C1CCC1)C2"]
["128802874","CC1CN(Cc2ccc(CNC(O)=NCCCn3cccn3)cc2)CC(C)O1"]
["154143085","Cn1c(Cn2cccn2)nnc1[C@H]1C[C@@H](N=C(O)CCO)C1"]
["133584677","OC(=NCCCn1cccn1)NCCn1cccn1"]
["24747167","CC(NCCn1cccn1)C(O)=NCC1CCCO1"]
["93527983","CCCOC(=O)C(C)n1cccn1"]
["146286022","CNCC(C)C(O)=Nc1ccc(-n2cccn2)c(Cl)c1.Cl"]
["125799952","CC(N=C(O)N(C)CCc1ccncc1)c1ccc(-n2cccn2)cc1"]
["48242611","COC(=O)C1C(c2ccccc2)C1(OC)c1ccccc1"]
["10324964","CC(C)C[C@@H](C)CC(O)=Nc1cccnc1-n1cccn1"]
["189130777","C=CC(=O)N1C2CN(I)C(C3CC4C(CN4C(=O)/C=C/C(F)F)N3I)C1C1CC12"]
["196694445","C=CC(=O)N1CCN(C2N=C(O)N3C4NC(C(F)CC24)C2C(F)CCCC2Cc2cnnn2CC2CCNC(C(C)C)C23)CC1CC#N"]
["166445790","C=CC(=O)N1CC2CCCC2C1C(=N)O"]
["155031113","CCOC(=O)N1C[C@H]2C[C@H]3C[C@H]2[C@@H]1C3"]
["17867831","C=CCN1C[C@@H](C(=O)O)C[C@H](c2ccc(F)c(C)c2)C1"]
["CSSS14948291562","C=CC(=O)N1C2CCCC1CC(N=C(O)C(C)Cc1cccc(C(F)(F)F)c1)C2"]
["194508532","C#Cc1[nH][nH]c(=NC)c1C(=N)O.C=CC(=O)N1CC(SC)C[C@H]1C.CC"]
["186987738","C=CC(=O)N1CCN(C(C)CC)CC1C(=O)O"]
["CSSS20621751740","C=CC(=O)N1[C@H](C)C[C@H]2CN(C(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)C[C@H]21"]
["140439038","O=C(C=Cc1ccc(OC(F)F)cc1)N1CCc2ccccc2C1CO"]
["154045240","C=C[C@@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@@H]2C[C@@H]3c4ccc(OC)cc4N[C@@H]3[C@@H]3C[C@@H]1[C@@H]2CO3"]
["196686261","C=CC(=O)N1C[C@H](C)N(C2N=C(O)N3C4NC(C(F)CC42)C2C(F)CCCC2CCn2cccc2C2CCNC(C(C)C)C23)C[C@H]1C"]
["195854053","C[C-]=C1CN2C(CN1[CH-]C)OC1CC2[I+]1"]
["55471205","CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)[C@H]1C(=O)OCc1nnc(C)o1"]
["88542222","CCC1CNC(C(C)C)CN1C1CCOC(CC)(CC)C1"]
["178562973","C[C-]=C1CN(C)[C@H](C)CN1C.[U]"]
["43309093","[CH2-][NH+]1CCC(N2CC3CC2CN3C)CC1"]
["174318635","CCC1CC(N2CC(C)CC2=O)CC(F)(F)C1"]
["94022858","CCC1CC(C(=O)O)C(C(=O)N2CCOC(CO)C2)C1"]
["89503924","CCCC1CC(NCCCO)CN(C(C)CC)C1"]
["158002638","C[C@@H]1CC[C@H](CN2C[C@@H](N)C2=O)O1"]
["81435513","C=C(C)C1CN(C2CC(F)C(CO)O2)C(=O)N=C1O"]
["93306987","CCC1CCN(Cc2nnc(Cl)s2)C1"]
["82347856","CC1CN(C2CC(O)C(CNCCCO)O2)C(=O)N=C1O.I"]
["186504628","C=C(C)CCC(CC(=C)C(C)CCCCCCCC(=C)Cc1c(C/C=C(\\C)CCC(=C)N)c(C)c(C)c2c1C(=C)CC2)CC(C)C"]
["174966342","C=C[C@@H]1C[C@]1(N)C(O)=NS(=O)(=O)c1ccccc1N=C(O)CCCCCCCC(O)OC"]
["82108980","CCC(CCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12O)CC(=O)O"]
["165764398","COc1c(C)c2c(c(OC3OC(C(=O)O)C(O)C(O)C3O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2"]
["184909776","C=CCCCCCCCNCCCCCCCC(=C)CC(C)CCCCCCCC.CCCCCCCCC(CC)CCCCCCCC"]
["77349954","COC(=O)Cc1cc(O)cc(CC=C(C)CCC(=O)C(C)CCC=C(C)CC(O)C=C(C)C)c1O"]
["47259725","COc1ccc(CCCCCCCCCCCCC(=O)Oc2cc(CCCC(C)C)cc(OC)c2CCCCCCCCC(C)C)cc1"]
["25573186","COc1c(C)c2c(c(NC(=N)O)c1CC=C(C)CCC(=O)OCCN1CCCCC1)C(=O)OC2"]
["104874082","C/C=C(\\C)C/C=C(/C)CC(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C"]
["155141329","COc1ccc(-c2nnc(-c3ccc4nc(CC/C(C)=C\\Cc5c(O)c6c(c(C)c5OC)COC6=O)[nH]c4c3)o2)cc1"]
["198402271","C=C(C)C1=C(/C=C(/N)C(=C)OC)CC=CCC1"]
["172174678","CCCCCCCCCC(C)C(=O)Cc1cc(C)ccc1C(C)C"]
["166646802","F/C=C(\\N1CCN(C(F)(F)F)CC1)N(C(F)(F)F)C(F)(F)F"]
["MCULE-2730039744","N#CCCN1CCN(C(=O)Cc2c(F)cc(-c3ccc(F)c(C#N)c3)cc2F)CC1"]
["128998877","O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CCCN(C2CC2)CC1"]
["161335651","FC(F)=C(N1CC(F)CC(F)C1)C(F)(F)F"]
["124148012","C#CCN1CCN(C(=O)C(C)c2c(C)nn(CC(F)(F)F)c2C)CC1"]
["120200152","O=C(O)CC1CCN(C(=O)C(F)(F)C(F)F)CC1"]
["135947504","O=C(OCCCC(F)(F)F)C1CCN(C(=O)N2CCCC2)CC1"]
["MCULE-5880753956","CC(C)(C)OC(=O)N1CCN(C(=O)Cc2c(F)cc(-c3ccc(C#N)c(F)c3)cc2F)CC1"]
["76426783","NCC1C2=NCCCN2N=C1C(F)(F)F"]
["MCULE-7724820515","COc1ccc(-c2ccc(CC(=O)N3CCN(C(C)(C)C)CC3)c(C)c2)c(F)c1F"]
["147567764","CN=C(O)CN1CC2CN(CC(F)(F)F)CC2C1"]
["85400066","O=C(Cl)N1CCCC(C(F)(F)F)C1"]
["32831433","C#CC(O)/C=C/C1=CC=CC=C(C(O)C#C)C1"]
["183836501","C=C1C=CC=C(C(C)N)C1"]
["180471547","C/C=C(\\C=C\\C1=CC=CCC1)CC"]
["194404642","C#CC(Cc1ccccc1)[N+](C)(C)C=C.[Cl-]"]
["159125540","C#C[C@@H](O)C(C)(C)n1cc(N)cn1"]
["76692288","C=CCC(C(C)=O)(C(C)=O)C(C=C)C=CC1=CCCCC1"]
["162258866","C#C/C=C/C(O)c1ccccc1"]
["174786578","C#CCN1CCCC1.CC1(C(=O)O)C=CC=C(C(=O)O)C1"]
["90928335","Cl.NCC(O)C=Cc1ccccc1"]
["34609540","C#CC(O)/C=C/C1CCCC1"]
["156564473","C#C[C@H](O)c1cccc2c1NCC2"]
["34507008","C#C[C@H](O)CCCCCO[Si](C)(C)C(C)(C)C"]
["180147516","[NH3+]C1CCCCC1NC1CC=C(C2C3=CCCC=C3C(C3=CC4=C(C5=CCCC35)C3CCCCC3O4)=C3CCCCC32)CC1"]
["74724590","OC(=NCC[C@@H]1[C@@H](Nc2nccc(N3CCCCCC3)n2)CCCN1C1CCCCC1)C1(O)CCNCC1"]
["171153421","C[C@]12C=C[C@H]3[C@@H](CC=C4CCCC[C@@H]43)[C@@H]1CC13OCCOC12OCCO3"]
["70291736","COc1ccc([C@@H]2C[C@@H](O[C@H]3CCCC[C@@H]3c3ccccc3)ON=C2CN=[N+]=[N-])cc1OC1CCCC1"]
["194917599","[NH3+]C1CC(C2(CC3(O)C(O)C(CO)OC(OC4CCCC5C(=O)C6C=C(CC7CCCC(CO)C7)C=C(O)C6C(=O)C45)C3O)CCCC2)CCN1"]
["64282083","C=C[C@@H]1O[C@@H]2CCCC[C@@H]2C2=C1CCCC2"]
["69718348","CCCN1C(=O)C2=C(C(=O)C3CCCCC3O2)C1c1ccc(Cl)c(Cl)c1"]
["76536516","O=C1C2=C(OC3CCCCC13)C(=O)N(Cc1ccc(Cl)cc1)C2c1ccc(Cl)cc1"]
["167398122","O=C1OC[C@H]2CCC3=CCC=C1[C@H]32"]
["53809424","COC1CCCCC1C1=C(C(F)(F)F)OC2C(=C1O)CCC(=O)C2C[NH+](C)C"]
["199631951","N=C(N)NC(=N)Nc1ccccc1C1OC2CCCCC2c2sccc21"]
["90993341","O=C1C2=C(C=CNC=C2c2ccccc2)OC2CCCCC12"]
["44408715","C=Cc1ccc(N2C(=O)C3CC=C4C(CC5(Cl)C(=O)N(c6c(F)c(F)c(F)c(F)c6F)C(=O)C5(Cl)C4C4=COc5ccc(O)cc5C4)C3C2=O)cc1"]
["193723228","CC1=C(c2cc(F)cc(F)c2)[C@@H](c2ccc(/C=C/CN3CC(CF)C3)cc2)Oc2cc(O)ccc21.CC1=C(c2cc(F)cc(F)c2)[C@H](c2ccc(/C=C/CN3CC(CF)C3)cc2)Oc2cc(O)ccc21"]
["102860906","CC(C)C1=C[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]13"]
["77160872","O=C1C2CC(CO)=C(C(O)CCC(=Cc3cccc(O)c3)c3ccccn3)C(CO)C2C(=O)N1c1cccc([N+](=O)[O-])c1"]
["77744539","O=C(C1CSC(O)=[NH+]1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1"]
["46936159","COCC1=C2[C@@H](CC/C(C)=C/c3cccc(O)c3)OB(O)C[C@@H]2[C@@H]2C(=O)N(c3cccc(B(O)O)c3)C(=O)[C@@H]2C1"]
["56588587","O=C1[C@@H]2[C@@H](CC(COc3ccccc3)=C3[C@@H](CC/C(=C/c4cc(Br)ccc4O)c4ccccc4)OC[C@@H]32)C(=O)N1c1ccccc1"]
["77161076","COC1=CC(=CC(CCC(O)C2=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC3C(=O)N(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(=O)C3C2CO)=C2CCCCN2)C=C(I)C1=O"]
["66854844","CC(C)C(N=C(O)C12CC3CC(CC(C3)C1)C2)C(O)=NN=Cc1ccc([N+](=O)[O-])o1"]
["21326588","Clc1ccc(C2([NH2+]C[C@@H]3C[NH2+]c4ccnn4C3)CCC2)cc1"]
["1928054","C[C@@]12CC[C@H]3c4ccc(OCc5c(F)c(F)c(F)c(F)c5F)cc4CC[C@H]3[C@@H]1CCC2=O"]
["45819583","O=C1[C@H]2[C@H](CC=C3[C@H]2C[C@H]2C(=O)N(c4cccc(Cl)c4)C(=O)[C@@]2(c2ccccc2)[C@H]3c2ccc(O)cc2Cl)C(=O)N1c1ccccc1"]
["177768178","CC(C)(C)c1noc(C(C)(C)C)c1C(C)(C)CCC(C)(C)n1nnc(C(C)(C)C)c1C(C)(C)C"]
["8686311","CC(=O)N(c1nnc(SCc2noc(C(C)(C)C)n2)s1)C1CC1"]
["MCULE-6390662637","CCCOc1ccc(-n2nc(C(C)(C)C)c(C(C)(C)C)c2N)cc1"]
["69077607","CC(C)(C)c1nn(-c2ccccc2)cc1C(O)=NCc1ccon1"]
["170019631","CCCC(C)(C)n1nnc2c(O)nc(=N)[nH]c21"]
["186238544","CC(C)(C)c1nnoc1C(C)(C)S"]
["120350583","CC(C)(C)n1cc(CNCc2ncon2)nn1"]
["1801147","CC(C)c1cc(C(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)on1"]
["183313096","CCc1nnnn1[Si](C)(C)C(C)(C)C"]
["91794212","COc1cnn(C)c1C(C)(C)CCN"]
["199001494","CC(C)(C)c1ncc(S(=O)(=O)Cc2noc(N3CCCC3)n2)o1"]
["154848001","CC(C)(C)c1ccc(N2CC(CNC3Cc4ccccc4C3)C2)nn1"]
["22948574","C[C@@H]1C(=O)O[C@H]2[CH][C@]34[C@@H]5OC(=O)[C@]3(OC3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@@H]5O)[C@]21O"]
["153847407","CO[C@@H]1C2=C(C(=O)C(=O)C(C(C)C)=C2)[C@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O"]
["42808804","CC(C)(C[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1O)[Si](C)(C)O"]
["51067466","CC1C(=O)OC2CC3(C)OC3C(OC(=O)Nc3ccc(-c4ccccc4)s3)C(N(C)C)C3=CC(OC3=O)C21"]
["151328634","CC1(C)C(=O)CC[C@]2(C)[C@@H]1[C@H](O)C=C1COC(=O)[C@]12O"]
["194935428","C[C@H]1C(=O)O[C@@H]2CC34[C@@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@@]21O"]
["96620641","CC(C)(C)B1OCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)O1"]
["154564647","C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\\C)[C@@H](O)[C@@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@@]12O[C@H]3O"]
["50001635","CC1C(=O)OC2C1CCC(C)C1(O)C=CC(O)C21C"]
["96735080","CC[Si](CC)(CC)O[C@H]1C(=O)O[C@@H]2OC34C(=O)OC5[C@H](OC(C)=O)[C@@H](C(C)(C)C)[C@]21C53CC[C@@H]4C(C)C(=O)OC"]
["172868589","CC(C)(O)C1CCC2(C)OC(=O)CCC(=O)OC2C1O"]
["44714193","C[C@@H]1C(=O)O[C@H]2C(O)C34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)C(O)C34[C@H](C(C)(C)C)[C@H]5O)[C@@H]12"]
["180725650","CB(OC(C)(C)C(C)(C)C)C1CCC(N(C2CCC(CN)CC2)C2CCC(B3NC(C)(C)C(C)(C)O3)CC2)CC1"]
["44955524","CCN(CC1CC1)CC1(CNC(C)(C)C)CCCCCC1"]
["59979039","NCCN(C(=O)c1coc2ccccc12)C1CCCCC1"]
["112464221","CCN(Cc1cncc(F)c1)C1CCCCC1CN"]
["92583574","CCN=C(O)[C@H]1CC[C@H](CN)CC1"]
["53475947","CCC(CCN)N(CC1CC1)C1CC1"]
["56042638","CCCN1CCCCC(CN)C1c1ccc(OC)c(F)c1"]
["179581552","C=CC(=O)OC1CCC(CCC2CCC(N(C3CCC(CCC4CCC(OC)CC4)CC3)C3CCC(CCC4CCC(OC(=O)C=C)CC4)CC3)CC2)CC1"]
["46109481","CCC1(CC)C(O)=NC(C(C)(C)C)C(=O)N1CC1CC1"]
["85170292","CCCN(CCN(C)C)C1CCC(CO)(NCC)C1"]
["94668564","NCC1(C(=O)OCC2CCOCC2)CCOCC1"]
["15124178","CCCC[C@H]1CC[C@H](C(O)=NOCC)CC1"]
["171420801","CC(=O)c1cc([C@]23O[P+]([O-])=C4OP5(=O)O[C@@]26[C@]2(O5)[C@@]4(O3)P62=O)c(N)[nH]1"]
["MCULE-9148159953","CCOC(=O)C(N)CC(O)=NC(=O)c1cc(=O)c2c(C)cc(C)cc2[nH]1"]
["22471581","CCOc1cc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CC[NH+]2CCOCC2)ccc1O"]
["MCULE-6073396687","CC(=O)c1cccc(N=c2nn[nH]n2-c2cccc(C(C)=O)c2)c1"]
["101007646","CCCCC1=C(/C=C(\\C)C(=N)O)C(C)(C)OP1(=O)OCC"]
["174053245","CN(O)CC1=CSC(P)N1.NCC(=O)[O-].[Y]"]
["170804343","CC(=O)SCC(=Cc1cnc(F)c(N)c1)B1OC(C)(C)C(C)(C)O1"]
["12216558","COc1ccc(N=c2[nH]c(N)c(C(C)=O)s2)cc1"]
["174858765","C=C(Cc1ccc(C(C)c2ccc3[nH]c(=C)/c(=C\\N)c3c2)cc1)c1ccc[nH]1"]
["174888434","CCCC(=O)c1cc2cc(C)cc(N)c2[nH]1"]
["164337372","C=C(C)CCC(=C)c1[nH]c(C)cc1C"]
["106393644","CC(=O)c1csc(=Nc2ccccc2C(C)(C)C)[nH]1"]
["67471922","CCC(OC(OC(CC)[O+]=[Si-])C(C)CCN1[CH-][C-](C)[C+]([O-])[N-]C1=[OH+])[O+]=[Si+]"]
["151739225","CCC1=N[C@]2(CC[C@H]3CN(C(O)=NCC(C)C)C[C@H]32)C(=O)N1CC(C)C"]
["151728710","CC1=N[C@]2(CC[C@H]3CN(C(O)=NC(C)C)C[C@@H]32)C(=O)N1CC1CC1"]
["108397047","CCC1=N[C@@]2(CC[C@@H]3CN(c4ncc(C)cn4)C[C@@H]32)C(=O)N1CC"]
["77062288","CCCC(C)N1CC=CC23OC4(CC)C=CCN(CCC)C(=O)C4C2C(=O)N(C(CO)C(C)CC)C3C1=O"]
["151739176","CC1=N[C@]2(CC[C@H]3CN(C(O)=NCC(C)C)C[C@@H]32)C(=O)N1CC(C)C"]
["119058256","CCCn1c(C)c(C(O)=NC(C)CCCO)c2cc(OC)ccc21"]
["45656884","CCC(c1ccncc1)n1ccnc1-c1ccc2nsnc2c1"]
["177483340","CC(C)N1C2CCC1C(=O)N(CCF)C2"]
["173321074","CC(C)CC1=C(CC(C)C)[C+](CC(C)C)C=C(CC=CS(=O)(=O)[O-])C1=[Si-].[H+]"]
["186883127","CCCC(CC)C(=O)CN1C(=O)N(C)C(C)(CC(CC)CC)C1=O"]
["143808204","CCCCC(CC)COCc1cccc(N=C(O)Cn2ncn(C)c2=O)c1"]
["198170912","O=C1CCCC(=O)N2CC3CC1CN(N2)C3=O"]
["181080027","Cc1nc(C)c(C2C(=O)CCCC2=O)nc1C"]
["104823380","O=C1C[C@H](NC[C@@H]2Cc3ccccc3O2)C(=O)N1C1CC1"]
["MCULE-4677593661","O=c1cc(-c2cc(Br)ccn2)[nH]c2c(C3CC3)c(C3CCCC3)nn12"]
["132047578","Cc1ccccc1NC1CCCN(c2ccn(C)n2)C1=O"]
["MCULE-6372068614","CCc1c(C2CCC2)nn2c(=O)cc(-c3ccc(C)cc3F)[nH]c12"]
["195853745","O=C1CCCN1C1=NC1"]
["134151394","CN1CC(C(=O)N2CCCC3(C2)OCCO3)CC1=O"]
["106046071","O=C1CCCC[C@H]1CN1CCN(C2CC2)CC1"]
["174581111","C=CCNC(=O)C(=O)C(CCC)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](NC(O)=N[C@H](CN1C(=O)CCCC1=O)C(C)(C)C)C1CCCCC1"]
["93499352","CC1CCC(=O)C(CN2CCSC(C)C2)C1"]
["MCULE-2741387717","Cc1cc(C)nc(-c2cc(=O)n3nc(C4CCC4)c(C)c3[nH]2)c1"]
["195954428","O=C1OCC(CON([O-])I=[N+]([O-])OCC2CO[C-]([O-])O2)O1"]
["97636602","O=C1OCC(C(F)(F)C2CCOC2)O1"]
["179846706","C/C=C\\c1cccc(COC[C@@H]2CCCC(=O)O2)c1"]
["CSSS20521995813","C[C@@H]1COC[C@H]1CN(C)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O"]
["175885445","C[Si](C)(C)C(O)C1COC(=O)O1"]
["182670770","COC(OC)C1CCOC(=O)O1"]
["MCULE-6130902354","COc1ccc(C2=C(NCC3COc4ccccc4O3)C(=O)N(CCCN(C)C)C2=O)cc1OC"]
["181574647","COC(=O)C1CCN(OCC2COc3ccccc3O2)C1"]
["113822619","O=C1COc2cc(OCOCC3CC3)ccc21"]
["33090208","Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4occc4c3O2)cc1"]
["5601529","O=[N+]([O-])c1cc(C(O)=NC[C@H]2COc3ccccc3O2)ccc1NCc1ccccc1Cl"]
["1789044","CCOc1cc([N+](=O)[O-])c(C(O)=NC[C@@H]2COc3ccccc3O2)cc1OC"]
["172508136","COCOc1cc(-c2ncc3c(N(C)[C@@H]4C[C@H]4F)nc(OC[C@@]45CCC=[N+]4C[C@H](OC)C5)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1"]
["199334743","CN(c1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)c(-c3cccc4cccc(Cl)c34)ncc12)[C@@H]1CCN(C(=O)/C=C/CBr)C1"]
["176755803","CC(=O)[C@H](C)CC(=O)N=O.CC(C)OC(=O)C(C)(C)N1CCC(N(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3cccnc32)CC1.CCC"]
["171773853","C#Cc1c(F)ccc2cccc(-c3nc4c5c(nc(OCC67CC(=C)CN6C[C@H](OC)C7)nc5c3F)N3C[C@H]5CC[C@H](N5)[C@H]3[C@H](C)O4)c12"]
["172759270","COCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)cc1)O2"]
["MCULE-2182816444","COc1ccc(-c2cc(N=C(O)CN3CCOCC3)cnc2OC)c(F)c1"]
["31680731","COc1cc(F)c2[nH]c(C3CCCCC3)c(C=C3Oc4ccc(N=C(O)Nc5ccc(C(=O)NCCN(C)C)cc5)cc4C3=O)c2c1"]
["172576956","CO[C@@H]1CCN(C(C)/C=C/C(=O)N2CCN(c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c(-c5cccc6ccc(F)c(Cl)c56)ncc34)C[C@@H]2CC#N)C1"]
["171485444","[2H]C([2H])([2H])Oc1ccc(C(=O)N2CCC3(CCC(CN4CCN(CC5(COc6nc(N7CCC[C@@](C)(O)C7)c7cnc(-c8cc(OCOC)cc9ccc(F)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c89)c(F)c7n6)CC5)CC4)CC3)CC2)cc1N1CCC(O)=NC1=O"]
["MCULE-7685815145","CCOc1ccc(F)c(-c2ccc(F)c(C(O)=Nc3ncccc3F)c2F)c1"]
["177989798","C=C(F)C(=O)N1CCN(c2nc(OCC34CCCN3CCOC4)nc3c(F)c(-c4cccc5ccc(F)c(Cl)c45)ncc23)C[C@@H]1CC#N"]
["76316835","COc1ccc2ncc(CF)c(C(F)CCC3(CO)CCN(CCC4CCCCC4)CC3)c2c1"]
["179041534","N=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1=CC(=P([NH-])(c3ccccc3)c3ccccc3)C=CC1=I2"]
["178779832","C[NH+]=C1C=CC=CC1=C1C=C(c2ccccc2)c2ccc3c(c2N1C)N(C)C(=C1C=CC=CC1=[NH+]C)C=C3c1ccccc1"]
["23722921","O=C1Nc2ccc(Br)cc2C1=NN=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)N=C(O)c1ccccc1"]
["65427047","ClC(P(=C1C=C=CC=C1)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1"]
["161920381","O=P(c1ccccc1)(c1ccccc1)c1ccccc1COCCOCc1ccccc1P(=O)(c1ccccc1)c1ccccc1"]
["33074393","CCOC(=O)CP(=O)(O)c1ccccc1"]
["163413181","CSC(=Nc1ccccc1)NN/C=C1/C=C(Cl)C=CC1=O"]
["33219875","CC(C)c1cc(C(C)C)c(-c2cc3c(c4c2=[O+]P(=O)(O)[O+]=c2c(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cc5c(c2-4)C=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=5)C=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=3)c(C(C)C)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F"]
["175383899","c1ccc(P(=C2CCOC2)(c2ccccc2)c2ccccc2)cc1"]
["195611609","NNP(=O)(O)c1ccccc1"]
["185184387","Cc1cc2c(N)nc(-c3ccccc3)[nH]c-2n1"]
["59229424","C=P(c1ccccc1)(c1ccccc1)C(O)c1ccc(Cl)c(Cl)c1"]
["99194688","Bc1cc(P)c(OC2=BC3(B2)CCC(c2cc(P)c(-c4cc(P)c(P=C=P)c(P)c4)c(P)c2)CC3)c(P)c1"]
["180225511","C[C@H]1C=CC2C3CCc4cc(OP)ccc4C3CC[C@@]21C"]
["179153922","COc1c(Cl)cc(C2=C(C3CCC(S(C)(=O)=O)CC3)CC3(CC3)C2)cc1Cl"]
["179649690","COC1OC(=O)C2=C1C(C)C(C1=CC=C3C(=O)OC(=O)C3(C)C1)CC2"]
["103612150","Cc1ccc(OC[C@H](O)CN2C(=O)C3(CCC(c4ccccc4)CC3)N=C2O)c(C)c1"]
["178595339","Cc1ccc(-c2c3ccccc3c(OC3CCC(c4ccccc4)CC3)c3ccccc23)cc1-c1ccccc1"]
["144933555","CC(O)Cc1cccc(C2CCC(C)(C)CC2)c1"]
["122429302","CN1C(=O)C2(CCN(C(O)=NC3CCC(c4ccccc4)CC3)CC2)N=C1O"]
["69690307","COc1cc(C)cc(C2(C)CCC(OS(=O)(=O)c3ccc(C)cc3)C2=O)c1OC"]
["29651885","CCN1CC2Cn3c(cc(C4CCCCC4)cc3=O)C(COC)(C2)C1"]
["179054160","CC(C)Oc1cc(N2CCC(c3ccc(=IN=C(O)C4CC4)[cH-]c3)CC2)ncn1"]
["196481746","Cc1cc(C)cc(C2CCC3(CC2)CNC3C)c1"]
["173826653","C=C1CCCO/C1=C(C)\\C(C)=C1/CCCC/C1=C(/C)c1sc(/C(NC)=C2\\CNCCN\\C2=C/C(/C=C/C)C2/C(=C\\C)[B]CC2C)c2c1CCCC2"]
["184332639","C=CC[C@H](OC(=O)C1CCCN(C(=O)[C@H](Cc2cccc(F)c2)N=C(O)[C@@H](N=C(O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)/C=C/C)C(C)C)N1)/C(C)=C/C=C/CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(N=C(O)[C@@H](CC)C[C@@H]2C)C(C)=C[C@H]1C"]
["101618827","Cc1nc2c(cc(-c3ccnc(-c4cnc(N5CCN(C)CC5)cn4)c3)n2C)c(-c2cc(F)c3c(c2C)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O"]
["MCULE-9014675314","O=C(NCC1CCCO1)c1c(N=C(O)CC2CCCCC2)sc2c1CCC2"]
["8783241","CNC(=O)c1c(N=C(O)c2cc3ccccc3cc2OC)sc2c1CCCCC2"]
["80993619","CCN(C(C)Cc1ccc2c(c1)CCO2)C(C(=O)OC(C)(C)C)C1CCNCC1"]
["MCULE-4071184049","CC(C)c1ccccc1OCCCC(O)=Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2"]
["69176188","CCOC(=O)c1c(N=C(O)[C@H](C)Sc2nnc(CNC(=O)c3ccco3)n2-c2cccc(Cl)c2)sc2c1CCCCC2"]
["109443296","O=C(NC[C@H]1COc2ccccc2O1)c1ccc(-c2nc3ccccc3s2)o1"]
["151091594","CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c2=O)=N1"]
["110836381","COC(=O)C(OC(C)(C)C)c1c2c(c(CN)c(C)c1-c1ccc3c(c1)CCCO3)NCCC2"]
["179175172","C/C=C\\C(Cc1ccc(Br)nc1)=C1\\C=C2OCCNC2=CC2=C(C)C21"]
["184332293","OC1=NC2=CC=C3N=CSC3C=C=C2/C1=C/C1=CN=C=N1"]
["66166103","Cn1cccc1C=C1C(O)=Nc2sccc21"]
["98985086","CCCCCOc1ccc(N2C(=O)C(=Cc3ccc(C)o3)C(O)=NC2=S)cc1"]
["174291036","OC1=Nc2cc(C(F)(F)F)ccc2/C1=C\\c1cc(O)ccc1O"]
["103915985","Nc1ccccc1N/C=C1\\C(=O)N(C2CC2)C(=S)N=C1O"]
["75400854","OC1=N[C]2N=C=NC=C2C=C1"]
["83161081","CSC1=NC2N=NC=C2C(O)=N1"]
["42874029","CON=C1N=C(O)/C(=C/c2cc(C(C)(C)C)c([O-])c(C(C)(C)C)c2)S1"]
["180131714","C=S(C)N(CCC)C(=O)C1=CC=C2N=CSC2C#C1"]
["31500815","CCN(CC)CCOc1ccc2[nH]c(/C=C3/C(O)=Nc4cc(Br)ccc43)cc2c1"]
["42643049","COc1ccc(Br)c(C=C2C(O)=Nc3ccc(CCCl)cc32)c1O"]
["52482216","CNC=C1C(=O)N(c2cccc(C)c2C)C(=O)N=C1O"]
["175752191","CC/C=C/C(/C=C\\C([O-])=C/C(C)(CC)C(O)(C(F)(F)F)C(F)(F)F)=C(/[CH+]C(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F"]
["173768099","CC/C=C\\C=C(/C)C[B]C(C)(C)c1ccccc1"]
["173562403","CC(O)(c1csc(N=CO)n1)C(F)(F)F"]
["185443024","CCC=CC(=O)CC(C)(C)CCCC"]
["170510205","C1CN2CCN1CC2.CCCC(O)(C(F)(F)F)C(F)(F)F.CCCC(O)(C(F)(F)F)C(F)(F)F"]
["174343425","C=C(F)SC(=C)/C=C\\CC"]
["48096126","CCCCC(C)(O)C=CCCCCI"]
["181309082","CCC=CC=CC=CCCC=CC=CC=CC(O)=NCC(O)(CCC)CCC"]
["178275374","CCC(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F"]
["172727592","CC=CC=CC=CCCC=CC=CC(O)=NCC(C)(O)CCCCC"]
["91068847","CCCC(F)(F)C(F)(F)C(O)(C(C)(F)F)C(C)(F)F"]
["53667769","CCCC(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F"]
["193054935","CCCCCC(Cl)CCOCCCN=c1nc(Br)[nH]c(=NCOC(C)CC)[nH]1.COC(C)CN=c1ncnc[nH]1.COCCCN=c1nc(Cl)[nH]c(=NCCC(C)OC(C)C)[nH]1"]
["MCULE-3006699344","CCCCCCN=c1nc(N2CC(C)OC(C)C2)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1"]
["65039290","CCCCCC(CC)N=c1[nH]c(N(c2ccccc2)c2nc3c(CCC(C)C)c(CCC(C)C)ccc3o2)nc(=N)[nH]1"]
["MCULE-6800364053","CCOCCCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N2CC(C)CC(C)C2)n1"]
["130604791","CC(C)c1cc(=NCCCOCC2CCOCC2)[nH]c(C(C)C)n1"]
["MCULE-4605689039","CCCCOCCCN=c1[nH]c(=NCCCOCCCC)[nH]c(=Nc2cccc(C)c2)[nH]1"]
["MCULE-3481372752","CCCCOCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccccc2Cl)C1=O"]
["143134503","CCCc1cc(N(C)CCOCCCOC)n2ncnc2n1"]
["112576781","COCCOCCCN=c1[nH]c(Cl)ncc1[N+](=O)[O-]"]
["MCULE-4120308087","CCCCOCCCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1"]
["165189232","CC(N=c1[nH]c(Cl)nc2[nH]ccc12)c1ccncc1"]
["184923661","COCCC[S@@](=O)c1sc2nc(-c3cnc(=NCCO)[nH]c3)cc(C(F)(F)F)c2c1N"]
["91032480","[N-]=C1C=CC2=C3C=Cc4ccccc4[C+]3C=CC2=C1"]
["51259122","C1=C[PH+](c2ccccc2)c2ccccc21"]
["176672287","COC1=Cc2ccccc2C(O)(C2CCN(C)CC2)c2cc[se]c21"]
["175594188","C1=Cc2ccccc21.Cc1ccon1"]
["174867240","CC1(C)C=C2C=CC(=O)CC2=Cc2ccccc21"]
["106910999","C[C@]12N=CC(C#N)=C1C=Cc1ccccc12"]
["173333296","CC1=C\\C=C\\c2ccccc2/C=C\\1"]
["9554034","CCN=C(O)N=C(O)[C@@H](Sc1nc(=N)[nH][nH]1)c1ccccc1"]
["170581506","CC(C)c1cccc(C(C)C)c1[N+]1=Cc2ccccc2[B-]1(Cl)Cl"]
["96597804","[C-]=C1[CH]c2ccccc2C=C1"]
["167414915","C/C=C/C[C@]1(C)C(=O)C(Br)=Cc2ccccc21"]
["32222617","C1=Cc2ccccc2/C1=C1/C=Cc2ccsc21"]
["174044449","[B]C([B+])(c1cc(Cl)cc(C([O-])(O)C([B+])([O-])c2cnc3c(c2)=C([O-])OC2=NCC=CC=32)c1)C([B+])([B+])c1cnc2c(c1)=C([O-])OC1=NCC=CC=21"]
["139973622","OC(=Nc1cc(C(F)(F)F)cnc1O)NC1(c2ccc(Cl)cc2)CCC1"]
["137973959","N#CCN=C(O)CSc1ncc(C(F)(F)F)cc1Cl"]
["180118484","Nc1ncnc(N2CC[C@H](CC(=O)O)[C@@H](N3CCC[C@@H](Nc4cc(Cl)cc(C(F)(F)F)c4)C3=O)C2)c1F"]
["192123050","Cc1cc(B(c2cc(C)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cc(Br)cc(C(F)(F)F)c1.Cc1cc([B-](c2cc(C)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[O+]2CCCC2)cc(C(F)(F)F)c1"]
["175853002","CC(F)=CN1C[C@@H]2C(=O)N(C)c3cnc4c(F)c(-c5c(F)cc(F)c6sc(=N)[nH]c56)c(Cl)cc4c3N2C[C@H]1C"]
["126081907","Cc1cc(C(C)(O)CNC(=O)C(=O)c2cnn(C)c2)c(C)o1"]
["141172466","OC(=NC1CCc2c(Cl)cccc21)Nc1cc(C(F)(F)F)cnc1O"]
["24997989","CCCCN1CCC(CN=C(O)c2cc(Cl)cc3ccoc23)CC1"]
["176213311","FC(F)(F)c1ccn2ncc(-c3cc(Cl)cc(C4CCCNC4)n3)c2c1"]
["171778096","Cc1cc(Cl)cc(O)c1-c1ccc2oc(=N[C@@H]3C[C@H](O)CN(C)C3)[nH]c2n1"]
["4210626","[O-]N([O-])C1=c2cc(C(F)(F)F)cnc2=[N+]=C1"]
["147789537","NC1=c2cc(Cc3cc(F)cc(F)c3)c(=C3C=CC(=O)C=C3)cc2NN1"]
["124499243","Cc1cc(N=C(O)C(=O)NCc2cc(F)cc(F)c2)ccc1F"]
["125523217","CC1OCCC1S(=O)Cc1ccc(F)cc1F"]
["113421911","C#CCNC(CN)c1cc(F)cc(F)c1"]
["163104071","O=C(O)C1=CC(=C2C=CC(=O)C(F)=C2)NO1"]
["134606388","CC(CCS(C)(=O)=O)N=C(O)CCc1cc(F)ccc1Br"]
["63799548","COC(=O)C1=CC(=C2C=CC(=O)C=C2)Nc2ccccc21"]
["191873343","Fc1cc(F)cc(CCc2nc(-c3ccc4ncncc4c3)c(-c3ccn(C4CC4)n3)[nH]2)c1"]
["196399609","C=C1C(CC)c2cc3nc(C)[nH]c(=N[C@H](C)c4cc(N)cc(F)c4)c3cc2N1C"]
["29374051","OC1=Nc2ccc(CCc3cc(F)cc(F)c3)cc2N2CCNCC2C1"]
["150976598","O=C(O)[C@@H]1C[C@@H]1C(O)=NCCc1cc(F)cc(F)c1"]
["100080431","O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)Cc2cc(F)cc(F)c2)C1"]
["181645980","c1ccc2c(c1)Cc1c([SiH2]c3c4c(c(-c5cccc6c5Cc5ccccc5-6)c(-c5cccc6c5Cc5ccccc5-6)c3-c3cccc5c3Cc3ccccc3-5)-c3c(cc(-c5cccc6c5Cc5ccccc5-6)c(-c5cccc6c5Cc5ccccc5-6)c3-c3cccc5c3Cc3ccccc3-5)C4)cccc1-2"]
["191092099","c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2c1c1ncccc1n1c3ncccc3nc21"]
["181826196","CCCCCCCCCCCCn1c2ccccc2c2cccc(-c3c(CC(C)(C)N4CCOCC4)ccc4c3Cc3ccccc3-4)c21"]
["181290067","CC(CC(C#N)CCc1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2"]
["117137351","Cn1c(NN=C2C(=O)Cc3ccccc32)cc(=O)n(C)c1=O"]
["81867843","C=CCOc1ccc2c(c1-c1ccccc1)Cc1ccccc1-2"]
["MCULE-9487729237","COc1cc(F)c(-c2cccc3c2CCN(C(=O)c2ccc(F)cc2)C3)c(F)c1"]
["85017265","Cn1ncc(C#N)c1N1C(=O)Cc2ccccc2C1=O"]
["MCULE-8662978539","CCOc1cc(-c2cccc3c2CCCC3)c(F)cn1"]
["56003828","COCN1CCc2cccc3c2C1Cc1ccccc1-3"]
["MCULE-6696368130","N#Cc1ccccc1-c1cc(CCC(=O)N=c2cc[nH]cc2F)ccc1F"]
["107850727","C=C(c1ccccc1)[C@H]1NCCc2cccc(O)c21"]
["21944898","CCCc1[nH+]c(CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)no1"]
["2809601","Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)C2CCC2)C2CC2)o1"]
["123269973","CCCn1cc(CN(CC#N)C2CCCC2)cn1"]
["198807432","NC1CCC(N(Cc2cccc3c2CN(C2CCC(O)=NC2=O)C3=O)c2nccc(Cl)n2)CC1"]
["123498445","CCOCc1cc(CN2CCCC2c2ccc(COC)o2)ccc1OC"]
["137287788","CCOC(C)c1nc(CN(C)C(=O)C=Cc2ccc(C3CC3C)o2)cs1"]
["19682603","CCOC(=O)[C@@H]1CCCN(Cc2noc(C)[nH+]2)C1"]
["MCULE-5306765063","CCCN(CCC)c1cccc(C(=O)NC2CCCCCCC2)n1"]
["170356676","CN(Cc1nnnn1C1CCCCC1)c1noc(-c2cncc(O)c2)n1"]
["53296269","CCCNC(CC1CCCO1)C(C)(C)c1ccc(F)cc1"]
["18240435","Cc1cc(CN=C(O)[C@@H]2C[C@H]2c2cnn(C)c2)on1"]
["85433284","CCCc1nccn1C1CCOC2(CCCC2)C1"]
["173610668","[B+]=C1C=CC(N=c2[nH][nH]cc2C=O)=C(N([O-])[O-])[CH+]1"]
["171015150","CC(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])cc1C=O"]
["174560090","CC.[B+]=C1C=CC(C2NC(C)=C(CC)C(=Nc3ccc(CC(=O)[O-])cc3O)N2C)S1"]
["161438570","N=CN=c1[nH][nH]cc1C=O"]
["MCULE-7478947916","O=Cc1ccc(C=O)c(-c2cccc3c[nH]nc23)c1"]
["163314562","CSc1cccc(C=O)c1NS(C)(=O)=O"]
["194540857","O=S(=O)(N1C=CC(C(F)(F)F)=CC1)C(F)(F)F"]
["189940509","C1CCCNCC1.Nc1cc(Cl)ncc1C=O"]
["95828569","Cc1c[nH][nH]c1=NC(=O)C1=NN(C)C(=O)CC1"]
["87158502","CN(C)CCSc1ccc(C=O)c(C(F)(F)F)c1"]
["85011144","N=C(S)c1c[nH][nH]c1=NC(=O)c1ccccc1C(F)(F)F"]
["69998088","CS(=O)(=O)N=c1c(C=O)c[nH]cc1OC1CC1"]
["70079268","C[Si](C)=[O+][Si](C)=[O+][Si](C)=[Si]1O[Si-](C)O[Si]2(C)O[Si]3(O1)O[Si](=[Si-](C)(C)C)O[Si](C)(C)O[Si-](C)OC[Si]14O[Si](=[O+][Si](=[O+][Si-](C)O[Si](C)(C)C)O[Si-]5(=[Si](O[Si](C)(O3)O5)O[Si](C)([O+]=[Si](C)C)O2)C[Si-]=[O+]1)O[Si](C)(C)O4"]
["63898115","C[Si](C)=[O+][Si]12CO[Si]3(C)O[Si]45CCO[Si](C)(C)O[Si]6(C)CO[Si](C)(C)O[Si-](C)(=[Si-]7(O[Si](C)(CO[Si](C)(O[Si](C)(O4)O1)O[Si](C)(O2)O7)O5)O3)O[Si](C)=[O+]6"]
["99766068","C[Si-]=[O+][Si-](C)O[Si](C)=[Si]1O[Si-](C)O[Si]2(C)O[Si]3(O1)O[Si](=[Si-](C)(C)C)O[Si](C)(C)O[Si](C)=[O+]C[Si]14O[Si](O[Si](C)(C)O1)[O+]=[Si]([O+]=[Si](C)O[Si](C)(C)C)O[Si-]1(=[Si](O[Si](C)(O3)O1)O[Si](C)([O+]=[Si](C)C)O2)C[Si-]=[O+]4"]
["149958489","C=C[Si](C)=[O+][Si](C=C)=[O+][Si](C=C)=[Si]1O[Si-](C)O[Si]2(C=C)O[Si](C)(O[Si-](C)C=C)O[Si]3=[Si](C)O[Si](C)(O3)O[Si](O[Si](O[Si](C)(C=C)O[Si](C=C)=[O+]C)=[Si-](C)(C)C=C)(O1)O2"]
["70095521","C[Si](C)=[O+][Si-](C)O[Si](C)=[Si]1O[Si-](C)O[Si]2(C)O[Si](C)(O[Si-](C)C)O[Si]3=[Si-]45C[Si-]=[O+][Si]6(C[O+]=[Si](C)O[Si](C)(C)O[Si-](C(C)(C)C)O[Si](O1)(O2)O[Si](C)(O3)O4)O[Si](=[O+][Si](C)(C)O6)[O+]=[Si]([O+]=[Si](C)O[Si](C)(C)C)O5"]
["170586742","C[Si](C)C1=C=CC[C+]=C1[Si-](F)(C1=C[CH-]C=CC1=[Si](C)C)=c1ccccc1=[Si](C)C.C[Si](C)c1ccccc1[Si](F)(C1=CCC=CC1=[Si](C)C)c1ccccc1[Si+](C)C"]
["175562069","OCCOc1ccc(-c2cc3c(o2)=C(c2ccc(O)nc2)C=CCC=3)cc1"]
["130512723","CC(C)COc1ncccc1C(=O)N(CC(F)(F)F)c1ccccn1"]
["180170987","CC(NC1CCN(CCCCC2(C(O)=NCC(F)(F)F)C3=C(C=CCC#C3)C3=CC=CCC32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1"]
["174302522","FC1=CCC=CC(c2nc3ccn(Cc4nc(-c5ccccn5)no4)cc-3n2)=C1F"]
["171157900","C[Si](C)C1=C=CCC=C1c1cc(C2=C[CH-]C=CC2=[Si](C)C)cc(-c2ccccc2[Si+](C)C)c1"]
["98969816","C=CC(=C)N=C(C=C)C1=CN2C=C(c3ccc4ccccc4n3)CCC(C)=C2C=C1"]
["161692396","C1=CC(c2ccccn2)=CC1.C1=CC=CC=1C1=CC=C[CH-][N-]1.[Fe+2]"]
["149005248","CC(C)[Si](C1=C=CCC=C1c1cc(C2=C[CH-]C=CC2=[Si](C(C)C)C(C)C)cc(-c2ccccc2[Si+](C(C)C)C(C)C)c1)C(C)C"]
["56911646","C[Si](C)c1cccc(=[Si](C)C)c1=[Si](C)C"]
["47323177","COC1=CCC=C(OC)C1(C)c1ccccc1[Si](C)C"]
["196616842","CC([Si+]c1ccccc1)(c1cccc(F)c1)[Si](C1=C=CCC=C1)=C1C=C[CH-]C=C1"]
["183171638","N#Cc1c(Sc2c(Br)c(Sc3c(OC4CCCS4)c(OC4CCO4)c(Oc4ncco4)c(Oc4ccon4)c3Sc3ccccc3)c(Cl)c(S#[N+]N=[N-])c2C(F)(Sc2ccccc2)Sc2ccccc2)c([N+]([O-])=S)c(-c2ccccc2)c(C(=O)S)c1-c1ccccc1"]
["48037365","CCCN=C(O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CCCO1"]
["181522972","OCCOCCN1CCN(c2nc(NCc3ccc(-c4ccccc4)nc3)c3ncn(C4CCCC4)c3n2)CC1"]
["105863508","N#CCOc1ccc(/C=C/C(O)=Nc2ccccc2OC[C@@H]2CCCCO2)cc1"]
["149099215","COc1cc(C(O)=N[C@@]23C[C@@H]2CN(C(=O)O)C3)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1"]
["186986702","Cc1ncsc1-c1ccc([C@H](C)N=C(O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NCCCCCCN2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1"]
["107894615","OC(COc1nnc(-c2ccccc2)o1)=N[C@H]1CCC[C@H](C(F)(F)F)C1"]
["12255882","Cc1scc(C(O)=NN=C([O-])[C@H]2CCCC[C@@H]2C(=O)O)c1-c1ccccc1"]
["108358465","CC[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1CC)C(O)=Nc1sc(C)c(C)c1C#N"]
["196564147","C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5ccccc5OC(F)(F)F)c(Cl)c(c34)OC[C@@H]2C1"]
["59507994","O=C(NCc1ccccc1OCC(O)=NC[C@@H]1CCCO1)c1cc(-c2cccc(Cl)c2)[nH]n1"]
["19078106","O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCCOCC1"]
["187974888","N#CC(C#N)=c1nc2c(s1)c(F)c(F)c1c(F)c3c(F)c(F)c4nc(=C(C#N)C#N)sc4c3c(F)c12"]
["187974829","N#CC(C#N)=c1nc2c(F)c3c(F)c4c(F)c(F)c5nc(=C(C#N)C#N)oc5c4c(F)c3c(F)c2o1"]
["148684335","N#Cc1sc2c(Br)sc(Br)c2c1F"]
["187974835","N#CC(C#N)=c1cc2c(F)c(F)/c(=c3/c(F)c(F)c4cc(=C(C#N)C#N)oc4c3F)c(F)c2o1"]
["MCULE-9340762649","N#CCc1ccc(-c2cnc(N=C(O)c3cnc4ccccc4n3)nc2)cc1F"]
["97234218","N#CC(C#N)=c1cc(F)c(=C(C#N)C#N)cc1O"]
["MCULE-3628168547","Cc1ncccc1C(O)=Nc1ncc(-c2cccc(C#N)c2F)nc1C#N"]
["6412563","Cc1cc(C)c2c(n1)sc1c3c(c(O)nc12)[C@H](c1cccnc1)C(C#N)=C(N)O3"]
["198605380","N#CC(C(O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1)C(O)c1ccc(C(F)(F)F)s1"]
["MCULE-4288864260","COc1nc(C)nc(N=C(O)c2c(F)ccc(-c3ccc(C#N)s3)c2F)n1"]
["172343821","Cc1c(CC(O)=NCc2ccc(C#N)cc2F)c(O)nc2ccc(F)c(F)c12"]
["187974758","N#CC(C#N)=c1nc2cc3cc4sc(=C(C#N)C#N)nc4cc3cc2s1"]
["184929812","O=S1(=O)CCC[NH+]1c1cc(Cl)c(Cl)c([C+]([O-])[N-]c2cc(Cl)cc([NH+]3CCCCC3)c2)c1"]
["2395434","O=C(CC/N=C/c1cc(Cl)ccc1O)[NH+]1CCCCC1"]
["17600151","O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1"]
["MCULE-7304583859","Cc1cc2oc(=O)c(C(=O)N(C)C3CCCCC3)c(C)c2c(C)c1Cl"]
["78958712","CC1(COC(=O)c2c(Cl)c(Cl)cc(Cl)c2OC(=O)C(=O)Oc2c(Cl)cc(Cl)c(Cl)c2C(=O)OCC2(C)CCCCCCC2)CCCCCCC1"]
["18403646","O=S(=O)(c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1)N1CCCCC1"]
["19244220","Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc([NH+]2CCCCC2=[OH+])cc1.[H+]"]
["156043304","O=C(O)C1(c2cccc(C#CCN=C(O)Cc3ccc(Cl)cc3Cl)c2)CCCCC1"]
["18339137","O=S(=O)([N-]c1ccc(S(=O)(=O)[NH+]2CCCC2)cc1)c1cc(C(O)=[OH+])ccc1Cl"]
["112457981","CC(N)Cc1ccc(N2CCCS(=O)(=O)CC2)c(Cl)c1"]
["20911851","O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1)[NH+]1CC[NH+](c2cccc[nH+]2)CC1"]
["MCULE-4944610677","Cc1cc(C)c(S(=O)(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1C"]
["179651621","Cc1cccc2[n-]c(=ICCC3=CI=NC=N3)[cH-][n+]12"]
["80571503","C=C1N=[n+]2c(=[OH+])cc(Cc3ccccc3)[n-]c2=C1c1ccccc1OC"]
["106727683","Cc1cc(C)nc(N2CCC[C@@H](c3cccc(C(=N)O)n3)C2)n1"]
["80596945","C=C1C=c2[n-]c3c(c(=O)[n+]2=N1)CC[NH+](Cc1cccc(OC)c1F)CC3"]
["93859881","Cc1nc(CN(C)C(CN)c2cccc(C(F)F)c2)cs1"]
["128422361","Cc1cccc(C2CCCN2C(O)=NCC2CC=CCC2)n1"]
["195560112","CSC1=CC=C(N=Nc2cccc(C)c2C)C(C)C1C"]
["121570649","Cc1cccc(C2CCCN2C(=O)c2cccc(C(=O)N3CCCC3)n2)n1"]
["126977258","CCCC(N=C(O)C(C)S(=O)(=O)Cc1nc(C)cs1)c1ccccc1"]
["88073683","Cc1cccc2nc(-c3ccc(Br)o3)nn12"]
["139535542","Cc1csc(-c2cccc(C(=O)N(C)C(C)CS(C)=O)c2)n1"]
["105865966","CCc1nc(CN2CCN(C(=O)c3nnn(-c4ccccc4)c3C)CC2)cs1"]
["172047794","[C-]1=CN(c2ccccc2)[CH-]N1c1ccccc1.[CH2-][N+](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N(C)c1ccc(C)cc1[N+](C)(c1ccccc1)c1ccccc1.[Cu]"]
["84394488","CSCCN(C)Cc1cnn(-c2ccccc2)n1"]
["107942071","Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@H](C)C(=O)O"]
["105725857","Cc1cc(Cl)ccc1O[C@H](C)C(O)=Nc1c(C)nn(-c2ccccc2)c1C"]
["19907850","Cc1nn(-c2ccccc2)c(Cl)c1CNCc1cnn(-c2ccccc2)c1"]
["144281020","COC(CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)OC"]
["44935380","Cc1ccccc1Cn1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21"]
["19478986","Cc1nn(-c2ccccc2)c(C)c1C(O)=NCc1ccc(N(C)C)[nH+]c1"]
["14811004","Cc1ccc(C)c(Cn2c(=O)c3c(C(=O)N4CCOCC4)cc(C)nc3n(-c3ccccc3)c2=O)c1"]
["154360000","COc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)c(OC)c1"]
["57571579","CC1=C2C(=NC(=O)[C@@H](C)S[C@H]2c2ccccc2F)N(c2ccccc2)N1"]
["131998821","CC(N=C(O)c1cccc(-n2ccnn2)c1)C(c1ccccc1)N(C)C"]
["76605837","CCN1C=C(Br)C(=C2C=CN=C3C=C(C(=O)N=C4C=C(S(=O)(=O)CC)C=CC4=O)NN32)N1"]
["129689689","O=S(=O)(Cc1nccn1C(F)F)c1ccc(Br)cn1"]
["92371322","CCCC(CC(=O)N=c1cc(C(C)C)[nH][nH]1)n1ccnc1"]
["80721283","C#CCNS(=O)(=O)c1ccc(C(=O)N=C2C=NC=CC2=O)cc1"]
["144589909","[2H]C1([2H])CCN(C2CCN([C@@H](C)C(F)(F)F)CC2)CCN1c1cccc(C(=O)N=c2cc[nH]cc2)n1"]
["16036542","CCn1cc(S(=O)(=O)N2CCC[C@H](C(O)=NCc3nn(CC)cc3Br)C2)c(C)n1"]
["MCULE-4779079088","CCn1cc(-c2ccc(=NC(=O)c3cn(C)c4ccccc34)[nH]n2)cn1"]
["MCULE-9514747453","Cc1cc(O)cc(=O)n1CCCC(=O)N=c1cc[nH]cc1"]
["17155150","Cn1/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)sc2c(Cl)ccc(Cl)c21"]
["56616095","Cn1c(=NC(=O)CS(=O)(=O)c2ccccc2)sc2cccc(Cl)c21"]
["89203298","CNCc1ncc(C(=O)O)c(=O)n1C"]
["18810841","CCOc1ccc2nc(S(=O)(=O)N=C([O-])[C@]3(C)CCN3C(=O)c3cc(C)n(C)n3)sc2c1"]
["176472308","C1=CI=CC(c2ccc3c(c2)C(=c2cc4c([n-]2)=CNC=C4N2CCCCC2)N=N3)=C[NH2+]1"]
["155154011","CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1"]
["154657692","C1=c2c(N3CCCCC3)cccc2=N/C1=C1\\NNc2ccc(-c3cnccn3)cc21"]
["119545919","CC(=O)c1cccc(N=c2cc(-c3ccccc3)nc(N3CCCCCC3)[nH]2)c1"]
["83550475","OC(=Nc1ccccc1N1CCCCC1)C1CC2=NC(c3ccc4c(c3)OCO4)CC(C(F)(F)F)N2N1"]
["30579418","CCOC(=O)Cc1csc2nc(-c3ccc(F)cc3)c(-c3ccnc(N4CCCCC4)n3)n12"]
["MCULE-3525367646","COc1c(F)cccc1-c1ccc(N2CCCCC2)nc1"]
["199523525","N=c1nc(N2CC(=O)CC2=O)cc(N2CCCCC2)[nH]1"]
["MCULE-8085583651","COc1cccnc1N=C(O)c1cccc(-c2cccc(C(=O)N3CCCCC3)c2)c1"]
["170576355","CCN(CC)c1c(C#N)c(-c2ccccc2)cc(C2C=CC(N3CCCCC3)=CC2)c1C#N"]
["MCULE-1466872833","Cc1[nH]c2ccc(C(=O)N3CCCC(CN=C(O)c4cn5ncccc5n4)C3)cc2c1C"]
["160378585","Cc1nc(C(C)(C)NC(O)=Nc2ccc(N3CCCCC3)c3ncccc23)no1"]
["185340620","N#CC1=C(N=C2N=NC(N=C3N=NC(N)C3C#N)=C2C#N)N=NC1=Nc1[nH]ncc1C#N"]
["162476780","N#Cc1ccc(O)c2c1[C@H](N)CO2"]
["26952793","CN(C)c1ccc2[nH]cc(C#N)c(=Nc3cccc(Br)c3)c2c1"]
["157737116","Cc1nc(N2C[C@@H](O)[C@H](O)C2)ccc1C#N"]
["MCULE-1669925674","N#Cc1cn(-c2cccnc2N)nc1C1CCCC1"]
["176174171","Cc1c(C#N)cccc1[C@@H](C)N=c1[nH]nc(C)c2cnc(N3CC[C@@H]4[C@H]3CN4C)cc12"]
["93337228","N#Cc1cc2c(nc1OC1CCCCC1N)CCC2"]
["171017249","Cc1c(C#N)ccc(C(N)=O)c1C=O"]
["4835551","CC(C)n1ncc2c(C(O)=Nc3sccc3C#N)cc(C3CC3)nc21"]
["MCULE-7633258718","COc1cc(-c2ccc(-c3cn[nH]c3)cc2)ccc1C#N"]
["165055035","N#Cc1c[nH]nc1C(N)S"]
["171334330","Cc1c(OC2CCC(N)CC2)ccc2c1CN(C)N2"]
["175366972","N=C/C=C\\C(=C\\OC(=C/C=C/N(N)CC1CC1)/C(Br)=C/N)CN1CCS(=O)(=O)CC1"]
["126532660","O=C(CN1CCS(=O)(=O)CC1)c1c(-c2ccccc2)[nH]c2ccccc12"]
["MCULE-6942379105","Cc1cccc(C(=O)N2CCS(=O)(=O)CC2)c1-c1cn[nH]c1"]
["193481116","O=S1(=O)CCN(Cc2cc(Cc3nc4cccnc4s3)[nH]c(=NC3CCC(O)CC3)n2)CC1"]
["178591439","N=C(C=CC(F)(F)F)N1CCN(C(=O)C2CCS(=O)(=O)CC2)[C@H](c2ccc(F)cc2)C1"]
["104259933","CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CCS(=O)(=O)C3)cc2n1"]
["128258381","CN(CC1CC1)C(=O)CN1CCCN(C(=N)O)CC1"]
["163418132","O=C(c1cc2ccccc2[nH]1)N1CC2(C1)C(COCC1CC1)CCS2(=O)=O"]
["MCULE-1803762032","COCCCN(C(=O)C=Cc1ccc(C(=O)OC)cc1)C1CCS(=O)(=O)C1"]
["166359459","O=S1(=O)CCN(CC(O)=NC2CC2)CC1"]
["161494342","N=C(/C=C(\\N)C(=O)N(CCN1CCS(=O)(=O)CC1)Cc1c(Cl)cccc1Cl)C(F)(F)F"]
["158709903","O=S1(=O)CCN(C2CCN(CC3(O)CCC3)CC2)CC1"]
["181283189","CCCCC1(C(=O)OS(=O)(=O)O)C(S(=O)(=O)O)=C(S(=O)(=O)O)C(S(=O)(=O)O)C(CCCC)(C(=O)OS(=O)(=O)O)C1(CCCC)S(=O)(=O)O"]
["104842573","CCCCOC(=O)CNC[C@H]1CCCOC1"]
["6704384","CCCCC1(C)OC(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)C(=O)O1"]
["170928980","CCCCC(=O)OOC(C)(C)CC"]
["150123158","CC=CC=C(C)S(=O)(=O)C(=CC=CN(CC)CC)C(=O)OCCCCCCCC"]
["123800184","CCCCC(O)=NCc1ccc(C(=O)OC(C)(C)C)cc1"]
["182907959","CCCCCCCCCC(=O)OCCOS(=O)(=O)O"]
["96719773","CCCCCCCCCCCCCCOc1cc(C(=O)[O-])cc(OCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCC.[Rb+]"]
["15256702","CCCCC(=N\\O)/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1"]
["24677209","CCOC(=O)c1c(N=C(O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2c1CC(C)(C)NC2(C)C"]
["64673565","CCCCN(C)C(=O)c1cc(F)ccc1S(N)(=O)=O"]
["13327785","CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)N=c2[nH]nc(C3CC3)o2)cc1"]
["83936019","O=C(O)CS[C@]12C3=C4[C@@H]5C6=C3[C@]3(SCCOO)c7c1c1ccc7=c7ccc8c(c73)[C@]6(SCCOO)c3c6c(ccc3=8)=c3ccc7c(c3[C@@]65SCCOO)[C@]4(SCC(=O)O)c3c2c=1ccc3=7"]
["170523261","CCC1(OC(=O)Oc2cc([S+](c3ccccc3)c3cccc4ccccc34)ccc2OC(F)(F)F)CC2CC1C1C3CCC(C3)C21"]
["MCULE-4119461440","COc1ccc(C)cc1-c1ccc(C)cc1NC(=O)C(c1ccccc1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21"]
["145469579","O=C(O)CNCc1c(Br)cccc1Br"]
["86098169","O=C(O)CSc1nc2cnccc2n1CC1CCCS1"]
["MCULE-4159536101","COc1cc(OC)c(-c2ccc(CC(=O)O)cc2)cc1C(=O)N1CCN(CCC#N)CC1"]
["MCULE-8049836378","O=C(O)CC1C(c2cnccc2C(=O)O)C1(F)F"]
["68178795","C[C@H]([C@H](CCc1ccccc1)c1ccc(Oc2ccccc2Br)cc1)N(CC(=O)O)C(=O)[C@@H]1COC(OC(=O)O)(OC(=O)O)O1"]
["112614147","CC1(OCC(=O)O)CN(C(=O)c2ccc(Br)c(O)c2)C1"]
["59690587","COc1cccc(OC)c1C1OC(C(=O)O)C(CC(C)C)B1OCN"]
["32859050","CC(=O)OCCCSC(=O)c1ccccc1"]
["MCULE-7530727165","O=C(O)CSc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2F)cc1"]
["100418969","C=C(C)C(O)=NCCN=C(O)Cc1cc(C(C)(C)C)sc1C(C)(C)C(C)(C)c1cc(CC(O)=NCCC)c(C(C)(C)C)s1"]
["122528138","CCC(C)(CCO)NC(O)=Nc1cc(C(F)(F)F)ccc1F"]
["56558403","CC(C)(C)c1ccc(O)c(N=C(O)CN=C(O)CC2CCCC2)c1"]
["134103649","Cc1cc(C)c(CCN=C(O)Cc2csc(N=C(O)C(C)C)n2)c(C)c1"]
["139304966","COc1ccc(OC)c(CC(O)=NCCCC(O)=NC2CC2)c1"]
["63486528","CCCCC(O)=NCCNc1ccccc1"]
["152112101","CCCN=C(O)COc1ccc(S(=O)(=O)N(CC)CC)cc1"]
["MCULE-3565975174","CC(C)Oc1cccc(-c2cc(F)ccc2CC(O)=NCCc2cccnc2)c1"]
["126621821","CCCN=C(O)CN(C)C(=O)CNc1cc(CS(C)=O)ccc1Cl"]
["119756488","COCCN=C(O)CN(Cc1cccc(C)c1)S(C)(=O)=O"]
["144374967","CCCN=C(O)C1CCN(C(=O)CCc2cc(C)cc(C)c2)CC1"]
["56494517","CCCN=C(O)c1cccc(C)c1N=C(O)C(N=C(O)C1CCN(CC(O)=Nc2cc(C(O)=NC)ccc2Cl)CC1)C(C)C"]
["48113680","Cn1c(=O)c2ccc3c4ccc5c6[cH-]c[c-]c7c6c(c6[cH-]cc(c8ccc(c1=O)c2c38)c4c65)[CH+]C=C=7.[Y].[Y]"]
["173961949","Cn1c(=O)c(C(O)=Nc2ccc(F)cc2)cc2c(N)cccc21"]
["44777884","Cn1c(=O)c2cc3ccc4cc5c(=O)n(C)c(=O)c6cc7ccc8cc(c1=O)c2c1c3c4c(c56)c7c81"]
["197176138","Cc1c(Cl)c2c(C)ccc(F)c2n(C)c1=O"]
["161273429","Cn1c(=O)c2ccc3c4ccc5c(=O)n(C)c(=O)c6cc7c8c9cc%10c(=O)n(C)c(=O)c%11cc%12c%13c%14cc%15c(=O)n(C)c(=O)c%16ccc%17c%18ccc%19c(=O)n(C)c(=O)c%20cc(c%13c%13cc%21c(=O)n(C)c(=O)c%22cc(c8c8cc(c1=O)c2c3c8c7c4c56)c1c9c(c%10%11)c%12c%13c1c%22%21)c(c%18c%19%20)c%14c%17c%16%15"]
["54669943","[C+]#[N+]c1cc2c(=O)n(C)c(=O)c3cc(C#N)c4c5c[cH-]c6c(=O)n(C)c([O-])c7ccc(c1c4c32)c5c76"]
["192227454","CCCN(CCC)c1nn(C)c(=O)c2c1ccn2-c1c(C)cc(C)cc1C.CCCN=c1[nH]n(C)c(=O)c2c1ccn2-c1c(C)cc(C)cc1C"]
["185991748","CCCCCCCCCCCCC(C#Cc1cc(N)c2nc3c4ccc5c6ccc7c(=O)n8c9cc(C#CC(CCCCCCCC)CCCCCCCCCC)cc(N)c9nc8c8ccc(c9ccc(c(=O)n3c2c1)c4c95)c6c78)CCCCCCCCCC"]
["4685491","CC(C)CN(C(=O)c1ccccc1Cl)[C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1C"]
["184322558","CC1=CC2C(C=C1)C2Oc1ccc(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)cc1"]
["171763492","Cc1c(O)cccc1Cc1cc2c(=O)n(C)c(=O)n(CC(C)C)c2s1"]
["184037019","CN1C(C)(C)c2cccc(Nc3ncc4c(=O)n(-c5c(F)cccc5Cl)c5nccn5c4n3)c2C1(C)C"]
["96551158","C[N+](C)=C1C=CC(=C2C=C3C(Cl)=NC=CN3[B-](F)([F+])O2)C=C1"]
["159405262","CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)N1C(=C2C=CC(=[N+](C)C)C=C2)N(C)c2ccccc21"]
["71822","Cc1cc2nc(Cl)n(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1C"]
["110918155","CCN1C(=CC2=C(O)C(=C3C=CC(=[N+](C)C)C=C3)C2=O)Sc2ccccc21"]
["198115351","C=N/C(=C1/C=CN(SI)/C1=N/CCl)c1cn(C)c2cc(F)c(F)cc12"]
["54923499","CCOC1=CC(=CC=CC=C2C=CC(=[N+](C)C)C=C2)Sc2ccccc21"]
["11453583","CN(Cc1c(F)cccc1Cl)C(=O)Cn1ccc(=[N+](C)C)cc1"]
["191766721","CN1C=CSC1=C1C=CC(=[N+](C)C)C=C1.CN1C=CSC1=C1C=CC(=[N+](C)C)C=C1.O=C([O-])[O-]"]
["144107259","Cc1cc(CN2CCN(C(=O)c3ccc(-n4cccn4)c(F)c3)CC2)no1"]
["173532424","CC1CC=C2C(Cl)=NC=CN2C(N2CCCC(C(F)(F)F)C2)=N1"]
["96769559","CCCCCCOc1ccc(/C=C/c2ccc(C3=C(O)C(=C4C=CC(=[N+](C)C)C=C4)C3=O)cc2)cc1"]
["112553461","CC1OCCC1(C)n1c(CCl)nc2cc(Cl)c(F)cc21"]
["156275841","CC1C=CC2(C)C=CN3C4=C(CN(C)CC4)C4=CC(C)(C)C1=C2C43C"]
["27204181","COc1ccc2c(c1)CC1Cc3ccccc3CCN1C2"]
["108647869","CN1Cc2cc3c(cc2C1)[C@H](CCN)N(C)CC3"]
["91009653","Cc1oc2c(c1C)CCN(C)C2.Cl"]
["106470664","CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1(C)C"]
["160916486","CCC1(CC)C(N=C(O)N2CCCc3c(cnn3C)C2)C(C)C1OC"]
["196600101","CC.COc1cccc2c1CN(C)CC2"]
["175514951","CC1CCN(c2ncccc2C(O)=NS(=O)(=O)c2cccc(N3CCc4ccc(F)cc4C3)n2)C1(C)C"]
["7725570","CN1CCC2=NC(=S)[C@H](C#N)C(/C=C/c3ccccc3)=C2C1"]
["8817615","CCN(CC)CCn1c(N=C(O)[C@H]2CS[C@@]3(C)CCC(=O)N23)[nH+]c2ccccc21"]
["184331179","CC1C=CC(C(C)C)=C(N2CCSC2C)C1"]
["31545609","CN=C(O)C1(CC2C3=C(CN(C)CC3)c3cc(C)ccc32)CCCCC1"]
["199940092","C=C(/C=C(\\C=C\\C1=NCCN1)C1=NCCN1)N=C(O)NC(/C=C/C1=NCCN1)=C/C(=C)C1=NCCN1"]
["57555932","c1ccc(C2(c3ccccc3)C[C@H]2C2=NCCN2)cc1"]
["160995196","CC1CCCc2ccccc2C1NC(O)=N[C@@H]1CCCNC1"]
["74966690","CN(N=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccccc12)C1=NCCN1"]
["187508440","C=C/C(=C\\C(=C/C)C(O)=NCCC(C)C)Nc1ccc(C(O)=NC2=NCCN2)cc1C(=C)C"]
["184904735","C=C/C(F)=C(\\C=C)N/C(C)=C(C)/C(=C\\C(=C)c1ccc2c(c1)N(C1CC(CCC)C1)C(=O)C21CCNCC1)N=CCC"]
["68472511","CN=C(O)c1ccc(N=C(O)Nc2ccc(C3=NCCN3)cc2)cc1N=C(O)Nc1ccc(C2=NCCN2)cc1.Cl"]
["31290504","CN(CCc1ccc(C2=NCCN2)cc1)C(=O)OC(C)(C)C"]
["52326419","[O-]/N=C(/N=NO[O-])C1=NCCN1"]
["851397","Cc1cccc(Cc2cnc(NC(=O)C3=NCCN3)s2)c1"]
["101554234","O=C(Nc1ccc(F)c(Cl)c1)C1=NCCN1"]
["19033940","C[C@H](NC(=O)C1=NCCN1)c1ccc(F)cc1"]
["191601975","C=[N+]1C2=C=CC1=C(C)c1ccc(n1C)C(C)=C1C=C=C([C-](C)c3ccc2n3C)N1C"]
["66271337","CC1=C(C)C(C)=C(C)C(C)C1=[C-]C1=C=CC2=C(C)C(C)=C(C)[C-](C)N12.[V].[Y]"]
["74370710","CCOC(=O)C/C1=C/C(Br)=C\\c2ccccc2S[N+]1=O"]
["MCULE-3740232645","CCCCn1c(C)cc(C)c(CN=c2cc(-c3ccccc3)nc[nH]2)c1=O"]
["179054260","COc1cnc2c(c1)N(CCCC1CCC(NCc3cc4c(cn3)OCCO4)CC1)C(=O)C=C=C2"]
["68718205","CSc1ccc(-c2ccc3n2CC(C(=O)O)C3)n1C"]
["189267027","C[C@@H]1Cc2cc([PH](C)(C)O)ccc2[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(C)(C)F"]
["76842219","COC1=C(C)C(c2ccc(C)n2C)=NC1=Cc1c(C)c(C)c(C)n1C"]
["122089916","Cc1cccc2nc(CN=C(O)CCc3ccccc3Cl)n(C)c12"]
["MCULE-5701167338","Cn1c(C=O)ccc1-c1cn(C)c2sccc12"]
["153325495","C[C@@H]1C=C2OCOC2=C(CCn2nccc2C(O)=Nc2ccc(Cl)cc2)C1"]
["59822896","C=CCn1c(=Cc2cccc[n+]2CC=C)s/c(=C2\\Sc3ccccc3N2C)c1=O"]
["100908447","O/N=C/C1=C[CH+]C(=[O+][PH2-]2(Oc3ccc(/C=N/O)cc3)[N-][PH2-](Oc3ccc(/C=N/O)cc3)(Oc3ccc(/C=N/O)cc3)[N-][PH2-]([O+]=C3C=CC(/C=N/O)=C[CH+]3)([O+]=C3C=CC(/C=N/O)=C[CH+]3)[N-]2)C=C1"]
["172972943","CCOC(=O)[C@H](Oc1ccc(/C=N\\O)cc1)C(C)C.CCOC(=O)[C@H](Oc1ccc(CN=C(O)OC(C)(C)C)cc1)C(C)C"]
["152827923","CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)=O)cc1"]
["13435582","COc1ccc(/C=N/N=C(O)c2c(C)nc3sccn23)cc1"]
["172953118","CC(=O)c1ccc(/C=C/c2ccc(/C=N/O)cc2)cc1"]
["MCULE-9169121171","COc1ccc(CCc2nnc(SCC(O)=Nc3nccs3)n2N=Cc2ccc(O)c(O)c2)cc1"]
["4273982","CCOc1ccc([C@H]2[NH+]=NC(=S)N2/N=C/c2ccc(OC)cc2)cc1"]
["70456341","Cc1nc(=S)n(CC(O)=NN=Cc2ccc(OC(=O)CC3SC(=O)N=C3O)cc2)[nH]1"]
["181741721","CCOc1ccc(C=NC2(C(=O)O)CC2)cc1"]
["109093355","OC(CSc1nnc(-c2ccccc2)s1)=N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1"]
["168584844","Cc1ccc(NC(O)=N/N=C/c2ccc(O)c(I)c2)cc1C"]
["154365183","OC(=N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1cccc(Br)c1"]
["175187066","[B+]C1([B+])CN(C([B+])([B+])C([B+])([B+])OCC[O-])CC([B+])([B+])N1C1=c2[cH-][cH-][cH-][cH-]c2=S=C2[CH-][CH-]CC=C2[N-]1"]
["76007622","COc1ccc2c3c1O[C@H]1C(OC(=O)C(O)C(O)C(O)=NC(C(=O)O)C(C)C)=CC[C@](O)(C31)C1(C2)CN1C"]
["175761515","[B]C([B+])([B+])C([B+])([B+])OC1=C[N-]C(C(O)=NC2=NC([C@H](C)C(F)(F)COC(=N)N)=C(F)[CH-][CH-]2)=C([NH-])N1"]
["108243345","COCCn1cc2c(n1)[C@@H](CN=C(O)c1ccnnc1)OCC2"]
["193956306","CCCCOc1cc2c(cc1Cl)-c1cc(=O)c(P(=O)(O)O)cn1C(C(C)(C)C)C2"]
["175187075","[B+]C([B+])(OCC[O-])C([B+])([B+])N1CCN([C-]2[N-]c3ccccc3S[C-]3C=CCC=C32)CC1"]
["185763637","CN=C=C1C(=[F+])C=CC=C1OCC(COCOC)C1CC=CCCCC1"]
["180637770","C=N[C@]12C=Nc3cc(OCCCCCOc4cc5c(cc4OC)C(=O)N4CC(C)(C)C[C@H]4C=N5)c(OC)cc3C(=O)N1C=C(C)C2"]
["126331108","CCc1ncsc1C(O)=NCC(C)(C)N1CC(C)OC(C)C1"]
["175182810","[B]C([B+])([B+])c1nc(N=C(O)N2CCC[C@H]2C(=N)O)sc1C1=CC(C2(C)CC2)[N-][C-]=C1"]
["173709005","[B+]C1([B+])CC2=CCC[C-]=C2C([B+])([B+])N1C[C@@H]([O-])CN=C(O)CC=C1[N-]C2=CCCC=C2[N-]1"]
["176493980","[B+]C1([B+])CN(C2=[C-][N-]C(N)=CC2)CC([B+])([B+])N1[C-]([O-])OC(C)(C)C"]
["198796476","[3H]C(=O)NC=C(C#CC)[CH+]c1[c-]c(NC)ncn1.[W]"]
["91155933","CN1C=CN(c2ncnc3[nH]c[nH+]c23)C1"]
["9761778","CC(O)=Nc1ccc(Nc2ncnc3ccsc23)cc1Cl"]
["194678458","C/C(I)=C\\c1c(C)ncc(C(F)(F)F)c1Cl"]
["93870934","CC#CCCNCc1cccn1C"]
["148754278","CC#Cc1ccc(C(=O)Nc2ccc(Cl)c(/C(C)=N/[S@](=O)C(C)(C)C)c2)nc1"]
["176192532","CNc1ccc(C(C)c2ccn(-c3ccc(O)cn3)n2)cc1SC=O"]
["51934329","CN(CCC(F)(F)F)c1ncnc(Cl)c1C=O"]
["185554974","CC#COc1ccccc1C=C(C)[N+](=O)[O-]"]
["87994575","Cc1ncnc(-c2cc(Cl)ccc2F)c1C(=O)O"]
["175181384","CC.CNc1scc(-c2ccc(Cl)cc2)c1C(=O)O.O=Cc1cc2ccccn2n1"]
["148431765","CCCc1cc(N[C@H](CC(C)C)C(=O)O)n2ncnc2n1"]
["171089751","FC(F)(F)COc1ccc(C2CC[Si-](C3CC[Si+](C4CC[Si](Cl)CC4)CC3)CC2)cc1"]
["12687126","C[C@@H](COCC(F)(F)F)N=C(O)N1CCC[C@H]1c1ccc2c(c1)OCCO2"]
["MCULE-7826102594","COc1ccc(C2CN(C(=O)C(C)C)C3CCN(Cc4ccc(C)cc4)CC23)cc1"]
["9498704","OC[C@H]1CCC[NH+]1CCOCC(F)(F)F"]
["158157667","Cc1cscc1C(O)=NC[C@H]1CCc2nc(C(F)(F)F)cn2C1"]
["111729876","N#CC(COc1ccc(CO)cc1)C(F)(F)F"]
["122030628","CC(C)C1C(O)=NCCN1CCCOCC(F)(F)F"]
["58615581","O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(COCC(F)(F)F)cc2)CC1"]
["165473421","NS(=O)(=O)c1ccc(N2CCC(COc3ccccc3)CC2)c(C(F)(F)F)c1"]
["MCULE-5325738072","CCCOc1ccc(C2C(C(O)=NCCCCCO)=C(N)Oc3c2c(C)nn3CC(C)C)cc1"]
["67158423","Clc1nccn2c(CCC3CCCC3)nnc12"]
["148401012","O=C(O)CCN=C(O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1"]
["47185916","[Pt].[c-]1c2cccc1CN1C=CN(CC3=CC=C[C-](Cn4cc[n+](c4)[CH-]2)[N-]3)C1"]
["64442591","COc1ccc(NC(O)=Nc2cccc3c2O[C@@H](CN(C)C(O)=Nc2ccc4c(c2)OCO4)[C@@H](C)CN([C@H](C)CO)C3=O)cc1"]
["47941833","CN1Cc2[c-]c(ccc2)-c2c(ccc3ccccc23)N(C)Cc2[c-]c(ccc2)-c2c1ccc1ccccc21.[Pt+4]"]
["176892287","C=CN(C=[NH+]C)CCSSCCn1cc[n+](C)c1"]
["194810018","CC1=C[C-]2C=CC=C(CN(C)Cc3cccc(n3)C1)[N-]2.O=C(c1ccccc1)N1CN(C(=O)c2ccccc2)c2ccccc21.[Cu]"]
["24527298","O=C1CC(N2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N1c1cccc(Cl)c1Cl"]
["178765050","CCC1=CC=CC2NC(c3cccc(F)c3Cl)=C(Nc3ccc4c(c3)OCCO4)N12"]
["149627788","N=C(O)C1C=C2CN1C=C1C=CCN1C=CC=CC=CC=c1cccc3c1=CN(CO2)C3"]
["63588002","Clc1cccc2c1CN(Cl)N=N2"]
["101249044","C[n+]1ccn(-c2cccc3c2N2Cc4cccc(-n5cc[n+](C)c5)c4N(C3)C2)c1"]
["75742121","CC1=C/C(=N\\c2ccc([NH+]3CCC(n4cc[n+](C)c4)C3)cc2)C([NH-])=C(Cl)C1=O"]
["76376359","CN1C(=O)C2=NC(N3CCN(C4CC(=O)N(c5cccc(Cl)c5Cl)C4=O)CC3)=NC2=[N+](C)C1=O"]
["191127496","C=C1/C(=C/C=C(C)C)C[C@@H](O)C2=CCO[C@H]12.C=C1/C(=C\\C=C(C)C)C[C@H]2OCC=C2[C@@H]1O.CC(C)=C/C=C1\\C[C@@H](O)C2=CCO[C@@H]2C1"]
["154188472","C=C1C(=O)O[C@H]2C[C@]3(C)C(=C(C)CC[C@H]3O)[C@H](OC(=O)/C(C)=C\\C)[C@@H]12"]
["173561760","CC(C)=CC=NC1=C(N)CC=C1"]
["SN0177160-15","C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)[C@@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12"]
["CNP0389568.2","C=C1C(=O)O[C@@H]2/C=C(\\C)CC/C=C(/C)C[C@@H](OC(=O)/C(C)=C\\C)[C@@H]12"]
["60518120","CC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1"]
["194935162","CC(=O)OC1=C2CC(O)C(=O)C(CC=C(C)C)=C2OC(C)(C)C1"]
["151376644","C=C1C(=O)O[C@@H]2/C=C(\\C)C[C@H](O)/C=C(\\C)C[C@H](OC(=O)/C(=C\\C)CO)[C@H]12"]
["5746671","C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3[C@H](O)[C@@]21C"]
["154014501","C=C1C(=O)O[C@@H]2/C=C(\\COC(C)=O)CC/C=C(\\CO)C[C@H](OC(C)=O)[C@@H]12"]
["45942641","C=C1C(=O)O[C@H]2/C=C(/C)C3=CC(=O)C(C)(C[C@@H](OC(=O)/C(=C/C)COC(C)=O)C12)O3"]
["172435770","CC1CN(c2ccc(N/C=C3\\CN=Cc4ccc(-c5ccoc5)cc43)cc2)CC(C)N1"]
["179678966","O=[C-][N+](CCC[O-])=C1C=C=C(N2[CH][N-]OCC2)C=C1.[Tl].[U+2]"]
["64897898","CCCCCN(CCCCC)N1CCOC1=O"]
["93869179","O=C(CCn1cnc([N+](=O)[O-])c1)N1CCOCC1CO"]
["20273733","CC(C)[C@@H](C[NH2+]c1ccc([N+](=O)[O-])s1)N1CCOCC1"]
["33685713","O=Cc1cc([N+](=O)[O-])cc(CN2CCOCCOCCNCCOCCOCC2)c1O"]
["148538728","C[N+](C)=c1ccn(C(=O)N2CCOCC2)cc1.[Cl-]"]
["17032466","CCCN1CCN([C@H](C)C(O)=NC(O)=[NH+]c2ccc3c(c2)OCCO3)CC1"]
["123200695","COCC(C)n1c(C)cc(C(=O)CN2CCOCC23CCC3)c1C"]
["19843518","C[C@@H](CNc1ccc([N+](=O)[O-])s1)N1CCOCC1"]
["128124197","CC(CN1CCOCC1)OC(=O)C(C)C"]
["21087898","CCN1CCN(C2=C([N+](=O)[O-])[NH+]=C[NH+]2C)CC1"]
["46661847","Cc1ccc(C(CN=c2[nH]cc([N+](=O)[O-])c(=N)[nH]2)N2CCOCC2)cc1"]
["161782362","CCN(CC(C)(C)CC[Si](OC)(OC)OC(CCC(C)(C)CN)C(OC)OC)[SiH2]C"]
["25206594","CCC(CCN)[Si](OC)(OC)OC"]
["159476962","CCOC(CN=C(S)N(CC)C(C)(C)C)OCC"]
["79080561","CO[Si](CC(C)OC(=O)CN)(OC)OC"]
["145526436","CCCCC(OC(C)C(C)(N)C(C)OC(CCCC)[SiH2]OC(C)(C)C)[SiH2]OC(C)(C)C"]
["174878655","CCOC(=O)C(CCN)N(CC)CC"]
["183096357","CC(C)(CN)CCCCOc1cccc(OCc2ccccc2)c1"]
["95008730","CCOCC(C)(CN)N(C)CC"]
["111893020","CCCCCC(C)(CN)N1CCC(OC)C1"]
["128150824","CCN(c1ccc(N=C(O)C(=O)NCC(C)(C)CCOC)cc1)C(C)C"]
["173808475","CCC(CC)CC[Si](OC)(OC)OC.N=C(O)S.N=C(O)S"]
["172105291","CCN(CC)C([Si]CC[Si](OC)(OC)OC)N(CC)CC"]
["168509269","CC1=CC(C)=C2[Si+]=C3[P-]C(=C(C)C=C3C)[Si-]=C3P=C([Si+]=C1[P-]2)[C+](C)C=C3C"]
["179485480","C=I1=CC=C(C)C=C1C"]
["81072495","[CH2-]C(=O)N1C(=O)C=C(C)C(=NNC)C1=O.[Y+3]"]
["97445021","CC1=CC(C)=C2CC=C=C[C-]2C1=C=C1c2ccccc2C(C)=C[C+]1C"]
["24304798","C=C1[C](C)C(C)=CC(C)=C1C.[Cl-].[Mg+]"]
["184477096","CC1=C[C+](O)C=C(C(=O)[CH+]c2ccccc2)C1"]
["50419040","CC1=CC2=C(C)C=C1B2O"]
["161101868","CN1C(=O)CCC(N=C(O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)C1=O"]
["195118142","C.CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C"]
["70402158","CC(C=O)=CCCC(C)C1=CC(=O)C(C)=CC1=O"]
["29909651","CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CN=C(O)CSc5ccccc5)CC[C@H]4[C@@H]3CC[C@@H]12"]
["91091422","CCC(=O)c1ccc2c(c1)C(=O)C=C(C)C2=O"]
["150035027","C=C(CCNC(=C)N(C)F)CCC(C)=C(C)C(C)=[N+](C)C(=C)C1=CCC=CNC1"]
["109807368","Cc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1NS(C)(=O)=O"]
["126222167","CN(CC(F)(F)F)C(=O)CCNC(=O)c1ccco1"]
["45028982","[3H]OC(/C=C/[C@H]1C2=CC(O)O[C@H]2C[C@H]1O[3H])CCC(CC)O[3H]"]
["146727608","CC(O)=NCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C(C)C(=O)O"]
["176745403","C=C/C(SF)=C(/C)N(C)/C(=C\\C(=C)c1ccccc1C)NCCCCNC(=C)/C(C)=C/c1ccccc1C"]
["170638866","CCC(O)CNCC(=O)C1=CC=CNCC1=S"]
["104752277","C[C@H](NCCC(=O)N(C)C)c1nc2ccccc2s1"]
["119031096","C=C(C)CNC(=N)NCCc1c(F)cccc1Cl.I"]
["180645207","C/C=C(/C)N=CN=C(O)NC1=CCC(c2c(C(O)=NC(C)(C)C)cn3[nH]cnc(=N)c23)C=C1F"]
["168899380","C[C@@H]1N[C@@H](CCNCC2=CCC=C2)[C@H](O)[C@@H]1O"]
["195886795","C=CN=C(NNC)C1=CCC=CC=C1c1ccc(CN(C(=O)CCCC)[C@H](C(=O)O)C(C)C)cc1"]
["44825620","C=C(CCC([O])=O)CC(=C)CC(=C)C([O-])=C=C([O-])C(=C)CC(=C)CC#CC(=C)C(=O)C(=C)C(=O)CC1=[O+][C@]([CH2+])([C@@H]2CC[C@]([CH2+])(C(=C)[O-])O2)CC1"]
["12734106","CC(C)=C1CC[C@@]23C[C@@H](O[C@@H]2O)[C@@](O)(C(=O)[O-])CC[C@H]13"]
["45987039","C=C(c1ccc(Cl)cc1)C1COC2(CCC(=CC(=O)OCC)CC2)OO1"]
["156791777","Cc1c(C(=O)N[C@@H]2CCC[C@]2(C)CO)[nH]c2c1C(=O)CC(C)(C)C2"]
["31087694","CCN=C(O)Nc1sc(-c2ccc(C(=O)O)cc2)cc1C(=O)N1CCC(N2CCCC3(C2)CC(C)(C)OC3=O)CC1"]
["101075715","COC(=O)[C@@H]1C2CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)/C=C3\\O[C@]1(C)/C1=C/C[C@](C)(O)[C@H]4CC[C@](C)(O4)[C@H](O)CC/C(C)=C/[C@@H]1[C@H]32"]
["99454792","C[C@]12CC/C(=N/OCCN)CC1/C(=N\\O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]
["166579716","C=C/C=C1/O[C@@H](CCC(=O)[O-])CN(S(=O)O)/C1=C/C=C"]
["176297071","C=CC(=O)C#CCCCCC(=O)C#C[C@H]1C(C)OC[C@@H](OC(=O)CCCCOC(=O)C=C)[C@@H]1OC(=O)CCCCOC(=O)C=C"]
["8434922","O=C([O-])CC[C@]12CCC[C@@H]3CCC(=O)N(c4ccccc41)[C@@H]32"]
["84323504","CC1(C)C2CCC1(C)C(NC(=O)c1ccc(CN3CCCC3=O)cc1)C2"]
["191301808","Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1"]
["99853010","CCC1CC2CC1CC2[Si]1(C)O[Si](C)=[O+][Si](C)(CCC2CC3CC2CC3[Si]2(C)O[Si](C)O[Si-](C)(=[Si-]3(C)O[Si](C)=[O+][Si](C)=[O+][Si-](C)O3)O[Si](C)=[O+]2)O[Si-](C)O1"]
["171374816","CCC[Si]1(C)O[Si](C)=[O+][Si](C)=[O+][Si-](C)O[Si-](C)O1"]
["47685827","C=C(C)C(=O)OCCC[Si]1(C)O[Si](C)=[O+][Si](C)(CCCOc2ccc(OCCC[Si](OC)(OC)OC)cc2)O[Si-](C)O1"]
["168568844","C[Si]1O[Si](C)(CCCOc2ccc(C(C)(C)c3ccc(OCCC[Si]4(C)O[Si](C)=[O+][Si-](C)O[Si-](C)O4)cc3)cc2)O[Si](C)=[O+][Si](C)(C)O1"]
["50843406","CCCC(C)CC[Si]1(C)O[Si](C)=[O+][Si](C(C)CCCC[Si-]=[O+][Si-][O+]=[Si-]C(CCC)CC[Si]2=[O+][Si-](C)[O+]=[Si](C)O[Si-](C)O2)=[O+][Si-](C)O1"]
["100255898","CCCCCCCCC(C)[Si]1(C)O[Si](C)OCCCC(CCCCCCC)[Si]2(C)OC3C[Si](C)(OP(O[Si](OC)(C(CC)CCCCCCC)O2)O[Si]3(OC)C(CC)CCCCCCC)O1"]
["178875628","CCC1CC2CC1C[C@@H]2COC1CCO1"]
["183473028","Cc1ccc(C2CC3CC2CC3CCCCC2CC3CC2CC3N=[N+]=[N-])cc1C1CCCCC1"]
["91104066","C[Si]1O[Si-](C)[O+]=[Si](C)O[Si](C)(CCCO)O1"]
["184277633","CCCCC1CC2CC1C1SC(=S)OC21"]
["154704567","C[Si]1(CCC2CC3CC2CC3O)O[Si](C)(CCC2CC3CC2C2OC32)O[Si](C)(CCC2CC3CC2CC3O)O[Si](C)(CCC2CC3CC2C2OC32)O1"]
["61809436","C[Si]1=[O+][Si]2(C)O[Si-](C)O[Si](CCCN)(O1)O2"]
["195774376","O=[Si]1O[SiH]([O+]=[Si+]O)O[Si]2=[O+][SiH2]OC3[SiH](O2)O[SiH]3O[Si](O)(N=[OH+])O1"]
["183978193","CCC(N)(N)C(=O)c1ccc(OC2C=CC=CO2)cc1"]
["149655155","CC1=CC=C(c2nnc(C34CCC(N=C(O)c5ccncn5)(C[N+]5=CC5C3)C4)o2)C=CCC1C"]
["81490741","CCC(N=C(O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1C(C)N)C(=O)N1CCC1"]
["88900895","CCOC(=O)c1nc(-c2noc(CN)n2)oc1C"]
["180371014","COc1ccc(-c2nc(C(O)=NC3(C(O)N4Cc5cccc(F)c5C4)CC3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12"]
["169367853","O=C(O)c1ccc(N(c2ccc(-c3csc(=NCC4CCCO4)[nH]3)cc2)c2cccc([N+](=O)[O-])c2)cc1[O-].[Na+]"]
["81490106","COc1ccc(-c2nc(C(=O)N3Cc4cncnc4C3)c(C(C)N)o2)c2ccc(C(F)(F)F)nc12"]
["91549468","CC(C)(C)C(=O)N1OC2C=CC1CC2"]
["176626040","CCOC(=O)/C=N\\N1C(=O)C(N)CC12CCOC2"]
["27955794","COc1ccc(-c2nc(C(=O)N3Cc4cncnc4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12"]
["27582085","CC[C@H](N=C(O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N)C(=O)N1CCC1"]
["180563204","CCCCC(CCCCNC(O)OONC(C[O-])OONC(O)CC)NN.[Os+]"]
["113345243","CCCOCCNC(CO)Cc1ccccc1"]
["174705391","CCCCCCCC(O)CCCC.O=S(=O)([O-])[O-].[Zn+2]"]
["174595371","CCCCC(NCC)ON=O"]
["147397881","CCCCC(O)C#CC(OCC)OCC"]
["20524423","CCCC[C@H](CC)C(O)=NCCCCNc1cccc[nH+]1"]
["120472900","CCCCOCCC(CCC)NCC"]
["191458766","CC(O)CCO.CCCCC(O)CO"]
["149995673","CCCCCCCCC(O)[C@H](O)[C@@](N)(O)[C@H](O)[C@H](O)CO"]
["43655368","CCCCN(C(=O)CCOc1cccc(N)c1)C(C)CC"]
["79465491","CCCC(CO)C(N)(C(CO)CCC)C(CO)CCC"]
["174588080","CCCCCCCC(Cc1ccc(Cl)c(Cl)c1)NC(=N)NC(=N)N"]
["178118969","CCCC(=O)c1c(CC)c2c3c(c4c5c(c6c7c(c8c9c(c1c1c8c6c4c21)C[NH2+]C9=O)CNC7=O)CNC5=O)CN=C3O"]
["85883734","CCc1nc(C(=O)N(CC(=O)O)C2CCCC2)n[nH]1"]
["27763285","CCN(C1CCN(C)C1)S(=O)(=O)c1ccc2nc(O)c3[nH]cc(C(=O)O)c3c2c1"]
["102906217","CCOC(=O)C1CN=C(O)c2ccccc21"]
["76087089","CN[C@H]1C[C@@H]2O[C@@](C)(C3c4ccccc4-c4c5c(c6c7ccccc7n2c6c43)C(O)=NC5)[C@H]1OC"]
["74320886","CCN(CC)CCCNCc1ccc2[nH]c(-c3cc(OC)c(OS(C)(=O)=O)c4c3C(O)=NC4)cc2c1.Cl.Cl"]
["MCULE-4008558876","COC(=O)Cc1cc(O)n2nc(C3CC3)c(-c3cc(CC(C)C)ccn3)c2n1"]
["177991489","C=CC(=O)N1CCCC2(CCN(c3nc(-c4cnn(C)c4)c4c(c3F)CN=C4O)C2)C1"]
["113126214","C#CC(CCC)Nc1nnc(CC)c(CC)c1C(=O)O"]
["168317488","O=C(c1cccc(CC(=O)c2cccs2)c1)c1ccc2[nH]c(O)c(C=NC3=NCC=C3)c2c1"]
["169809898","CCCN(CCC)C1CCc2c(ccc(O)c2OC2CC(O)C(O)C(C(=O)O)O2)C1"]
["57131189","CN(Cc1cnn(C)c1)C(=O)CC#N"]
["166676711","Cc1ccc2c3ncc(C)c4c5c(C)c(C)c6c(C)c7c(C)c8c9c(C)c(C)cnc9c9ncc(C)c%10c%11c(C)c(C)c%12c(C)c%13c(C)c(c2c1C)c(c34)c1c%13c2c%12c%11c(c7c2c6c51)c8c9%10"]
["25659670","Cc1cc2ccc3c(C)c(C)cnc3c2nc1C"]
["87956055","Cc1ccc2c(CBr)cc(C(C)C)nc2c1C"]
["MCULE-1143369921","Cc1ccc2c(C)cc(C=CCc3ccccc3)nc2c1C"]
["114663833","Cc1ccnc(SC(C)C(C)O)c1Br"]
["174880169","Cc1ccc2c(c1C)c(C)c(C)n2-c1ccc(Br)cc1"]
["MCULE-2158215551","CCOC(=O)c1cnc(-c2cccc(C)c2)[nH]c1=Nc1ccc(Br)cc1C(=O)O"]
["54015578","COc1nccc2c(S(C)(=O)=O)c(C(=O)O)cnc12"]
["101829666","CCN(CC)CCN(C(=O)c1ccccc1I)c1nc2c(C)c(C)ccc2s1.Cl"]
["199132109","Cc1nc2nc(N3CCC(C#N)CC3)ccc2c(C)c1Br"]
["174768167","Cc1cnc(S)nc1C.c1c[nH]nn1"]
["MCULE-1861543091","Cc1cccc(-c2ncc(C(=O)O)c(=Nc3ccc(C)cc3C(=O)O)[nH]2)c1"]
["99735495","[B+]=C1C=CC=CC1=S=C1C(=O)Oc2cc3[n+](c(=O)[c-]2C1=[OH+])[C-]1C=CC(C(F)(F)F)=C[C-]1C3(C)C"]
["46289697","CC1=CC(C)(C)C(=Nc2ccccc2C(F)(F)F)O1"]
["178534032","CC(C[C@H](O)CN1CCN(C2(C)C=CC(C(F)(F)F)=CC2)CC1)c1ccc2c(c1)CCC(O)=N2"]
["173926289","[B+]C1C([B+])([B+])C(O)=NC(=O)C1([B+])N1C=C2C=C(C([B+])([B+])N=C(O)C(F)(F)[c-]3[cH-]cc(Cl)[cH-][cH-]3)C=C[C-]2C1[O-]"]
["152889790","Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3c4ccccc4Sc4ccccc43)n2)cc1"]
["27522426","C[C@@H](C(=O)O)c1ccc(Nc2nc(C(F)(F)F)co2)cc1"]
["97953819","CC1(N=O)C=CC2=C(C(F)(F)F)c3ccc4cc(O)ccc4c3OC2=C1"]
["69910345","[C-]#[N+]c1ccc(N2C(=O)C3C(C2=O)C2(CCOc4ccc(C(F)(F)F)cc4)OC3(C)C(O)C2O)cc1C(F)(F)F"]
["MCULE-1466412838","CC(C)(C)c1cc(C(F)(F)F)nc(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)n1"]
["25347968","CC1(C)N=C(SCC2=CCCC=C2)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O"]
["75822370","Cc1ccccc1C1(Cl)C=CC(=NN=[N])C(Nc2ccc(C(F)(F)F)cc2)=C1"]
["188043062","CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCCC1(C)OC[C@@]34C5[C@@H](C(O)=Nc6cccc(C(F)(F)F)n6)N(C(=O)C2)[C@@H]3C514"]
["29420963","CN1C2C=C3C(=CC2(C)C2(C)C=C4SC5C=CC=CC5(C)C4=CC12)SC1(C)C=CC=CC31"]
["179688871","CC1=CC(B(O)O)=C2C(C)(C1)OC1C=CC=CC21C"]
["27846365","CC1(O)C=CC=CC1c1ccc(C2=CC=CC(N)(O)C2N)c(-c2ccccc2)c1-c1ccccc1"]
["176054892","CC12C=CC=CC1Sc1ccc(C=C(c3ccc(-n4c5ccccc5c5c(Br)cccc54)cc3)c3ccc4ccccc4c3)cc12"]
["178984727","CN1c2nccn2C2C=CC=CC21C"]
["179118852","CC12C=CC=CC1c1cccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c1S2"]
["179447156","CC1(C)C=CC2N=C(O)C(=CO)N2C=C1"]
["182280566","CC(C)(C)OC(=O)C12C=CC=CC1C(=O)N(CCN)C2=O"]
["150691853","CC12C=CC=CC1SC(=O)N2CCCI"]
["175133561","CC1CC(C2CC=C(Br)CC2)(N2C(=O)C3C=CC=CC3(C)C2=O)C1"]
["30556306","CC1CCCC=C1N1C2C(=CC(C3(C)C=CC=CC3)=C(N)C2C)C2C=CC=CC21C"]
["179888699","COc1ccc(N(c2ccc(-c3ccc(N4c5ccccc5C5C=CC=C[C@@]54C)cc3)cc2)c2ccc(-c3ccccc3)cc2C)cc1"]
["172847482","CC(C)(C)c1ccc(-c2ccc[c-]3cccc23)cc1.CC1=C=C2[C](c3ccc(C(C)(C)C)cc3)[CH-]CC=C2C1=[Si](C)C.[Mg+2]"]
["199191827","Cc1c(-c2ccc(C(C)(C)C)cc2)sc2c(-c3cccc4cc(-c5ccc([Si](C)(C)C)cc5)ccc34)nccc12"]
["MCULE-8705342072","Cc1cc(=NC(=O)c2cc(F)ccc2-c2ccc(C(C)(C)C)cc2)[nH]o1"]
["103366860","CC(C)(C)c1ccc([C@@H](C#N)NCCC2=CCCCC2)cc1"]
["5268183","COC[C@@H](C)N=C(O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1"]
["2130039","CCn1c(SCC(O)=Nc2ccccc2Br)nnc1-c1ccc(C(C)(C)C)cc1"]
["13840223","CC(C)(C)c1ccc(/C=C2\\CCCc3ccccc3C2=O)cc1"]
["170660575","Cc1c(-c2cc3c(C4=C=C(c5cccc6c5nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5[O-])n6-c5ccc(C(C)(C)C)cc5-c5ccccc5)C=C(C(C)(C)C)C4)nccc3o2)oc2ccc(CC(C)(C)C)cc12.[Pt]"]
["178884641","CCc1ccc(C2=CCN=C(O)c3ccccc32)cc1"]
["853600","Cc1cccc2c1N(CCOc1ccc(C(C)(C)C)cc1)C(=O)C2=O"]
["MCULE-8163903998","CC(C)(C)c1ccc(-c2nc(N3CCN(c4ccccn4)CC3)cc(N3CCCC3Cc3ccc(Cl)cc3)n2)cc1"]
["157257018","CCCN1C(=O)C(=c2sc3n(c2=O)[C@@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21"]
["164689232","CO[P+](=O)C(=N)N/C=C(\\N=C(/C)P(=O)(OC)OC)OCCOc1nc(P(=O)(OC)OC)nc([PH]([O-])(OC)OC)n1"]
["MCULE-5154563343","COCCCOC(S)=NS(=O)(=O)c1ccc(N=C(C)O)cc1"]
["44184603","C=CC(=O)OCCOc1nc(OCCOC(=O)C=C)nc(Oc2cccc3ccccc23)n1"]
["102532040","COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(Cc2ccncc2)cc1"]
["74770771","CCOC(=O)/C(=N\\O)c1cnc(Nc2nc(OCCc3ccc(OC)c(OC)c3)nc(N3CCOCC3)n2)s1"]
["185127312","COCCNc1nc(C(F)(F)F)ccc1C=CC([O-])=NCc1cc(F)c(NS(C)(=O)=O)c(F)c1"]
["126070206","COCCN(CC(F)(F)F)S(=O)(=O)Cc1cccc2cccnc12"]
["166062784","COCCN(CC(C)C)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl"]
["173126702","COCCCC(=O)c1cc(C(c2ccc(C=O)c(C(=O)OCCOC=O)c2)(C(F)(F)F)C(F)(F)F)ccc1C(C)=O"]
["55295586","COCCOc1nc(OCCOC)nc([N+]2(C)CCOCC2)n1"]
["14503934","COCCN=C(O)CCc1csc(C)n1"]
["4115595","COc1ccc(N=C(O)CCNC(=O)c2nc(SC)ncc2Cl)c(OC)c1"]
["176482759","O=C1OC23/C=C(/C=C\\c4ccc1[n+](c4)C2)C12/C=C4/C=C\\c5ccc([n+]1c5)C(=O)OC2=CC1OC(=O)c2ccc(c[n+]21)/C=C/C3=C/4"]
["100052226","O=S(=O)(C1CC1)N1CCC2(CCc3ccccc3O2)CC1"]
["66174210","O=C1C=CC(Cl)=CC1=C1CC(c2ccco2)=Nc2ccccc2N1"]
["90613496","C=C1CC(COC2C=CC=C3C=CC(=O)N=C32)(c2ccc(Br)cc2)OC1=O"]
["73823703","COC1=C(C)OC(Oc2ccc3c(O)c(/N=N/c4ccccc4)c(=O)oc3c2C)C2OC(=O)OC12"]
["76549667","Cc1ccc2c(CC(O)=NN=C3CCCc4oc(C(=O)NC5CC(C)(C)NC(C)(C)C5)c(C)c43)coc2c1C"]
["524457","CC(C)=CC[C@]12OC(C)(C)C3C[C@@]4(OC(c5ccccc5)=CC(=O)C4=C[C@@H]31)C2=O"]
["59473625","C=C(C)C1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C2=C[C@](C)(C(=O)O2)[C@H]1O"]
["172830474","CCS(=O)(=O)c1cccc(CC2=CNCC3=C2CC(O)=N3)c1OC1CCCCS1(=O)=O"]
["81114084","O=C1C=C(O)C2C=CC3=C(C=CC4(CCCC4)O3)C2=N1"]
["195517144","CCCCN1N=CI=C1C1=CCC(C)(N2CCN(C(=N)CCc3c(Cl)cccc3I)CC2)C=C1"]
["124384995","CCOC1CC(N(C)C(=O)c2cccc3c2OC(C)C(O)=N3)C12CCCC2"]
["173301001","C#C.CCC12C=CC[C@@](PCCP(C)[C@@]34CC=CC(CC(C)C3)C4)(CC(C)C1)C2"]
["110680547","C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)[C@]3(C[C@@H](C)CC(C)(C)C3)N=C2O)C1"]
["97752360","CCC(C)(CC)OOC1(OOC(C)(CC)CC)CC(C)CC(C)(C)C1"]
["54749626","CCC1(OC(=O)CC(C)OC(=O)C2CC3CC2C(C)C3C)C2CC3CC(C2)CC1C3"]
["168745870","CCC(I)c1ccc(OC2(CC)CC3CCC2C3)cc1"]
["56327271","CC1=C2[C@@H](CC1)[C@@H](C)CC[C@H]1[C@@H]2OC(=O)[C@@]12C[C@]13C[C@H]2C(C)=C1[C@@H]1[C@H](CC[C@@H]3C)[C@]1(C)C(=O)O"]
["49856191","CCCC1CCSC2(CC(C)CCC2C(C)C)S1=O"]
["13018612","Cc1nc(S(=O)(=O)[NH2+]CCN2C[C@H](C)C[C@@H](C)C2)cn1C"]
["87213351","Cc1cccc(NC2CC(C)CC(C)(C)C2)c1Br"]
["100207884","CC1C=CC2(C=CC2)CC1C"]
["79843494","CCC12C=CC(CC1)C2.[SiH4]"]
["136954899","CC1CC(C)CN(C(O)=NCCCn2ccnn2)C1"]
["180186457","C=I1=C2C=CN=C1Nc1ccc(OCCOC)c(c1)CI(C)CC=[C-]COCC1=CCC2=IC1"]
["34353957","Cc1cc2c3c(c1C)Oc1c(ccc(Cl)c1O)C3CNC2"]
["55132701","CN=C(O)c1ccc(Cl)c(N=C(O)C(N)CCOC)c1"]
["92263851","CCOc1cc2c(cc1C(O)CCCOC)OC(C)C2"]
["106927568","COCC[C@H]1NCCc2ccc(Cl)c(C(F)(F)F)c21"]
["30465991","CCCc1cc(-c2nc3c(s2)CCCC3)ccc1OCCCOc1ccc2[nH]cc(C(C)C(=O)O)c2c1"]
["64738470","COCCOc1ccccc1CNC(O)=NCc1ccccc1Cl"]
["123004191","COCCOc1cc(C(=O)N(C)C(C)C2(C)CC2)ccn1"]
["49056306","COCCOc1ccc(Cl)cc1CNC1CC1"]
["17922886","COCCOc1ccc(NC(=O)C(=O)N2CCC(OC)CC2)cc1F"]
["92940877","CCC1CCC(O)(c2ccccc2OCCOC)C1"]
["126954626","COCCOc1ccc(Cl)cc1C(O)=NCCCN1CCCC1=O"]
["172514983","Cl.O=C(C1=NC=C2N=NC(c3ccc(N=CO)c(C4=NN=C5C=NC=C54)c3C3=NN=C4C=NC=C43)=C21)C1CC1"]
["114233744","CC1(C(O)=Nc2ccc(CC(=O)O)nc2)CCCC1N"]
["195425688","Cc1cc(C#[NH+])ccc1C1=CC(N=C(O)C2CC2)Cc2ncnn21"]
["135680540","Cc1nc2c(c(C(F)(F)F)n1)CC(C(=O)Nc1ccc(O)cc1)CC2"]
["MCULE-4606729498","COc1cc(F)cc(-c2ccc(N=C(O)C3CCN(C(C)=O)CC3)c(F)c2F)c1"]
["181679498","COc1cccc(-n2nccn2)c1C(=O)N1CC2CCC(C1)N2N=[N+]=[N-]"]
["169272011","CC1CN(C)CC=C1c1cc(N=CO)nc2[nH]ccc12"]
["32689435","COCO[C@H](COC(=O)c1ccccc1)[C@@H]1NC[C@H](OC(=O)c2ccccc2)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=C1O"]
["23459189","COc1ccc(C(=O)C2CCCN(Cc3ccc4cc(N=C(C)O)ccc4n3)C2)cc1F"]
["90378821","CC(N=C(O)COC(=O)CN1C(=O)c2ccccc2C1=O)C1CC1"]
["197498337","O=C(O)Cc1ccc(N=C(O)C2(N=C(O)OCC3c4ccccc4-c4ccccc43)CCC2)cn1"]
["14962136","CCCN(CC(O)=Nc1ccc(F)c(F)c1F)C(=O)C1CCC1"]
["179351036","CC1CC12CCC(C1CC3(CCC(C4(C5CC5)CCCC(C(C5CC5)C5CCC6(CC5)CC6C)(C5CC56CCCC6)C4)CC3)C1)CC2"]
["178414821","CC(=O)OC(C)C1CC12CCCC2"]
["156987675","CO[C@]1([C@@H](O)C2CC2)CCC[C@H](C)C1"]
["158245282","COC1CCN(C(=O)[C@@H]2CC23CCCCC3)CC1"]
["23126604","CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4(O)CO"]
["104005911","CO[C@@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@@H]3C"]
["85907513","CNC1CC(OC2CC3CCC2(C)C3(C)C)C12CCCC2"]
["114649043","CCCNC1(C(=O)OCC)CCCC(SCCC(C)C)C1"]
["178828881","CCC(CC)CC1CCC(CC(CC(C)C2CC23CCCC3)C(C)C)C1"]
["178351745","CC1CCCCCC2(CCC1)CC(C1CCCC1)C2"]
["74134079","COC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(OC)CC4)CC2)C3)CC1"]
["179336442","C[C@H]1CCCCC2(C)CCC1(C)C2"]
["196509191","CC(/C=C(/C)[N-]C1CCCCC1)=NC1CCCCC1.Cc1cc2cc[n-]c3c4[c-]([n+](-c5ccccc5)c(c1)c2=3)C=c1ccccc1=C=4.[Ir]"]
["52401846","C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCC(O)=NC1CCCCC1"]
["144593382","CN=C(O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4cccc(C)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]
["MCULE-2246008100","CC(C)c1ccccc1NCc1cc(=O)c(OCC(O)=NC2CCCCC2)cn1CCOCCO"]
["23022293","Cc1ccccc1C(O)=NC1CC2CCCC(C1)N2C(O)=NC1CCCCC1"]
["164758163","CCC(C(O)=NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O"]
["24391602","CC1CCCC(N2C(=O)C3C(C(O)=Nc4cc(Cl)cc(Cl)c4)C4C=CC3(O4)C2C(O)=NC2CCCCC2)C1C"]
["18209016","OC(=NC1CCCCC1)N/N=C/c1ccccc1F"]
["195155031","C=CC1=C(C)c2ccc(O)cc2/C(=N\\OCC2CN2O[N+](N)=O)C1(C)C.CC.CC(C)(C)OC(O)=NC1CCCCC1"]
["151582448","Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(O)=NC2CCCC2)c2cc(C)ccc2C)cc1"]
["108966939","COc1ccc(CN(C(=O)CCCC(O)=Nc2ccccn2)[C@H](C(O)=NC2CCCCC2)c2ccc(Cl)cc2)cc1"]
["102539432","CCc1nc2ccc(NC(S)=NC3CCCC3)cc2s1"]
["170511733","Cc1nn(C)c(N)c1/C(SS/N=C(\\Cl)c1snc2c1c(C)nn2C)=C(Cl)\\N=c1/ssnc1Cl"]
["123290031","CCn1ncc2ccc(N=C(O)N3CCCC3c3c(C)nn(C)c3C)cc21"]
["160393889","Cc1nn(C)c(-n2ccnc2C)c1C(O)=NCC1CC=CCC1"]
["127588537","Cc1nnc(O)c(C(O)=NN=C(O)c2cn(C)c3ccccc23)c1C"]
["CSSS20621677323","Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(O)=N[C@H]1CC[C@@H](C(=N)O)C1"]
["197538128","Cc1ccncc1-c1nn(C)c(N)c1C"]
["31639175","Cn1nc(-c2ccc(NC(O)=Nc3cc(C(F)(F)F)ccc3Cl)cc2)c(C(=N)O)c1N"]
["140927751","Cc1nn(C)c(C)c1CC(C)N=C(O)Nc1cccnc1Cl"]
["8935150","Cc1nc(-c2ccccc2)sc1CN=C(O)c1c(C)nn(C)c1Cl"]
["33276119","Cc1ccccc1Nc1ccc(C(=S)c2c(C)nn(C)c2C)c(Cl)c1"]
["110401021","Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCC(C(O)=NCCC(C)C)CC3)c12"]
["81851821","Cc1nsc(N)c1C(O)=Nc1ccc(Cl)c(Cl)c1"]
["80124203","C[NH+]1C(=O)C(=O)[NH+](CC(=O)[N-]CCC2=c3ccccc3=[N+]=C2)c2ccccc21"]
["75926527","CC(C)=CC1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1(C)C(C)=CC(C(O)=NCc1ccccc1)=C(C)C"]
["119662225","CC(=O)N(CCNS(=O)(=O)c1ccc(Cl)c(C)c1)CCc1ccccc1"]
["42153576","COCCS(=O)(=O)N(CC(=O)O)c1ccccc1N"]
["65791705","COCN(C(=O)[O-])c1ccccc1-c1nc(OC)cc(OC)n1"]
["68067195","COCCS(=O)(=O)N(CCO)c1ccccc1N"]
["MCULE-3149060963","C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N3CC(C)CC(C)C3)ncnc21"]
["99559001","CC(O)=NC1=C(c2cccc(Cl)c2)N/C(=C2/C=CC(c3ccccc3)=CC2=O)O1"]
["195958365","CNc1c(C(=O)N=N)ccc2c(O)c3ccccc3c(O)c12"]
["7052738","CCCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1CC"]
["64922747","CCOc1ccccc1CN1C(=O)C(O)(CC(C)=O)c2ccc(Cl)c(Cl)c21"]
["32302622","COC(=O)c1ccn2c(C(=O)c3ccccc3)c3c(c2c1)C(=O)CCC3"]
["179239326","CC[I]1(C)CC1[C@H]1CN(C2CNC[C-](N(C)C(C)C)C(CCI)N2)C[C@]1(C)C[I]I"]
["89637578","CNCC1CN(C)CC(C)(C)CN1C(C)C"]
["148523785","CC(CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCNCC1C"]
["25723691","CC(O)CC1CC1C1CC2CC2(C)C1(C)C"]
["184341942","Cc1cc(CC2CCCN(C(C)C3(C)C=Cc4sc(C)nc4C3)C2)cc(C)n1"]
["179101604","CC1=C[C@H]2c3c(OC(=O)CN(C)C)cc(CCCCI)cc3OC(C)(C)[C@@H]2CC1"]
["147244627","CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC1CCNCC1)C2.Cl"]
["90769596","CCC1(CCC(=O)OC2CC3CCC2(CS(=O)(=O)N(C(C)C)C(C)C)C3(C)C)CCCN2CCc3c([nH]c4ccccc34)C21"]
["42072194","CCCC1CN(CC(C)C)C(CC)CN1"]
["174152262","CCN(C)[CH-]C(=O)N1CCN(c2ccc3[nH]c(C4=C=C(C)c5[nH]cn[n+]5C4)c(C(C)C)c3n2)C[C@H]1C.[V]"]
["MCULE-3465358152","CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2C[C@@H](C1)c1ccccc1OCCCN(C(=O)c1coc(C)n1)CCCN=C2O"]
["26307185","CC(C)CN1CC2CNCC(C1)C2(C)C"]
["34475409","Cc1cc2cc(n1)c1nc(C)c3c(oc4c5c(c6c(c24)OC2(CCO2)C62CCO2)OC2(CCO2)C5O)c1Oc1c-3c2c(c3c1C(O)C1(CCO1)O3)C1(CCO1)C1(CCO1)O2"]
["170551098","C[C@@H](CC1CCC(O[Si](C)(C)C)(C(=O)c2ccc(C#N)cc2Br)CC1)OC(O)=NC(C)(C)C"]
["158500644","Cc1cc(N2CCC[C@](O)(C(=N)O)C2)c2cc(Cl)cc(C)c2n1"]
["28493103","CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1CN.Cl"]
["161079328","Cc1cc(C)c(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c(O)n1"]
["113631400","Cc1cc(C)c(C(N)=O)c(NC(CN)C2CCCC2)n1"]
["151079119","O=C(Cc1cnc2ccccc2c1)N1CCO[C@H](c2cccc(O)c2)C1"]
["169680774","Cc1noc(C)c1-c1ccc2nc(O)n3c2c1OC[C@H]3C1CCCO1"]
["159426907","C=O.CC1(c2cccc(C(=O)O)n2)OCCO1"]
["171789813","Cc1cnc(C(O)=N[C@H](c2nc3cnc(C(F)(F)F)cc3n2C(C)C)[C@@H]2COCCO2)cn1"]
["158736454","Cc1cc(C(=O)N[C@@]2(C)CCO[C@H]2C)nn1-c1c(F)cccc1F"]
["198721070","CC1=C[C@H](n2cc3ccc(C(=O)O)cc3n2)[C@@H](C)[C@H](C(O)C(O)CO)O1"]
["176418481","C=CC1(n2c(C)cc3c(C4=CCC=C(C)C=C4)c(CC=O)c(C)c(NC)c32)CCCC1"]
["163368636","Cc1c(CC=O)n(C(C)C)c2ccccc12"]
["94948514","CCOC1(c2nc(Cl)c(C)c(CC)n2)CCCCCC1"]
["186545474","CCS(=O)C1=CCC=C(Cc2cc(C)cc(C#N)c2)C2=C1[C@H](C)C(F)(F)C2"]
["114799546","C=CC(C)NC1(CO)CCCCC1"]
["60861955","C=CCN1C(=O)C(C(C)C)=NC12CCCCCC2"]
["100935652","C=CCc1ccc2ccccc2c1NCc1cccc(C)c1"]
["180815760","C=Cc1cc(-c2ccc(Cl)cc2)c2c(c1)c(C)c1n2CCC(=N)C1=O"]
["58709868","CC1(NCc2ccc3[nH]c(=N)sc3c2)CCCC1"]
["32348791","C=CCC[C@]12CCCC[C@H]1C(=O)C=CN2C(=O)OC"]
["62262704","COc1ccc([C@H]2[C@H]3CCCC=C3[C@H](C#N)C(=N)C2(C#N)C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C"]
["68417430","C=CCC(NC)c1ccc(C)c(F)c1"]
["186710011","CC(O)=NCC[N+](c1cnn(C)c1)=[S+]([O-])(O)N=C(O)CC1=C2CCC=C2C=C2CCC[C-]21.[Na+]"]
["165986194","CC(C)(CN=C(O)Cn1ncc(=O)c2ccccc21)N1CCc2ccccc2C1"]
["MCULE-3400754819","Cn1cc(N=C(O)Cn2cc(-c3ccoc3)cn2)cn1"]
["31935753","CC(=Cc1cc(Br)ccc1N(C)Cc1cnn(C)c1)C(=O)O"]
["165321226","CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1cnn(C)c1)C2"]
["134535216","Cc1[nH]c2ccccc2c1CC(O)=NC1CCCN(c2cnn(C)c2)C1"]
["MCULE-1891272402","CCOC(=O)COc1cn(CCN=C(C)O)c(CN2CCN(CCO)CC2)cc1=O"]
["136470503","CC1CCCN(CCNC(O)=NCCCc2cnn(C)c2)C1"]
["5852447","CCCC[C@@H]1CCC[C@@H]1N=C(O)CCc1cnn(C)c1"]
["MCULE-1804173613","COc1cc(-c2noc(CCC(O)=NCCCCN3CCCC3)n2)cc(OC)c1OC"]
["123741189","Cn1cc(CN=C(O)C2CCCCCCC2)cn1"]
["140327918","CCN(CC)C1CCN(C(=O)Cc2cnn(C)c2)C1"]
["174075518","[B+]=C1C(O)=c2[nH]c3c(O)[c-]4oc5c(O)c(=[B+])c(=[B+])c(O)c5[c-]4c(=[B+])[c-]-3[c-]2C(=[B+])C1/C(C)=C(O)/C([O-])=C(O)\\C(O)=C\\O"]
["186485792","C/C(=C(O)\\C(O)=C(O)/C(O)=C/O)c1c2ccccc2c(-c2ccc(-c3ccc(O)cc3)c3c2oc2ccccc23)c2ccccc12"]
["80897382","OC(c1ccc(Br)cc1)C1NC(c2ccc(Cl)cc2)c2[nH]c3ccccc3c2C1c1ccccc1"]
["48577392","COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)/C=C(/c1ccccc1)C(F)(F)F)C24"]
["153679460","COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@@H]5C(C)=C(O)C(=O)C[C@]5(C)[C@@H]3[C@@H](O)[C@H]1O)OC(=O)[C@H](OC(=O)/C=C(/c1ccccc1)C(F)(F)F)[C@@H]24"]
["34436813","CC1Cc2c(-c3ccccc3)nc3n[nH]c(N)c3c2C1"]
["182431062","CC(=Nc1ccc(C(F)(F)F)c(Br)c1)c1c(O)[nH]c2ccc(C(=N)O)cc12"]
["153571555","COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(/c1ccccc1)C(F)(F)F)[C@@H]24"]
["70382090","CC1COC2Oc3c(Cc4c(O)c5c(c6c4OC4(C)OCC(C)C4C6)OC4(C)OCC(C)C4C5)c(O)c4c(c3CC12)OC1(C)OCCC1C4"]
["74017733","CC(=O)/C=C(\\C)N[C@@H]1CON=C1O.CC(NF)C(=O)O"]
["150146757","CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(CCl)c3)cc2c1=NC1CC(CN(C)C)C1"]
["57174053","[B+]=C1NNC(=NC([O-])=CN)C1C"]
["179114668","CN(C)CCN=C(O)c1nc(CC(C)(C)C)ccc1C(=O)[C@@](C)(I)[n+]1cccc(C(=O)C(C)(C)I)c1C(O)=NCCN(C)CC(C)(C)C"]
["140267674","CN=C(O)c1cc(N=C(O)N(CC(C)C)CC(C)(C)C)ccc1Cl"]
["74437615","Cc1csc(C(c2cc(N3CCOC[C@@H]3C)nc(-c3ccc(NC(O)=NCCN(C)C)cc3)n2)=S(=O)=O)n1"]
["147082878","Cc1ncc(C(O)=NCCCCCCCC(=O)O)c(C(C)C)n1"]
["141659779","CCCN(CCN=C(O)c1cnn(C)c1C)C(=O)OC(C)(C)C"]
["61529737","CC1C(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)OC(c2ccc(-c3ccccc3CN=C(O)CCC(=O)O)cc2)OC1c1ccc(CO)cc1"]
["126092995","CN(C)CCCN=C(O)c1cn(-c2ccc(Br)cc2)cn1"]
["MCULE-5818735195","CC(C)c1cccc(-n2nc(C(C)(C)C)c(C(=O)O)c2Br)n1"]
["MCULE-9188416962","CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1C(c1ccccc1)C(C(O)=NCCCCN(C)C)=C(N)O2"]
["113287930","CC(C)(CC(=O)O)CC(O)=NCCc1ncno1"]
["52546387","CCCN(Cc1ccc(C#N)cc1)C(=O)CN=C(O)c1ccccc1I"]
["51144593","CCc1ccc(NC(O)=NCCN(C)C)cc1"]
["194113421","CCN(CC)C1=CNNC(Nc2ccc3c(n2)CC(C(C=[NH2+])CNC)C=N3)=C1"]
["90170124","CNCC(c1c(C)ncn1C)N1CCCCC1"]
["80010393","CN/C=C(\\C=N)c1cnc2ccc(NC3=CC(C(C)C)=CNN3)nc2c1"]
["148440631","CCN1CC(Nc2cccc(C(=O)O)n2)CC1=O"]
["119134582","CCN(CC)C(O)=NCC(O)c1ccncc1"]
["45385099","CCC1(CNC(C)c2nc(C)cs2)CCNC1"]
["178617988","Cc1cnc2scc(C)c2c1NC(C1CN1)C1CC1CO"]
["117960911","CCN=C(NCCCCN(CC)CC)N1CCN(c2ncccn2)CC1.I"]
["82763556","CCN1CCCC2c3cc(Br)c(Br)c4c3c(c(C)n4N=CO)CC21"]
["81419706","CC(C)N1C=Nc2c(ncn2C2OC(CO)C(O)C2O)C1Nc1ccc(O)cc1"]
["64878577","CCN=C(O)CN(CC)C(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3"]
["85859847","CCNC(=O)c1ccc(OC(C)CNC)nn1"]
["184659945","C1=CC=N[CH-]C=1c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3cnc4c(c3)-c3ccccc3[C-]3N=CC=C=C43)cc(-c3ccccc3-c3cnc4c(c3)-c3ccccc3[C-]3N=CC=C=C43)c2)cn1.[Ir+3]"]
["MCULE-5060375066","COc1ccc(-c2cnc(N=C(O)CN3Cc4ccccc4C3=O)nc2)cn1"]
["192319096","C1=CC=C=C(c2ccc(-c3ccccc3-c3cc(-c4ccccc4C4=C[N-]C(=C5C=CC=C[N-]5)C=C4)cc(-c4ccccc4-c4ccc(C5=C=CCC=C5)nc4)c3)cn2)C=1.Cl.[Ir]"]
["4175622","CC(C)(C)OC(O)=Nc1cnc(-c2ccccc2)cc1I"]
["171644895","Cc1ccc(-c2c(Cl)cccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccccc3-c3ccccc3)c2)c(C)n1"]
["126143791","COCc1cc(N=C(O)Cn2nc(-c3ccccc3)ccc2=O)ncn1"]
["MCULE-6082919130","CSc1ccccc1-c1c[nH]c(=NC(=O)c2ccc3c(c2)CCO3)cn1"]
["69128567","CCN=C(O)C(C)Oc1ccc(-c2cnc3ccccc3n2)cc1"]
["MCULE-4589846104","COc1c(C)cc(-c2cc(N=C(O)C(C)N3C(=O)c4ccccc4C3=O)c3nccn3c2)cc1C"]
["MCULE-7088709182","Cc1cc(=NC(=O)C(c2ccccc2-c2cncc(F)c2)N2CCN(C(=O)OC(C)(C)C)CC2)[nH]o1"]
["99944512","CCc1ncc(-c2ccc(-c3ccccc3C)nc2)cn1"]
["199612305","Cc1cc(-c2ccc(-c3ccccn3)cc2)c(C#N)c(O)n1"]
["168652838","[NH3+]CCCN=c1ccc2c3c1c(O)c1c(O)ccc(=O)c1c3[nH]n2CC[NH2+]CCO"]
["70466425","CCCCN=C1NC2C(C(O)=NC(=O)N2C)N1CC(O)COc1cccc(C)c1"]
["MCULE-5475505093","Cc1ccncc1-c1c[nH]ccc1=NC(=O)C1CC(=O)N(Cc2ccccc2)C1"]
["MCULE-1559239619","CCOc1cc(C2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCO)ccc1O"]
["168402918","CNCCNc1ccc2c(CNCCO)nn3c4c(O)ccc(=O)c4c(O)c1c23"]
["184387798","CCCCc1nc2c(=N)[nH]c3cc(N(C)CCOCCC(C)(C)N=C(O)CBr)ccc3c2n1Cc1cc(O)ccc1O"]
["30027260","O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(CCn3ccnc3)c(=O)c12"]
["58450253","OCCN=c1[nH]cnc2ccc(-c3csc(/C=C4\\SC(=S)N=C4O)c3)cc12"]
["MCULE-1221653068","Cc1ccc(Cl)c2c(=O)cc(C(O)=NCCCN3CCCC3=O)[nH]c12"]
["94402099","CCN=C(O)CCN=c1cc[nH]cc1[N+](=O)[O-]"]
["153148066","COc1cc([C@H]2/C(=C(\\O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2CCCN(C)C)cc(OC)c1OC"]
["165477051","COc1ccc(Br)c(C(O)=NCCCN=c2ccc3nnc(C)n3[nH]2)c1"]
["179743868","CC1C(=NC#N)c2cc(F)ccc2C1=NC1=C(F)C(N=C2C(C)c3ccc(F)cc3C2NC#N)C(N)C(F)=C1N"]
["191837625","C#COc1ccc(N(C)C2OC(=O)c3cc(N(C)C)ccc32)cc1.[HH].[HH]"]
["58717660","Cc1cccc(O)c1N=C1N=C(O)/C(=C2/C(O)=Nc3ccc(F)cc32)S1"]
["MCULE-9833724887","Cc1cc(N=C(O)C2CCCN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(F)cc1C#N"]
["184938301","CN=C(C)/C(CCOc1cc(F)ccc1-c1ccc(=N)n(C(=N)CN(C)C)c1)=C(\\N)CC(C)C"]
["MCULE-7862690537","N#Cc1cc(F)ccc1-c1ccc2oc(N=C(O)Cc3c(F)cccc3F)nc2c1"]
["141223490","CN=C(O)C(N=C(O)C1CC1c1cc(F)ccc1F)C(C)C"]
["125599145","COc1cccc2c1CCN(C(O)=NC1CCSc3ccc(F)cc31)C2"]
["140217161","OC(=NCc1ccc(Br)s1)C1CC1c1ccc(F)cc1F"]
["104042539","CC1CCC(N=C(O)[C@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2Cl)CC1"]
["MCULE-2273412616","Cn1nccc1-c1cc(F)ccc1C(O)=NCC1CC1"]
["128861624","CC(N=C(O)NC1CCOc2ccc(F)cc21)C(O)=NC(C)(C)C"]
["179366328","C[C-]1CCC2[I-]I(C(I)[I]1)C1[I-]C(I)(C3CCC4I(C1[I]3)C1C([I-]O)[I-]I(O)I4I1I)C2[I-]I"]
["179150129","C[C-]1CC[C@H]([I]Cl)[I]1"]
["MCULE-3170517405","O=C1CCOCCOCCN(C(=O)C2CC(F)(F)C2)CCCOCCN1CC1CCN(C(=O)c2nnc3n2CCC3)CC1"]
["172012729","[NH2+]=C1N[C@H]2C(COC(=O)[N-]CCCCCC[NH3+])[NH2+]C(=[NH2+])N3CC[C@H](O)C23N1"]
["48751219","[NH2+]=C1N[C@H]2C(COC(=O)[N-]CCCCCC[NH3+])[NH2+]C(=[NH2+])N3CC[C@H](O)[C@]23N1"]
["148135164","CCSC1CCCC(N=C(O)C2(S(C)(=O)=O)CCNCC2)C1"]
["180277666","CCC1([I-]I)C(I)C(I)C1C1C(I)C(I)I(C2CC(I)([I-]I)I2I)C1I"]
["178216812","NCC1CCC(I)C2[I-]C1(I)CCC2I"]
["179327547","CC1(I)C2CI=I3=IC(C2)C31C"]
["160875492","COC1CCCC1C1COCCN1C(O)=NCC1CCOC2(CCC2)C1"]
["192744092","N=C(O)CC1(N=C(O)c2ncc(N3CC(F)(F)C3)cc2OCC2CC2)CS(=O)(=O)C1"]
["160351002","CC1(C)CCN(C(O)=NC2CCN(Cc3ccc(F)cc3)C2=O)CCS1"]
["76160749","C=C(C)[C@@H]1CC2OCC34OC5OCCC51C23CC1OC[C@@H](C)[C@@]14O"]
["158174964","C[C@@H]1C[C@@H](C(=O)N2CCOC3(CCCCC3)C2)CO1"]
["53792178","CCCNC1(CC(=N)O)CCOC(C(C)C)C1"]
["112562023","CC1OCCC1(C)NC(=O)c1n[nH]c(=N)s1"]
["164680037","CC(=O)C1CC2C=CC1(C1OCC(c3ccccc3)O1)O2"]
["194913726","C=C(C)C(OC(C)=O)C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC21C"]
["171817051","C=C1[C@H]2CC(OC(C)=O)C3[C@]45CCCC(C)(C)C4[C@H](OOCC)C(O)(OC5)[C@@]3([C@@H]1OOCC)[C@@H]2O"]
["171381962","C[C@@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@@]32OCOC23COCO3)[C@@]2(C)CCC(=O)C[C@]12O"]
["167321660","C=C(C)[C@@H]1CCC(C)(O)[C@H](O)C1"]
["176520497","COC1C(O)(C(C)C)CC2OC23C2C(C)CCC4=C(COC4=O)C2COC13C"]
["176967277","C=C(C)[C@@H]1C[C@H]2O[C@@]23C(=CC(=O)[C@]2(C)[C@@H](C(C)=C[C@H]4C[C@H](C)C(=O)O4)C[C@H](O)[C@]23C)[C@@]1(C)CCC(=O)OC"]
["160876595","C=C[C@@H]1OCC[C@H]1NC(O)=NCC1(O)CCCC1C"]
["173994002","[B]=c1c(=[B+])c2c(c(=[B+])c1=[B+])[N-][C-](C([B+])([B+])N(CCCC[NH-])[C@@]1([B+])CCCC3=C1[N-][CH-]CC3)[N-]2"]
["173856249","[B+]C([B+])(N[C-]1[CH-]C[CH-][C-]([CH-][O-])[C-]1C([B+])([O-])N(C)C1([B+])CCC(O)=NC1=O)[C-]1[CH-][CH-][C-](C([B+])([B+])N2C([B+])([B+])C([B+])([B+])OC([B+])([B+])C2([B+])[B+])[CH-][C-]1F"]
["180449233","C=C1NC2(CCCc3sc(-c4ccc(F)c(C#N)c4)cc32)CC(=O)N1C"]
["144578506","CCCCC1CCCC2(CCc3cc([C@H]4CC[C@@](N)(CO)C4)ccc3C2)O1"]
["175228496","[B+]C1([B+])C(O)=N[C-]2[CH-][CH-][CH-][C-](CCN(C([B+])([B+])CC)C([B+])([B+])CC)[C-]21"]
["175526339","[B]C([B+])([B+])N(CCCCCCC1=C(C2=C=C(F)CC[C-]2F)CCCc2cc([O-])ccc21)CCCSCCCCC(F)(F)F"]
["49682493","O=[C-]C1([C-]=O)CCC1.[NH-]CCCC[NH-].[Pt+4]"]
["179562969","CCOCC1(C[Cl+]CC)CCC(C2=C(CN(C)CC[NH-])CN[N-]2)CC1"]
["176587066","[B]C([B+])([B+])C1([C-]2[N-]C(CC)=C(Nc3ncc(C(F)(F)F)c(=NC)[nH]3)S2)CCN=C1O"]
["172931486","[B+]=[O+]C(=O)C1(O/N=C(\\C(=O)CC2C(=O)N3C[C@@](C(=O)[O+]=[B+])(N4CCN(N)C4=O)S[C@H]23)[c-]2[n-]s[c-](C)[n-]2)CCC1"]
["180208346","CC1CC2(OC(=O)C(C)(I)CI)CCCC(=C1O)C2"]
["193778830","CN(CCCC[NH-])C1CCc2ncsc2C1"]
["175214848","C=NO[C@@H](C=C1CC1)N1CCC/C(=C\\C2=CC=C(n3cnc(C)c3)C(OC)=CC2)C1"]
["108682613","COC(=O)[C@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2C(C)C"]
["176204253","C=C1NC(=NCSc2ccc(C)cc2)Nc2c1ncn2[C@@H]1O[C@H](COC(C)=O)C(OC(C)=O)C1OC"]
["29450301","COc1cc(Nc2cn(CC3CC3)c(=O)n(C(C)c3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1"]
["63824771","COc1ccc([C@@H](CN=C(O)COc2ccccc2C)N2CCCCC2)cc1"]
["113829467","C=Cn1cc(CNC(Cn2ccnc2)C(C)(C)C)cn1"]
["138667904","Cc1n[nH]cc1C(C)NCC(C(C)C)N1CCCCCC1"]
["109483603","COc1ccccc1[C@@H](CN=C(O)Cc1csc(-c2ccc(C)cc2)n1)N1CCCC1"]
["133902341","COC[C@@H](O)CN(C)c1cccc2c1CCCN2C[C@H](O)COC"]
["59692714","CCOc1cc(C(O)=NCC(c2ccccc2OC)N2CCCC2)ccc1OC"]
["177219356","CCOCc1nn(C(C)C)c2c1CCc1cnc(SC)nc1-2"]
["90635218","CON=CC1CC=CN2CCCCC12"]
["163500194","FC(F)(F)c1cccc2c1nc1n2C[C@]2(CN3CCC2C(c2ccc4c(nc5n4C[C@@]4(CN6CCC4CC6)O5)c2C(F)(F)F)C3)O1"]
["187632505","C[C@@H]1CN(c2ccc(C(F)(F)F)c3ncccc23)C[C@H](C(O)=NC2CC3CNCC32)O1"]
["MCULE-7408265553","CS(=O)(=O)N1CCC(N=C(O)c2cc(-c3ccccc3C(F)(F)F)ccc2F)CC1"]
["27453574","CCCCNC(=O)c1nnc2c(c1C)CC1CN(C(=O)c3ccccc3C(F)(F)F)CCN21"]
["MCULE-3677242895","Cn1cc(C(O)=NCC2CCCCN2C(=O)c2ccccc2C(F)(F)F)c2ccccc21"]
["32917542","C[C@H]1CN(C(=O)N2C[C@H](c3ccc(Cl)c(Cl)c3)[C@@H](N(C)Cc3ccc(C(F)(F)F)c(F)c3)C2)CCN1S(C)(=O)=O"]
["30079452","CC(C)(N)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2N=C(O)N1CCC2(CC1)OC(O)=Nc1ncccc12"]
["183588103","FC(F)(F)c1ccccc1-c1nc2n(n1)CCCCC2"]
["156787561","C[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C[C@@H](C)C1"]
["138594473","Cc1c(C(=O)N2CCC3(O)CCCCC3C2)oc2c(Cl)cccc12"]
["166423299","C#CCCC1c2c(c3ccccc3n2[Si](C)(C)C(C)(C)C)CCN1C(=O)C(F)(F)F"]
["170025412","CCOC(=O)C1CN(c2ccc(N3CCOC3=O)cc2F)C(=O)N([C@@H]2CCc3c2cccc3C(F)(F)F)C1=O"]
["172661585","O=c1ccc(Cl)cn1-c1n[nH]cc1N1CC=C2N=CC=CN21"]
["172267974","COC(=O)C(OC)Oc1ccccc1Oc1cc(-n2c(=O)cc(C(C)(F)F)n(C)c2=O)c(F)cc1Cl"]
["195901739","CCOC(=O)COc1nc(C)cc(C)c1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl"]
["86656378","CC(O)=N[C@@H](CC(=O)O)c1ccc(F)c(Cl)c1"]
["89770758","CCOC(=O)c1c(N=C(O)Cn2cc(Cl)ccc2=O)sc2c1CCC(C)C2"]
["131261224","OC(=Nc1cnn(Cc2ccccc2)c1)c1c[nH]nc1C1CC1"]
["195238821","COc1cc(=O)n(C)cc1C(=O)N1CC2CN(c3ccc(Cl)cn3)CC2C1"]
["MCULE-7589839415","COc1ccc(NC2=C(c3ccc(OC)c(OC)c3)C(=O)N(c3ccc(Cl)cc3C)C2=O)c(OC)c1"]
["MCULE-6738709944","Cc1cc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(c3ccccc3F)C2=O)ccc1F"]
["28827698","Cn1c(C(F)(F)F)cc(=O)n(-c2cc(OC3(S(C)(=O)=O)CC=CN=C3O)c(Cl)cc2F)c1=O"]
["78962442","O=C1S/C(=C(/Cc2ccc(Cl)cc2C(F)(F)F)c2ccc3n[nH]cc3c2)C(=O)N1C[C@H](O)CN1CC[C@@H](F)C1"]
["74781765","NCCCn1cc(-n2c(O)nnc2-c2cc(Cl)cc(Cl)c2)c2cc(F)ccc21.O=C(O)C(F)(F)F"]
["177174724","C1CNCC(C2CCc3c(c4[n-]c5nc(nc6nc(nc7nc(nc3[n-]4)C3CC(C4CCCNC4)CCC73)C3CC(C4CCCNC4)CCC63)C3CC(C4CCCNC4)CCC53)C2)C1.[Cu+2]"]
["173519005","Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CC(C4CCCNC4)C3)cnc12.O=C(O)C1CCC1"]
["147239743","c1nc(C2CCCN(CC3CCCNC3)C2)n[nH]1"]
["114758375","CCC(CO)(CO)N=C(O)C1NCC2CCCC21"]
["146073276","CCn1c(C)cc(C(O)=NCC2CCCNC2)c1C"]
["198881830","C[C@H]1Cc2cc(-c3cnc(C(O)=NC4CCCNC4)cn3)ccc2N1.O=C(O)C(F)(F)F"]
["104789305","CCCN=C(O)N1CCC[C@@H]1[C@H]1CCCNC1"]
["62670188","N=c1nc(CC2CCCNC2)o[nH]1"]
["115095271","Cc1cc(Cl)nc(N=C(O)CC(C)C2CCCNC2)n1"]
["69535980","CSc1nccnc1COCCC1CCCNC1"]
["181535586","OC(=NC1CCCNC1)Oc1ccncc1"]
["74270571","Clc1ccc(C=C[C@@H]2CCCNC2)cn1"]
["180111404","C[I]N1CCCC1[C-]1[CH-]C=I[CH-][C-]1[N+]1=IC(N(C)C)C[I]C1"]
["158851159","CN(C)S(=O)(=O)c1ccc(N=C(O)N2CCC[C@@H]2C(C)(C)O)nc1"]
["7701206","CCO[C@H]1CCCN(C(=O)CS[C@@H](C)C(=O)N=c2cc(C)o[nH]2)C1"]
["116492040","CN=C(NCC(C1CC1)N(C)C)N1CCCC(CC(=N)O)C1"]
["158827849","CC(C)(C)[C@@H]1CCCN1C(=O)Cn1cnc(C#N)n1"]
["185916756","C=C1C(C)CCN1c1cc(C)cc(O)c1"]
["134294768","COc1cc(NC2CCCN(C(C)C(=O)N(C)C)C2)cc(OC)c1"]
["111206175","CNCC1CCCN(C(C)C)C1c1cc(Br)c(Br)s1"]
["113977432","CCN1CCCC1CN(C)c1nc2sccn2c1CBr"]
["151516984","Cc1nc(C[C@@H]2CCCN(C(=O)CC(C)(C)C)C2)cc(C(=O)N(C)C)n1"]
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["MCULE-6778689888","COc1cccc(OC)c1-c1cc(C)c(C(=O)N2CCCC(=O)C2)c(C)c1"]
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["113493854","CC1CC(C)CC(C(=O)C2CSc3ccccc3O2)C1"]
["92488381","C/C(C#N)=C(/N)c1cccc(C)c1Cl"]
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["120569803","COC(=O)c1cccc2c1NC(C)C(=O)S2"]
["117498119","COc1cccc(OC)c1C(=O)N1c2ccccc2SCC1C"]
["173155885","Cc1cccc2c1SC(C)(CN)S2"]
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["157106636","C[C@H](O)C1CCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CC1"]
["175890285","COC([C@@H]1O[C@@H](n2ccc3c(N[C@@H](C)c4ccc(C5CC5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]
["82424416","NC1=CC=C(C(N=C(O)C2CCC(N3CCOCC3)CC2c2ccc(Br)cc2)c2ccc(Cl)cc2)CC1"]
["172967208","O=S1c2ccccc2OC1c1ccc(OCC2CCNCC2)c(F)c1"]
["135221674","Cc1ccc(C(C)NC(C)c2ccc(N3CCCS3(=O)=O)cc2)cc1C"]
["7506021","C[C@H](NC(O)=N[C@H](C)c1ccc(N2CCCC2=O)cc1)[C@@H]1CCCO1"]
["46319098","CC1=NN(c2ccc([N+](=O)[O-])cc2)C/C1=C\\N[C@@H](C)c1ccccc1"]
["157489354","CC(C)c1ccc([C@@H]2C[C@@H]2C(O)=N[C@@H]2CCNC[C@@H]2C)cc1"]
["135038176","CC1(C)C(N=C(O)Cc2cc[nH]n2)C2CCOC21"]
["CSSS20621677511","CC(C)c1ccc([C@@H]2C[C@H]2NCc2ccc(S(C)(=O)=O)cc2)cc1"]
["188230705","C=CC(=O)N1CCN(C(CC2CCCC2)c2ccc([C@H](C)Nc3ncc4cnc(=O)n(C(C)C)c4n3)cc2)CC1"]
["174284307","OC(C=C1C=C2C[C-]=C(C(O)=NCCn3cncp3)C=[C-]C2N1)=NC1=C=CSC1.[K+]"]
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["104131495","CN(C)[C@H](CN=C(O)C[C@@H]1Sc2ccc(Cl)cc2N=C1O)c1ccccc1Cl"]
["42500915","CCCN=C(O)c1ccc(Cl)c(N=C(O)C(C)N2CCC(C(O)=NC(C)C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)c(C)c3)CC2)c1"]
["MCULE-2825771974","CCCC(NC(=O)c1ccc(Cl)cc1)C(O)=NCCCn1ccnc1"]
["151650401","C[C@H]1Sc2ccc(C(O)=N[C@H](CC(=O)O)c3ccc(F)cc3)cc2N=C1O"]
["30970359","CC(CO)N=C(O)OCC1CCc2c(sc(N=C(O)/C=C/c3cccnc3)c2N)C1"]
["29620844","Nc1sc(-c2c(F)cccc2F)nc1C(O)=Nc1cnsc1OCCCO"]
["1259793","CC(C)CCN=C(O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1"]
["131012908","Cc1ccc(C2COCCN2C(=O)C(O)=Nc2ccc(-n3cncn3)cc2)o1"]
["MCULE-2514692723","CCCCOCCCN=C(O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)C1c1ccc(Cl)c(Cl)c1"]
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["87420659","CCc1c(C)nn(-c2nc(Cl)nc3n[nH]cc23)c1C"]
["MCULE-8732810728","CCCCc1ccc(NCc2cc(=O)c(OCc3n[nH]c(=N)s3)cn2Cc2ccccc2)cc1"]
["30210310","CC(C)COc1cc(N2CCN(C(=O)OCc3ccccc3)CC2)ncn1"]
["141006783","COc1cc(OC)c2cc(CCCN=C(O)Cc3nc(C)sc3C)[nH]c2c1"]
["63980927","Cc1nc(C)c(/C=C/c2ccc(N3CC(=O)N(CC[Si](C)(C)C)S3(=O)=O)c(OCc3ccccc3)c2)s1"]
["101580793","C=C1NNS/C1=C1\\N=NC(=O)\\C1=C/c1cn(C)c2cccc(OCc3ccccn3)c12"]
["29613970","COc1cc(C2CC3=CC=COC3c3[nH]c(=N)n(C#N)c32)cc(Br)c1OC"]
["151305614","COc1cc(N2CCC3(CC2)CN(C(C)=O)C[C@H]3COCC2CC2)ncn1"]
["110690983","CC[C@@]1(C)CN(C(O)=NCc2nc(C)sc2C)CCO1"]
["11990830","Cc1ccc(C)c(OCCSCc2nc(=N)[nH]c(=N)[nH]2)c1"]
["173447082","CNOC(=O)N1CCC(CC(O)COc2ccc3sc(C)nc3c2)CC1"]
["175659693","C.PC1=C=C(c2ncccn2)[N-]C(CCCO/N=C2\\CCC=C3C2=N[C-](P)C(P)=C3P)=C1P.[Y]"]
["175659634","C=CCOc1cc(CC)nc(C2=CC(P)=C=C(CCCO/N=C3\\CCC=C4C3=N[C-](P)C(P)=C4P)[N-]2)c1C.[Y].[Y]"]
["16368085","COc1cc(OC)c(OC)cc1CN=C(O)CCc1nc(-c2ncccn2)no1"]
["170720715","C=N/C=C1\\C(=NCc2ncccn2)CCN(c2cc(F)c(F)c(OCCCN3CCN(C(=O)OC(C)(C)C)CC3)c2)C1C"]
["176684053","CC1=C(C(=O)OCCc2ccccn2)C(C2=CCCOO2)C(C(=O)OCCc2ccccn2)=C(C)N1"]
["164536964","O=C(OCCc1ccccn1)c1cc(C(=O)OCCc2ccccn2)cc(C(=O)OCCc2ccccn2)c1"]
["129085655","Fc1cccc(OCCCc2nc(-c3ccccn3)no2)c1"]
["136697190","OC(=Nc1cnc(C2CC2)nc1)c1cnc(-c2ncccn2)s1"]
["126897332","CC(C)CCCCCCN=C(O)c1cnc(-c2ncccn2)s1"]
["48673788","CN1CCc2c(sc3ncn4nc(C5=CCCCC5=O)nc4c23)C1"]
["65283325","Cc1cc(C(N)=NO)cc(C)c1OCCc1ccccn1"]
["151132110","COc1cccc(C[S@](=O)c2ncccc2Br)n1"]
["174512591","C#[N+]/C=C(\\C)C([O-])=NC1CC1.CCC(C)=C(Cl)/C=C\\C(C(=O)N1CCC(N2CCN(C/C(C)=C(\\C)CC)CC2CC)CC1)=C(/C)[NH3+]"]
["128450878","CC(=O)N1CCC(CCC(O)=NCC(O)=NC2CC2)CC1"]
["187266990","Cc1nc(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(O)=NCc3cccnc3)CC2)co1"]
["54802504","Cc1[nH+]c(C(=O)N2CCN(CC(O)=NC3CC3)CC2)nn1-c1ccc(F)cc1"]
["190742751","CN1CC(Cc2ccc(Cl)cc2)N(C2CCN(C(=O)OC(C)(C)C)CC2)Cc2ccccc21.CN1CC(Cc2ccc(Cl)cc2)NCc2ccccc21.O=C1CCCCC1"]
["128923062","CCC(=CC(O)=NC1CCOC(C2CC2)C1)c1ccc(C)cc1"]
["130538551","CCOC1CCN(C(=O)C(C)=Cc2cccc(Cl)c2)CC1"]
["60059790","CC(C)(C)C(=O)N1CCC(N=C(O)CBr)CC1"]
["52630110","CCN(CC)C(=O)c1ccc(C)c(N=C(O)CCN=C(O)C2CCN(CC(O)=Nc3cc(C(=O)N4CCCC4)ccc3Cl)CC2)c1"]
["66568077","CC(C)OC(=O)CN1CCCC(C#N)C1"]
["22111783","CCN1CCN(C(=O)CC2CCN(C(O)=NCC3(C)CCCC3)CC2)CC1"]
["177051078","CCC1CC2CC(C)(N=O)CC(C(N)C(O)=NC3CC3)(C1)C2"]
["198325240","OC1=CC2CC3=C(O)C=C(O)C(C3)CC3=C(O)C4=CC5=C(O)C=C(CC6=C(O)C=C(O)C(C6)CC6CC(O)C7CC(C1=CC7=C6O)C2O)C(O)C5CC4C(O)C3"]
["184577374","C=C1C=C2C(=C(O)C1)C(O)=C[C@H]1CC21"]
["166250237","O=C1CC2CC(c3ccccc32)C1O"]
["149825172","CN(C)C1CC23CCC4(O2)C(=C(C(F)(F)F)CC2(C)C(c5ccc6cnc(O)cc6c5)=CCC24)C=C3C(O)C1O"]
["81878708","CC1C=C2C=C3[C@@H](O)[C@H](O)[C@@H](N(C)C)C[C@]34CC[C@]2(O4)C2CC=C(c3ccc4cnc(O)cc4c3)[C@@]12C"]
["197790735","CC(C)N1CCC(N2CCC(NC3CCC(O)=NC3=O)CC2=O)CC1"]
["82128960","N=C(N)C1CCC2NC(=C3C=C(CC(O)=NC(O)C4CC(O)C(O)C(O)O4)C=C(c4cc(S(N)(=O)=O)ccc4O)C3=O)NC2C1"]
["81878051","CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC(C)(C)[C@]2(C)C(c5ccc6cnc(O)cc6c5)=CCC42)C=C3[C@@H](O)[C@@H]1O"]
["70109844","COc1c2cccc1Cc1cc(I)cc(c1O)Cc1cccc(c1OC)CC1C=C(I)C=C(C2)C1O"]
["150367064","CN(C)C1CC23CCC4(O2)C2CC=C(c5ccc6cnc(O)cc6c5)C2(C)CCC4(Cl)C=C3C(O)C1O"]
["150976240","OC1=C(O)CC2=C[C@@H]3CCc4cc(O)ccc4[C@H]3C2=C1"]
["145160561","CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4=CCC3(C)C1C2C.O=C(O)c1cc(O)c(O)c(O)c1"]
["29931724","O=C(NCc1ccc2c(c1)N=C(O)CO2)c1ncnc2c(NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c[nH]c12"]
["MCULE-9074289151","CCCC(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(C)C)c2ccccc21"]
["102075334","CC[C@H](C(O)=N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1"]
["124438531","O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC2(CCCCC2)CC1"]
["102818231","CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1"]
["185599737","Cc1cn([C@H]2C[C@H](O)[C@@H](C(O)C(=O)c3ccc([N+](=O)[O-])cc3)O2)c(=O)n(C(=O)c2ccc([N+](=O)[O-])cc2)c1=O"]
["170306688","O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1)c1ccccc1"]
["MCULE-4630629571","CCCCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)C2c2ccc(F)cc2)cc1"]
["MCULE-4602583299","CCOc1ccc(C2=C(Nc3cc([N+](=O)[O-])ccc3C)C(=O)N(c3cccc(Br)c3)C2=O)cc1"]
["46856451","O=[N+]([O-])c1c(NCc2cn[nH]c2)ccc2ncccc12"]
["143329854","Nc1ccc([N+](=O)[O-])cc1C(O)=N[C@@H]1C=C[C@H](CO)C1"]
["MCULE-7683378235","CC(C)COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)cc([N+](=O)[O-])c2)cc1"]
["78538745","C=CCCC(O)=N[C@@H](C)C(O)=N[C@@H](N[C@@H](C=O)C(C)C)C(=O)N(CC=C)[C@@H](NCC=O)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=N[C@@H](N[C@@H](C=O)CC(C)C)C(O)=N[C@@H](N[C@@H](C)C=O)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=NC"]
["146153428","C=CCCC(O)=NC(C)(CN)CC(C)C.Cl.Cl"]
["55268870","CCN=C(O)[C@@H](C)N=C(O)CCNC(=O)c1ccc(Br)cc1"]
["126058373","CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(O)=NCCC(O)=NC(C)C"]
["154020175","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](N=C(O)[C@@H](CC(C)C)N=C(O)CN)[C@@H](O)[C@@H](C)O1"]
["MCULE-5330090250","C=CCN(CC=C)C(=O)C(Cc1ccccc1)N=C(O)c1cc(Cl)ccc1OC"]
["195397503","COCC(NC(=O)C1=NOC(C)[C@H]1C)C(O)=N[C@@H](C)C(O)=NC(Cc1ccc(OC)cc1)C(=O)C1(C)CO1"]
["91239106","CC(C)CC(N=C(O)C(N=C(O)C(C)N=C(O)C(CO)N=C(O)C(N)CCC(=N)O)C(C)O)C(O)=NC(CCCNC(=N)N)C(=O)O"]
["MCULE-1397111828","C=CCN(CC=C)C(=O)C(CCSC)N=C(O)c1ccc(=O)n(Cc2ccc(F)cc2)c1"]
["82820882","C=CCNC(=O)C(=O)C(CC1CC1)N=C(O)C1CC(CC)CN1C(=O)C(N=C(O)C(N=C(O)C(C)(C)C)C1CCCCC1)C(C)(C)C"]
["10191924","C/C=C/c1ccc(OCC(O)=N[C@@H](CC(C)C)C(O)=NC)c(OC)c1"]
["76943194","CC(=O)CC[C@H](N=C(O)[C@H](CC(C)C)N=C(C)O)C(=N)O"]
["179048104","CC(O)C[NH+](CC(C)OSCC[Si]12OC(C)C[N+](CC3CN4CC5O[Si](CCCCl)(O3)OC5(C)C4)(CC(C)O1)CC(C)O2)CC(C)OC(C)C"]
["95579954","CNC(C)c1ccc(Br)cc1N1CC(CO)OC(C)(C)C1"]
["68835609","CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCC(=O)N(CCC[NH2+]Cl)C[C@@H](O)CCNCl)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1"]
["42484159","CC1CN(c2ccc(C(C)O)cc2)CC(C)(C)O1"]
["160360510","COc1c(C)cnc(Cn2cnc(N=C(O)C3COC(C)C3)n2)c1C"]
["180164167","C[C@@H]1[C@@H](C)C/C=C/[C@@](O)(Cc2nccn2C)[C@@H]2CCC2(C)CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(O)=NS1(=O)=O"]
["12501476","CC(C)OCc1c(C(=O)N2C[C@H](C)OC(C)(C)C2)oc2ccccc12"]
["124570606","Cc1cccc(C)c1OCC(O)CN1CC(C)OC(C)(C)C1"]
["127446233","CCSCCC(C)N=C(O)N1CCS(=O)(=O)C(C)(C)C1"]
["CSSS00081637829","CC1CN(C(=O)c2cnns2)CC2(CCCCC2)O1"]
["MCULE-6083626998","CCc1nc(Nc2cccc(Cl)c2)cc(N2CC(C)OCC2(C)C)n1"]
["175080468","C=CCC(C)C(O)C(C)CCCC1(C)OC1C/C(C)=C/N=C(C)SC=C"]
["178555610","CC1CC2C3C4C5CC6C7C8CC9C%10C%11C%12CC%13C1C%121N(C(=NCC#[NH+])C%12N[C@@H]%14CC[C@H]%12C%14)C2(C)C3(C9(C)C)C42C56C7%10[C@](C)(C%138%11)C12C(C)C"]
["195976221","CCC(C)C(CC)C12C3CC(C3)C3C(CC1C(CC)C(C)C2C)C3(C)C(C)C"]
["178110748","CCc1sc(C2=CC=CCC2)c(CC)c1N1C=CN2C1C1CC(c3c(C#N)cccc3C#N)CCC1C1(C)C[C@]21C"]
["184278059","N#C[C@@H](CC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)Cc1ccc(N2CCN(C3CC3)CC2)cc1F"]
["176784628","CCS(=O)(=O)N1CCC(c2ccc(C[C@@H](C#N)N=C(O)[C@H]3N[C@@H]4CCC3C4)cc2)CC1.[HH].[HH]"]
["179425243","CC1C2(C)C3CC4CC5C6CC7C8C9C%10C%11CC3C%111C%101C2(C)C2(C)C(C)(C467)C58C921"]
["75965522","N#C[C@H](Cc1ccc(-c2ccc3c(c2)S(=O)(=O)NC3)cc1)N=C(O)[C@H]1N[C@@H]2CC[C@H]1C2"]
["82254554","CN1CCN(c2ccc(C[C@@H](C#N)N=C(O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1"]
["193921495","CN1CCC2(CC1)OCc1ccc(-c3ccc(C[C@@H](C#N)CC(=O)C4N[C@@H]5CC[C@H]4C5)c(F)c3)cc12"]
["149921167","C#Cc1cc(-c2ccc(CC(C#N)N=C(O)C3NC4CCC3C4)cc2)ccc1F"]
["153993766","C[C@@H](N=C(O)N(CC1CC1)N=C(O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(O)=N[C@H](CN1C(=O)[C@H]3CC[C@@H](C3)C1=O)C(C)(C)C)C(C)(C)C)C2(C)C)c1ccccc1"]
["82275167","N#C[C@H](Cc1ccc(-c2ccc(C(=O)N3CCn4nccc4C3)s2)cc1F)N=C(O)[C@H]1N[C@@H]2CC[C@H]1C2"]
["172152858","Cn1cc[n-]c1=[N+]1C=C[C-]2[C-]1[N-]C(N1C3=C=C4C(=[N+]3C3[C+]=CC=[C]C31)c1ccccc1C4[Si](=C1C=C[CH-]C=C1)c1ccccc1)=[N+]2C.[Co]"]
["79453685","CC1=C([Si](C)(C)c2c(C)[c+]c3c2C(c2ccccc2)=CC=CC=3)C2C(=C1)CC=C=CC2=C1C=C[CH-]C=C1"]
["17406530","CCC[C@H]1CCC[C@H]2OC[C@H](c3ccccc3)N12"]
["33748731","Cc1cn([C@H]2C[C@H](F)[C@@H](COC(=O)CC[C@H](N=C(O)OCC3c4ccccc4-c4ccccc43)C(=O)OC(C)(C)C)O2)c(=O)nc1O"]
["198858644","Cn1ncc(-c2ccccc2-c2cnc(CCC(=O)O)o2)n1"]
["90747815","CSCC1C(=O)SCC(N=C(O)OCC2c3ccccc3-c3ccccc32)C(O)=NCC(=O)N(C)C2CSSCC(C(=O)N1C)N(C)C(=O)CN=C(O)C(N=C(O)OCC1c3ccccc3-c3ccccc31)CSC(=O)C(CSC)N(C)C2=O"]
["42024143","N#CC1C(c2ccccc2)N(c2ccccc2)C2c3ccccc3C=CN12"]
["130965001","COc1ccccc1-c1nn(C)cc1C(O)=NC1CCc2ncnn2C1"]
["180613195","CCC[N+]1=C2C(=c3ccccc3=CC(OCC)c3ccccc32)[N-][N-]1.C[C-](CC(C)(C)C)C(=O)C(C)(C)C.[Y]"]
["197583067","COCC1(C(=O)O)Cc2ccccc2N1C(=O)OCC1c2ccccc2-c2ccccc21"]
["172431728","Cc1ccc2c(c1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C(C(=O)O)C2"]
["173700924","C=C[C@H]1c2ccccc2/C(=C2\\C(C)(N(C)/C=C\\C)C2(C)C2(C)C=CC=CC2)N1C"]
["191388739","CC[n+]1ccn(Cc2ccccc2Cn2cc[n+](Cc3ccc(Cn4cc[n+](Cc5ccc([CH-][n+]6ccn(Cc7ccccc7)c6)cc5)c4)cc3)c2)c1.CCc1ccccc1Cn1cc[n+](CC/C=C\\CCn2cc[n+](CC)c2)c1.Cc1ccc(C[n+]2ccn(Cc3ccc(Cn4cc[n+](Cc5ccccc5)c4)cc3)c2)cc1"]
["MCULE-5857472702","CCc1nn(Cc2ccc(C)cc2)c2c1C(c1ccc(O)c(O)c1)C(C(O)=NCc1ccccc1)=C(N)O2"]
["56605163","Cc1ccc2nc(-c3ccccc3Cl)cc(C(=O)N3CCN(Cc4ccccc4)CC3)c2c1"]
["MCULE-6839881438","CCSCc1cc(=O)c(OCC(O)=NCc2ccco2)cn1Cc1ccc(C)cc1"]
["81523135","CCOC(=O)c1c[nH]c2c(c1=NC1CC3CCC(C1)N3Cc1ccccc1)C=CC2"]
["MCULE-2940213902","CCc1ccccc1C(O)=Nc1cc(C)cc(-c2cnn(Cc3ccccc3)c2)c1"]
["102176914","CCN=C(O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1"]
["49079689","Cc1ccc(CN2C(=O)C(C)N=C(O)C2C)cc1"]
["131916840","Cc1ccc(Cn2nccc2NC(=O)c2cnn(Cc3ccccc3)c2C)cc1"]
["187972556","C=C1C=C2C(C3CCOCC3)N(Cc3ccc(CC)cc3)CCN2C=C1CCc1ccccc1"]
["121799339","CCn1nccc1C=CC(O)=Nc1cccn(Cc2ccc(C)cc2)c1=O"]
["27471319","CCOC(=O)c1c(N2CCN(C(=O)C3CC=CS3)CC2)c2cc(C)ccc2n(Cc2ccccc2)c1=O"]
["176503324","[B+]=[O+]c1cccc(N2c3ccc([O-])cc3OCC2C2=[C-]C[C-]=CC2)c1.[Y]"]
["MCULE-1468846639","CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)C2c2ccc(C)o2)c1"]
["25317695","CCOC(CN1c2ccccc2OCC1Cc1ccc(S(C)(=O)=O)cc1)OCC"]
["175179952","CCCCc1ccc(C2=NNC(c3cccc(-c4cccc(N5C(c6ccc(C)cc6)=CCC5c5ccc(C)cc5)c4)c3)O2)cc1"]
["45176625","OC(c1cc(F)c(Br)cc1F)C1COc2ccccc21"]
["5978586","COc1ccc(N=C(O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)c(OC)c1"]
["154832945","N=C(O)C1CN(C2CN(C(=O)C3COc4ccccc4C3)C2)C1"]
["149212086","COc1ccc2c(c1)c(C1C(c3ccc(Cl)cc3)=C(O)C(=O)N1c1cccc(C)c1)cn2C"]
["47994777","CC[C@H](C)N1CC(=O)N(c2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21"]
["148205165","CCN(CC1COc2ccccc2O1)C(=O)CN1CCCC(C(=O)O)C1"]
["MCULE-1328397143","CCOc1cccc(C2C(C(=O)c3ccc(OCC)cc3OCC)=C(O)C(=O)N2c2cccc(OCC)c2)c1"]
["52113994","O=C1COc2ccccc2N1CC(O)=NC1c2ccccc2Oc2ccccc21"]
["82775992","CCCN1C(=O)C2C(=[N+](CCC)C1=O)N(N1C3=[N+](CCC)C(=O)N(CCC)C(=O)C3=NC1C13CCCC(O)(CCC1)O3)CN2CN1CCCC1"]
["169697052","CCCN1CCCCC1C(=O)N1CCC2(CC1)CN=C(O)C2"]
["160175753","CCCN1CCC(CN=C(O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1"]
["MCULE-3688558856","CCCN1CCN(C(=O)C(Cc2ccc(F)cc2)N=C(O)c2cc(-c3ccc(F)cc3)n(C)n2)CC1"]
["163565304","COc1cc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC"]
["MCULE-3904491133","CCc1noc(CC)c1C(=O)N1CCC2(CCCN(Cc3cnc(OC)nc3)CCCCn3nccc3C(=O)N(C)C2)CC1"]
["151867192","CC[C@H](C)N1C(=O)C2=NC(C)=CC2=N[C@H]1SCC(=O)N1CCCC1"]
["163776423","Cn1ccc(N2CCC(N=C(O)C(F)(F)C3(O)CCC3)C2=O)n1"]
["82574065","COC1=C=CC2CC3C4C=[C-]C(=O)C5O[C-]1C2C54CCN3C.[Mg+2]"]
["31643860","CCCC1CCN(CCC)C(=O)CCCC(O)=N[C@H]([C@H](O)CNCc2cccc(CC)c2)Cc2cc(F)cc(c2)OC1"]
["77090827","CCCC(=Cc1cc(I)c(O)c(OC)c1)CCC1OCC2C1=C(CCC)CC1C(=O)N(CCC)C(=O)C12"]
["121898185","CCCCC1N=C(O)N(CN2CCC(OCCN3CCCC3)CC2)C1=O"]
["185791856","Cc1ccccc1-c1ccc2c(C(C)C[n+]3ccc4ccc(-c5c(C)cccc5Cc5ccccc5-c5ccc6cnccc6[n+]5C)[n+](C)c4c3)cncc2[n+]1C"]
["81881390","Cc1ccncc1-c1cccc2c(Oc3ccccc3)coc12"]
["100314066","Cc1ccccc1-c1n2c3c(cccc3[n+]1C)C(C)c1ccccc1-2"]
["8173167","CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C)n2CCOC"]
["197955485","COc1c(C)cccc1CNS(=O)(=O)CCOCC(C)C"]
["4775483","Cc1ccccc1-c1noc(C[NH2+]CCOc2nonc2C)n1"]
["76378338","CCC(C)c1ccc(NC(=O)CSc2n[nH]c(=NN=Cc3ccccc3OCc3ccccc3Cl)n2N)cc1"]
["MCULE-6705912206","COc1ccccc1CCC(O)=Nc1cccc(C)c1-c1ccc(OC)c(OC)c1OC"]
["MCULE-4910723746","CCOc1ccccc1-c1c[nH]cc(C)c1=NC(=O)c1cccnc1C"]
["29976502","Cc1ccccc1Cc1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1"]
["155207481","Cc1cccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c1F"]
["8155522","Cc1ccccc1-c1nnc(SCc2csc(COc3ccccc3)n2)o1"]
["195728608","C[N+]1(C2=C=C3C(=C4[C+]=CCC=C4B4c5ccccc5[C-]5C=CC(n6cnc7ccccc76)=C=C5N43)C=C2)CN=C2C=CC=C[C-]21.[Po]"]
["31360845","Cc1ccc(S(=O)(=O)n2ccc3nc4cnc5ccccc5c4n32)cc1"]
["82629877","O=C(OCCC(C1CCCC1)n1cnc2ccccc21)Oc1ccc([N+](=O)[O-])cc1"]
["139975555","O=C1C(N=C(O)Nn2cnc3ccccc32)CCCN1c1cccnc1"]
["2212200","Cc1cccc(C(O)=NCCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1"]
["16285874","O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(-n2cnc3ccccc32)cc1"]
["34385162","CN(C)C1(Cc2ccccc2)CCC(c2[nH]c3ccc(F)cc3c2CCn2cnc3ccccc32)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O"]
["MCULE-2085474014","CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(O)=Nc2ccc(-c3ccnc(F)c3F)c(F)c2)cc1"]
["121171904","CC(CS(C)(=O)=O)C(O)=NCCCn1cnc2ccccc21"]
["199434734","Cc1ccc2c(c1)B1c3cc(C)ccc3Cc3c(-n4cnc5ccccc54)ccc(c31)C2"]
["143009854","CC(c1ccccn1)N(C)C(O)=NCc1cccc(Cn2cnc3ccccc32)c1"]
["MCULE-7126996091","OC(=Nc1ccc(C(F)(F)F)cc1)c1ccc(-n2cnc3ccccc32)cc1"]
["34197435","COC(=N)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@@H](C)/C=C/C=C/C(C)C)n2)[nH+]1)OC.F[B-](F)(F)F"]
["173650508","C.COC1=C=CC2C(=[C-]1)c1cc(=O)c(C(=O)[O-])cn1C(C(C)C)C2c1cncs1.[U+2]"]
["175271823","CC[C@@H](C)C(=N)CCc1nc(-c2ccc(OCc3csc(C)n3)cc2)oc1C"]
["177231606","CCC(C)[C@H](N=C(O)[C@H]1CCCCN1)C(=O)N(C)[C@H](C[C@@H](O)c1nc(C(=O)OC)cs1)C(C)C"]
["MCULE-4657917411","Cc1ccc(-c2csc(C(C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1"]
["MCULE-8746483014","COc1ccc(-c2ccc(F)c(N=C(O)c3csc(C)n3)c2)cc1OC"]
["105137076","C[C@@H](Oc1ccccc1Cl)C(O)=NCc1nc(-c2ccccc2)cs1"]
["134921509","COC(C)c1nc(CS(=O)Cc2cc(C)cc(C)c2)cs1"]
["199515437","Cc1cnc(-c2csc(C(C)C)n2)[nH]1"]
["140023198","Cc1cc(O)ncc1C(O)=NC(C)c1nc(-c2ccccc2)cs1"]
["173291677","CC(CC(=N)O)Cc1cccc(Oc2csc(C(F)(F)F)c2)n1"]
["MCULE-1337597561","COc1ccc(C=CC(=O)C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1"]
["197762078","[B+]=C1[CH-]C(N(c2ccc3c(c2)C(C)(C)c2cc([C-]4[CH-][CH-][CH-][CH-][CH-]4)cc(-c4c[cH-][cH-][cH-][cH-]4)c2-3)c2c3c4[cH-]c(=[B+])[cH-]c(=[B+])c=4o[c-]-3c(=[B+])[cH-]c2=[B+])=C2C(=c3c(cc(=[B+])c(=[B+])c3=[B+])C23c2cc(=[B+])c(=[B+])c(=[B+])c2=c2c3cc(=[B+])c(=[B+])c2=[B+])C1=[B+]"]
["177404264","Cc1ccc(-c2cc3c(c4c2oc2ccccc24)-c2ccc(N(c4ccc5c(c4)C(CCc4ccccc4)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C(C)(C)c4ccc5oc7ccccc7c5c4-6)cc2C3(C)C)cc1"]
["171416276","CC1CCCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)c3ccc4ccccc4c3)cc2)C1"]
["172199816","CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5cc6sc7ccccc7c6cc5c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21"]
["166775957","CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4sc5ccccc5c4c3)cc21"]
["83273724","CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc1c(-c3c(F)cccc3F)c3c(cc1c2-c1c(F)cccc1F)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2)ccc1-3"]
["166775809","CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3cccc(-c4ccccc4)c3)cc21"]
["177407893","CC1(C)c2cc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3c5c(c6oc7ccccc7c6c3-4)-c3ccccc3C5(C)C)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(C)C"]
["171439093","CC1(C)c2ccccc2-c2cc(-c3cccc4c3-c3ccc(N(c5ccc(-c6cc7ccccc7cc6-c6ccccc6)cc5)c5ccc(C6CCCCC6)cc5)cc3C4(C)C)ccc21"]
["190215802","C.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)cc21.[HH]"]
["175837009","C=c1cc2c(cc1CCC[NH2+]CCCN=O)=Cc1ccc(N(C)C)cc1C2(C)C"]
["163887220","CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c3cccc4c3-c3ccccc3C4(C)C)cc21"]
["179404614","CCCC=C1C=CC=C(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc([Br+]CCC([O-])c3cccc(OC4=NC5C(C(=O)N(C)C(=O)N5C)N4Cc4cccc(Br)c4)c3)c2)[CH-]1"]
["6113379","Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1C(C)C"]
["111072805","O=C(O)c1ccc2c(c1)CC(=O)N2Cc1cccc(Br)c1"]
["20340945","C[C@@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1"]
["MCULE-1961523998","COc1cccc(CN2CCN(C(=O)c3ccc4c(c3)nc(C)n4C)[C@@H](C)C2)c1.Cl"]
["81547186","CC=C(C)C(O)=NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3cccc(OC)c3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(=O)CC)C(=C1C)C2(C)C"]
["857875","CC(C)n1c(SCC(O)=Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C"]
["153151842","CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1"]
["42074203","Fc1cc2c(cc1Br)nc(S)n2Cc1cccc(Br)c1"]
["101269175","CC#CCn1c(N2CC(O)=N[C@H](CO)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C"]
["178998202","C=Ic1cc(C)ccc1-n1c(=O)n(Cc2ccc(OC)cc2)c(=O)c2c(Oc3cccnc3C)cc(=O)n(C)c21"]
["21961534","Cn1c(=O)c2c(nc(N3CCCC3)n2CCSc2[nH+]c3ccccc3s2)n(C)c1=O"]
["180862666","C1=CNC(NC2=NC3=CCC(c4ccc(-c5ccc6c7c5C=CCC7C(N=C5C=CC(CCCC7=CC[NH2+]C=C7)=N5)N6)cc4)C4=C3C2CC=C4)C=C1"]
["74262900","O=C(CCCCCCC(O)=NO)Nc1ccc(C2CC(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)OC(C3C=CC(CO)=CC3)O2)cc1"]
["176182692","C/C=C\\c1oc2c(-c3ccc(N(CC)c4ccc(C5C=CC=CN5)cc4)cc3)cccc2c1CC.C=C/C(=C\\C=C(\\C)CC)C(CC)(C(=C)C)C1=C=C=CC=C1C(C)CCCC.CC"]
["178567495","C=C(Nc1ccc(C2CC3C=CC(C(=O)CC4=CCC(F)C=C4)CC3C2=C)cc1)C1C=CC=CC1"]
["170855907","O=C(CCC(=O)C1C#CN=C/C=C\\N1)c1[nH]nc2c1C=CC=CC2"]
["180666822","C1=CC2=C(C3=NC(C4CC=Cc5oc6c(C7C=CC(C8N=C(c9ccccc9)c9sc%10ccccc%10c9N8)=CC7)cccc6c54)=NC(c4ccccc4)N3)[C@@H]2C=C1"]
["31236546","COc1ccc(C2CC=Cc3c2ccc(-c2ccccc2)c3COC(C)=O)cc1"]
["82811263","COc1cc(OC)cc(C2=C(C[NH3+])C(=NCC3C=C(n4cccc4)C=CC3)N=C3C2C(=O)N(C)C(=O)N3C)c1"]
["169994206","COC1=CC(c2cc3c(-c4ccc(OC5CCN(C(=O)CO)CC5)c(C#N)c4)ncnc3[nH]2)CC=C1N1CCOCC1"]
["180385115","CN1C=C(C#N)C=CC1NC1NC2=CCC(C3=CCC(C4CC=C5NC(Nc6ccccn6)C6=CCCC4=C56)C=C3)C3=C2C1CC=C3"]
["170618631","CCn1ncc2c1O[C@@H](C)CNCc1c(c(OC(C)C)nn1CCO)/C=C/c1n[nH]c3ccc-2cc13"]
["171806042","CCC1c2nc3ccc(CCCCO)cc3n2-c2c(OC(F)F)cccc2C(=O)N1C"]
["177031132","N=C(C(=Cc1ccc(Cl)c(-[n+]2cccc(C(O)C(=Cc3ccsc3-[n+]3cccc(C(O)c4c(-c5ccc(Cl)s5)noc4-c4cccc(I)c4)c3)C(=N)c3ccc(Cl)s3)c2)c1)C(O)c1cccnc1)c1csc(Cl)c1"]
["128258814","CC(C)C(NC(O)=Nc1cccc(C(F)F)c1)c1nc(-c2cccnc2)no1"]
["176223019","CNc1cc(C(=N)C2=C(N)CC(C)(C)CC2)cc(-c2cccnc2)c1.OC=NCc1cccnc1"]
["9784138","Cc1cc(CN=C(O)N(C)[C@@H](c2ccc(Cl)cc2)c2cccnc2)no1"]
["153602822","COc1cc(/C=N/N=C(O)[C@H](OC)c2cccnc2)cc(OC)c1Br"]
["157408587","CC(C)[C@@H](CN=C(O)C(C)(C)N)c1cccnc1"]
["175736856","N/C(=C(/Cc1cccnc1)C(=O)c1ccc(Cl)s1)c1ccccc1F"]
["139649719","OC(=NCCN=C(O)c1cc(-c2ccc(Cl)cc2)on1)c1cccnc1"]
["MCULE-4486329814","N#CC(=Cc1ccc(Cl)cc1)C(O)=Nc1nc(-c2cccnc2)cs1"]
["198251319","CCC1CC(S(=O)(=O)c2cc(C(O)=Nc3cc(F)c(F)c(F)c3)ccc2Cl)C[C@H](C)[C@@]1(O)CNS(=O)(=O)c1cccnc1"]
["MCULE-7550269560","CC(=O)Oc1ccc(CC(NC(=O)c2ccc(F)cc2)C(O)=NCC(c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1"]
["122409486","CCN(C(O)=NCc1ccc([N+](=O)[O-])cc1Cl)C(C)c1cccnc1"]
["78790342","CCCOc1c2cc(-c3sc(Cc4cc5c(C)c6sc(-c7sc([BH2-]C8=[S+]C(=c9cc%10c(C)c%11sc(=c%12sc(C)c%13sc(=C(C)[O])cc%12%13)cc%11c(C)c%10s9)C=C8)c8sc(C(C)=O)cc78)cc6c(C)c5s4)c4sc(C(C)=O)cc34)sc2c(OCCC)c2cc(C)sc12"]
["190333660","CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)N(C)c5ccccc5)cc4F)c3s2)o1"]
["MCULE-2403011687","CC(=O)c1ccc(-c2ccc(OCCCC(O)=Nc3ccnnc3)cc2)s1"]
["154075585","CCCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1"]
["149567240","COc1c2ccncc2c(OC)c2sc(C(C)=O)cc12"]
["14060137","CCOC(=O)C1=C(CSc2ncnc3sc(-c4ccccc4)cc23)NC(O)=NC1"]
["164037344","CCc1cc(O)c2cc(C)sc2c1/N=N/c1ccnn1C"]
["91709086","CCCCCCCCN1C(=O)c2c(-c3cc(CCP(=O)(OCCCC)OCCCC)c(C)s3)sc(-c3cc(CCP(=O)(OCCCC)OCCCC)c(-c4cc5c(OCC(CC)CCCC)c6sc(C)cc6c(OCC(CC)CCCC)c5s4)s3)c2C1=O"]
["184289719","CCCCC(CC)COc1c(C)c(C=C(C)C)c(OCC(CC)CCCC)c2sc(-c3sc(C)c4c3C(=O)N(CC(CC)CCCC)C4=O)cc12"]
["MCULE-1186891025","CCCOc1ccc(C2CSc3nnc(-c4cccs4)n3N2C(=O)CCc2ccc(CC)cc2)cc1"]
["54918406","CCCCCCCCCCCCOc1cc2c(-c3cc4cc5c(OCCCCCCCC)c6sc(C)cc6c(OCCCCCCCC)c5cc4s3)sc(C)c2s1"]
["170824622","COc1cc2sc(CC3CCC3C(=O)O)cc2c(F)c1OCCCOc1c(OC)cc2sc(C(=O)CC(C)C(=O)O)cc2c1F"]
["76281492","CCC(C)C(N)C(C(=O)Cc1cnc[nH]1)N1Cc2ccccc2CC1C(O)=NC(CCSC)C(=O)O"]
["142908536","COC(=O)C(C)(C)CN=C(O)CCc1ccc(OC(F)F)cc1"]
["21680599","CCN(CC)C(=O)C1CCN(C(=O)c2ccc3c([O-])nc(S)nc3c2)CC1"]
["174819145","Nc1cnn(C23CN2CCO3)c1Cl"]
["190447328","COc1c(C(C)C)cc(C=C2C(O)=Nc3ccc(C(=O)O)cc32)cc1C(C)C.OC1=Nc2ccccc2C1"]
["MCULE-1786459880","O=S(=O)(N=C(O)Oc1cc(F)ccc1Cl)c1ccc(CCN=C(O)C(F)(F)F)cc1"]
["107534082","CC[C@@H](C)NCc1cc(C)nc2cc(Cl)cc(Cl)c12"]
["31069872","Clc1c(OCCNCc2ccco2)ccc2cc(Br)ccc12"]
["29663843","CN(C)CCCN(C)C(=O)c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1"]
["MCULE-9167712904","COc1ccc(N2CC(C(=O)N3CCN(CC=Cc4ccccc4)CC3)CC2=O)cc1OC"]
["180381989","CC1CCC(C)C(N(C)N)C(C)CC1"]
["102627452","CN1CCN(C[C@H]2CCCCC[C@@]2(O)CCCc2ccccc2)CC1"]
["58632223","CSCc1cc(Cl)ccc1Br"]
["45524855","CC1=CC(=O)C(=CNc2ccc(C(=O)O)cc2)C(C)=C1Cl"]
["25195855","CCCCn1ncc(C(=O)c2ccc([N+](=O)[O-])c(C(C)=C(C)C)c2C)c1OS(=O)(=O)C(C)CC"]
["MCULE-3391533249","CC[C@H](C)[C@@H](C(O)=Nc1cc(OC)c(Cl)cc1OC)n1nnc2ccccc2c1=O"]
["SN0007152","C=C1C(=O)C23C(O)CC4C(C)(CC=O)CCC(O)C4(C)C2C(=O)CC1C3O"]
["MCULE-8729258821","CCCCS(=O)(=O)N(CC)C(CCC)C(=O)Nc1ccc(Br)c(C)c1"]
["20095330","O=[N+]([O-])c1ccc(C[NH2+]CCN2CCCCCC2)o1"]
["131093065","O=C1c2ccccc2NC2(C(=O)Nc3cc(F)c(Cl)cc32)N1Cc1ccco1"]
["MCULE-1640872478","Cc1ccc(C(O)=Nc2cc(C)c(Cl)cn2)cn1"]
["MCULE-4406735452","COc1cc(Cl)c(OC)c2c(=O)cc(C(O)=NCc3ccc(S(N)(=O)=O)cc3)[nH]c12"]
["172934101","Cc1ccc(-c2cccc3c[n+](C)c(-c4cc(C)cc(C)c4C)cc23)nc1"]
["18307414","O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCc2ccccc21"]
["145679563","CSCC(C)NC1CCC(NC(=O)O)CC1"]
["163291883","NCC=Cc1c(O)c(F)cc(Br)c1F"]
["MCULE-7663786555","CC(C)c1ccc(C=CC(=O)N2CC(O)CC2C(O)=NCCCn2ccnc2)cc1"]
["MCULE-7287247603","COc1ccc(-c2cc(C(O)=Nc3cnc(OC)c(C)c3)ccc2OC)cc1F"]
["157294302","O=C(c1ccc2[nH]ccc2c1)N1CCC(F)(F)[C@H](COCC2CC2)C1"]
["3111147","COc1cc(/C=N/N=C(O)CCc2ccccc2)cc(OC)c1OC"]
["186697582","CC1Cc2cc3ccc(CCC4CCC(n5ccc6c(N)ncnc65)C4)cc3nc2N1"]
["22857769","CC(C)COCCC(O)=NC(C)c1cc2c(cc1Br)OCCO2"]
["156247678","CCNCC(N=O)c1ccncc1N=C(O)C(C(N)N=O)C1NCC(F)CN1C"]
["132456591","COCCCN(CCOCC(F)(F)F)C1CCS(=O)(=O)C1"]
["178724400","CNC1CCC(CC2CCC([NH2+]C)CC2)CC1"]
["MCULE-1152153635","CCCOc1ccc(-c2csc(N=C(O)C3COc4ccccc4O3)c2C(=O)OCC)cc1"]
["153207654","C=C(C)[C@@H]1Cc2c(cc3oc(-c4ccc(O)cc4)c(OC)c(=O)c3c2O)O1"]
["186841264","CCn1c2c(c(=O)n(CC3CC3)c1=O)CN(Cc1ccccc1)CC2"]
["180024528","C[N+](C)(C)Cc1cc(O)n[nH]1"]
["143103380","CC(C#N)Oc1ccc(CN2CCCC2C(O)=NC2CC2)cc1"]
["126398066","CC(=O)c1ccc(OCc2nc(-c3cccc(Br)c3)no2)c(F)c1"]
["MCULE-8527202139","CSCCCC(O)=Nc1nc(N2CCN(c3ccccc3Cl)CC2)nn1C1CCS(=O)(=O)C1"]
["75508257","O=Cc1cc(S(=O)(=O)c2cccc(Br)c2)n(-c2cccnc2F)n1"]
["19342460","COc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1"]
["134564490","Cc1cccc(-c2nc(CC(O)=Nc3cnn(Cc4ccccn4)c3)cs2)c1"]
["187518176","CCSC(CC(C)(C)C(C)C)C(C)C"]
["MCULE-3438119975","Oc1cncc(-c2cc3nc[nH]c3cc2F)c1"]
["150282154","N#Cc1ccc(N2CCCc3c[nH]cc32)cc1"]
["168453900","C[Si](C)(C)C([Si]#[Si]C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C"]
["53368141","C=CCN(C(=O)C1N(CCCO)C(=O)[C@@H]2[C@@H](C(=O)OCC)[C@@H]3OC12CC3Br)C(C)CCC"]
["171458141","c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3c3ccccc3n4-c3cccc4c3c3ccccc3n4-c3ccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3)cc2)cc1"]
["199578174","COC(=O)c1c(N)c(C#N)cn1-c1ccc2[nH]c(C)cc2c1"]
["160088316","CCc1nnc(C)cc1C(=O)N1CCCC1c1ccc2c(c1)OCO2"]
["82794599","C=C(N=CC=CN)c1ccc(C)nc1C(=O)N1CC2CC2CC1COc1cccc(C(F)(F)F)n1"]
["82271025","CCC(C)(O)C1CCCCC1COc1cccc(O)c1C=O"]
["MCULE-1277147337","CN1CCc2nc(N=C(O)C3CCN(C(=O)C=Cc4ccc([N+](=O)[O-])s4)CC3)sc2C1"]
["142318129","Cn1ccnc1CC1CCN(C(=O)c2ccc(Br)c(O)c2)CC1"]
["20164297","Fc1ccc(CN2CCN(c3cccc[nH+]3)CC2)cc1Br"]
["75555712","COc1c(C)cc2c(c1O)[C@H]1N[C@@H](C2)[C@H](C#N)N2C1[C@@H]1SC[C@H](N=C(O)C(C)N=C(C)O)C(=O)OC[C@H]2c2c3c(c(C)c(OC(C)=O)c21)OCO3"]
["151869329","C[C@@H](C(O)=NCCC1=c2ccccc2=NC1)c1ccc(C[C@H]2CCCC2=O)cc1"]
["73657840","N=C(O)c1ccc(Br)cc1Cl.O=S(=O)(O)/C=C/c1ccc(OC(F)(F)F)cc1"]
["15321601","OC(CSc1nncc2ccccc12)=NCCC1CCCCC1"]
["76796752","COC(=O)C1=CC(OC(=O)c2ccccc2)C2OC(C)(OC)C(C)(OC)OC2C1"]
["MCULE-2588046030","O=C(O)Cc1cccc(-c2ccc(N=C(O)c3ccc(N4CCOCC4)cc3)cc2)c1"]
["MCULE-4870910243","COc1cc(OC)c(C(=O)N=c2cc[nH]cc2-c2cc(C)cc(F)c2)cc1OC"]
["92670317","Fc1ccc(-c2cncc(CNC3CC3)c2)c(Cl)c1"]
["86678314","CCC(C)N(CC)c1ccc(CC(C)N)cc1Cl"]
["42250178","CC(C)N(Cc1cccs1)Cc1cc(C#CCN)cs1"]
["150177577","COc1cc(C=C(C#N)c2c[nH]c3ccc(OC)cc23)cc(CO)c1"]
["81543742","CC(=O)C1CC(SC2=C(C(=O)O)N3C(=O)C(C(C)O)C3C2C)CN1C"]
["139101472","CC(CCn1cccn1)OC(=O)CCC1CCC(C)O1"]
["MCULE-3401368756","Cc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c(F)c(-c2ccc(F)cc2F)c1"]
["62829919","CCOc1ccccc1N=C(O)C(N=C(O)C1CCN(C(C)C(O)=Nc2ccc(Cl)c(C(=N)O)c2)CC1)C(C)C"]
["22093754","Cc1c(O)ccc2c(CN3CCC[C@H]3c3cccs3)cc(=O)oc12"]
["15344155","Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(O)=NC(C)(C)C)c2ccc(F)cc2)cc1"]
["175473233","C/C=C(C)\\C(C)=N\\C(C)=C\\C"]
["5710611","COc1ncccc1N=C(O)N1CCC(N(C)c2ccccc2)CC1"]
["172956576","CCOCC(=O)C1CCC2C3CCC4=C/C(=N/OC)CCC4=C3C(c3ccc(N(C)C)cc3)C[C@]12C"]
["182145638","CCCCOCCC(C)=CN=[N+]=[N-]"]
["144645176","C[C@@H](Cc1ccc(-c2ccc(C#N)cc2)cc1)N=C(O)C1Cc2cc3c(cc2CN1C(=O)c1c(F)cc(F)cc1F)O[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(O)=N3"]
["127024626","C=CCCN1CCN(CCC=C)[C@H](C)C1"]
["10118585","O=C1N(c2ccc(N=C(O)Cc3c(F)cccc3Cl)cn2)CCN1C1CCCC1"]
["81875303","CCCOC1CN(C(=O)OC(C)(C)C)CC1Br"]
["5164697","CS(=O)(=O)c1ccc(N=C(O)C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1"]
["76043212","CC(O)=NC(C)Cc1ccc(-c2cnc(=NCCF)[nH]c2)cc1"]
["MCULE-1118681465","CCCN(CCC)C(=O)COc1ccc(C2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN=C(C)O)cc1OC"]
["157236536","C[C@@H]1C[C@H]2CNC[C@H]2N1C(=O)C(F)(F)F"]
["13537145","O=[N+]([O-])c1ccc(N2CCOCC2)c(C(O)=N[C@@H]2CCCc3ccccc32)c1"]
["78691233","C=CC(F)C(F)CC(C)F"]
["140783164","O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc([N+](=O)[O-])o1"]
["114355337","CCc1nn(C)cc1NS(=O)(=O)c1ccc(CN)c(C)c1"]
["111736760","COc1ccc(-c2nc(-c3c[nH]c(C(=O)O)c3)cs2)nn1"]
["18287641","CC(C)(C)c1nnc(N=C(O)Cn2ccccc2=O)s1"]
["167589102","CC(C)C1CCn2nc(CC(C)C3CCn4cncc4C3O)cc2C1O"]
["MCULE-9310688771","COc1ccc(-c2cccc(C)c2N=C(O)c2ccn(C)c(=O)c2)cc1"]
["MCULE-7231278210","COCCN1C(=O)c2ccccc2C(C(O)=Nc2ccc(Cl)c(Cl)c2)C12CCCC2"]
["119722179","CC(=O)N1CCN(C(=O)CCN(C(C)=O)C2CCCC2)CC1"]
["43322402","CC(C)c1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1"]
["92966314","COc1cccc(C(CN=C(O)Cn2c(C)csc2=O)N2CCCC2)c1"]
["138420284","COc1ccc(CN(C)C(O)=Nc2ccccc2C(=O)N2CCCCC2)cc1C"]
["28258320","Cc1c(CC(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1"]
["107767269","OC1=NCCN[C@@H]1c1cc2n(n1)CCS2"]
["139775898","CCCCCn1nc(C(=O)NCc2cccnc2N(C)C)c2ccccc2c1=O"]
["56257878","CCOC(=O)c1cccc(-c2cc(C)cc(OC)c2)c1"]
["107932282","Cc1nnc2ccc(=N[C@@H]3CCN(c4c(F)cccc4F)C3=O)[nH]n12"]
["159973261","CC1CCCCN1C(=O)CN1CCN(Cc2nc(O)n[nH]2)CC1"]
["187465302","CCOC[C@@]1(CO)C(=O)C2(C)CCN1CC2"]
["130481670","COc1cc(C=CC(O)=NCCCn2ccnn2)cc(Br)c1O"]
["149082383","CCn1cc(CCC(CC(=O)OCc2ccccc2)c2ccc(Cl)c(CO)c2)nn1"]
["90740183","CC(=O)C=Cc1ccc(OCCN2CCCC2)cc1"]
["MCULE-3874983248","O=C(O)CCc1ccc(F)c(-c2ccc(C(O)=Nc3cncnc3)cc2[N+](=O)[O-])c1"]
["MCULE-4516346925","Cc1cc(O)c(C(C)n2nc(C3CC3)c(C=NO)c2Cl)cc1C"]
["84892256","CCNc1ccccc1C(=O)N(CC)CC(C)(C)O"]
["154961956","C[C@@H]1CCC[C@@H](CN)N1CC(C)(C)O"]
["85221284","CN(CC1CCNCC1)C1CCSCC1"]
["18278057","CCCCN=C(O)CN(C)c1ccc(F)c(F)c1"]
["88484814","COc1ccc(N(C)Cc2cc(OC)ccc2O)cc1"]
["186493601","OCC1CC(N2NNc3c(NCCc4cccs4)ncnc32)CC1O"]
["62458164","CCc1cccc(CC)c1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1"]
["22816800","Cl.O=C(O)C12CCNC1C2"]
["51492464","C[C@H](N=C(O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(=O)(=O)O)c1"]
["96861026","CC1=C(C)C2CCC(C)C(=O)CCC2C1C"]
["90839160","CCCCCCCC1CCC(C(CCC)c2ccc(F)cc2)N1C"]
["MCULE-9841161956","CC(C)CN1C(=O)c2ccc(C(=O)N3CCN=C(O)C3c3cn(C)c4ccccc34)cc2C1=O"]
["32085891","Clc1nc(-[n+]2ccccc2)[nH]c(=Nc2ccccc2)c1Cl.[Cl-]"]
["MCULE-5270233981","CCc1nn(-c2cccc(Cl)c2)c2c1C(c1cccc(C)c1)C(C(O)=NC1CCCCC1C)=C(N)O2"]
["12992609","CCOC(=O)CCN=C(O)CSc1nccn1-c1cccc(C)c1C"]
["108033569","COc1cccc([C@@H](CO)N=C(O)Cc2cccc(C)c2)c1"]
["MCULE-8353467595","O=C(NOC1CCCCO1)c1ccc(N2CCOCC2)nn1"]
["13318596","O=[N+]([O-])c1cc(F)ccc1N=C(O)c1cc(Cl)c2c(c1)OCCO2"]
["148021387","Cl.Cl.OC(CCC1CCCN1)=NCc1cccc2cccnc12"]
["117173809","COc1ccc2c(c1)c(/C=C1/Oc3c(CN4CCCC(C)C4)c(O)cc(C)c3C1=O)cn2C"]
["169627211","CCCCN(CC(=O)OCCC)C(C)(C)C"]
["135174868","C=CCN(Cc1ccc(Cl)s1)C(O)=NCCN1CCOCC1(C)C"]
["43808769","Cn1cc(C(N)Cc2cccnc2)cn1"]
["14088643","COc1cccc(-c2nnc(SCC(O)=Nc3ccc(C)cc3C)n2-c2ccccc2)c1"]
["155080793","COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(O)=NS(=O)(=O)c2cccc(Br)c2)c1"]
["19856232","O=c1c2ccc(C(O)=N[C@H](CN3CCOCC3)c3ccccc3)cc2[nH+]c2n1CCCCC2"]
["MCULE-3193271795","Cc1ccsc1-c1c(F)ccc(N=C(O)c2ccccc2F)c1F"]
["56565279","CCCC[C@H]1CN(CCC(O)=NCc2cc(C)n(C)n2)Cc2ccccc2O1"]
["MCULE-8440226927","COc1cccc(C#N)c1-c1ccccc1NC(=O)c1ccc(C#N)cc1"]
["55665690","Cc1ncc(S(=O)(=O)N(C)CC(F)(F)F)[nH]1"]
["2809335","COCc1ccc(CNC(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1"]
["MCULE-9094050020","COc1ccc(-c2ccc(NC(=O)c3c(C)cccc3C)cc2)cc1C"]
["179784937","CNc1cc(-c2ccc(C)cc2)ccc1N"]
["107759059","Cn1cc(C[C@@H](N)C(=O)O)c2ncncc21"]
["51678096","CC1(C)CON(Cc2cc(NN)c(F)cc2Cl)C1=O.Cl"]
["15669554","O=C(CCl)OCCc1ccccc1"]
["155922115","C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc23)N1"]
["150297038","COc1ccc(CN(C(=O)Cc2cccs2)c2ccc(Br)cc2C(=O)O)cc1"]
["MCULE-9634437497","COc1cc(-c2cccc(S(C)(=O)=O)c2)ccc1N=C(O)C1CCCCC1"]
["MCULE-5643126925","CC(O)CN=C(O)C(CC(=N)O)NC(=O)c1cccn(C)c1=O"]
["48578224","COc1cc(C2O[C@@H](O)[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O"]
["43855489","C=CC(C)(C)C(Nc1ccc(OC)cc1)C(=O)OCC"]
["MCULE-2613750804","CCc1nc2ccc(C(=O)N3CCCC(C(O)=NC(C)CC)C3)cc2[nH]1"]
["171481187","C#Cc1cccc(Nc2ncnc3ccc(N(OC(=O)C(F)(F)F)C(=O)C=C4CCNCC4)cc23)c1"]
["144491291","CC(N)CCNS(=O)(=O)c1cnn(-c2ccccc2)c1"]
["105099608","Cc1ccc([C@H](O)CN=C(O)Cn2c(=O)n(C)c3ccccc32)cc1"]
["197122790","C[C@@H]1[C@H](C)N(Cc2cncn2C2CCCCC2)CCN1S(=O)(=O)C1CC1"]
["125291918","CCC(C)N=C(O)CCNC(C)c1ccc(N2CCC(O)CC2)cc1"]
["120465059","CCCC(CCC)(C(=O)O)N(C)C(C)CC"]
["54452551","Cc1ccc(C23C[C@@H]4C[C@@H](CC(CN=Cc5cccs5)(C4)C2)C3)cc1"]
["118919537","CCN=C(NCC(C)(C)c1cccs1)N1CCC(C(=O)OC)CC1.I"]
["42403831","CC(O)=Nc1ccc(-c2nc3cc(C(O)=NC(CC(=O)O)c4ccc(C)cc4)ccn3c2NCc2ccccc2)cc1"]
["168205960","Cc1c(C=Nc2ccc(N=Nc3ccccc3)cc2)c(O)n(C(C)C)c(=O)c1C#N"]
["97057360","CP[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2"]
["1763007","C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(O)=N[C@H]1CCCc2ccccc21"]
["160667371","Cc1ccc(C2C(C)CCCN2C(=O)c2ncn(C(C)(C)C)n2)cc1"]
["113611808","CCNCc1cn(C2CCOC2)cn1"]
["23362730","CC(NC(C(=N)O)c1ccccc1)C(O)=NCc1ccccc1"]
["189329955","C[C@]1(c2cccc(N=C(O)c3cccnc3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1cccc(N=C(O)c2cccnc2)c1"]
["MCULE-8253745374","Cc1ccc(C(O)=Nc2ccc(-c3cnn(CC(=O)O)c3)cc2)cc1C"]
["175466335","C#CC1CCC(N(C)C(=O)OC)CC1"]
["30392962","CC(O)=NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(-c3ccc(C)nn3)c2)CCCCC1"]
["MCULE-1449203337","Cc1ocnc1C(O)=NCC1CCCN(C(=O)CCCc2ccc(F)cc2)C1"]
["23397027","CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC2CCCO2)/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1"]
["131106358","CN(CC(O)CN1CCOCC1)C(=O)Cc1c[nH]c2ncccc12"]
["MCULE-1071457689","Cn1c(C(=O)N2CCCC(CCNC(=O)c3ccc(F)cc3)C2)cc2cc(F)ccc21"]
["141439171","CCC(NC(O)=Nc1cccc(CCC(F)(F)F)c1)c1nccs1"]
["110801616","Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(O)=NCc1ccncc1"]
["111738608","CC(O)C(C)OC(CN)c1cccc(Cl)c1F"]
["180809958","C=N/C(=C\\N(C)C(=O)N(C)C12CC3CC(CC(C3)C1)C2)c1cccc(-c2ccc(Cl)nc2)c1"]
["12666074","Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN2C(=O)CCC2=O)cc1C"]
["183247619","Fc1cccc2onc(-c3ccc(OCC4CO4)cc3)c12"]
["103333045","CCN1CCC[C@H]1CN[C@@H](C)c1ccccc1Br"]
["90005673","Cc1ccccc1N=C(O)c1cccnc1N1CCc2ccccc2C1"]
["96800359","CC1(C)[C@H]2CC[C@H](C2)[C@H]1CCCC(=O)C=[N+]=[N-]"]
["172648278","CCCCC(Cc1ccccc1)(C(=O)OCCC)C(=O)OCCC"]
["11704033","CCC/C=C/[C@@H](C(O)=NCCCC)N(C)C(=O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C"]
["3720233","Cc1ccc(C(C)C)c(OC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1"]
["89645570","Cc1nc2ccc(C(CO)CC(=O)O)cc2[nH]1"]
["134998270","CS(=O)(=O)CCCC(O)=NCc1ccc(-n2ccnc2)c(F)c1"]
["119080696","OC(CNCc1cc(-c2ccccc2)n[nH]1)c1ccccc1Cl"]
["74852279","CCOOCCNCc1ccccc1"]
["102997546","COC(=[OH+])C1=C(C)[N-]C(C)=C(C(=O)OCCCO[N+](=O)O)C1c1cccc([N+](=O)[O-])c1"]
["197901254","NCc1cn(C2CCN(C(=O)/C=C/c3c(Cl)nc4sccn34)C2)nn1"]
["138125292","Cc1nc(CCCC(=O)N2CCc3[nH]c4ccccc4c3C2)cs1"]
["MCULE-2300700226","CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)C2c2ccc(C(C)(C)C)cc2)cc1"]
["140038880","N=C(O)c1cnn2c(C(=O)N(CCc3cccc(F)c3)C3CC3)ccnc12"]
["194322983","CCCCCc1cc(OC(=O)OC[C@@H](O)CO)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)[C@@H](O)CO)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)[C@H](O)CO)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"]
["47159685","CNC(C)C(O)=Nc1ccc(-c2c(C)nc3cc(F)ccn23)c(C#Cc2ccc3ncccc3c2)n1"]
["63343481","Cc1cccc(Nc2ncnc(Nc3ccc(F)cc3)c2N)n1"]
["20340161","OC(=NNC1=NC[C@H](CI)S1)c1ccccc1Br"]
["54625928","CN(c1cccc(F)c1)c1ccc(N)cc1C(=O)O"]
["134118513","COc1ccc(O)c(C(O)=Nc2cnccc2OC)c1"]
["116619395","CCc1nc(CCNC(=NC)N2CCOC(C3CCCO3)C2)cs1"]
["65914153","CCC(C)(N)c1noc(C2CCOCC2)n1"]
["111892985","COC1CCN(C(CN)c2ccc(F)cc2C(F)(F)F)C1"]
["93238441","Cc1cnc(NCCCS(C)=O)c([N+](=O)[O-])c1"]
["117151962","N=C(O)CN1CCCC1c1cncc(Cc2cccc(Cl)c2)n1"]
["163039979","N=C(O)/C=C/c1cccc2ccnn12"]
["77101723","Cc1cc(C2CC3C4C(=O)N(CCCCCC(=O)O)C(=O)C4CC(C(C)C)C3(O)O2)cc(C)c1O"]
["MCULE-7823971200","Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2cccc(Cl)c2)nc(C)n1)CC3"]
["128796662","CC(O)=Nc1ccc(C)cc1OCC(=O)N(C)Cc1ccccc1F"]
["125617204","CN1CCCCC1CN1CCN(CC(=O)OC(C)(C)C)CC1"]
["4317634","COc1ccc(NC(=O)N=C(O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)N=C2O)cc1"]
["171638514","C/C(N)=C(\\c1cnc2c(c1)[nH]c1cc(C(C)(C)O)ccc12)N(C)N"]
["MCULE-5765875136","C#CCOCCC(O)c1cccc2ccccc12"]
["MCULE-9251470382","CCOc1ccc(-c2cc(F)c(NC(=O)c3cc(C)nn3CC)cc2C)cn1"]
["14207802","CCc1ccc(/C=C2/Sc3ccccc3N(CC(O)=[NH+]CCCN3CCC[C@@H](C)C3)C2=O)cc1"]
["125452131","O=C(CCN1C(=O)CCc2ccccc21)N1CCN(c2cnccn2)CC1"]
["10493535","S=c1sc2ccccc2n1CSc1nnnn1-c1ccccc1"]
["MCULE-8863282827","Cc1ccc(C(O)=Nc2ccc(-c3ccoc3)c(F)c2C#N)s1"]
["179135244","C=N/C(C(C)=O)=C(/C)N(C)[C@@H]1O[C@@]2(COP(O)(O)=S)COC1C2C"]
["173756177","Cc1c(N)n2ncc(C(O)=NC3CC3F)c2[nH]c1=Nc1cccnc1OC(C)C"]
["144479703","CCN(C(O)=NCc1ccc(C(N)=O)o1)C(C)c1cccc(C(F)(F)F)c1"]
["173326316","CCC[P+](=O)C(CCC(=O)O)CCC(=O)O"]
["165410507","CCC(C)N=C(O)C(C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O"]
["107321352","COc1ccc(CNC(=O)c2cc3ccoc3cn2)c(OC)c1"]
["144487492","CC(=O)CC(C)NC(=O)c1ccc(C)o1"]
["31085570","C[C@H]1O[C@@H](n2nc(-c3cccs3)c3c(Nc4ccccc4)ncnc32)[C@@H](O)[C@H]1O"]
["182832952","CCCCCCCCOC(N=[N+]=[N-])(OCCCCCC)C(CC)(OCCCCC)C(OCCC)(OCCCC)C(CC)(OC)OCC"]
["113282654","Cc1cnc(C(C)N=C(O)N2CC(C(C)C(=O)O)C2)o1"]
["179169624","C[C@@H](O[C@H]1CN2C(=O)CC(c3ccncc3)CC2C1C1=CC=C(F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["58453535","CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(C)=O)c-2cc1C"]
["80351719","CC(C)[C@H](NC(O)=Nc1cccc(S(=O)(=O)C(F)F)c1)C(=O)OC(C)(C)C"]
["MCULE-5714592356","COc1ccc(-c2csc(N=C(O)C3CCCN(C(=O)c4cccc(C)c4)C3)n2)cc1"]
["9317851","COC[C@H](C)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(=N)O)C1"]
["MCULE-6172818872","CC(=O)c1ccccc1C(O)=Nc1cncc(-c2ccccc2CN(C)C)n1"]
["29762319","CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCN(C3=CC=C3)C2)CC1"]
["171493488","N=C(O)/C(=C1/CCC(C(=O)O)C1=N)C(F)(F)F"]
["119806193","CC(C)NC(=O)c1ccc(-c2ccccc2)nn1"]
["128450926","C=CCCC(O)=NC(C)c1ncc(-c2ccccc2)o1"]
["120383952","CNCc1cncnc1N(C)CC1CCN(C)C1"]
["87565488","CCOC(=O)Cc1c(-c2ccccc2)nc2c(O)cccn12"]
["22821463","CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CCC)CCC)cc1"]
["24282528","Nn1c(SCC(=O)O)nnc1-c1ccc(Cl)cc1Cl"]
["188580980","O=C(c1ccc(OCCNC/C=C/C(=O)N2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12"]
["118569970","Cc1ccc(NC(=N)NCC2CCCN(C)C2c2cccs2)cc1.I"]
["47649062","COc1ccccc1N1CCN(C(=O)c2csc(CSc3nnc(-c4ccco4)n3-c3cccc(Cl)c3)n2)CC1"]
["158952172","O=S(=O)(N=C(O)[C@@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CC2CCC1CC2"]
["MCULE-3043281796","O=C(Nc1ccccc1)c1c(F)cccc1-c1ccc(CN2CCCC2)cc1"]
["128276635","Cc1nc(C(NC(=O)C(=O)Nc2ccccc2N(C)C)c2ccccc2)n[nH]1"]
["149649003","CC[Si](CC)(CC)OC(CN(CCOc1ccc2c(OC(F)F)nn(C(=O)O)c2c1)C(=O)OC(C)(C)C)c1cccc(N)c1"]
["157945266","C[C@@H]1CC(C)(C)C[C@]12COCCN2"]
["MCULE-1543063005","COc1cccc(OC)c1-c1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccn12"]
["121881412","CC(C)(CN=C(O)CN=C(O)c1cccc(Cl)c1)c1ccc(F)cc1"]
["136662819","CC1CCCC(C)N(C(O)=NCCN=C(O)C(C)C)C1"]
["MCULE-1978628098","Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4F)s3)C2c2ccc(Cl)c(Cl)c2)c1"]
["169817399","CCCc1cc(N[C@@H]2CC[C@@H](N=C(O)CCOCCOCCOCCOCCN[C@H](C(=O)C3C[C@H](O)C[C@H]3C(O)=NCc3ccc(-c4sccc4C)cc3)C(C)(C)C)C2)n2nccc2n1"]
["95324741","COC(=O)C(CC(C)C)NCc1cc(F)ccc1C"]
["175662049","CC1=NS(=O)(=O)C(c2ccc(CN3CCOCC3)cc2)C(C)(C)O1"]
["76123719","CON(C)C(=O)c1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1"]
["15312851","COc1ccc(-c2cc3ccc(OC(=O)[C@@H]4CCCO4)cc3oc2=O)c(OC)c1"]
["11029254","COc1ccsc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1"]
["MCULE-1715471415","CCCc1nc(Nc2cccc3c(O)cccc23)cc(N2CCc3ccccc3C2C(C)C)n1"]
["185435933","CSc1ccc(OCC(=O)O)c(O)c1"]
["173480206","CCOc1cc(CC)ccc1-c1ccccc1C(=N)NOC(=O)Oc1ccccc1"]
["68342168","O=C1C(=O)N(Cc2cccnc2)C(c2ccc(Cl)c(Cl)c2)/C1=C(\\O)c1ccncc1"]
["138551978","CC(C)(C(=O)N1CCC(CN2CCCC2)C1)c1cccc(C(F)(F)F)c1"]
["85735665","C#CC(=O)c1ccc(Cl)cn1"]
["6989541","O=C(OCc1ccccc1)C1=C([O-])C(=O)N(C2CCCCC2)[C@@H]1C(=O)OCc1ccccc1"]
["119375810","CC(=O)c1cccc(OCC(O)=Nc2cccc(CO)c2)c1"]
["186957930","O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCC2(c3cccnc3)CC2C1"]
["187942654","CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(N2CCN(C)CC2)nc1"]
["194931829","COC(=O)C=C(C)CCC1(C)C(C)C(OC(C)=O)CC2(C)C1CC(C=O)C2(C)O"]
["106316307","Cn1cc(/C=C/C(O)=NC[C@@H](O)C2CC2)cn1"]
["2531093","COC(=O)Cn1/c(=N\\C(=O)c2cc(Cl)ccc2OC)sc2cc3c(cc21)OCO3"]
["21158488","Cc1cc(N2CCN(C(=O)c3cn4ccc[nH+]c4n3)CC2)nc(C)n1"]
["MCULE-1688093130","COc1cc(C(=O)N2CCC(C)(CN=C(O)Cn3ccc4ccccc43)CC2)ccn1"]
["66582054","CCCn1cc(S(=O)(=O)NOCC(=O)O)nc1C"]
["164063270","C=C/C=C/c1cccc(N=C(O)C2(c3ccc(O)c(O)c3)CC2)c1"]
["183957985","Cc1ccccc1C(CC1(N=[N+]=[N-])OCCO1)c1ccc(S(C)(=O)=O)cc1"]
["74688281","COC(C)COc1ccc(OC2CCN(c3cc(F)c4c(c3)C(=O)CC4)C2=O)cn1"]
["42857253","O=C(c1ccccc1Br)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1"]
["13415082","OC(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)=NCCN1CCN(c2ccccc2F)CC1"]
["MCULE-4024245925","COCCN(CCOC)C(=O)CN=C(O)C(c1ccc(Br)cc1)C(C)C"]
["172137310","Cc1cc(Nc2nn([C@]3(CC#N)CC[C@@H](C(=O)OC(C)(C)C)OC3)c3ccnc(O)c23)ccc1C(=O)N1C[C@H](C)O[C@@H](C)C1"]
["67635965","Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(C)N1CCC(C(=O)N2CCCC2C(O)=Nc2ccccc2C(C)C)CC1"]
["169441600","CCCCCCCCCC/C=C/C(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCC/C=C\\CCCCCCCCCCCCCCCCCCCC"]
["120471029","CCC(C)(Nc1ccc(F)cc1OC)C(=O)O"]
["84410383","CCCN(CCC)C(O)=NCCCC(C)C"]
["51335844","COc1ccc(C2CCCN2C(=O)CN2CCC(N=C(O)c3ccsc3)CC2)c(OC)c1"]
["192393073","O=C([O-])N1CCC(=Cc2ccc(C(F)(F)F)cc2C2CC2)CC1"]
["138208501","OC(Cn1ccc2ccccc21)=NN=C(O)c1ncccc1O"]
["31418959","Cc1nc(S(=O)(=O)NC2CC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CCC2(C)C)cn1C"]
["32433114","CC1=C(OC(C)C)C(Cl)C1=O"]
["24794302","O=C(c1cccs1)C1C(c2ccc(Cl)cc2)C2CSCN2[C@@]12C(O)=Nc1ccc(F)cc12"]
["146054117","C/C=C/c1ccc(OCC(O)=NCCCNC)c(OC)c1"]
["106726861","O=C(c1cnccn1)N1CC[C@H](Cc2ccc3ncccc3c2)C1"]
["91693614","O=CCSCc1cc(Cl)sc1Cl"]
["29800549","c1ccc(-c2ccc(Nc3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)cc1"]
["78503620","CC(C)[C@@H](F)CN(C)C"]
["152625123","CCN1C(=O)/C(=C\\c2cc(I)c(O)c(OC)c2)c2ccccc21"]
["188096242","COC(=O)c1cccc(S(=O)(=O)C2CNCC(C3CCCCC3)C2)c1"]
["18120946","CC[C@H]1CCCCN1C(=O)CN1CCC[NH+](Cc2ccc(OC)cc2)CC1"]
["158940984","Cc1ncc(S(=O)(=O)N=C(O)C2(C)CCCCC2)s1"]
["58498216","CCc1cc2c(NC)nc(Cc3cccc(Cl)c3)nc2s1"]
["67146721","CCCC(C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1"]
["126750292","Cc1cc(C(=O)O)cc(S(=O)(=O)NC2CCN(C3CC3)CC2)c1Cl"]
["184598979","COC1C=CC=C(C2CCN(C(=O)CN(C)/C(=C\\C(=N)c3ccc(F)c(C)c3)c3ccccc3)CC2)C1"]
["74299495","CCN=C(O)Nc1ccc(-c2nc3c(c(N4CCN=C(O)C4)n2)C(C(C)(C)C)CN(C(=O)O)C3)cc1"]
["62215801","O=C(c1ccccc1)N1C(C(O)=NCCC(O)=NCc2cccnc2)CC2CCCCC21"]
["180918703","CC1C=CC(C2(c3ccccc3)OB(c3c(F)cc(F)c(C(=O)O)c3F)OC2(c2ccccc2)c2ccccc2)=CC1"]
["89183562","CC(C)c1nc2ccccc2nc1Br"]
["86364450","CN=c1[nH]cc(F)c(=NCCc2ccc(F)cc2C)[nH]1"]
["169152238","N#CC1=C(N)ONC1c1cccc2[nH]ncc12"]
["88774563","CC1NC(c2ccccc2OC(F)F)N(CC(F)F)C1=O"]
["MCULE-5294760983","Fc1cc(-c2c(C(F)F)nn(C3CC3)c2Br)ccc1C(F)(F)F"]
["172446374","O=C(N(Cc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-])C(F)(F)F"]
["MCULE-4661799254","Cc1c[nH]cc(-c2ccnn2C2CCCCO2)c1=NC(=O)Cc1ccc2c(c1)CCO2"]
["MCULE-8352466321","N#CSc1ccc(NC(=O)CC2CC(=O)c3ccccc32)cc1"]
["MCULE-8742110566","CCCc1ccc(-c2cnn(CC(O)=Nc3cncc(F)c3)c2)cc1"]
["122699436","CCOCCN1CCN(C(C)C(O)=Nc2c(F)c(F)c(F)c(F)c2F)CC1"]
["20605943","Cc1ccc(-c2noc(-c3cc(N4CCCC4)[nH+]c4ccccc34)n2)cc1"]
["CSSS20447617192","COc1ccc(C)c(OC)c1C(O)=N[C@@H](C)c1cn(-c2cccc(SC)c2)nn1"]
["154695749","C=CC(O)=N[C@@H](CC(C)C)C(O)=Nc1cccc(Nc2ncc(N=C(O)c3cc(N=C(O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1"]
["141496355","CC(C)OCCCCN=C(O)c1cc(F)cc(Cl)c1O"]
["160370380","CC1(C)CN(C(=O)C2SCCc3ccccc32)CC1O"]
["MCULE-2376522388","COc1cc([N+](=O)[O-])ccc1Nc1cc(N2CCOCC2(C)C)nc(C)n1"]
["89237616","COc1ccc(C(O)(C(=O)O)c2ccccn2)cc1"]
["29484148","COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(OC)c(OC)c1"]
["129134325","CCOc1cc(Cl)ccc1C(=O)N(c1cccc(F)c1)C1CCOCC1"]
["30937236","NC[C@@H](NCC1CC1)C(=O)Nc1ccc(N2CCOCC2=O)cc1"]
["184355540","CC12/C=c3/ccc([nH]3)=C(C3C=CC=CC3)C3=NC(=CC4=N/C(=C(/c5ccccc5)C(=CC1)N2)CC4)CC3"]
["59021865","Cc1ccc(F)cc1C(O)=NCC(C)(O)CC(C)C"]
["157865121","N#CC1(Cc2ncccc2Br)CC1"]
["45262611","C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)Nc3ccc(F)cc3)N2C1c1ccc(C(C)C)cc1"]
["MCULE-1014730346","Cc1cc(OCC(=O)N2CCC(CN3CCOCCCN(Cc4ccc(F)cn4)CCOCCOCCC3=O)CC2)ccc1Cl"]
["114766996","CC(C)(C)c1ccc(Sc2nnnn2CC(=O)O)nc1"]
["117037834","CCCS(=O)(=O)N1CCN(C(C)=O)CC1c1ccccc1"]
["MCULE-8503003779","O=C(c1cc2c(NCCCN3CCOCC3)ncnc2n1Cc1ccco1)N1CCN(C(c2ccccc2)c2ccccc2)CC1"]
["59298632","COC(=O)C1=Cc2cc(Br)ccc2NCCC1"]
["MCULE-9509955547","Cc1ccc(NC(=O)c2ccc(-c3ccc(OC(C)C)cc3)c3ccccc23)cn1"]
["17442121","CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C(O)=NC(C)(C)CC(C)(C)C)c1ccccc1O"]
["171105856","CNCC1(N(C)C(C)=O)CCC1"]
["187303068","CCOc1nc(=N)[nH]c2c1ncn2[C@H]1C=C[C@@H](C[O])C1"]
["1967090","COc1cc(COC(=O)c2ccc(CN3CCCC3=O)cc2)ccc1OC(F)F"]
["MCULE-7091379120","Cc1noc(C)c1C(=O)N(C)C1CCCN(C(=O)c2ccn(C)n2)C1"]
["132665488","C=CCN(C)C(=O)c1cc(C(=O)OC)co1"]
["MCULE-8170596237","Cc1nn(C)cc1-c1cncnc1NC(=O)c1ccc(N2CCOCC2)nn1"]
["29656146","O=C(O)C(F)(F)F.OC1=NC(=Nc2cc(C(O)=NCCN3CCCC3)ccc2Cl)S/C1=C\\c1ccc2ncccc2c1"]
["140805111","CC(CN=C(O)c1cn(C)nc1-c1ccccc1Cl)c1nccs1"]
["196533545","Cc1cc(C)c(C)c(-c2c(C)ccc[n+]2C)c1"]
["108227237","C[C@H](O)[C@H]1CCN(C(O)=NCCOc2cccc(C(C)(C)C)c2)C1"]
["58552155","CCNC(Cc1cc(Cl)ccc1OC)C(C)OCC"]
["75954766","CCCCCCCCCOC(=O)Oc1ccc(-c2ccc(OC(=O)[C@@H](Cl)[C@@H](C)CC)cc2)cc1"]
["52331469","CCCCCCCCCCCCCCOC(=O)CCN=C(O)Nc1ccc(N(CC)CCO)cc1C"]
["62379699","CC(C)(C)CNc1ccc(OCCC(=N)O)cc1"]
["170723997","COCCCOc1cc2c(cc1-c1ccc(OC(C)C)cc1)/C(C)=C/C(O)=C(/C(=O)O)C=NCC2"]
["160021991","CN(C)C(=O)C1CCCC(NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1"]
["122799805","CN(C)C(=O)c1cc(NC(O)=NCCc2nnc3n2CCCCC3)ccn1"]
["106001867","N[C@H](c1ccccc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1"]
["MCULE-6337093465","COc1ncc(-c2ccc(C)c(F)c2)cc1C(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1"]
["114783596","CCCC(C)Oc1c(Cl)cc(CNCC(C)C)cc1OC"]
["86863979","C[C@H](NC(=O)c1ccc2c(c1)CCN2)c1ccc(Br)cc1"]
["MCULE-5924558534","CN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccco3)cc2)CC1"]
["26893350","COc1ccc(CC(=O)S)c(Br)c1"]
["147993230","CNS(=O)(=O)c1ccc(S(=O)(=O)NC(CN)C2CCCCC2)cc1"]
["12583799","COCCN1C(=O)c2ccc(C(O)=NC[C@H]3CC=CCC3)cc2S1(=O)=O"]
["124075039","CCSC(C(O)=NCC(=O)OC1CCCCC1)C(C)C"]
["60074529","Cc1cccc2[nH]cc(CC(O)=Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCCC3)c12"]
["153427677","C[C@H](N[C@@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)O)c(=O)n3cc2F)C1)C(O)=N[C@H](C)C(=O)O"]
["180476383","C=CC(O)=NC(CCC(C)=O)C(CC)Nc1ccc(/C=C(\\F)C2C(Cl)=C(OC)C=C(OC)C2Cl)cn1"]
["18216211","N#C/C(=C\\c1cc2c(cc1Br)OCO2)C(O)=NC[C@@H]1CCCO1"]
["76625770","O=C(C=Cc1ccc(COc2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2"]
["15754057","CN1C(=O)COc2cc(N=C(O)CN3CC(=O)Oc4ccccc43)ccc21"]
["122268374","CS(=O)(=O)Cc1ccc(C(=O)N(c2ccccc2)C2CCCC2)o1"]
["MCULE-6978855363","COc1cccc(-c2cc(C)cc(C)c2)c1C(=O)N1CC(OC(C)C)C1"]
["118030419","CN=C(NCCOc1ccc(C)cc1)NCC(O)=Nc1ccccc1"]
["25910048","COC1=Nc2ccccc2SC1"]
["152590693","C=CCc1cc(/C=C2\\C(=O)ON=C2c2ccccc2)cc(OCC)c1OCC"]
["129466733","CN1N=C(C(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)CCC1=O"]
["65290248","CC(NC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1"]
["10517842","COC(=O)c1c(N=C(C)O)c2cc(N[C@H](C)CC(C)(C)OC)cnc2n1CCc1c[nH]c2ccccc12"]
["MCULE-4032411180","CC(C)COc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1"]
["112409500","O=C(O)C1CCc2cnc(C3CCSCC3)n2C1"]
["173710669","CP(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1"]
["MCULE-8503681457","COc1cc(CC(=O)O)c(-c2ccc(C(=O)N(C)c3ccccc3)s2)cc1OC"]
["28750929","CC(C)C(O)=NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1cccc(Cl)c1"]
["111752851","COCC(O)(CCCN)Cc1nc2ccccc2s1"]
["146750039","CC1(CN=C(O)Cc2cccc([N+](=O)[O-])c2)CCCNC1.Cl"]
["124203888","CCc1nc2n(n1)CC(N=C(O)CC1OCCc3ccccc31)CC2"]
["97025876","C=CCP(=O)(CC=C)CCP(=O)(CC=C)CC=C"]
["115295097","CN(C1CC1)C(CN)c1cc(F)ccc1Br"]
["158507395","C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)C1"]
["1265450","CCn1c(SCC(O)=NC(O)=NCc2ccccc2)nnc1-c1ccccc1OC"]
["59321407","CCCN(CC(O)=Nc1ccccc1C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1"]
["180351707","CC1=Nc2ccc(C)cc2C2(S1)c1ccccc1COc1ccccc12"]
["176620975","CC(C)OCCN1CCC([C@@H](C)C(=O)c2ccccn2)CC1.CC1(C)CSCCO1"]
["93036949","CCNC(Cc1ncnn1C)C(OCC)C1CCCCC1"]
["139483664","O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)OCC(=O)N1CCCC1"]
["145335743","CC(C)c1noc(C2CCCN(C(=O)c3cccc(-c4ccccn4)c3)C2)n1"]
["181662040","CC1(C)CC=C(c2ccccc2)c2c(N)cccc21"]
["166204404","CN(C)C1CCN(C(=O)c2ccc(C#N)cc2)C(C(=O)O)C1"]
["187063602","CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](CN(C)C)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)CN(C)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N=C(O)OC(C)(C)C)c4)nn3)C(=O)O[C@]12C"]
["161228805","C[C@H](O)C(=O)N1CC[C@H](O)C(F)(F)C1"]
["140453090","CCCCn1cc(C(O)=NC(C(=O)OC)c2ccc(F)c(C)c2)c(C)n1"]
["65967580","CC(C)C(NC(=N)O)C(=O)N1CCCCC1C(=O)O"]
["110084794","OC(=NN=C(O)c1csc(-c2ccccn2)n1)c1ccc2c(c1)OCO2"]
["97071604","C=C(/C=C/CCCCCCCC(=O)OC)CCCCCCCC"]
["111868923","C=C(C)CNc1cc(N)c(C(=O)NCC)s1"]
["105711129","COC(=O)c1sc(N2C(=O)C(=O)C(=C(O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)ccc2OC)nc1C"]
["19759102","CC(C)(C[NH2+]C(=O)C(O)=Nc1ccc(C(F)(F)F)cc1)N1CCOCC1"]
["MCULE-3683200215","Cc1cc(C)c(-c2cccc(CN=C(O)c3ocnc3C)c2)c(C)c1"]
["106215670","COCCS(=O)(=O)N[C@H](Cc1ccccc1)c1ccccc1"]
["191035611","C[C@H](N=C(O)OC(C)(C)C)c1nc2ccc(F)cc2c(C(=O)O)c1-c1ccccn1.C[C@H](N=C(O)OC(C)(C)C)c1nc2ccc(F)cc2c(C(O)=NCCO)c1-c1ccccn1.C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C(O)=NCCO)c1-c1ccccn1"]
["185710373","C=C(C)C(=O)OCCN=C(O)/C=C/c1ccc(OC)c(OC)c1"]
["101858260","O=C(CSCc1ccccc1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1.O=C(O)C(=O)O"]
["119232801","CN1CCN=C1CC(N)c1ccco1"]
["MCULE-7887938413","Cc1ccc(NN=NCC2CCCO2)c(C)c1"]
["113376573","CCCc1noc(CC2CCCCC2NCC)n1"]
["182151587","[N-]=[N+]=NCCC1(O)CCC(c2cnc(N)c(-n3cncn3)n2)C1"]
["60922924","CCC(C)Cn1c(=N)[nH]c2ccccc21"]
["44877849","C#CCN1C(=O)SC(=Cc2cc(OCC)c(OCC)cc2Cl)C1=O"]
["102922238","CCOC1(OCC)CCC[C@@]1(O)C#N"]
["117771712","CCCN1CCC(NC(=NCC)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CC1"]
["42897354","CCCCCOc1ccc(C2/C(=C(\\O)c3ccc(OCCCC)cc3C)C(=O)C(=O)N2CCCOC)cc1"]
["197795757","COc1cccc([C@H]2C[C@H](c3nc(C45CC(C(F)(F)F)(C4)C5)c4nc(C)c(C)nc4n3)CCO2)n1"]
["42644814","COC1=C/C(=C\\NNc2ccc(C(F)(F)F)cn2)C=C(Br)C1=O"]
["609871","COC(=O)CCC(CC(=O)C(=O)O)C(=O)O"]
["MCULE-3529968474","Cc1cc(F)cc(C(=O)Nc2cc(-c3ccnn3C(C)C)c(F)cc2C)c1"]
["195394778","CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(N=C(O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](N)[C@@H](O)[C@@H](N)[C@H](OC(O)=NCc2cc(C(C)=O)no2)[C@@H]1C)C4=O"]
["173378082","Cc1cc(C)c(C(=O)c2ccccc2O[P+](=O)OC(C)C)c(C)c1"]
["1230752","C[C@@H](Oc1ccccc1)C(O)=Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1"]
["133019868","COc1ccc(Cl)c(NC(O)=NCCCCOCCc2ccccc2)c1"]
["161829895","CCC(C)(C)C1(C(C)(C)CC)C=CC=CC1O"]
["179157175","CC(C)(CO)c1ccc2c(c1)NCc1ccc(C(F)(F)F)nc1N2"]
["136013101","CCCCOc1ccc(CCN=C(O)C2CCOC(CCC)C2)cc1"]
["119848147","C=C(C)COCCN=C(O)c1cccnc1Br"]
["97734732","CC(C)[C@@H]1[CH]C[C@@H](C)CC1.CC(C)[C@@H]1[CH]C[C@@H](C)CC1.[Zn]"]
["109403370","C[C@@H](N)CN(C)c1ccccc1S(=O)(=O)N(C)C"]
["138611030","CC1CCC(N(C)C(O)=NCCN2CCC(N(C)C)CC2)CC1"]
["4964811","CC(C)CN=C(O)c1ccccc1N=C(O)CN(CC(=[NH2+])O)C(C)C"]
["158451983","Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-]"]
["197253025","COC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=Nc1cc(F)ccc1C(=O)O"]
["185519335","O=C(On1ncc2ccccc21)C1CCCCO1"]
["79101728","CC1CCC(C(C)CC(C)C2CCCCC2)CC1"]
["193591652","CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.O=C(O)c1cn2cc(Cl)ccc2n1"]
["180382404","N#Cc1c(F)ccc(-c2ccccc2N2c3ccccc3C3=CC2C=CC=C3)c1-n1c2ccccc2c2ccccc21"]
["58369788","COc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)c3cc(C)cc(C)c3)nc12"]
["187370659","C=C(O)C(=C(C#N)C#N)c1c(CC)oc2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12"]
["172930429","CO/N=C(/C1=NOCCO1)c1ccccc1O.CO/N=C1/C(=NOCCO)Oc2ccccc21"]
["MCULE-1865875456","CCN(CC)c1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(N(CC)CC)cc4C)C3)CC2)cc1"]
["MCULE-4726745158","O=C(Cc1cc(F)cc(-c2cccc(C(=O)N3CCOCC3)c2)c1)Nc1ccc(N2CCOCC2=O)cc1"]
["5847647","C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(O)=[NH+][C@H](C)c1ccccc1"]
["79864893","C=C(C)C(=O)O.C=C(C)C(=O)O.CN(OCCCO)OCCCO"]
["185353070","O=C(O)C1=C(Sc2cccc(I)c2)CS[C@@H]2[C@H](N=C([O-])Cc3ccccc3)C(=O)N12"]
["113070575","N=C(O)C(O)CN=c1cc[nH]c(C(=O)O)c1"]
["31170509","CCCN(CCC)CCc1ccc(N(C)S(=O)(=O)c2ccc(C(C)C)cc2)cc1"]
["133952811","CN(CCc1nccs1)C(=O)c1cccc(Oc2cnccn2)c1"]
["149095851","O=C(Cc1ccccc1)N1CCCC1c1nc2c(O)nc(C3(C(F)(F)F)CC3)nc2s1"]
["153222876","C[C@H]1[C@@H](c2ccc(F)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3"]
["79327579","Br.CCCCCCCC(CCCCCCC)C(N)(CCCCCCC)CCCCCCC"]
["MCULE-9886263750","COc1cc(F)cc(-c2cc(F)cc(CC(=O)N(C)CCC#N)c2)c1"]
["181213587","Cc1ccc(N=[N+]=[N-])c(Cc2c(F)cccc2F)c1Cc1ccc(C#N)cc1"]
["140481573","Cc1sc(C(O)=NN=C(O)C(=O)Nc2ccccn2)cc1-c1ccc(F)cc1"]
["162413402","CC1CCN(Cc2csc(Cl)n2)C(C)C1"]
["52366137","CCCCS(=O)(=O)N1CCC(C(O)=NC(CC2CCCCC2)c2ccccc2)CC1"]
["55848473","Cc1ccc(COc2ccc(Br)cc2CNCc2ccccc2Cl)cc1"]
["57596469","CC(=O)N=C1CCC2=C(COC(=O)c3ccc(C=O)cc3)C=C(O)OC2C1"]
["78414666","CCCC(C)C(O)C(P)CC(C)NC"]
["MCULE-8180036992","OC(CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccn1)=NCc1ccccc1"]
["55487813","CC1CCc2[nH]c3ccc(C(=O)OCC(=O)N(C)CC(O)=NC4CC4)cc3c2C1"]
["181995832","O=C1CCC(=O)N1OSc1ccccc1C(F)(F)F"]
["126703072","CCN1CCCC1CN(C)C(=O)C1(N)Cc2ccccc2C1.Cl.Cl"]
["45472009","COc1ccc(CCNCC(O)C2CC2)cc1"]
["69656501","CC=CCCSSCC"]
["197318183","COc1cc([N+](=O)[O-])c(C2(N)CC2)cc1OC"]
["MCULE-9972138586","CCC(C)C(N=C(O)CCc1ccc(Cl)cc1)C(O)=NC1CCC2(CC1)OCCO2"]
["123736063","OC(COc1ccccc1O)=NNc1ccccc1C(F)(F)F"]
["43862273","CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)O"]
["54921814","Cc1cccc(C(N)COCC(F)(F)F)c1"]
["MCULE-2738228104","COc1ccc(F)cc1C(O)=Nc1ncc(-c2ccnn2C(C)C)nc1N1CCCC1"]
["135354076","CC(C)(C)C(N=C(O)N1CCCC1C(O)=NC1CC1)c1cccs1"]
["8006270","COc1cc(/C=C2\\N=C(c3cc(C)cc(C)c3)OC2=O)ccc1OCC(=O)N1CCOCC1"]
["128441012","Cc1ccc(-c2ccncc2)cc1N=C(O)CCn1cccn1"]
["28223130","Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1"]
["169921348","C[C@@H](N=C(O)C1CC1c1nc2ccccc2[nH]1)c1cnc(-c2ccccc2)s1"]
["4277831","COc1ccc(-c2csc(CCN=C(O)Cc3ccc4c(c3)C[C@H](C)O4)n2)cc1"]
["19888440","CC[C@H](C)COC(=O)[C@@H](C#[NH+])c1nc2ccccc2nc1N1CCN(CC)CC1"]
["169665834","CCOC(CN(CCO)c1ccc(C(C)=O)cc1)OCC"]
["MCULE-9429688532","CCN(CC)CCN=C(O)c1cc(F)cc(F)c1-c1cnn(CC)c1"]
["163892737","CN=c1cc(Oc2ccc(N=C(O)C3(C(=N)O)CC3c3ccc(F)cc3)cc2F)c2cc(OC)c(OC)cc2[nH]1"]
["157265226","Cc1noc([C@H](C)N2CCN(C(=O)[C@]3(C)C[C@H]4CC[C@H]3O4)CC2)n1"]
["195951070","C1=NCCC(n2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c3nc4ncccc4cc32)=C1"]
["45554047","CCCNCC1(c2cc(C)cc(C)c2)CC2(CC2)C1"]
["MCULE-5471063054","CCOc1ncccc1C(=O)Nc1ncc(-c2ccc(CC#N)cc2)nn1"]
["MCULE-3581631850","Cn1ncc(C#N)c1N=C(O)Cc1c(F)cc(-c2cncnc2)cc1F"]
["174382149","COCOc1ccc(-c2ccccc2)c(-c2ccccc2O)c1"]
["113550494","CC(C)c1nnsc1C(N)C1=CCCCC1"]
["127457146","Cc1ccc(C(N=C(O)CN(C)CC(C)(CO)CO)c2cccs2)cc1"]
["24107819","Cc1cc(C2CCCN2C(=O)CCc2nnc(-c3ccsc3)o2)on1"]
["49889477","COc1cc(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)ccc1C"]
["85115150","NCCCNc1cscc1Br"]
["63246533","O=C1CCCN1c1ccccc1N=C(O)CN1CCN(S(=O)(=O)c2cccs2)CC1"]
["31171166","O=C(O)CCC(=O)N(C1CC1)C1c2ccccc2N(C(=O)OCc2cccc3cccnc23)C2CCCC21"]
["197772551","c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)c3cccc4oc5cccc6c5c43)n2)cc1"]
["140913469","CC(C)(C)C(N)C(O)=Nc1ccc(Br)nc1.Cl.Cl"]
["157908757","CO[C@]1(C)CCN(S(C)(=O)=O)C1"]
["91750153","CC1SCCSC1C(CC1CCCN(S(C)(=O)=O)C1)NN"]
["111221240","Cc1ccc(N)c(N(CCO)C2CCC2)n1"]
["122872518","CC(O)(CNCc1cccc(F)c1F)c1ccco1"]
["155436217","CCCCCCCC(O)=NCCCc1nc2cccc(I)c2[nH]1"]
["186254703","CCOc1cc(CC(O)=N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)N=C(O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)C(C)[C@H](OC(C)=O)[C@@H]1C"]
["60512663","O=c1c(C2CC2)c1C(Cl)(Cl)C1CC1"]
["23688998","Cc1ccc([N+](=O)[O-])cc1N=C(O)c1c(C(=O)O)cccc1[N+](=O)[O-]"]
["MCULE-1449177933","N#CCCC(O)=Nc1ccc(-c2ccccc2F)cc1F"]
["47633602","C=C(C)C(=O)N(CNC)CNC.C=CC(=O)N(CNC)CNC"]
["114985219","COc1cccc(C#N)c1NC(=O)C(F)(F)C(F)(F)F"]
["121365131","Cc1ccc2cccc(NC(=O)C(=O)NC3CCN(c4ccccn4)C3)c2n1"]
["184481830","COc1ccc(-c2ccc(C#CC(=O)O)cc2)cc1C12CC(C)C=C3CC(C1)C3C2"]
["168946537","O=S(=O)(F)c1ccc(-n2cnnn2)cc1"]
["167687335","CCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCC/C=C\\CCCCCCCC)COP(=O)(O)OCCN=C([O-])CCCCCCCCC/C=C\\CCCCCC"]
["87479174","CCC(N)CC(O)=NC1CCC(c2ccccc2)CC1"]
["15499128","COc1nc(C)cc(C)c1CN=C(O)c1cccc(NC(=O)c2ccco2)c1"]
["MCULE-6290130462","O=C(CN1Cc2ccccc2C1)N1CCOC2(CCCN(Cc3nccs3)CCOc3ccccc3C(O)=NC2)C1"]
["1737436","CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-]"]
["31546868","OC(=NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12"]
["100337023","COc1ccc(CCN=C(O)N2CCC(Oc3cccnn3)C2)cc1"]
["45161881","CCc1ccc(NC(=S)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1"]
["110945815","CC1=NN=C(O)C1CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]"]
["80303992","Cc1nc(N=C(O)c2c(C)c(C3CC3)nc3ccc(Br)cc23)n[nH]1"]
["86121495","O=C(O)CCC1CCN(C(O)=NCC2CCCCS2)CC1"]
["CSSS01209144137","COc1cc(CNc2csnc2OC)ccc1OCC1CCCO1"]
["MCULE-1051500057","Cc1ccc(CN2C(=O)C(Nc3cccc(Cl)c3Cl)=C(c3c[nH]c4ccccc34)C2=O)cc1"]
["199553586","Fc1ccc(-c2ccco2)c(OC(F)F)c1Br"]
["127005809","CC1CCN(CCc2ccc([N+](=O)[O-])cc2)C(C(=N)O)C1"]
["61900714","CCCCOc1ccc(C=C2SC(=Nc3ccccc3F)N(C3CCCCC3)C2=O)cc1OC"]
["85906829","CC1(C)C2CCC1(C)C(OCC(O)(CN)C1CC1)C2"]
["90411150","Cc1cc(C)c(C=C(C#[NH+])C(=O)C2C(=N)N(C)C(=O)N(C)C2=O)cc1C"]
["46368150","COC(=O)CN=C(O)C(c1cccc(C)c1C)N(C(=O)C(CS)N=C(O)OC(C)(C)C)C(C)C"]
["199998459","C=C/C(Cl)=C\\N=C(C)CCC.CCCCc1c(C(C)c2ccc(C)cc2)[nH]c2cc(F)c(Cl)cc12"]
["120737658","Cc1ccsc1C(C)(C)CNCCl"]
["124897489","CN(Cc1ccccc1[N+](=O)[O-])C(=CC#N)c1ccc([N+](=O)[O-])cc1"]
["44034607","CN1CCN(Cc2ccc(CN=C(O)Nc3cccc(-c4nnco4)c3)cc2)CC1"]
["66576183","CCN(Cc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1"]
["69914739","CC(C)(C)c1ccc(C2c3sc(=O)n(CC(=O)N4CCCCC4)c3SC3C(=O)N(c4ccc(F)cc4)C(=O)C32)cc1"]
["MCULE-7457897590","COc1ccc(-c2cc(F)ccc2N=C(O)c2ccc3c(c2)CCO3)c(F)c1"]
["MCULE-2764761206","Cc1cc(C)n(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1"]
["176041341","CC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C=O)nc12.CN1CCN(C)C(C)(C)C1.Cc1nc(C=O)n[nH]1"]
["MCULE-8229418877","CCn1nccc1-c1cc(CC(O)=Nc2ccc(N3CCN(C)CC3)cn2)cc(C(F)(F)F)c1"]
["5396836","C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)C[C@@H](C)O1"]
["53187869","Cc1ccc2c(CC(=O)OCC(O)=NC[C@H]3COc4ccccc4O3)coc2c1"]
["MCULE-3682790951","COc1ccc(N(C)C(=O)Cc2cc(F)ccc2-c2ccc(CC(=O)O)cc2)cc1"]
["2554115","O=C(NCCCOC[C@@H]1CCCO1)c1ccc(CN=C(O)C2CCCC2)cc1"]
["62774737","O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1"]
["77617832","COc1ccc(NS(=O)(=O)c2ccc(C(=O)[NH2+]C(CN(C)C)c3ccccc3)cc2)cc1"]
["170952714","COc1ccc(C(=C(F)C=O)c2ccc(OC)cc2)cc1"]
["47809685","O=C1CCN(CCOc2ccc(Oc3ccccc3)cc2)CC1"]
["169704735","Cl.Cl.O=C(O)Cc1ccc(CC(=O)O)cc1"]
["132324206","COc1ccc(OC)c(C(C)N=C(O)C=C(C)Cc2ccccc2OC)c1"]
["180681642","CCCSc1nc(C)c2ncn(C)c2n1"]
["172364363","C1CCOC1.C1CN2CCN1CC2"]
["139232876","CC1CCCN(S(=O)(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1"]
["MCULE-7913606557","COc1ccc(COc2cn(CCc3ccc(F)cc3)c(CN3CCC(O)CC3)cc2=O)cc1F"]
["18188998","COc1ccc(NC(=O)CSc2n[nH]c(=NC(O)=NC3CCCCC3)s2)cc1"]
["93649771","CCN(CCCO)C(=O)/C=C/c1c(F)cccc1Cl"]
["MCULE-4653560317","O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1C(O)=NCCc1nc2ccccc2[nH]1"]
["MCULE-3422853148","O=C1c2ccc(C(O)=NCC(O)=NCC(c3ccc(Cl)cc3)C3CCCC3)cc2C(=O)N1Cc1ccco1"]
["MCULE-5446472016","COc1ccccc1N=C(O)CNc1ccc(OCCC(C)C)c(-n2cnnn2)c1"]
["193478618","CC(OC(=[OH+])c1ccc([S+](c2ccccc2)c2ccc(C3(C)OCCO3)cc2)cc1)C(F)(F)S(=O)(=O)[O-]"]
["73719494","C#CCOc1cc(C2CC2C(O)=Nc2ccccc2C(=O)O)ccc1C"]
["167503714","C=C(C=NC(/C=C\\C(=C)N(CC(O)COC(C)C)c1c(F)c(OC)cc(OC)c1F)=C(C)C)c1cnn(C)c1"]
["103415240","C[C@@H]1CCC[C@@H](C)N1CC(O)=Nc1ccccc1C(=N)S"]
["MCULE-3242638148","CCCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cc(C)c(Br)cc2C)[nH]1"]
["11081515","CN(C)S(=O)(=O)N=C([O-])c1ccc(C(C)(C)C)cc1"]
["76149243","C=C1/C(=C/C=C2CCC[C@]3(C)[C@@H]([C@H](C)C[C@H]4CC(C(F)(F)F)(C(F)(F)F)O4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]
["12197741","N=c1[nH]nc(-c2cccc(Cl)c2)o1"]
["27196806","CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cccc(CCC(=O)O)c3nc2-1"]
["83484141","Cc1c[nH]c(=N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)c2cc(F)ccc2-n2nccn2)C3)cn1"]
["5635101","CCc1cccc2c(C(=O)CSc3nnc(C4CC4)n3CC)c[nH]c12"]
["MCULE-8510572957","Cc1nc(N=C(O)CSc2ccncc2)ccc1-c1ccc(CN2CCOCC2)cc1"]
["113527453","Cc1ccc(NCC2CCCCN2)cc1N(C)C"]
["158905159","CO[C@@H]1CCC[C@@H](CC(O)=NS(=O)(=O)c2cn(C)nc2C)C1"]
["MCULE-8983120111","Cn1ncc2cc(-c3ccc4c(c3)CCN4C(=O)c3cncnc3)ccc21"]
["77280624","C=CC1CC=CCC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["31138854","CN1C2=C(CCCC2)C(c2cnc3[nH]cc(C(O)=NC(C)(C)C)c3n2)N1O"]
["81208125","CNS(=O)(=O)c1ccc(C=CC(=O)N(CCCN(C)C)Cc2ccc(Cl)c(Cl)c2)cc1"]
["MCULE-3570459376","COc1ccc2cc(C(=O)Nc3cc(C)ccc3OCC(C)C)[nH]c2c1"]
["93125760","CC(N=C(O)c1cc(S(=O)(=O)Cl)cc(F)c1Cl)C1CCC1"]
["MCULE-6910457755","COc1cc(-c2cccc(N=C(O)c3cc(C)ccc3C)c2C#N)ccn1"]
["MCULE-2657477087","CON(C)C(=O)c1cccc(-c2c(C)nn(CC(O)=Nc3cncnc3)c2C)c1"]
["88134935","CCSc1ccc(Cl)cc1-c1cc(C(=O)OC(C)C)n(C)n1"]
["MCULE-4489889985","O=C1C(Nc2cccc(OC(F)(F)F)c2)=C(c2ccccc2Br)C(=O)N1C1CC1"]
["119166545","CC(C)(C)c1cc(C(O)=NCc2ccc(F)c(CO)c2)no1"]
["65981803","COc1ccccc1N=C(O)C1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)CC1"]
["MCULE-5048849469","COc1cccc(-c2ccc3nc(C(O)=Nc4ncc(C#N)cn4)cn3c2)c1F"]
["113780160","Cc1ccc(-c2ccoc2CNC(C)C)c(C)c1"]
["137175204","Cc1ccccc1Cc1nnc(CN(CCC(F)(F)F)C2CCCCC2)o1"]
["MCULE-6634691857","N#Cc1cc(F)cc(-c2cc(F)c(CO)c(F)c2)c1"]
["163804991","COCc1cc(=N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c2cc(F)ccc2[nH]1"]
["57508256","CCC(CC)N=C(O)NC(CCC(=O)O)c1ccccc1"]
["54767848","CCC1CC(CC)C(C(=O)OCC(C)=O)C1"]
["148793026","Cc1ccc(C2(Nc3ccccc3F)OC(=O)c3cccc(Cl)c32)cc1C"]
["172489855","CC#CC(C)(CC)N=C(O)C(Oc1nc2c(C)cccc2cc1I)SC"]
["129171036","CC(C)C(C)N=C(O)CN1CC=C(c2ccccc2F)CC1"]
["129890131","COCCC1(CNC(C)c2cn(C)nc2C)CCC1"]
["95681015","CCOC(=O)CC(C)Nc1c(F)cccc1Cl"]
["44039623","Cn1cnnc1CCNc1c([N+](=O)[O-])ccc(F)c1F"]
["173019176","CCOCC[C@@H]1CCCN(CC)C1"]
["154314998","O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1cccc(OC(F)(F)F)c1"]
["21157784","CCSCCOC(=O)[C@@H]1C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1"]
["136608766","CC(C)Oc1ccc(NCC(O)=Nc2ccc(F)cc2F)c(F)c1"]
["173749258","CC1=C[C@H]2CN(C(=O)N2O)[C@@H]1C(O)=NOC[C@@H]1CCC(O)=N1"]
["60575589","CSCCC(N=C(O)C(CCC(=N)O)N=C(O)C(N)CCCNC(=N)N)C(O)=NC(C)C(=O)O"]
["143623005","COc1ccccc1CN=C(O)NN=C(O)c1ccc(C)s1"]
["21748933","CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]C[C@@H]4C=c5ccccc5=[NH+]4)CC3)cc2)CC1"]
["MCULE-5199966469","OC(CCc1ccccc1)=NCCCN=C(O)c1cccc(-n2cccc2)c1"]
["135115348","OC(=Nc1ccc(CNCc2ccc(F)nc2)cc1)c1ccc(F)cc1"]
["49099217","Cc1ccc(C(=O)N2C(C(=O)N3CCOCC3)COC23CCN(C(=O)C(C)C)CC3)cc1"]
["43045698","CC(N)c1ccccc1N=C(O)CC1CC1"]
["MCULE-9556267867","CCCCCOc1cn(CC(O)c2ccc(Cl)cc2)c(CNc2cccc(C)c2C)cc1=O"]
["MCULE-1630278482","COc1ccc(OC)c(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c(OC)cc2OC)c1"]
["101490496","Cn1ccc(-c2ccc(CN3Cc4ccnc(Oc5cccc6c5OC(C)(C)C6)c4C3=O)cc2)n1"]
["MCULE-9882596512","Cc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1"]
["75038911","CC(CO)C(O)CC(C1CC1)n1cc(C#CCN=C(O)C(F)(F)F)c(=N)nc1O"]
["122158629","O=C(c1ccc(NC(=O)N2CCCCC2c2nc[nH]n2)cc1)N1CCCCCC1"]
["69475311","CC(O)=N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N=C(C)O)c3ccccc3)cc2)cc1)c1ccccc1"]
["159310689","CCOc1cc(N)c(Br)cc1N"]
["47097295","O=C1c2ccccc2CN1CC(=O)N1CCc2ccccc21"]
["79170491","O=S(=O)([O-])CCCN(CCO)CCO.[Na+]"]
["111066506","CNCc1ccc(S(=O)(=O)NCc2ccoc2)c(OC)c1"]
["97926312","Cc1c(-c2c(Cl)cc(C(=N)O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)c2cc(F)ccc2n(C)c1=O"]
["167828852","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCC(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC"]
["169478887","CC/C=C\\C/C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCCCCC"]
["26537099","COc1cc(OC)nc(Oc2cccc(-c3ccc([N+](=O)[O-])cc3)c2C(=O)O)n1"]
["45551272","Cc1nccc(Oc2ccc(C[C@H](N=C(O)[C@@H]3Cc4cc5c(cc4CN3C(=O)OCC(C)(C)C)O[C@@H](c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CO5)C(=O)O)cc2)c1C"]
["MCULE-3605989016","COc1ccnc(C(=O)N2CCc3ccc(-c4cccc(F)c4C)cc3C2)c1"]
["21965980","FC(F)Oc1ccccc1CNCc1cccc2c1OCCCO2"]
["170816863","C=CC(=N/C=C(\\N)Cl)SCCC(=C)OCC"]
["68201923","CCCC1CCC(CCc2cccc(C(=O)O)c2F)CC1"]
["74900532","O=[C]N1CCCCC1N1CCOCC1"]
["19446864","CCOc1ccc(O[C@@H](C)C(O)=NNC(O)=NC[C@H](C)N2CCOCC2)cc1"]
["139595073","O=S(=O)(CCCc1ccccc1)CC(O)=NN=c1cc[nH]cc1Cl"]
["163841644","OC1(c2nc(-c3cnccn3)no2)CCc2cc(Br)ccc2C1"]
["165116750","O=C(O)c1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)cc1"]
["196580583","Cc1ccc(C#CC2CC2)cc1C1(c2cn(CC3CCCCO3)nn2)CC1"]
["16216502","C[C@H]([NH2+]C[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(O)=Nc1ccccc1"]
["65531873","COc1ccc(N2C(=O)/C(=C\\c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(O)=NC2=S)cc1"]
["29391322","COc1cc2cncc(CC(=O)O)c2cc1C(C)(C)OC(C)C"]
["69730372","CC1CN(CCCN2C(=O)N=C(O)C3CCCC(O)C32)CC(C)O1"]
["131054795","CC(Oc1cccc(F)c1)C(=O)OCCOCC(F)F"]
["191435161","CCC(CC)c1ccc(C)c(-c2cc(CC(C)C)cc[n+]2C)c1"]
["53926077","C=CC[C@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)CNCc2ccc(OC)cc2)C1=O"]
["124206584","C=CCCS(=O)(=O)NC1CCN(c2ccccc2C(F)(F)F)C1"]
["174789961","O=CC(=O)c1c2c(Nc3ccc(CCO)cc3)ccc(O)c2cc2c(O)ccc([N+](=O)[O-])c12"]
["168081844","CC(C)C(Oc1ccc(F)cc1)C(=O)N1CCCC1"]
["74786156","O=C(O)C(=CC=Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2csc(N3CCCCC3)n2)c1"]
["109131519","CCCc1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1"]
["142161519","O=C(CNC(=O)c1ccc(N=CO)cc1)Nc1ccc(Br)cc1"]
["159367189","O=S(=O)(c1ccccc1)N1CCCC[C@H](c2cnc[nH]2)C1"]
["199879158","Cc1ccc2c(sc3c(-c4cc(C(C)C)c5ccccc5c4)nccc32)c1F"]
["164937612","COc1ccc(N=C(NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(F)(F)F)c([N+](=O)[O-])c1"]
["176671494","O=C(CBr)c1ccc(Sc2ccc(Cl)cc2)cc1"]
["26987711","Cc1ccc(C(=S)c2c(O)c(C(C)C(=O)O)cc3ccoc23)cc1"]
["190781138","CC[C@@H](C)C(O)=N[C@H](C(=O)N1CCC[C@H]1Cc1c(-c2ccc(F)cc2)n(C2CCNCC2)c2cc(F)ccc12)C(C)(C)C"]
["SN0430466","CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C"]
["61058192","COC[C@H]1O[C@H](O[C@H]2C3CO[C@@H](O3)C(N=[N+]=[N-])[C@@H]2OC)C(OC)C(OC)[C@@H]1O[C@H]1O[C@H]2COC(c3ccccc3)O[C@H]2C(OC)C1OC"]
["149667869","CC(CCCC(C)(C)OCCCCCCNC(C)(C)C)C(=O)C(C)(C)C"]
["124953125","Cc1c(COC(C)C)cccc1NC(=O)C(=O)NC1CC12CCCCC2"]
["150629928","CCN(c1sc2c(c1C)C(O)=NCC2)C1CCN(C(=O)OC(C)(C)C)CC1"]
["149510658","CC1Oc2ccc(C(=O)CS(=O)Cc3ccc([N+](=O)[O-])cc3)cc2N=C1O"]
["MCULE-9186446890","COc1cccc(CC(=O)N2CCc3cc(-c4ccc(C)c([N+](=O)[O-])c4)ccc32)c1"]
["185363492","O=S(=O)([O-])CCc1ccsc1"]
["184702734","CC(C)(C)CC(C(=O)OCCOc1cccc2ccccc12)C(C)(C)C"]
["61603164","COc1cc(C(C)N=C(O)CNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(C)C"]
["20515068","C[C@@H](Sc1nc(O)c2ccccc2n1)C(O)=Nc1ccccc1Cl"]
["173219265","C=CCc1c([N+](=O)[O-])ccc2c1O[C@H](C)CO2"]
["75946380","CCOC(=O)OC(=O)[C@H](C)N(C(=O)OCC)C(CCc1ccccc1)C(=O)OCC"]
["144330996","Cc1ccc(N=C(O)N2CCCN(c3ccccn3)CC2)nc1"]
["4251329","O=C(c1cc(Br)ccc1Cl)N(CC1CC1)C1CC1"]
["6439342","C[C@H](CCc1ccco1)N=C(O)C1CCN(C(O)=Nc2ccccc2)CC1"]
["22963135","O=c1c2[nH]c3ccc(Br)cc3c2nc(O)n1N=Cc1ccccc1Cl"]
["86166435","Cc1cc(=N)[nH]c(CSc2ccc(Br)cn2)n1"]
["113619352","CCCS(=O)(=O)CCOc1c(Cl)cc(Cl)cc1CO"]
["MCULE-6372989269","CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2c[nH]c3ccc(Oc4ccccc4)cc23)cc1"]
["11664110","COc1ccc(C(=O)NN=C(O)CCSc2ccc(F)cc2)cc1"]
["44205535","Cc1cc(Oc2cccc(F)c2)ccc1S(=O)(=O)Cl"]
["67080208","CCN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21.OCCN(CCO)CCO"]
["92654287","CC1(C)CCC(OCc2c(CN)oc3ccccc23)CC1"]
["185578374","O=C(Cc1ccccc1-c1ccccc1)N=c1ccnc(O)[nH]1"]
["MCULE-9412384914","Cc1ccc(CC(=O)Nc2ccc3nccnc3c2-c2ccc(CN3CCOCC3)cc2)cc1"]
["10729681","N=C(O)CC[C@@H]1CCCN(C(=O)CCC2CCCC2)C1"]
["111759285","COc1ccc(C(CC(C)CC(C)(C)C)NN)c(F)c1"]
["80824948","CC(NC(O)=NCCc1ccccc1F)c1ccccc1C(F)(F)F"]
["132390713","CN(C)CCCOc1ccc(CN=C(O)NC2CCCC(C(=N)O)C2)cc1"]
["169223925","CN1CCc2cc3c(cc2C12Cc1ccc4c(c1C2C1=C(N)C(=O)N=C1O)OCO4)OCO3"]
["191006581","CCCOC(=O)C1=C(C)N(C(C)C)C(C)=C(C(=O)OC(C)C)C1c1ccccc1"]
["184797703","[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3cc4c5c(cccc5c32)-c2ccccc2-4)c(-n2c3ccccc3c3cc4c5c(cccc5c32)-c2ccccc2-4)c1"]
["56234169","Nc1cc(I)ccc1Sc1ccc(Cl)cn1"]
["61913641","O=C(N/C(=C\\c1cccs1)C(O)=Nc1ccccc1)c1cccs1"]
["MCULE-4444046684","Cc1cccnc1CN1CCC(CN=C(O)CCC(F)(F)F)CC1"]
["139518925","O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1"]
["92113670","CC1CCN(c2ccc(C(=N)O)cc2F)C(C(=O)O)C1"]
["MCULE-5007006121","CCOc1ccc(F)cc1-c1c(OC)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1C"]
["27647161","CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc3c(c2)C(C)(C)c2[nH]c4cc(Br)ccc4c2C3=O)CC1"]
["159176966","C[C@@H]1CCN(c2nn[nH]n2)[C@H]1CO"]
["159732707","O=C(CCN=C(O)C12CC3CC(CC(C3)C1)C2)N1C2CCC1CC(O)=NC2"]
["22342405","CCn1c(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)[nH+]c2ccccc21"]
["145915230","CC(C)CC(CN=C(O)CCCN=C(O)c1ccccc1)C(=O)O"]
["19862342","CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1"]
["160907185","Cc1ccc2[nH]cc(C(=O)N3CC4(CCOCC4)C3C(C)C)c(=O)c2c1"]
["132546475","CCS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(F)cc3F)CCC2)cc1"]
["163620873","C[C@@H]1CCCC(O)CCCN(C)C(=O)CN2CCN(CCN=C1O)CC2"]
["68379853","CCC(CC)N(CCOC)c1ccc(N)cc1C(F)(F)F"]
["146650947","CSc1ccc(C(CC(=O)O)NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1"]
["146226499","COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CNCC3CC3)CC2)c1"]
["MCULE-3437005586","Cc1cccc(CN2CCN(C(=O)c3nn(C)cc3-c3ccco3)CC2)c1"]
["124722334","CN=C(O)C1CCCCN1C(=O)CCCCc1ccc(C)cc1"]
["109948121","CCc1cc(S(=O)(=O)Cl)ccc1OCc1nnnn1C"]
["MCULE-7821637576","COc1nc(-c2ccc(C(F)(F)F)nc2)cnc1N=C(O)CN1CCOCC1"]
["149719082","CCOC(O)=C([N+]#N)C1(O)C([O-])=Nc2c(C(F)(F)F)cccc21"]
["103269753","CN[C@@H](C#N)CCOc1ccc2c(c1)CCC2"]
["90879870","CN1CCN(C(C[NH2+]C(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)CCN3C)CC1"]
["30861921","O=S(=O)(c1cccc2cncc(Cl)c12)N1CCC(N=C(O)Cn2cnnn2)C1"]
["189917512","COc1nc2ccccc2n1C(O)=NCCc1ccccc1"]
["15978203","N#C/C(=C\\c1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N"]
["133207104","Cc1ccc(S(N)(=O)=O)c(C(O)=NCCCNc2ccccc2)c1"]
["90207121","Cc1nc(C2(O)CC2)sc1C(F)F"]
["170438538","COCOc1ccccc1-c1cc2c(nn1)NC[C@H]1CN(c3ncc(N4CCN(C(=O)OC(C)(C)C)[C@H](C)C4)cn3)CCN21"]
["82311892","COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2Cc2ccc3ccccc3c2)cc(C(F)(F)F)c1.Cl.Cl"]
["125702813","CC(C)CSCCN1CCC(CN2CCOCC2)CC1"]
["187389522","c1ccc(N(c2cccc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)c2)c2ccc3c(ccc4ccccc43)c2)cc1"]
["109721122","CSCC[C@@H](C(=O)N1CCCc2cc(Br)ccc21)N1C(=O)[C@H]2CCCC[C@@H]2C1=O"]
["102995432","COc1cc(N(CC[N+](C)(C)C)Cc2ccccc2)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl"]
["111565591","Clc1ccc(CN=c2nnc3ccccc3[nH]2)cc1"]
["MCULE-1251189148","CCCCOCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCc2cnc[nH]2)C1=O"]
["95579932","C=CCN(CCO)c1c(O)nc(=O)n(CCC)c1N"]
["104220084","COc1ccc(C)cc1[C@H](C)N=C(O)c1ccccc1C(F)(F)F"]
["45147047","CC(Sc1c(O)[o+]nn1-c1ccccc1)C(O)=Nc1sc2c(c1C#N)CCC(c1ccccc1)C2"]
["80259875","O=C1SC(=Cc2ccc([N+](=O)[O-])o2)C(=O)N1Cc1ccccc1[N+](=O)[O-]"]
["77155513","COCCN=C(O)C1=CC(c2ccc(C(F)(F)F)cc2)CC(OCCN(CCO)S(=O)(=O)c2ccc(OC)cc2)O1"]
["33622797","Cc1ccc(CCC(O)O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](O)[C@H](O)[C@@H]2O[C@@H](O)CCc2ccc(C)cc2)cc1"]
["133628000","Cc1cc(C(=O)NC(C)C)ccc1NC(O)=NCCCc1ccccc1"]
["MCULE-4938460029","COc1ncc(-c2ccc3oc(C(=O)N4CCN(Cc5ccncc5)CC4)cc(=O)c3c2)cn1"]
["104828218","CCCN(CC(=O)O)C(=O)CC[C@@H]1CCCO1"]
["58190391","Cc1cc(C)nc(SCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)n1"]
["MCULE-1889464865","CCN(CC)C(=O)c1ccc(-c2c(F)cccc2CC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1"]
["99844130","CC[Si](CC)N([Si](C)(C)C)[Si](C)(C)C"]
["170536234","CC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4oc5ccc6oc7ccccc7c6c5c4c3)cc21"]
["136374694","Cc1ccc(C(=O)N(C)CCOCC2CC2)cc1I"]
["69973986","CC(C)C[C@H](N=C(O)[C@H](C)N=C([O-])[C@H](C)N=C(O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)N=C(O)[C@H](CC(=N)[O-])N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(=O)O"]
["MCULE-6585179007","CCCOc1ccccc1N=C(O)C(C)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl"]
["94758984","CN(C)c1ccc(-c2nc3ccc(CN)cc3n2C)cc1"]
["123149917","CC(C)c1nn(C)c(Cl)c1CN(C)CCc1nccs1"]
["22738244","CCCCC(CC)C(O)=Nc1cc(Cl)ccc1OC"]
["138716668","COc1ccc(N=C(O)COc2ccc(Cl)c(F)c2)c(OC)c1"]
["122251898","O=C(c1ccc(Br)nc1)N1CCCC1c1nc2ccccc2s1"]
["MCULE-9417862027","CC(=O)c1ccc(F)c(-c2cc(C)cc(C(O)=Nc3nc(C)cs3)c2)c1"]
["120368419","Cc1nc(CN(C)C(CN)C(C)CC(C)C)cs1"]
["75024933","CCC(=O)C(C(C)C)[C@](NSCSC(C)=O)(C(=O)O)c1ccccc1"]
["173088680","CCOC(=S)c1ccc(-c2cc(C(F)(F)F)cs2)cc1C"]
["53234019","COC(=O)c1cccc(C)c1NCCOc1cc(C)ccc1C"]
["175134142","CN1C/C=C/C(B2OC(C)(C)C(C)(C)O2)=C\\C=C\\CC1"]
["93467516","CC(N)C(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2"]
["137931798","CCc1nc(CSCC(=O)N(C(C)C)C(C)C)cs1"]
["184547201","COc1cc(S(=O)(=O)c2ccccc2)c(-c2nc(C)co2)cc1O"]
["MCULE-9204935030","CCCCCCOc1ccc(C(=O)NCC(c2c(F)cccc2Cl)N2CCCC2)cc1"]
["155876937","C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3cccc(Cl)c3)CCOCC2)N1"]
["7852527","COc1ccc(C[NH+]2CC(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1"]
["23667163","COc1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)c(OC)c1"]
["MCULE-3338936082","COc1ccc(OC)c(-c2ccc3nc(=NC(=O)c4nccn4C)[nH]n3c2)c1"]
["196812847","C=C1CCC(N2C(=O)C=C(Nc3cccc(CN=C(O)N(C)c4ccc(C)c(Cl)c4)c3)C2=O)C(O)=N1"]
["MCULE-5932164190","CC(C)(C)OC(O)=N[C@H](CC1CCCC1)C(=O)N1CCC(N=C(O)OCc2ccccc2)C1"]
["109356485","Cc1oc(COC[C@H]2CCCO2)cc1C(O)=NN"]
["MCULE-8154158367","Cn1nccc1NC(=O)CCc1cc(-c2ccncc2)ccc1F"]
["87917496","Cc1[nH]c(C2CCC2)cc1C(=O)O"]
["172775662","CC(O)=Nc1c[nH]c2ccc(Cl)nc2c1=NC1CCC(N=C(O)OC(C)(C)C)CC1"]
["144044238","O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(-n2cccn2)cc1"]
["59956118","O=CN(c1ccc(C(=O)c2ccc(N(C=O)c3ccc4c(=O)n(-c5ccc(S(=O)(=O)O)c6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c56)[nH]c4c3)cc2)cc1)c1ccc2c(=O)n(-c3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)[nH]c2c1"]
["22970279","COc1cccc(CN2CCN(Cc3cccs3)C(CCO)C2)c1"]
["76037259","NCCCn1c(-c2ccc3c(c2)OCCO3)cc(O)nc1=S"]
["33148713","Cc1ccc(C(=O)O)c(OCC(O)Cn2cc([N+](=O)[O-])nc2C)c1"]
["119998588","CC(C)C1CC(Nc2cnn(CC(=N)O)c2)C1"]
["23757151","CC1CN(c2ccc(N=C(O)N(CC3CCCO3)CC3CCCO3)cc2F)CC(C)O1"]
["183619840","CCOC(OCC)=P(c1ccccc1)(c1ccccc1)c1ccccc1"]
["186831928","Cc1cc(S(N)(=O)=O)c(C)cc1N1CC(C(=O)O)CC1=O"]
["1273386","Cc1cccc2cc3c(nc12)-c1ccccc1/C3=N/Nc1nc(-c2ccccc2)cs1"]
["1810387","Cc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccccc1"]
["148558361","COc1cc2nc(O)oc(=O)c2cc1Br"]
["113165572","Fc1ccc(Br)c(F)c1CNCC(Cl)C1CC1"]
["45405461","O=C(CCC(=O)c1cccs1)OCC(=O)c1ccc2c(c1)OCO2"]
["60082951","Cc1cccc(CN(C)CC2(C)CCNCC2)c1"]
["126829163","Cn1cccc1C1CCCN1S(=O)(=O)c1cccc2c1OCCO2"]
["50443966","Cc1nc(C(=O)N2CC(C)CC(C)C2)ccc1C(=O)O"]
["142177641","CCN=C(O)COc1ccc(CNC(C)c2cnn(CC)c2)cc1OC"]
["166258102","OC(CSc1cc(Cl)ccc1Cl)=Nc1cccnc1"]
["179323366","CNCc1cc(OC)c(OC)c(C(O)C(C)(C)C)c1"]
["80546422","O=C1CCCN1c1ccc(C=CC(O)=NCCCOCc2ccco2)cc1"]
["92437115","CCNC(CCc1c(Cl)cnn1C)C(C)(C)C"]
["162578563","Cc1cc(N)c(C)c(C[N+](=O)[O-])c1"]
["198572052","CC1(C)C2CN(C(=O)CCOC3(C4CC4)CC3)CC21.CNC.O=CO"]
["MCULE-2726893838","CC(C)(C)C(=O)N(c1ccc(F)c(F)c1)C1CCC(C(C)(C)C)CC1"]
["124830258","CC(CN(C)C(O)=NC1CCN(C)CC1)c1nccs1"]
["57495521","C#CC(C)(C)N1CC(C)NCC1CC"]
["139509023","Cc1nnc2ccc(N3CCN(C(=O)c4csc(CC(C)C)n4)CC3)nn12"]
["159638989","CC(C(O)=NCC1CN(C)CCO1)N1C(=O)C2CCCCC2C1=O"]
["82321653","CC(C)CC(N=C(O)OC(C)(C)C)C(O)=NC1CCC(C)N(C(=O)O)CC1=O"]
["192250593","O=C1N2C[C@@H](CC[C@H]2C(O)=NOCCOC2CCCCC2)N1OS(=O)(=O)O.O=C1N2C[C@@H](CC[C@H]2C(O)=NOCCOC2CCNC2)N1OS(=O)(=O)O"]
["84763243","CC(C)C(CO)N=C(O)c1ccc(Br)cc1F"]
["156506163","C[C@H]1CNc2c(cc(F)c(F)c2F)C1"]
["177876610","Cc1c2c(cc3c1C1c4cc5c(c(C)c4C3C3C(=O)N(c4ccccc4C(F)(F)F)C(=O)C13)C(=O)OC5=O)C(=O)OC2=O"]
["103704284","C[C@H](Sc1nnc(C2CC2)n1C)C(=O)O"]
["9838729","CCN=C(O)CCc1nc2ccccc2n(CC(O)=Nc2ccc(OC)c(Cl)c2)c1=O"]
["51452677","N=C1/C(=C/c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(C3CCCCC3)=NN12"]
["MCULE-5168834525","CCn1nc(C)cc1C(=O)Nc1c(C)cccc1-c1ccc(OC2CCCCO2)cc1"]
["76239947","CCC1(C(=O)OC)OC(=O)C(O)=C1C"]
["103302987","NC[C@]1(N2CCc3ccccc32)CCCc2ccccc21"]
["MCULE-8969757249","COc1cc(Cl)c(C)cc1N=C(O)COc1cccnc1NC(O)=NCC(O)=NCC(=O)O"]
["88565111","CCC1(C(=O)O)CCCN1C(=O)c1cccc(OC)c1O"]
["175140217","N#Cc1cc(-c2nc3ccccc3[nH]2)cc(-c2nc3ccccc3[nH]2)c1"]
["64685480","CSCC=CN1CCCCC1"]
["133718078","CCN(CC)S(=O)(=O)CC(=O)N1CCCC1CC1CCCCC1"]
["26748466","Cc1ccc(Cl)cc1N1CCN(CCOc2scnc2C)CC1"]
["78562155","CC/C=C1/CCCC1C"]
["51948812","COc1ccccc1CN(C)C(=O)c1ccnc(NN)c1"]
["24602012","OCCOc1ccc(CNC2CCCCC2)cc1"]
["42734358","Cc1cc(C)c(-c2ccc(C(=O)O)o2)cc1C"]
["144781967","CC(C)NCC1=CC(=N)NS1(=O)=O"]
["109184040","O=C(/C=C\\c1ccc(Cl)cc1)Nc1ccc(-c2ccccc2)cc1"]
["117448753","CCOC(=O)N1CCC(N=C(O)CN=C(O)C2CC2)CC1"]
["115704096","[C-]#[N+]CC(=O)N1CCNCC1"]
["83338991","CCCC1CC2C(=O)C(c3ccc4c(c3)OCCCO4)=COC2CC1OC(=O)N(C)C"]
["176102604","c1ccc2c(c1)Oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3c1P2c1c(ccc2ccccc12)O3"]
["194639526","FC(F)(F)c1cc(I)c2nc(-c3ccc(-c4ncccc4Cl)cc3)[nH]c2c1"]
["65582614","COc1cc(/C=C(\\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1Br"]
["173670624","Cc1oc(=O)oc1COC(=O)SC[C@H](N=C(O)OCOC(=O)C(C)C)C(=O)OCCN1CCOCC1"]
["98705209","OC(=NCC1CCCNC1)c1cnc(-c2cccc(F)c2)nc1"]
["131253759","CCc1nc(COc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)no1"]
["168710832","CC12CCC3C(CCC4CCCCC43C)C1CC(c1nc3ccccc3[nH]1)=C2O"]
["60825515","CC(C)(CC(=O)O)N=C(O)CSc1cccs1"]
["189913698","NC1CC=C(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]
["143714143","O=C(CCOc1ccc(Cl)cc1Br)N1CCC(O)CC1"]
["3232561","C[C@H]1CN(C(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CCO1"]
["184409530","[B]OC[C@H]1O[C@@H](C)C(O)C1O"]
["30618548","COc1ccc2ncc(N(C)C)c([C@@H](F)CCC3(CC(=O)O)CCN(CC#Cc4cc(F)cc(F)c4F)CC3)c2c1"]
["148726596","O=C(O)C1C(c2cccc(C(F)F)c2)C1(Cl)Cl"]
["136809542","Cc1cc(I)ccc1NC(=O)c1ccc(O)cc1F"]
["152466871","O=C1/C(=C/c2ccc(O)c(I)c2)SC(=Nc2ccccc2)N1CCCN1CCOCC1"]
["42657323","COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)c(OC)c1"]
["122621754","CCCC(CCO)CN=C(O)C(C)Cc1ccc(Cl)cc1"]
["174329969","CCC(CO)O/C=C(N)/C=C(\\C)[C@@H]1C/C=C(/C)CC2CC2[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1"]
["158140001","C[C@@H]1C[C@H](C)C[C@@H](N=C(O)c2ccc(F)c(S(N)(=O)=O)c2)C1"]
["17862472","Cc1c(Cl)cccc1N=C(O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O"]
["132752896","CCCc1nc(CS(=O)(=O)CC2(O)CCCCC2)no1"]
["102167075","CCN=C(O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1"]
["167175525","Cc1ccc(NC2=NC3=S(S2)SC(Nc2ccc(C)cc2)=N3)cc1"]
["176090091","CC.CC1CCC(N2CCOCC2)C1.N/C=C\\C(=NCC1CC1)c1cnc(N)c(OC(F)F)c1"]
["146923326","O=C(O)CC1CN(C(=O)CCc2cc(F)ccc2Br)CCO1"]
["167253719","BrB(Br)/C(=C(/Br)c1ccccc1)c1ccccc1"]
["108641408","CN1c2cc(Br)sc2[C@H]2CCCCC[C@@H]21"]
["MCULE-1182609424","Cc1cccc(CN=C(O)c2c[nH]c3ccc(I)cc3c2=O)c1"]
["78515267","B/C(C=N)=C(/N)N(NC(=O)c1ccc(CN2CCN(CC3CCN(C)CC3)CC2)cc1)C1CCOCC1"]
["CSSS20572398055","CCCC(OC)C(C(O)=NC1CC1)N1C(=O)C[C@@H]1c1ccc(C)o1"]
["142341859","O=Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)[nH]1"]
["64675792","Cc1cc(C)nc(-n2nc(O)c3ccccc3c2=O)n1"]
["20710960","CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(O)=[NH+]c2cccc(Cl)c2C)CC3)CC1"]
["MCULE-6134019918","Cc1ncoc1C(O)=Nc1ncc(-c2ccc(OCC(C)C)cc2)c(C(F)(F)F)n1"]
["76553313","CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1"]
["123779934","Cc1cc(=O)n(C)cc1N=C(O)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1"]
["MCULE-5648930824","CC(C(O)=NC1Cc2ccc(-c3ccc4c(ccn4C)c3)cc2C1)N(C)C(=O)OC(C)(C)C"]
["129798290","COc1ccc(C(N=C(O)Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1"]
["77494889","COc1ccc(S(=O)(=O)NC(C)C(O)=NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1"]
["81162753","CC(C)CN1C(=O)N=C(O)C2C(C(O)=NCc3ccccc3S(=O)(=O)N(C)C)CC(C3CC3)NC21"]
["64170409","NCCc1cc(CCC(=O)[O-])cc(CCc2ccccc2OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1"]
["14805154","CCOC(=O)N1CCC(N2CCC(n3[nH+]ccc3NC(=O)c3ccccc3)CC2)CC1"]
["193351105","CC(=O)CCC(C)(C)SSCOC1C[C@H](C)O[C@@H]1CO[Si](C)(C)C(C)(C)C"]
["79411532","CC(C)(C)C1CN(c2nc(CN3C(=O)CCC3=O)cs2)C1O[SiH](c1ccccc1)c1ccccc1"]
["67698810","CC(C)N(C)C(=O)c1ccc(CN=C(O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1"]
["165842426","C/C(C=O)=C/C1(C)OC(C)(C)OC1C"]
["178048210","Cc1c(-c2nc3cc(CN4CC5CC4C5)c(OC(F)F)cc3o2)cccc1-c1cccc(-c2nc3cc(CN4CCC[C@H]4C(=O)O)c(OC(F)F)cc3o2)c1C"]
["119095216","CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCCC1(C)CO"]
["9553046","COC(=O)c1ccc(OCC(O)=N[C@@H](C)c2ccccc2Cl)c(Cl)c1"]
["111172618","CCc1nn(C)cc1C(=O)N1C(C)CCCC1CN"]
["22954951","COc1ccc(C(CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)N2CCOCC2)cc1"]
["166546542","c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5c6ccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)cc6c6ccccc6c5c4)n3)cc2)cc1"]
["156127170","CC[C@H]1N=c2ccccc2=C2C(=O)N=C(SCc3ccc(Cl)cc3)NN21"]
["60874827","[CH2-]CCOP(=O)(O)OCC(N[C-]=O)C(O)=NCCC(C)C.[U].[V]"]
["119873349","CN1CCC(N=C(O)N(CC(=O)O)C2CC2)C1=O"]
["117012140","CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2Cl)CC1"]
["7656059","CC(=O)c1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2N)cc1"]
["50471623","CCCc1nc(N(C)CC)sc1CNC(C)C"]
["197193757","CC(C)(C)OC(O)=N[C@H](CC=O)c1cncs1"]
["176095897","O=C1CCCc2cc3c(nc21)CCCCC3"]
["MCULE-2804574733","COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)Nc1ccc(C)c(C)c1)CC3"]
["181471938","CN(C)C1(C)C=CC=C[NH+]1[O-]"]
["MCULE-7839707189","COc1ccc(-c2c(F)cc(N=C(O)c3ccccc3)cc2F)c(OC)c1"]
["89081195","O=C(c1cnc(-c2cccs2)nc1Cl)N1CCCCC1"]
["193741819","CCC(C)[C@H](N=C(O)C(C)(C)N(C)C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(O)=N[C@@H](Cc2ccc(OCC(O)=NCCN=C(O)C(CCCCN=C(O)COCCOC)N=C(O)CSC)cc2)CC(C)C(=O)O)cs1)C(C)C"]
["128259482","O=[N+]([O-])c1cccc(CS(=O)(=O)c2ncc[nH]2)c1"]
["139587701","Cc1cc(Cl)ccc1OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1"]
["20061343","Cc1ccsc1CN=C(O)N[C@@H](C)CN1CCOCC1"]
["167378919","CCC(C=O)(Sc1ccc(OC)cc1)Sc1ccc(OC)cc1"]
["54169670","CN(C(=O)N=C(O)CC(C)(C)C(=O)O)C1CCSC1"]
["57662464","CCN1C[C@@H](CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)Oc2ccccc21"]
["7401885","O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccccn3)cc2)cc1)Oc1ccccn1"]
["14608504","O=C(CN=C(O)c1sc2ccccc2c1Cl)N1CCN(c2ccccc2F)CC1"]
["75455368","Cc1c(Cl)ccc(Nc2c(NC(C)Cc3ccccc3F)c(=O)c2=O)c1O"]
["128921954","Cc1ncccc1C(O)=NCCN(C(C)C)C(C)C"]
["MCULE-4625708503","O=C1CC(C(O)=Nc2ccc3nccnc3c2-c2ccco2)CN1Cc1ccccc1"]
["10085734","COc1cccc(CNC(O)=NCc2ccc(-n3ccnc3)cc2)c1"]
["31838442","COC(=O)c1ccc(C=NC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1"]
["194870179","CCCC1(O)C2CCC(=O)C(Cc3cccc(c3)CC(O)C=C3CC(c4cc(CO)cc(NCC(C)(O)C(O)COC5CCCCC5)c4)C#CC4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)CC1OC3=O)C2"]
["172482282","Cc1cc(C)c(-c2ccc(-c3c(O)cc(-c4c(C)cc(C)cc4C)cc3[Si](C)(C)C)c([Si](C)(C)C)c2)c(C)c1"]
["32001208","O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)oc2cc(O)cc(O)c12"]
["64645970","Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)CN1CCC(C(O)=NCCC(O)=Nc2ccc(Cl)cc2Cl)CC1"]
["82593099","CC(C)CC(N=C(O)CN=C(O)c1cc(Cl)ccc1Cl)B1OC(=O)C(C(C)C)O1"]
["135644153","CCN(CC(O)=NCc1ccc(COC)cc1)Cc1cnn(C)c1"]
["31384490","CC(C)(C)OC(O)=NCC(c1ccccc1)c1cc(-c2ccccc2OCc2ccccc2)nc(N)c1CO"]
["MCULE-3728728552","N#Cc1cc(F)cc(-c2cc(F)c(F)cc2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1"]
["167536115","COC(=O)C1=C(C2CCN(S(=O)(=O)CC(O)CO)CC2)NC(c2nccs2)=NC1c1ccc(F)cc1Cl"]
["103401076","COCCc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1[C@@H](C)C(=O)O"]
["136256995","CCS(=O)(=O)N(C)CCCN=C(O)N(C)Cc1ncc(Cl)n1C"]
["112178673","CCOC1CC(NCc2csc(C(C)(C)C)n2)C1"]
["182743718","[N-]=[N+]=NCCCCc1ccc(C(=O)O)c(C(=O)O)c1"]
["97311148","Cc1c(Br)cc([N+](=O)O)c2c1COC(O)=N2"]
["95821546","Cc1cc(C(O)=Nc2cccc(I)c2)co1"]
["43637153","CN1[C@H](C(O)=NCCN2CCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21"]
["108231339","Cc1ccccc1OCCCNCCC(C)C"]
["65969190","N=C1C(=O)N=C(O)C1c1c[nH]c2ccccc12"]
["147386471","CC(=O)N1CCc2ccccc2C1CC(=O)N1CCC(N2CCNCC2)C1"]
["MCULE-9296143088","C=CCC(CC=C)(N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CCN(C)C"]
["141543492","CC(C)(C)c1ccc(O)c(N=C(O)Cc2ccc(S(=O)(=O)C(F)F)cc2)c1"]
["184170588","COC1C=CC(C(O)=NCC2=CC(N=C(O)C3=CC4CCN(C)CC4C=C3)CC=C2)=CC1OC"]
["MCULE-5153489560","OC(=Nc1c(C(O)=Nc2ccccc2)oc2ccccc12)c1cnccn1"]
["188182165","Cc1cc(CCN=C(O)C23CC(N=C(O)COc4ccc(Cl)c(F)c4)(C2)C3)cc(C)n1"]
["44160262","CCC(CNC)Oc1cccc(C(C)(C)C)c1"]
["171114684","Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CCC4(O)C(C2)N(CC2CCC2)CC[C@]314"]
["146546696","Cl.Nc1cccc(CN2CCCCC2CN=C(O)c2ccccc2)c1"]
["136125553","CCc1cccc2c(C3CCN(C(O)=NCCCOC)CC3)c[nH]c12"]
["155564427","COc1cccc(-c2c(C)c(-c3cccc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1"]
["49067112","Cc1ccc(C)c(C(=O)CCC(O)=NCC(c2ccccc2)N2CCCC2)c1"]
["126176590","CCn1nc(C)c(N=C(O)N2CCCC2C2CCCC2)c1C"]
["77565030","Cc1cc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C1CC1"]
["31206398","COc1ccc(C2N=C(O)N([C@H](C(=O)Nc3ccc(I)cc3)[C@@H](C)c3ccccc3)C2=O)cc1F"]
["180324270","c1cc(-c2c(-c3ccncc3)c(-c3ccc(-c4ccc(-c5c(-c6ccncc6)c(-c6ccncc6)c(-c6ccncc6)n5-c5ccncc5)cc4)cc3)n(-c3ccncc3)c2-c2ccncc2)ccn1"]
["169870976","C=CC(O)=NCCN1C[C@@H]2CC2Oc2cc3nc[nH]c(=Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21"]
["150146268","CCN1C(=O)C(=NNc2ccc(C)cc2)C(C)=C(C(=N)O)C1=O"]
["10470464","CCN=C(O)CSc1cc(N2CCCCC2)ncn1"]
["199670000","COC(=O)C1=C(C(=O)OC)N(c2ccc(-c3nc4cc(OC)ccc4[nH]3)cc2)C(N)=C(C#N)C1c1ccccc1"]
["14718043","CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(O)=N1"]
["171035840","C[C]1C=CC(C)=[Ge]1c1ccccc1"]
["118716532","CN=C(NCC(c1cccs1)N1CCOC(C)C1)NC(C)C.I"]
["103420138","CC(C)c1ccc(NC(=O)C[C@H]2C(O)=NCCN2C(=O)CN2CCN(C=O)CC2)cc1"]
["143251718","CCOCCN(CC)C(=O)CCN1C(=O)CCc2ccccc21"]
["117729383","CCN=C(NCCCOC)NCC(C)(C)c1ccc2c(c1)OCO2.I"]
["75683634","O=C(OCCOCCO[N+](=O)[O-])C1CCCN1C(=O)OCCCCO[N+](=O)[O-]"]
["58552822","Cc1cc(N)sc1-c1nc(CSCC(C)C)no1"]
["131654240","COC(=O)N(C)Cc1ccc(NCCCS(=O)(=O)c2cccc(C)c2)cc1"]
["MCULE-1582418736","COC(=O)CN(C(C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1)S(=O)(=O)C1CC1"]
["112229370","CC(O)CC(C)N=C(O)C1CC1(C)C"]
["MCULE-1203614702","COc1cc(-c2ccc(NC(=O)c3ccncc3)c(OC)c2)ccn1"]
["172753979","CC(C)(C)OC(=O)COCCCCOCCCOS(=O)(=O)Cc1ccccc1"]
["MCULE-2611717031","Oc1ncccc1-n1cc(CBr)c(C(F)F)n1"]
["MCULE-7528451644","Cc1cc(-c2ccnc(F)c2F)ccc1CC(O)=Nc1c(C)cc(F)cc1[N+](=O)[O-]"]
["13028312","O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)[NH2+]c1ccc(CN2CCCC2)cc1"]
["166617954","CCN(N)c1ccc(C(c2ccc(C)c(COCc3ccc(OC)cc3)c2)C(C)(C)C(=O)OC)c(C)c1N"]
["MCULE-3650771333","O=C(NCc1ccccc1F)c1ccc(NC(O)=Nc2cccc(C(F)(F)F)c2)cc1"]
["56221518","Cc1cccc(N2CCN(c3ncnc(NCCCn4ccnc4)c3[N+](=O)[O-])CC2)c1C"]
["165283022","O=C(O)/C=C/c1cc(C(F)(F)F)cnc1I"]
["CSSS20621756435","Cc1nn(-c2ccccc2)c2ncc(N=C(O)C3CN(CC(=O)N=S(C)(C)=O)CC3C3CC3)cc12.O=C(O)C(F)(F)F"]
["172186037","C#Cc1c(Cl)ncc(I)c1C"]
["143180375","Cn1ccc(CC(O)=Nc2cccn(Cc3ccccc3)c2=O)n1"]
["11928684","COc1ccc(Cl)cc1[NH+]=C(O)CN(Cc1ccccc1)Cc1ccco1"]
["98041257","CC1c2ccccc2N(C)c2[nH]c3ccc(N=C(O)[C@@H](N)CC4C=NC=N4)cc3c21"]
["MCULE-4706963849","COc1ccc(NC(=O)c2cc(-c3ccc(C#N)nc3)cnc2OC)c(C)n1"]
["MCULE-5270522997","CCOc1ccc(CNCCC(O)=Nc2cc(C)cc(C)c2)cc1OCC"]
["15379770","Cc1cccc(N(C)C(=O)C(=O)N(C)Cc2ccccc2Cl)c1"]
["MCULE-4436543840","Cc1ccc(-c2cc(F)ccc2N=C(O)C(C)N(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-]"]
["9507154","COC(=O)C[C@@H](C(=O)OC)[C@@H](CC(=O)OC)C(=O)OC"]
["167680985","CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2[O-])[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCC/C=C\\CCCCCCCC"]
["MCULE-3771794942","Cc1n[nH]c(C)c1-c1cnn(C(C)C(=O)Nc2ccc(Cn3cncn3)cc2)c1"]
["65744705","CCOc1ccccc1N1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1"]
["89486690","CCNCCc1c(C)n(CC)c2cc3c(cc12)CNC3"]
["MCULE-5193442218","Cc1cccnc1C(=O)N1CCOc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc21"]
["154351237","COc1ccc(Br)cc1C(O)=N/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12"]
["135729326","CCC1(CN=C(O)C[C@@H]2N=C(O)N=C2O)CC1"]
["105433246","CC[C@H](C)OCCOc1ccccc1C(=N)S"]
["155776377","Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccccc3)nc12"]
["188141630","Cc1cc2c(c(C=O)c1OCc1ccccc1)[C@]1(C)c3c(cc(C)c(OCc4ccccc4)c3C=O)C(C)(C)[C@@H]1C2(C)C"]
["90022256","O=[N+]([O-])c1cccc(C(O)CN2CCC(OC3CCCCC3)CC2)c1"]
["51334392","CCN(CC)Cc1ccc2c3c(c(O)nc2c1)CCCN3"]
["124648252","COc1cc(C)ccc1CN=C(O)CCc1nc2cccc(C)c2[nH]1"]
["145446155","NC1CN(c2cncc(-c3cc4c(cn3)NN/C4=C3\\N=c4cccc(N5CCCCC5)c4=N3)n2)C1"]
["CSSS20621679804","CCC(=O)N1C[C@H]2OC(=O)N(C3CCN(Cc4cnc5cnccn45)CC3)[C@H]2C1"]
["MCULE-6816645777","Cc1ccc(C(=O)N2CCOCC2C)cc1-c1ccc(S(C)(=O)=O)cc1"]
["MCULE-7922684190","CC1(C)CC(=O)CC(C)(C)N1C(=O)C1CCN(c2ccc(-c3ccc(N4CCOCC4)nc3)cn2)CC1"]
["175989810","N#Cc1cc(C#N)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)cc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21"]
["44467433","Cc1nc(C)c(CCC(O)=NCCOCCO)c(O)n1"]
["153839052","COc1ccc([C@@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)cc1OC"]
["130923780","COc1ccc(OCCS(=O)C(C)c2nc(-c3cccs3)no2)cc1"]
["MCULE-2093105604","O=C(CCn1cnnn1)Nc1ccc(NC(=O)C2CCCCC2)cc1"]
["107040141","CCOc1ccc([C@H]2N=C(O)NC(C(=O)O)=C2Cl)cc1Cl"]
["86734024","CNC(CCc1ccc2nc(C)ccc2c1)C(C)(C)C"]
["192003099","C#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C[C-]1CC(=O)OC1=O.O=C1CCC(=O)O1"]
["200426232","N=C(O)c1[nH]nnc1-c1c(Cl)cccc1Cl"]
["153225993","COc1ccccc1/N=N\\c1c(O)ccc2ccccc12"]
["130625460","N#CCCn1c(-c2ccccn2)nc2ccc(Cl)cc21"]
["15145476","CCOc1ccc2nc(N(Cc3ccncc3)C(=O)CCCSc3ccc(OC)cc3)sc2c1"]
["112197422","CC(C)(CCc1ccccc1)NCc1cc(F)ccc1O"]
["MCULE-8170952145","CC1(C)CN(C(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c2ccccc21"]
["67057117","CC(=O)c1cnc(Cc2c(F)cccc2Cl)nc1C"]
["44442754","Cc1cccc(SCC2CCC(C(O)=NN)O2)c1"]
["MCULE-5918674106","COc1ccc(-c2ccc(OC)c(F)c2)c(N=C(O)c2ccc(OC)c(F)c2)c1"]
["138875510","O=C(CN=C(O)N1CCN(C2CCCC2)CC1)N1CCCc2ccccc21"]
["MCULE-3876964766","CCOc1cccc(-c2cccc(N=C(O)C3CCC(=O)O3)c2)c1"]
["MCULE-1365576030","COc1cc(F)ccc1C(O)=Nc1cc(F)cc(-c2ccc(S(C)(=O)=O)cc2)c1"]
["MCULE-4548751581","COc1cc(-c2ccc3nc(C(O)=NC4CCS(=O)(=O)CC4)cn3c2)ccc1C"]
["137063710","Cc1cc(C)n(CC(=O)N2CCCN(c3nc(C)ns3)CC2)n1"]
["95381390","Cc1cccc2nc(-c3cccc(N)c3O)oc12"]
["30119112","CCC[C@H]1[C@@H](C(=O)OCC)[C@@H]1[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC"]
["97222966","C=CCOC(=O)CC[CH]COC(=O)CI"]
["6641633","C[C@H](Cn1cncn1)N=C(O)Cc1csc(Cc2ccc(F)cc2)n1"]
["30627431","Cc1cc(CNC2CCC(n3c(=O)c4cc(F)cnc4n(-c4cccc(-c5ccc(O)cc5CN5CCOCC5)c4)c3=O)CC2)nn1C"]
["143114643","CN1CCN(C(=O)c2ccc(Br)nc2)c2cc(F)ccc21"]
["99259113","CN(C)Cc1c(C(O)=NCCOc2ccc(O)cc2C(=N)O)oc2ccccc12"]
["174910409","CO.NC(CCS)C(=O)O"]
["144167897","COC(C)C(O)=Nc1cccc(NC(O)=NCCn2cc(C)cn2)c1"]
["26287992","CCCC(O)=NC(C)CCBr"]
["MCULE-1601388671","CCCC(N=C(O)c1cccc(Br)c1)C(O)=NCCN1CCOCC1"]
["77779890","O=C(c1ccc(Cl)c(Cl)c1)N(CC=Cc1ccccc1)CCN1CCOCC1"]
["156311329","CCC1CC1NC(=O)c1ccno1"]
["57940591","CCN1CCC[C@H](C[NH2+]c2ccc(C(C)=O)cc2[N+](=O)[O-])C1"]
["MCULE-9365819257","CN(C(=O)c1cccc(-c2cccc(C(=O)N3CCOCC3)c2)c1F)c1ccncc1"]
["180446996","c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4cc(-c5ccc6c(-c7cccc(-c8ccccc8)c7)c7ccccc7c(-c7cccc8oc9ccccc9c78)c6c5)ccc34)cc2)cc1"]
["27203808","COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O"]
["160944641","CC(C)c1cnc(N=C(O)N2CCC(C3CCNC3)CC2)s1"]
["155732841","Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c(Br)c1"]
["48043502","CCC(CC)Nc1c2c(nc3c(-c4ccc(N)cc4Cl)c(C)nn13)CCC2"]
["179794074","CC(=O)OC1CCCC2C(C)CCCC12"]
["58048997","N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2C1c1ccc(Cl)cc1Cl"]
["74681026","O=[C]OCOC(=O)OC/C=C/c1ccccc1"]
["MCULE-8228360935","CC(C)Oc1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(C3CCCCC3)C2=O)cc1"]
["105954583","CC[C@H](C(=O)O)n1cccc(OC)c1=O"]
["48479496","N=C(O)CCN=C(O)c1cccc(SSc2cccc(C(O)=NCCC(=N)O)c2)c1"]
["MCULE-5372237987","CC(C)(C)CC(=O)N1C(c2ccccc2)CSc2nnc(COc3cc(F)ccc3F)n21"]
["92812066","CCCn1c(CO)nnc1-c1cccc(C)c1C"]
["186458979","CCCO[C@@H]1C[C@@H](C(O)=NCCc2nc(C)cc(C)n2)CC[C@H]1N"]
["111547835","CCC(Cc1ncc(C)c([N+](=O)[O-])c1C)C(=O)O"]
["44929171","CC(=CCN(C)C)c1ccccc1"]
["MCULE-6323416121","CCN(CC)CC(O)=Nc1ncc(-c2cccc(C(=O)N(C)OC)c2)nc1C#N"]
["11571683","C[C@@H](SC1=NC(=O)CC(c2ccccc2)=N1)C(O)=NCc1ccccc1"]
["MCULE-5164803295","Cc1ccc(OCCOc2cn(Cc3cccnc3)c(CNc3cccc(C)c3C)cc2=O)cc1"]
["5341606","N=C(O)[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1"]
["83913188","CC(=O)N1C[C@@H](O)C[C@H]1c1nc(-c2ccsc2)c2cnc3[nH]ccc3n12"]
["164419473","CCCOc1ccc(C(=O)NCCCOc2cccc([N+](=O)[O-])c2)cc1"]
["106058467","CC[C@@H](NC)c1nnc(-c2ccsc2)o1"]
["164082173","CC(O)=NCc1ccncc1O[C@H]1CCN(c2nc(C)cc(C)n2)C1"]
["MCULE-5947779974","CCCCOC(=O)c1ccccc1Nc1cc(N2CCN(c3nnc(C)n3C)CC2)nc(CCOC)n1"]
["10142880","CN(Cc1ccccc1)C(=O)CN[C@H](C(O)=NC1CC1)c1ccccc1"]
["52862074","Fc1ccc2sc(=NCCC(F)(F)F)[nH]c2c1"]
["6693405","CC(C)(C)OC(=O)N(CCc1ccccn1)C(=O)OCc1ccccc1"]
["16114017","CCCn1nc(C(=O)NN=C(O)c2cncc(Br)c2)c2ccccc2c1=O"]
["66426656","Cc1ccc(N(c2ccccc2C)c2c3ccc(C(C)(C)C)cc3c(N(c3ccc(C)cc3)c3ccccc3C)c3ccc(C(C)(C)C)cc23)cc1"]
["18890447","Cc1cccc(N2CCN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)CC2)c1"]
["128549964","COc1cccc(C(C)C(=O)N2CCCC(CN=C(C)O)C2)c1"]
["150695041","CC(O)=Nc1cc(-c2nn(CCc3cc(C(F)(F)F)ccc3F)c(=O)c3cnoc23)ccc1F"]
["135552780","O=C(C=Cc1ccc([N+](=O)[O-])cc1)OC(c1ccccc1)c1nccs1"]
["18805041","COC(=O)c1ccc([C@H]2/C(=C(\\O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)cc1"]
["178053173","CC(C)c1c(N(c2ccccc2)c2cccc(C3CCCC3)c2)ccc2cc3c(cc12)oc1cc2c(C(C)C)c(N(c4ccccc4)c4cccc(C5CCCC5)c4)ccc2cc13"]
["192321232","N#CCNC(=O)c1ccc(-c2nc(Cc3ccc(N4CCOCC4)cc3)ncc2Cl)cc1"]
["184031175","[N-]=[N+]=Nc1cc(-c2cncnc2)ccc1Oc1cccc2c1Cc1ccccc1-2"]
["96003202","N#Cc1ccc(C(=O)NCC2CCCCC2Br)nc1"]
["6309456","Cc1cccc(N=C(O)CSc2nnnn2C)c1C"]
["MCULE-7031442303","CCOP(=O)(OCC)c1c(C)nn(C(C)c2ccc(OC)cc2)c1I"]
["164441289","CCOC(=O)[C@H](F)ON1C(=O)N2CC1C=C(C)[C@H]2C(O)=NCc1cnccn1"]
["MCULE-9008090771","COc1ccc(-c2nn(-c3ccccc3)c3c2C(c2ccco2)C(C(O)=NC2CCCC2)=C(N)O3)cc1"]
["68928381","CCC1=C([C@H](O)CC/C(=C/c2ccc(CO)o2)c2ccccn2)[C@H](CO)S(=O)(=O)C1"]
["6514022","CC(C)CNC(=O)c1ccc(COc2cccc(Br)c2)o1"]
["7178494","CCn1c(CN2CCCCCC2)nc2cc([NH+]=C(O)c3cc(OC)c(OC)c(OC)c3)ccc21"]
["134676534","CCC(C)(C)NC(=O)c1ccc(NC(O)=NC2C3Cc4ccccc4C32)cc1"]
["21523021","O=C(O)c1cn(Cc2ccc(F)cc2Cl)c2ccc(F)cc2c1=O"]
["MCULE-9078677903","CC(C)OC(=O)c1ccc(COc2nonc2CC(=O)N2CCN(CCO)CC2)cc1"]
["8447754","Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/N=C(O)CN=C(O)c2cccc(C)c2)cc1"]
["27599996","CCC(O)(CC)CCCSC(C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C"]
["118763234","CCN=C(NCCc1c[nH]c2ccc(Cl)cc12)NC1CCN(CC(=O)N(C)C)CC1"]
["166188584","COCCN(CC(C)C)C(=O)Cc1ccccc1[N+](=O)[O-]"]
["MCULE-8817126032","CC(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CCC2)CCO3)cc1"]
["156279747","C=C(Cl)/C=C(\\C=C/C)Cn1ccc(-c2c[nH]c3ncc(N4CCNCC4)cc23)cc1=O"]
["93498451","CN(C)CCn1ncc(Cl)c1C(O)c1nc[nH]n1"]
["64018421","CCOC(=O)/C(C#N)=C\\N(CCCl)CCCl"]
["MCULE-4580293841","COc1cc(OC)c(C(O)=Nc2nccc(C)c2-c2c(OC)cccc2OC)cc1OC"]
["153329006","N[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2F)C1"]
["97231576","CCOC(=O)c1nc(N=C(O)C(F)(F)F)c(F)n1C"]
["156590941","CC(C)(C)c1ncc(C(=O)N2CC(O)=N[C@H]3CCCC[C@H]32)s1"]
["MCULE-8896721399","COCc1ccc(C(=O)NCC(C)(C)CN=C(O)Cn2ccc3ccc(F)cc32)cc1"]
["167186983","CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCC(=O)OC(C)(C)C"]
["59529041","CCN(CC)c1ccc(C=C2SC(=S)N(CNc3ccccc3Br)C2=O)cc1"]
["84078451","CC(C)CCCCC1OC(O)C(O)C1OCc1ccccc1"]
["144211844","COC(=O)c1cccc(CCN=C(O)c2sccc2SC)c1"]
["MCULE-7024058329","CCCCN(C)c1ncnc2c1cc(C(=O)N1CCN(CC)CC1)n2CCCC"]
["158969921","OC(=Nc1cccc(COCCc2ccccc2)c1)N1CC[C@@]2(CCCOC2)C1"]
["165952305","Cc1cc(OCC(=O)N(C)C(C)C2CC2)ccc1C(C)C"]
["28027826","CN=C(O)CCCC=CC[C@H]1C(=O)C=C[C@@H]1C=C[C@@H](O)COc1cccc(C(F)(F)F)c1"]
["1241618","Clc1ccccc1OCCNc1ccccc1OCc1ccccc1"]
["105779389","CC(C)C1CCC(N[C@@H]2CCCN=C2O)CC1"]
["162615288","CC1CCN(c2nnc(CCCl)o2)C1C"]
["157578453","COC[C@@H]1CN(C(=O)c2ccc(C(=O)O)cc2F)C[C@@H](C)O1"]
["MCULE-4397609360","O=[N+]([O-])c1cccc(-c2cc(F)cnc2N=C(O)c2ccccc2)c1"]
["44825531","CC(N)CC(C)OC1CCC(C)C(C)C1"]
["MCULE-7492785328","CCCOC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCC)c(OC)c1"]
["123376008","COc1c(C)ccc(NC(=O)C(=O)N(C)Cc2ccccc2F)c1C"]
["67488894","CCCNC(C)(CO)CCCSc1cccc(C)c1"]
["97760041","OC[C@@H](Br)[C@@H](O)COCc1ccccc1"]
["3063805","Cc1nc(S(=O)(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)cn1C"]
["83103665","CC1(C)OC2OC(COCc3ccccc3)C(Oc3nc4ccccc4s3)C2O1"]
["MCULE-3070603599","Nc1cc(-c2ccc(F)c(F)c2)nc2c(C3CCC3)c(C3CCCC3)nn12"]
["MCULE-6771831650","CCC(CC)C(=O)N1CCC2(CCN(C(=O)COc3ccc(F)cc3)CC2)C1"]
["50810391","Cc1ccc(-n2c(SC(C)c3nc(O)c4c(C)c(C)sc4n3)nnc2-c2ccccn2)c(C)c1"]
["6079839","CC[C@@H](C)N=C(O)[C@H](C)N=C(O)N[C@@H](CC)c1ccc(C)cc1"]
["MCULE-6820189759","COc1ccc(C(=O)Nc2ncc(-c3cc(OC)ccc3F)cn2)nc1"]
["10193274","O=C(N=c1cc[nH]cc1[N+](=O)[O-])c1csc(-c2cnccn2)n1"]
["56415413","COC(=O)c1c(N=C(O)CCSc2nc3ccccc3c(=O)n2C)sc2c1CCC(C)C2"]
["123240153","CC(C)NC(=O)c1ccc(NC(=O)N2CCCC2Cc2cccc(F)c2)cc1"]
["176229838","CC(F)(F)CN1C(=O)c2n[nH]c(-c3cccc4oc(O)nc34)c2[C@H]1c1ccccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["3099766","CCCn1cc(-c2ccnc(NC3CCOCC3)n2)c(C)n1"]
["31980867","CC1CCN(CCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1"]
["177552389","C#CCCCC(=O)OCC(C)(COC(=O)CCCC#C)COC(=O)CCC/C=C\\C[C@H]1CC[C@@H](O)[C@@H]1CCCCCc1ccccc1"]
["56424990","COC1=C(C)C(=O)C2C(C1=O)[C@H](C)[C@H]2c1ccccc1C"]
["192587386","Cc1ccc(N)c(N)c1.Cc1ccc2nc[nH]c2c1"]
["162219076","COc1cc(O)c(C(F)F)c(CC#N)n1"]
["117371654","COCCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CCCC(C)C2)C1=O"]
["59980054","[N-]=[N+]=Nc1ccccc1C[C@@]1(C(O)=NCc2cccc(C(F)(F)F)c2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccc(-c2ccccc2)cc1"]
["14429845","Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(c3ccccc3)CC1)C2=O"]
["100122083","Cc1cc(C)c(S(=O)(=O)N2CCC(Oc3cccnn3)C2)c(C)c1"]
["147318648","COCCOc1ccc(N=C(O)[C@H]2NCCO[C@@H]2C)cc1F"]
["78113514","CN(C)C(=O)[C@H]1CC[C@H](O/N=C(\\C([O-])=N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2csc(=N)[nH]2)CC1.[Na+]"]
["MCULE-6443614744","CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2c(-c3cnn(Cc4ccccc4)c3)cnn2C)cc1"]
["156986348","C[C@@H]1C[C@@H]([C@@H](O)Cc2cncs2)CO1"]
["7492422","O=C(NCC1CCN(c2nc3ccccc3s2)CC1)C(=O)NC[C@H]1CCCO1"]
["176303323","C[N-]C1CCN(c2ccccc2)CC1.[CH3-].[W+2]"]
["82969698","CNn1cc(C(=O)O)c(=O)c2ccc(N3CC(N)C(C)(C)C3)c(O)c21"]
["183582309","O=C1CCCN1c1cn(-c2ccccc2)cn1"]
["74698181","CCCOc1cc(CNC2=NC=CN(/C(=C\\N)c3ccc(CC)cc3)C2)ccc1C"]
["175262669","CC(O[C@H]1OCCN(Cc2nc(O)n[nH]2)[C@@]1(O)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["52170909","NC(CS)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(CO)C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)O"]
["MCULE-6901205583","O=C([C@@H](CN=C(O)OCC1c2ccccc2-c2ccccc21)N=C(O)OCC1c2ccccc2-c2ccccc21)N1CCC[C@@H](c2ccc(Br)cc2)C1"]
["59231122","Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc(Br)ccc3O)C2=O)cc1"]
["82102381","CCn1c(=O)c2c(n(CC)c1=O)=NC(=C1C=CC(=NCc3ccc[nH+]c3)N=C1)N=2"]
["93577982","CCC1(CN2CCC(C)C(C)C2)CCNC1"]
["140270176","CCN=c1[nH]cc(C(O)=NCCCc2nnc3n2CCCCC3)s1"]
["31045177","O=C(NCCc1cccs1)c1ccc(OCCCN2CC3CCCC3C2)cc1"]
["120185019","Cc1ccc(Sc2nncn2C)c(C(=N)N)c1"]
["54279636","CC1=C(c2ncnn2C2CCCCO2)[C@@H](c2ccc(Cl)c(Cl)c2)N2NC=CC2=N1"]
["200581023","CCO/N=C(/C(O)=NC1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(C[n+]3cccc4c3ncn4CCCCN=C(O)OC(C)(C)C)CSC12)c1nc(=NC(=O)OC(C)(C)C)s[nH]1"]
["MCULE-5993813678","O=C1CCC(C(O)=Nc2c(-c3cccc(OC(F)(F)F)c3)cc(F)c(F)c2F)O1"]
["102299742","Cc1nc(C)n(CCCN=C(O)[C@@H]2Cc3cc(Cl)ccc3N2)n1"]
["139556584","CCC1CN2CCCC2CN1C(=O)C=Cc1cc(OC)c2c(c1)OCCO2"]
["34477451","Cl.N=c1[nH]ccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O"]
["MCULE-6444167441","CN(C)C(O)=Nc1ccc(CC(O)=Nc2cccc3ccccc23)cc1[N+](=O)[O-]"]
["61036989","O=C(c1ccc2c(c1)OCO2)N1CCCC(OCc2ccc(F)cc2)C1"]
["MCULE-1360976458","COCc1ccc(-c2ccc(F)cc2C(=O)NC2CN3CCC2CC3)cc1"]
["162012494","CCC1CCC2CC(C)CC1(Cn1ncc(-c3ccc(N4CCc5cccc(C(O)=Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)c1C)C2"]
["185001520","CNc1ccccc1Nc1ncccc1C(C)C"]
["127305021","OC(Cc1ccc2ccccc2c1)=NNC(O)=NCCn1ccnc1"]
["106629371","Cc1nc(O)c(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)c(C)c1Cl"]
["13352344","CN(CC(O)=Nc1ccccc1Cl)C(=O)CNc1cc(Cl)ccc1Cl"]
["141582662","CC(C)(Cc1cccc(Cl)c1)C(O)=Nc1nc2c(s1)COCC2"]
["103394175","COCCN=C(O)[C@@H](C)NCCN(C(C)C)C(C)C"]
["103351629","O=S1(=O)CC[C@@H](NCc2ccc(F)cc2Cl)C1"]
["195849839","Nc1ccc2[nH][nH]c(=NC3C=C(F)C=CC3)c2c1"]
["171252499","CO[C@@H]1OCCC[C@H]1OCc1ccccc1"]
["47748677","CC(C)(C)c1ccccc1OCC(=O)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1"]
["43036447","CCC(C)NCC(O)COc1ccccc1[N+](=O)[O-]"]
["127275549","Cc1nc2c(c(O)nn2C)c(C)c1CC(O)=Nc1ccc2nccnc2c1"]
["116160739","OC(=NCCc1ccccc1)c1c[nH]c(=NC2CCCCC2)cn1"]
["77420110","CC(C)(C)OC(=O)N1Cc2ccccc2C1C(=O)[O-]"]
["13743587","CC1CCN(C(=O)[C@@H](Cc2ccccn2)c2ccccc2)CC1"]
["169638498","CCOc1ccc(N(CC(=O)c2ccccc2)C(=O)C(C)C)cc1"]
["13159219","CCc1cc2ccc(C)cc2nc1SCC(O)=Nc1ccc([N+](=O)[O-])cc1OC"]
["44600162","Cc1cccc(OCC(O)=NN=Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1"]
["16895818","Cc1ccc(Cl)cc1N=C(O)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1"]
["MCULE-1058968461","COc1ccc(F)c(-c2cc(F)cc(CC(O)=NCCCN3CCCC3)c2)c1F"]
["60074485","CCOC(=O)OC1=CCCNC1"]
["70702037","COc1cccc2c1OCC(C(=O)N1CCN(Cc3ccsc3)CC1)C2"]
["157054308","C[C@@H]1CC[C@H](C)NN1C(=O)OC(C)(C)C"]
["19251382","Cc1nc(C(F)(F)F)ccc1-c1nnc([S-])n1C"]
["169552852","CCCCCCCCCCCC/C=C/CC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCC"]
["76801884","CCOP(=O)(OCC)C(C=C(C)C)=CC(C)C"]
["88073238","CN(C)CCc1nc2c(C3=NCCN3)ccc(-c3ccccc3)n2n1"]
["70148960","C#CCOCCN1CC2N(C(=O)CN(CC#C)N2C(O)=NCc2ccccc2)C(CCC)C1=O"]
["148748765","CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](N=C(O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CCCCCN=C(O)OC[C@H]1[C@@H]2CCC#CCC[C@@H]21)C(C)C"]
["MCULE-9814193103","Cc1cc(F)cc([N+](=O)[O-])c1NC(=O)c1cc2cc(-c3cccnc3OC(C)C)ccc2oc1=O"]
["MCULE-4178206047","O=C(Cc1c(F)cc(-c2cccs2)cc1F)N1CCC(N2CCOCC2)CC1"]
["148790660","C[C@H](CN1CC2CCCC21)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]
["53040512","COc1ccc(C(=O)NC(C(O)=N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C(C)C)cc1"]
["175361696","CC.CC.CCCOC(=O)CCCN1CCN(C)CC1"]
["15040772","CCOc1ncccc1NC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1"]
["MCULE-6213908157","CC(N=C(O)CCc1ccc(Br)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1"]
["143606549","COc1ccc(CN=C(O)C(C)C)cc1OC1CCCC1"]
["89710617","Cc1nc(-c2ccccc2Br)sc1C#N"]
["176839067","CC(C)(C)OC(=O)NC(=BOC#N)NCc1nc(-c2cccc(C(C)(C)C)c2)nc2ccccc12"]
["102723373","COc1ccc(C(O)=NC[C@H]2Cc3ccccc3CO2)cc1OC"]
["123559673","Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCCN1CCOCC1"]
["164059917","CC(O)(C[C@@H](O)c1ccccc1I)C1CCCCC1"]
["3489078","CSc1ccc(NC(=O)C(=O)NCCCn2cc(C)cn2)cn1"]
["MCULE-1812383845","CS(=O)(=O)c1cccc(-c2cnn(CC(=O)N3CC4CCCC4C3)c2)c1"]
["104233920","COc1ccc(C)cc1CC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1"]
["18082944","COc1cccc(N=C(O)N2CCC[C@@H]2C(O)=NCc2csc(-c3cccs3)n2)c1"]
["151274772","CC(=O)OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1Cl"]
["116821937","O=C(c1cc(F)c(F)c(F)c1F)N1CCC(O)(C(F)(F)F)CC1"]
["187852824","Cc1cc(OS(=O)(=O)C(F)(F)F)cc2c(=O)c3ccccc3sc12"]
["115020913","Fc1cc(OC2CCCNCC2)c(Br)cc1Cl"]
["53811213","NC(=O)c1ccc(OCCN2C(=O)c3ccccc3S2(=O)=O)cc1"]
["70564901","COC1COCCC1NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1"]
["162025836","Cc1cc(-c2cccc(F)c2)nc2c(C(O)=NC(C3CC3)C3CC3)ncn12"]
["131036516","CN(CCc1ccncc1)C(O)=NCc1coc(-c2ccccc2)n1"]
["45212854","CCOC(=O)[C@H](C)O[Si](CC)(CC)CC"]
["11217673","CCCCc1ccc(CC(=O)N2CCCN(CC(=[NH2+])O)CC2)cc1"]
["MCULE-7338620574","CC(C)Oc1cccc(-c2ccccc2N=C(O)CCc2ccccc2)c1"]
["167180701","CC(C)[C@H]1C/C=C\\C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@@H](C)C(O)=N1"]
["133128422","CCCn1c(C)nnc1SCc1nc(-c2cccs2)oc1C"]
["187248999","CCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1.O=C(O)C(F)(F)F"]
["127383736","O=C(C=Cc1ccc(Br)cc1)Oc1ccc(N2CCOC2=O)cc1"]
["170818666","Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)C34CC[C@@H]3C[C@@]21C4"]
["70513877","OCC1OC(n2[nH]c(-c3cccnc3)nc2=S)C(O)C(O)C1O"]
["26533449","CN(C)CC1CN(c2ccccc2)c2ccccc2O1"]
["86732178","O=C(c1ccccc1Cl)c1cccc2cccnc12"]
["MCULE-8160629057","N#CCc1cccc(-c2ccc(NC(=O)C3COCC(=O)N3Cc3ccccc3)cc2)c1"]
["163360064","OC1=N[C@@H](c2cc(F)cc(Br)c2O)CC1"]
["188177181","CC(C)(C)OC(=O)N1N=CC[C@H]1c1ccc(Cl)cc1"]
["60584416","CN1C(=N)N[C@](C)(c2cccc(-c3cccc(F)c3)c2)CS1(=O)=O"]
["170970661","Fc1cnc(Nc2cccc(C(F)(F)F)n2)cc1Br"]
["MCULE-2204320660","CCOc1ccccc1Cn1nc(C(C)(C)C)c(P(=O)(OCC)OCC)c1O"]
["53052493","CC1(C)CCCC(C)(C)C1CSc1ccccc1"]
["64216173","CO/N=C1\\CCC2(O)C3CCc4cc(O[Si](C)(C)C)ccc4C3CCC12C"]
["188095276","CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](OC3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)O1"]
["196496404","c1ccc(-c2ccc(-c3cc4cc5c(cc4s3)oc3cc4sc(-c6ccc(-c7ccccc7)cc6)cc4cc35)cc2)cc1"]
["42324121","COc1c([N+](=O)[O-])cc(Br)c(C)c1C(=O)N(C)C"]
["162383092","OCC#Cc1ccc2nc(O)oc2c1"]
["91862199","COc1ccc(Br)c(NCc2ccnc(C(N)=NO)c2)c1"]
["26581394","CCCCCCCCCCC1CCCc2ccccc21"]
["162679884","Clc1ccc(Br)c([C@@H]2CCCNC2)c1"]
["122075612","CCN(CCC(=O)OC)Cc1noc(COC)n1"]
["181234076","CCCCCCCCc1cc2ccccc2[c-]c1-c1cccc2ccccc12.[Mg+2].[c-]1cccc2c1Cc1ccccc1-2"]
["SN0419260-02","C=C1/C=C2\\C=CC3(CCC4(C(CCCO)/C(=C(\\C)C(=O)Cc5cccc6c5CC(O)=NC6N)CCC4(C)O)C3O)C(=C2)COCC#CC/C(C)=C/CC1"]
["140080773","OC(=NCc1nncn1C1CC1)Nc1ccc(Oc2ccc(Cl)cn2)cc1"]
["MCULE-6784443409","CC1CCCN(C(=O)c2cnc(-c3ccccc3)nc2O)C1"]
["160404763","CN(C)C1CCCN(C(=O)Cc2ccc3c[nH]nc3c2)CC1"]
["6179572","Cc1ccc(-c2c(C)nn3c(NC[C@@H]4CCCO4)cc(C)nc23)cc1"]
["177398219","CC(C)n1cnnc1-c1cccc(N=C(O)c2cc(-c3ccc(C(F)F)nc3)cn(C)c2=O)n1"]
["MCULE-6203955895","CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(C2CCCCCCCCCCC2)C1=O"]
["16348940","C=CCn1c(S[C@@H](C)c2ccc(F)cc2F)nc2ccccc2c1=O"]
["12204263","CC(C)c1nc(-n2cccc2)sc1C(=O)Nc1ccc(C(N)=O)cc1"]
["159903530","O=S(=O)(c1ccccc1C(O)=NCC(O)C1CCOCC1)N1CCCCC1"]
["117183687","COc1ccc(C(O)CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1"]
["150303769","CCC(=O)OC1CCC2(C=Cc3ccc4ccc(nc4c3)C(C)N=C(O)C3CCCN(N3)C(=O)C(C)N=C(O)C(C(C)C)OC2=O)CC1"]
["141139654","Cl.OC(=Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)C1Cc2ccccc2CN1"]
["117210219","CCc1ccc(C(C#N)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1"]
["188218815","c1ccc(N(c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1"]
["52579108","CS(=O)(=O)c1ccccc1N1C2CCC1C(C(=O)O)C2"]
["125124064","Cc1cc(C)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(Cl)n1"]
["175696391","C=CN=C(C=C)C(=O)NC1CN(C(=O)c2ccc(N)c(F)c2)C1"]
["56851475","O=S(=O)(NCc1cccc(Cn2ccnc2)c1)c1ccc(Br)cc1Br"]
["195033352","CCCCCC1CCCCC1OCC1(O)CC23C(=C1C(=O)O)CC(CCC2C)C31CN(C(=N)NC)C=CC1CNCCO"]
["9206145","CC1=C2[C@@H](c3cccc(F)c3)C(C#N)=C(N)O[C@H]2N=N1"]
["68892189","Cc1ccoc1C(O)=Nc1ccccc1OCC(=N)NO"]
["MCULE-3644566597","CC(C)c1nn(-c2cc(F)c(F)c(F)c2F)c(C(F)F)c1I"]
["193054322","CC(C)(C)OC(O)=NC1CCC(N)CC1.COCCOCCC(=O)ON1C(=O)CCC1=O.COCCOCCC(O)=NC1CCC(N=C(O)OC)CC1"]
["14659757","COc1cc(C(O)=Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc(OC)c1OC"]
["99221593","CCCCCCCC/C=C/CCCCCCCC(=O)Nc1ccc(SC(=O)CCN=C(O)C2OC(C)(C)OCC2(C)C)cc1"]
["89986699","COc1ccccc1CN=C(O)c1cn(C)c(=O)n(C)c1=O"]
["13328964","COc1cccc(OCc2nnc(SCC(=O)[O-])o2)c1"]
["176994380","COCCN1CC(C(O)=Nc2cccc3c(O)nccc23)CC1=O"]
["MCULE-7476877065","COc1ccc(CC(O)=Nc2ncc(-c3ccc(F)nc3)nn2)cc1"]
["32627854","CC(C)(C)[Si](Oc1ccc(OC[C@@H](O)CNCCc2ccc(NC3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2)cc1)(c1ccccc1)c1ccccc1"]
["110254031","Cc1c([C@@H](C)N=C(O)C[C@@H](N=C(O)c2ccccc2Cl)c2ccccc2)cnn1C"]
["MCULE-8166642240","CCN(C(=O)CCN=c1nc(O)c(-c2ccc(F)cc2)c(C)[nH]1)c1ccccc1"]
["90954178","CCCCCCCCCCCC[Te]c1ccc2ccccc2c1"]
["MCULE-2761044717","CCc1ccc(N=C(O)C(C)(C)N=C(O)Cc2nc(-c3ccccc3OC)oc2C)cc1[N+](=O)[O-]"]
["129605753","Cc1noc(C)c1CCC(O)=Nc1nc(Cc2ccccc2)cs1"]
["154746943","CCOC=CC(O)=NC1CCOC(C)(C)C1"]
["139205050","CC(C)(C)OC(=O)N(CC(=O)N1CCN(Cc2ccon2)CC1)C1CC1"]
["MCULE-7980236560","O=C(NCCc1ccc(Cl)cc1)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1"]
["95510312","OC(CNCCSC(F)(F)F)=NCc1ccccc1"]
["MCULE-9080102278","COc1cccc(C(=O)Nc2ccc(CC(O)=NCc3cccnc3)cc2)c1"]
["149869671","CO[Si]1(CCCN)OC2CCC3C2C2(O1)C1C4CC4C1C32"]
["MCULE-3125282550","COc1ccc(CCC(O)=Nc2ccc3c(c2)OCCN3S(=O)(=O)c2ccccc2)cc1"]
["59500162","Cc1cc(C(=O)O)ccc1NC1CCC(=O)N(C)C1=O"]
["66186263","CCOC(=O)c1cccc(N=C(O)CCOCC(F)(F)F)c1"]
["103170624","CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1ccc(OCc3ccccc3)cc1)CCO2"]
["116957012","C=CCN(CCO)C(O)=NCc1ccc(C)nc1N1CCCC1"]
["95590275","CC(C)CNCc1cnc(SCC(C)CO)nc1"]
["89825982","Cc1ccc(NC(=O)C(C)n2c(=O)ccc3cc([N+](=O)[O-])ccc32)cc1"]
["29814930","COc1ccc(Br)cc1CSc1ccccc1CN1CC[C@@H](O)C1"]
["196201823","CCC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC"]
["57924023","CCC(O)=Nc1cc(N=C(O)CCN=C(O)C2CCN(C(C)C(=O)Nc3ccc(C(=O)N4CCC(C)CC4)cc3C)CC2)ccc1Cl"]
["94809664","CCC(CN)Nc1nc(C)cc(OC)n1"]
["174348048","C=CC1=C(/C(C)=C\\C)c2ncccc2B1c1c(C)cc(C(CC)CC)cc1C"]
["79413247","CCO[Si](CC)(CC)OCC.CO[Si](C)(OC)OC"]
["170205271","C=COCC(C)OC=C.C=COS(=O)(=O)C=C"]
["MCULE-3640049443","COc1cccc(N(C(=O)OCc2ccccc2)C2CCCCC2)c1"]
["105051762","COc1ccccc1[C@H](C)CC(=N)O"]
["49749124","Nc1ccc2c(c1)c(C(=O)C[C@@H]1CN3CCC1CC3)nn2C(=O)C(F)(F)F"]
["26056069","O=[N+]([O-])c1ccccc1COCc1ccccc1[N+](=O)[O-]"]
["28695041","CC(C)(N)C(O)=NC(COCc1ccccc1)C(=O)N1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1"]
["83056351","Cl[CH]Cl.[CH2]CCC.[Sn]"]
["169665253","CCCCCCCCC(C(=O)O)N(Cc1ccccc1)c1ccc(C(C)=O)cc1"]
["148326399","O=C1CC(C(O)=NC2(C(=O)O)CCOCC2)CN1c1ccc2c(c1)OCCO2"]
["106878310","CC(C)(C)[C@H](O)CCN=C(O)C1CC1"]
["51473051","CN(C)S(=O)(=O)c1ccc(-n2cc(I)cn2)c(N)c1"]
["88217693","CC(C)CONCC1CCCCC1"]
["55409181","CSCCC(N)C(O)=NC(CCCNC(=N)N)C(O)=NC(Cc1ccc(O)cc1)C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)O"]
["52729196","COc1cccc(NC2(CN)CCN(C(C)C)C2)c1"]
["18415542","CCCN=C(S)NN=C(O)[C@H](C)N=C(O)c1cccc([N+](=O)[O-])c1"]
["56958785","Cc1cccc(Cn2cccc(C(=O)NCC(O)COc3cccc(Cl)c3Cl)c2=O)c1"]
["20859000","CCN1CCN(C(=O)CC2CCN(Cc3[nH+]ccn3CC)CC2)CC1"]
["52803531","CC(C)C1CC[C@@H](C)C[C@H]1C"]
["MCULE-4125086388","CC(O)=Nc1ccc(-c2ccc(F)cc2CC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1"]
["MCULE-7750166988","CCc1ccnc(N=C(O)c2cc(-c3ccccc3N(C)C)cc([N+](=O)[O-])c2C)c1"]
["157978689","C[C@@H]1N=C(O)CC[C@@H]1N=CO"]
["143308074","CCS(=O)(=O)c1ccc(F)c(C(O)=Nc2nccc3sccc23)c1"]
["MCULE-1716446097","CC(C)c1nn(Cc2cccc(Cl)c2O)c(Br)c1C(F)(F)F"]
["185086823","CCc1cc(C#CC(O)c2cc(N(C)Cc3ccc(F)cc3)c3c(c2)C(C)(C)CCC3(C)C)ccc1C(=N)O"]
["123686751","COc1cc2c(cc1CN=C(O)N1CCC3CCC(C1)N3C)OC(C)C2"]
["MCULE-9747936098","O=C(c1cc(=O)c2cc(-c3ccc(F)nc3)ccc2o1)N1CCN(CC2CC2)CC1"]
["172355091","NC1CCN([C@@H]2O[C@H](CO)C(O)C2O)C(O)N1"]
["MCULE-2796714609","COc1cc(CC(=O)N2CC(OC(C)C)C2)c(-c2cc(F)cc(C#N)c2)cc1OC"]
["69015676","CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)C=Cc1ccc(OC)cc1"]
["166367464","CC1=CC(=O)/C(=C\\NN=C(O)Cc2ccc(Br)c3ccccc23)C=C1"]
["136524469","Cc1nn(C)cc1C(C)N=C(O)Cn1c(C)cc2ccccc21"]
["175979338","CCC(C)N1N=CN(c2ccc(N3CCN(c4ccc(OCC5COC(Cn6nccn6)(c6cccc7ncccc67)O5)cc4)CC3)cc2)C1O"]
["134925020","CC1CCCCN1C(O)=Nc1ccccc1OC(F)F"]
["MCULE-2606583511","Cc1cnn(CC(O)=Nc2ncc(-c3ccc(F)cc3C)cc2C)c1"]
["94243123","Cc1ccccc1C(=O)C1(C)CCCCN1"]
["116420243","CCCCCNC(=NC)N1CCSC(C)(C)C1.I"]
["MCULE-6585525694","CCc1ccc(C(O)=Nc2c(C#N)cccc2-c2c(C)cc(C)cc2C)cc1"]
["141798082","CCOC(=O)N(C)c1ccc(NCc2ccc(C#N)s2)cc1"]
["MCULE-7609934441","COc1ccc(Cl)cc1S(=O)(=O)NC(O)=NCCCn1ccnc1"]
["135225449","COc1ccc(C(N=C(O)N2CCN3CCCC3C2)C2CC2)cc1"]
["12784730","CN1OC[C@@H](S(=O)(=O)NCc2cccc(F)c2)[C@H]1c1ccc(F)cc1"]
["169053212","CC1(c2cccc(Oc3ccc(N)cc3)c2)N=C(S)NC(N)=C1C#N"]
["MCULE-8930689397","COc1ccc(CN2CCC(N(C)C(=O)c3ccc(Cn4nc(C)cc4C)o3)CC2)cn1"]
["27991077","O=C(/C(=C/[N+](=O)[O-])C1COCC(Cc2ccccc2)O1)C1CCNC(C(=O)O)C1"]
["65961074","CCCCN=C(O)C(c1cccc(C)c1C)N(CCC)C(=O)C(C)N=C(O)OC(C)(C)C"]
["148345017","O=C(O)C(N=C(O)C1CCCc2ccccc21)c1ccc2c(c1)CCO2"]
["118940352","CN(C)C(=O)CN=C(NCC1(c2cccc(F)c2)CC1)NC1CCCC1.I"]
["184766398","c1ccc(-c2cc(Oc3cccc(-c4nccc5ccccc45)c3)c3ccccc3c2)nc1"]
["105495577","CC(C)N[C@H](C(=N)O)c1ccco1"]
["120836169","CC1=C(C2CNC2)S/C(=C2\\C=Nc3ccccc32)N1"]
["194344206","Cc1cccc2c1OC(C(=O)Cc1ccc(C(C)(C)C)c(O)c1)CC2.[HH]"]
["55182856","CCCCCCC(C)NCCn1ccnc1"]
["16353736","O=c1oc2ccccc2n1CCCC(O)=NC[C@@H]1CCCO1"]
["107629967","Cc1ccc2c(c1)OC[C@@H](N)C2=O"]
["193550519","CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC1COC(C)C(C)O1"]
["111532783","Cc1ccc(C)c(S(=O)(=O)NCCc2cccnc2)c1N"]
["132885097","CC(CN1CCOCC1)N=C(O)N1CC(c2ccc(F)cc2)CC1C"]
["92957959","CCCn1nccc1C(CC(C)(C)C)NN"]
["MCULE-5023650958","CCOc1ncccc1-c1cc(F)c(F)cc1NC(=O)Cc1cc(C)ccc1C"]
["165280309","Cc1ccnc(O)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"]
["198705338","CC1CCCC(c2cn(C)c(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C(C)F)N=C1O"]
["109604848","Cc1noc(C)c1CN1C[C@@H]2C[C@H](C(O)=NC3CCC3)[C@@H](C1)O2"]
["105384107","CCOc1ncccc1CN=C(O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1"]
["MCULE-2506081264","CCOc1cc(-c2cc(F)c(F)cc2CC(O)=Nc2cccc(C#N)c2)ccc1F"]
["110510445","O=C(O)CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccc(OCc6ccc(Cl)cc6)cc5)[C@@H]34)[C@H]2C1=O"]
["64117553","CCOc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(CCCCO)C(C(=O)Nc4ccc(N(CC)CC)cc4)C34CC[C@]2(C)O4)cc1"]
["120374219","CCCc1nc(CC(C)OC)ncc1CNC"]
["MCULE-3835095828","CC(C)(C)OC(=O)N1CCCC1C(O)=NCc1cncc(-c2cnn(C3CCCCO3)c2)c1"]
["177824712","COC1=CCC=CC1C"]
["MCULE-5715410971","Cc1nc(C)c(CC(O)=NC(Cc2ccc(O)cc2)C(=O)N2CCOc3ccccc32)s1"]
["146297517","O=C1C(N=C(O)CNCC2CC2)CCCN1c1ccccc1"]
["1495860","Cc1csc(N2CCCN([C@@H](C)C(O)=Nc3ccccc3C(C)C)CC2)[nH+]1"]
["MCULE-4359859800","Cc1cc(-c2ccc(N=C(O)CS(C)(=O)=O)nc2C)ccn1"]
["MCULE-4248238024","Cc1cc(CC(O)=Nc2nc3ccc(Br)cc3s2)on1"]
["144676097","Cc1cc(C(C)N)cc(N(C)C)c1C"]
["183332813","CCCCOC(=O)N1CCC(O)C(CCCC=COC(OC)(OC)OC)C1"]
["175434904","C[C@@H]1COCCN1c1cc(-c2ccnn2C2CCCCO2)nn1C"]
["19112125","Cc1ccc(COc2ccc(Br)cc2/C=C2/N=C(O)N=C2O)cc1"]
["MCULE-9699711087","COCCCN=c1nc(N2CCN(c3ccccc3Cl)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1"]
["124285006","Cc1cc(C)c(N=C(O)c2ccc(Cl)c(F)c2)c(C)n1"]
["MCULE-8107954424","COc1ccc(-c2cccc3c2CCN(C(=O)c2c(C)ccc[n+]2[O-])C3)cc1F"]
["MCULE-4397273418","Cc1ccnc(N=C(O)c2cncnc2)c1-c1cccnc1F"]
["109017475","C[C@H](Sc1nnc(S[C@@H](C)C(O)=N/N=C\\c2ccc(N(C)C)o2)s1)C(O)=N/N=C\\c1ccc(N(C)C)o1"]
["56272985","CN(Cc1cc2ccccc2[nH]c1=N)CC1CCCCC1"]
["33537306","N=c1[nH]c(Cl)cc(=Nc2cc(F)c(Sc3ccncc3)c(F)c2)[nH]1"]
["29804825","COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)cccc5Cl)C4)C[C@@H]3C(=O)O)c2c1"]
["126549256","CCCN(CC(O)=NC(=N)O)C1CCCN(Cc2ccccc2)C1"]
["1922173","CCCc1nnnn1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21"]
["23645979","CC(N=c1[nH]cnc2cc(-c3ccc(F)cc3)sc12)c1nnc2ccccn12"]
["174208841","O=C(O)c1cc(Oc2c(F)c(F)c(F)c(F)c2F)c(Oc2c(F)c(F)c(F)c(F)c2F)c(Oc2c(F)c(F)c(F)c(F)c2F)c1F"]
["MCULE-5054261502","COc1cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c(-c2cc(F)cc(C#N)c2)cc1OC"]
["177313571","O=C1C(N=C(O)N2CC(F)C2)CCN1c1cccc(OC(F)(F)F)c1"]
["MCULE-4691306430","CC(C)Oc1cccc(-c2cccc(C(=O)N3CCC(N4CCOCC4)CC3)c2)c1"]
["76105649","O=S(=O)(Nc1nccs1)c1ccc(C(O)=NCc2cccc(C(F)(F)F)c2)c(F)c1"]
["169279037","c1cncc(-c2ccc(=N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)[nH]n2)c1"]
["131356504","CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(N3CCCC3=O)c2)s1"]
["160930044","O=C1CN(C2CCCC2)C(=O)N1c1ccc(C2CCC2)cn1"]
["MCULE-8601772553","Cc1cc(C(O)=NCCCOC(C)C)c(F)c(-c2cccnc2OC(C)C)c1"]
["130756955","CCOc1cc(C#N)ccc1OC(=O)C1SCCc2sccc21"]
["MCULE-8263851781","CCOC(=O)c1c(-c2ccc(OC)cc2)csc1N=C(O)c1c[nH]c2ccc(N(C)C)cc2c1=O"]
["69264269","Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2)cc1"]
["94623322","CCCCN(CCO)C(=O)[C@H](N)CCSC"]
["67158548","CN(C)Cc1c(Oc2ccccn2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.Cl.Cl"]
["190543517","Brc1ccc2sccc2c1.C1COCCN1.c1cc2cc(N3CCOCC3)ccc2s1"]
["160567189","Cc1nn(C)cc1CN=C(O)C(C)(C)S(=O)(=O)C1CC1"]
["MCULE-2510025347","CN=C(O)c1cccc(-c2cc(NC(=O)c3cc(C)ccc3F)c(C)cc2F)c1"]
["62027929","O=C1C=CC(=CNN=C(O)c2cc(-c3ccco3)nc3ccccc23)C(O)=C1"]
["174052603","Cc1ccc(Cc2c(O[C@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)nn(C(C)C)c2C)cc1F"]
["MCULE-4553328994","Cc1ccc(N=C(O)c2ccc(N3CCN(C(=O)N(C)C)CC3)cc2)cc1"]
["58995567","[CH]1C=CC=C1[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1"]
["58346602","N=C(O)CCC(N=C(O)C1=COCCO1)C(=O)O"]
["149130155","CCOc1ccc(C2=C(O)C(=O)N(c3cccc(Br)c3)C2c2cc(OC)ccc2OC)cc1"]
["30496299","CC(C)S(=O)(=O)N[C@H]1COCC[C@@]1(O)c1ccc(Br)cc1"]
["116558277","CN=C(NCc1ccc(C)cc1OCCOC)NCC(C1CC1)C1CC1"]
["MCULE-1241454828","COC(=O)N1CCC(C(=O)Nc2cc(C)c(-c3cccnc3OC(C)C)c(C)c2)CC1"]
["MCULE-2222004833","COc1ccc(CC(=O)Nc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C#N)cc1OC"]
["168886209","NS(=O)(=O)c1ccc(C(=O)N2CCC(C(O)CO)CC2)cc1"]
["158454459","CC(C)(C)OC(=O)C1CCN(C(=O)[C@@H]2CCN=C(O)C2)CC1"]
["3598175","COc1ccc(N=C(O)[C@](C)(O)c2ccccc2)cc1NC(=O)c1ccco1"]
["152431523","CCOc1cc(/C=N\\N=C(O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F"]
["96545052","CC(C)c1cccc(C(C)C)c1-c1cc(-c2cccc(-c3cc(-c4c(C(C)C)cccc4C(C)C)cc(-c4c(C(C)C)cccc4C(C)C)c3)c2S)cc(-c2c(C(C)C)cccc2C(C)C)c1"]
["30587857","Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(CNC(C)(C)C(=N)O)cc1.Cl"]
["189030214","COC(=O)N1CCc2ccc3c(nc(C4CCNCC4)n3CCc3ccccc3)c2C1"]
["67911465","CCN1CCN(C2CCC(CC(=O)OC(C)(C)C)CC2)CC1"]
["50243661","CC(OC(=O)CN=C(O)c1cccc(Br)c1)C(O)=Nc1cccc([N+](=O)[O-])c1"]
["62088070","O=C(O)c1ccc(C=Nc2ccc3ccccc3c2)cc1"]
["31432320","O=C(c1cc2ccc(Br)cn2n1)N1CCn2c(ccc2-c2nn[nH]n2)C1"]
["49009295","CCOc1cc(C(=O)N2CCC3(O)CCCCC3C2c2ccc(O)c(OC)c2)cc(OCC)c1OCC"]
["MCULE-2919207494","COc1cnc(C(O)=NC2CCCN(C(=O)c3ccccc3OC)CC2)cn1"]
["65325992","C=C1CC(C)CC(C)(C)C1C(=O)/C(C)=C/C"]
["98056631","CC1(C)CC(=O)C(/C=N/c2ccc3c[nH]nc3c2)=C(O)C1"]
["34427375","CN=C(Nc1ccccc1)C(C(C)=O)C(=O)N(C)C(=O)O"]
["30685722","O=C(O)c1ccc(-c2c[nH]c(=Nc3ccc(C(=O)NCCN4CCOCC4)cc3)c3nccn23)cc1"]
["8447548","COc1ccccc1[C@H]1C[C@H]1N=C(O)N1CCC[C@H](C(=O)N2CCOCC2)C1"]
["18985801","COc1ccc([C@H]2CC(=O)[C@@H]3C(=NC(C)=C(C(=O)OCCc4ccccc4)[C@@H]3c3cccc(C)c3)C2)cc1OC"]
["176429168","COc1ccc(CN2C(=O)C(C)(C)c3cc([N+](=O)[O-])cc(O)c32)cc1"]
["4762119","COCCN(C(=O)c1cnc(-c2cccs2)s1)C1CCCC1"]
["MCULE-5390170584","CC(C)COc1ccc(-c2cnc(N=C(O)c3c(F)cccc3F)c(C#N)n2)cc1"]
["165145484","CCC(C)/C(C)=N\\N=C(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]
["MCULE-9814131845","CCc1cc(Cl)nn1-c1ccccc1C"]
["68628903","COc1ccc(NS(=O)(=O)c2ccc(N=C(O)c3ccccc3F)c(F)c2)cc1OC"]
["23314907","CCc1ccc(-c2csc(N=C(O)C3CCS(=O)(=O)C3)n2)cc1"]
["17803527","CCn1cc(NC(O)=NCc2cccc(C(O)=NC)c2)cn1"]
["MCULE-5786553731","COc1cc(F)cc(C(C)n2cc(CC(C)C)cn2)c1"]
["33039412","C#Cc1ccc(-c2nc(C)c(C(=O)O)s2)cc1C#N"]
["63327055","Cc1cccc(N=C(O)CNCCc2cccs2)c1"]
["22089014","Cc1ccc2nc(CNc3ccccc3Cc3ccccc3)cc(=O)n2c1"]
["MCULE-9270722196","CCOC(=O)c1sc(N=C(O)c2cc(=O)c3c(C)cc(C)cc3[nH]2)c(C#N)c1C"]
["MCULE-4858248160","COc1cc2c(cc1OC)C(c1cccc(F)c1)N(c1cc(N(Cc3ccccc3)C(C)C)nc(C)n1)CC2"]
["167778803","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC([O-])=NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC"]
["122058150","COc1ccc(C(C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1OC"]
["185787879","CN1CCC(COC(c2cccs2)C(O)CNCc2ccc(C(=O)[O-])s2)CC1"]
["5675859","CCN(Cc1ccccc1NS(=O)(=O)Cc1ccc(F)cc1)C(C)=O"]
["97392999","N#CSCc1nc2cc3nc4ccccc4nc3cc2nc1CSC#N"]
["3805380","C[C@@H](Sc1ccc(Cl)cc1)C(O)=N[C@H](C)c1ccc(F)cc1"]
["MCULE-7779295279","COCc1ccccc1-c1ccccc1OC(C)C(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1"]
["68597409","CCc1ccc(C(=O)Nc2nc(C)c(-c3nc4ccccc4n3C(F)F)s2)cc1"]
["148334981","COc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)O)CC2)cc1OC"]
["66830548","CCOc1ccc(NC(CC)CC(C)CC)c(C)c1"]
["163634436","CC(C)CC(c1ccc(O)c(Br)c1)C(C)C"]
["174506386","C#C.CCc1oc(C(=O)NC(CCCc2ccc(OCc3ccoc3)cc2)C(=O)O)c(C)c1C=C(C)C.Clc1ccccc1"]
["107089905","CCc1ccc(-c2cc(=O)c(C(=O)O)cn2C2CC2)cc1"]
["104398867","C[C@@]1(c2cc(F)ccc2F)N=C(O)N(CCC(O)=Nc2ccccc2C#N)C1=O"]
["28487046","Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCc2c(ncnc2N=C(O)CC23CC4CC(CC(C4)C2)C3)C1"]
["163324137","CCOC(=O)c1cccc2c1NCC2C"]
["47312145","COCCN(C)CCCOc1ccc(N)cc1"]
["172863703","CCC1CC1(C(=O)O)[C@@H]1C[C@H](N)c2ccc(OC(F)(F)F)cc2O1"]
["170580948","O.O=C(O)c1ccc(N=C(O)c2cc[n+]([O-])cc2)cc1"]
["132843235","CCC1CN(CC(O)c2cccc(Br)c2)CC(C)O1"]
["121994958","Cn1cc(N2CCC(NC(=O)c3cc(Cl)cn3C)C2=O)cn1"]
["76942011","CC(O)=N[C@@H](C(O)=N[C@@H](Cc1cnc2ccccc2n1)C(=N)O)C(C)C"]
["116716519","CCN=C(NCCc1ccc(Cl)nc1)NCC1(CN2CCOCC2)CCCCC1.I"]
["184905860","CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCC(C(F)F)C5)C3)C(=O)C4(C)C)nc(Cl)c21"]
["182679173","CCCC=COC(C=C(c1ccccc1)C(c1ccccc1)c1ccccc1)C(OC=CCCC)ON=[N+]=[N-]"]
["MCULE-4945452837","COc1cc2c(cc1OC)CN(C(=O)c1ccc(C)c(-c3cccc(C(=O)N(C)OC)c3)c1)CC2"]
["149848359","CC=C(Cl)C(=CCC)c1nn(-c2cc(F)ncc2C)cc1CO"]
["64645047","C/C=C/C(=O)OC(C)C(O)=Nc1sccc1C(N)=O"]
["179004939","CCC(CCNC)COc1cc2nccc(Oc3ccc4c(ccn4C(O)=Nc4nccs4)c3)c2cc1C#N"]
["21668064","CCC(CC)[C@H](CNCc1cnc(-c2ccccc2)nc1)N1CCOCC1"]
["59069490","COc1ccc(SCC(O)=NC2C(=O)N3C(C(=O)O)=C(/C=C4\\CCN(Cc5cccc(O)c5)C4=O)CSC23)cc1OC"]
["141895130","COCC(O)=NC1CN(C(O)=Nc2cccc(F)c2)C1"]
["170759875","CCCC(C)(C)CC(C)(C)CC(CCC(C)CC(C)CC)C(C)(N)CC(C)(C)/C=C\\C(C)CC(C)C"]
["18570438","Cc1cccc(N=C(O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sc4ccccc4c32)c1"]
["179141547","C#C/C=C(C#N)\\C(F)=C/C"]
["MCULE-8577391658","CCc1ccccc1C(O)=Nc1c(C)cc(C)cc1-c1cnc(OC)nc1"]
["172604821","Fc1c(F)c(F)c(P(c2ccc[cH-]2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(P(c2ccc[cH-]2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Fe+2]"]
["MCULE-6981986119","Cc1nc(-c2ccc3cc(NC(=O)OC(C)(C)C)ccc3c2)cs1"]
["MCULE-5637197002","CCOc1ccc(F)c(-c2cc(OC)cc(C(=O)N(C)C3CC3)c2)c1"]
["3436789","CN(C(O)=N[C@H]1CCc2ccccc2C1)[C@@H](c1ccc(F)cc1)c1ncccn1"]
["42411103","C=CC(N)c1ccc(N)cc1Cl"]
["31745164","CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(O)=N[C@H](CO)Cc1ccccc1"]
["43898661","C1=CCC(CCC2CCCCC2)CC1"]
["183416553","Cc1ccccc1COCCN(C(O)=Nc1ncc(SCC(C)C(=O)O)s1)C1CCC(C)CC1"]
["166866295","Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc2c(=O)n([C@@H]3COCC[C@H]3O)nnc2c1C"]
["134866365","CC(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)c(F)c1"]
["124675602","Cc1cc(C#N)ccc1S(=O)(=O)N1Cc2cccc(Br)c2C1"]
["168923506","CC(C)c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccc(C(C)C)cc6)nc6ccccc65)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)cc2)cc1"]
["163500801","NC(=O)c1cc(-c2cn[nH]c2)cnc1O[C@@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1F"]
["47080569","C#CCC(O)[C@H](O)C(CC1CCCCC1)N=C(O)[C@H](CC#C)N=C(O)C(CC(=O)N(C)CCN(CC)CC)Cc1ccccc1"]
["159951297","CC1CN(c2ccccc2N=C(O)C2CCC(=O)C(C)C2)CC(C)O1"]
["MCULE-2915635300","COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)C2c2cccc(OCc3ccc(C)cc3)c2)cc1"]
["961953","CCc1cc(C(=O)NCC2CCCO2)sc1C"]
["179910567","O=[N+]([O-])CCc1ccc(COC2=CC=C=C=N2)cc1"]
["1376480","OC(/C=C/c1ccc(Cl)cc1)=NN=C(O)CCc1ccccc1"]
["MCULE-4644976630","CCCCCCCCCOc1ccc2c(c1)OC(=Cc1ccc(CC)cc1)C2=O"]
["121398414","COCCc1nnc(SCC=Cc2ccccc2)n1N"]
["102189333","CN(C)CCCN1C(S)=N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1"]
["55545530","O=C(C=Cc1cccc(Br)c1)OCC(O)=NCc1cccs1"]
["25477689","O=C(Nc1ncccn1)c1ccc(C(=O)n2cc(Cn3ccnc3)c3ccccc32)cc1"]
["83704840","Cc1ccccc1C=CC(=O)OCC(O)=NC(O)=NC1CC1"]
["17576287","COC(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1"]
["164791479","CCCN=C(O)C(C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1"]
["127520822","CCOC(=O)CCC1CCCN(C(O)=NCC2CC2c2ccccc2)C1"]
["82591109","CN(C(=O)O)C1CCN(c2cc(NCc3ccccc3)[nH]c(=N)n2)C1"]
["MCULE-2996641613","CC(=O)c1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2Cl)cc1"]
["52227328","CCOC(=O)COc1cccc(S(=O)(=O)Cl)c1C"]
["175451684","C[C@@H]1C(O)C(C(C)(C)C)CC2(C(C)(C)C)CC12"]
["77802000","CC(=NN=C(O)c1ccc(-n2cnnn2)cc1)c1ccc(C#N)cc1"]
["59065640","CN(CC(O)CN1CCNCC1)CC1CCC1"]
["113280312","CC(O)=Nc1ccc(S(=O)(=O)NCCCCN=[N+]=[N-])cc1"]
["75833031","C=C1C=C[CH+]C(C(C)(C)C)(C(C)(C)C)C1[O-]"]
["93754751","Cc1ccc(C2NC(C)C(=O)N2C2CCCSC2)cc1"]
["107133400","c1cncc(OC[C@@H]2CNCCS2)c1"]
["167415644","Cc1cccc(OC(=O)C(C)(C)C)c1-c1nc2cc(F)ccc2s1"]
["67506492","C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C(F)(F)F)C2"]
["13853483","CN(C)C1(C[NH+]=C(O)[C@H]2CSCN2C(=O)CC(C)(C)C)CCCC1"]
["123522252","CCCC(O)=NCC1CCCN(Cc2cccc(Br)c2OC)C1"]
["169326049","CC(O)=Nc1c[nH]nc1C1CCCN(c2ccnc(N(C)C)n2)C1"]
["169918592","c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4c(cn3)sc3c5ccccc5ccc43)cc2)cc1"]
["44635031","Cc1ccccc1N=C(O)C1c2ccccc2C(=O)N(C)C1c1cccs1"]
["30334007","CCC(CCc1cc(-c2ccccc2)nc2ccccc12)C(=O)O.Cl"]
["118731272","CCc1cnc(CCNC(=NC)NCc2coc(-c3ccccc3)n2)s1"]
["162385587","Cc1ncc(C(C)C(C)Br)n1C"]
["172560924","CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc(C#N)no3)cc2[N+](=O)[O-])CC1"]
["185069334","c1cc(N=Nc2n[nH]cc2-c2ccsn2)n[nH]1"]
["29633809","C[C@@H](CN(CCO)C(=O)OC(C)(C)C)NS(=O)(=O)c1cccc2cncc(Br)c12"]
["30120786","Cc1cccc(C)c1N1CCN(Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1"]
["12548927","CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(CCc2ccccc2)cc1"]
["132324324","CC(O)=Nc1nc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cs1"]
["MCULE-2171526660","COc1cc(F)cc(C(=O)N2CCc3cc(-c4cccnc4OC)ccc32)c1"]
["195700170","C=P(=CC(=O)C[C@@H](CC(=O)OC)c1cnc(OC)[nH+]c1)c1ccccc1"]
["MCULE-9455742669","CC1(CN=C(O)CC2CCOCC2)CCN(C(=O)c2n[nH]c3c2CCCCC3)CC1"]
["62517817","CC1=CC(C)(C)N(C)c2ccc(/C=N\\n3cnnc3)cc21"]
["99778903","CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N3C[C@@H]4C(CN)[C@@H]4C3)c2c1Cl"]
["MCULE-5756560615","CCCn1c(C(=O)N(CC)CCO)cc2c(NCCCOC)ncnc21"]
["60943203","Cc1c(N)[nH]c(-c2ccc(N)cc2)nc1=O"]
["188735775","CC1(CC2(CI)CCCC2)CC1"]
["160685366","O=C(Cc1ccon1)N1CC2(CCCOC2)C1"]
["164222247","BC1O[C@@]2(CI)CCOC1C2O"]
["155896191","C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3F)o2)N1"]
["125191850","CN(CC1(O)CCCC1)C(=O)CN=C(O)c1cccc(F)c1"]
["158397695","O=CCSc1nccc2ccccc12"]
["52010271","CCC(C)C(N=C(O)C(N)CCC(=N)O)C(=O)N1CCCC1C(O)=NC(Cc1ccc(O)cc1)C(=O)O"]
["66984344","Cc1ccc(F)cc1N=C(O)c1cccc(N=C(O)CN2CCC(C(O)=NC(C)C(O)=Nc3cccc(C(O)=Nc4ccccc4)c3C)CC2)c1C"]
["MCULE-3709750739","CCOc1ncccc1C(=O)N1CCc2cc(-c3cc(C(F)(F)F)nn3C)cnc21"]
["79418444","CCCCCCCCCCCCCCCCCC[n+]1cc(CC(C)c2ccccc2)n(CCCCCCCCCCCCCCCC)c1Cc1ccccc1"]
["113504345","CC(C)CN(CC1CCCN1)C(=O)C1CSC(O)=N1"]
["84148584","c1ccc2cc3c(cc2c1)CSCc1ccc2ccccc2c1CSC3"]
["76623371","COc1ccc(C=CC(=O)c2cc(C)nn2C)cc1OC"]
["158507282","N#Cc1ccc(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c(Br)c1"]
["90194471","NCCCN1CC2CC(N2)C1=O"]
["MCULE-5784429926","COc1ncc(NC(=O)c2ccnn2C)cc1-c1ccc(N2CCCC2)nc1"]
["76996240","CC(C)=CCOc1ccc(C=Cc2cc(O)cc(O)c2)cc1"]
["77827519","CN1C(=O)C(CNc2ccccc2CO)C=[N+](C)C1=O"]
["17811155","Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1"]
["57163648","CCNc1cccc(C(=O)NCc2cccnc2)n1"]
["MCULE-6510534857","CC(=O)c1cccc(N=C(O)c2cc(F)ccc2-c2ccc(C)o2)c1"]
["131077902","CC(C)COc1ncccc1C(=O)NNc1cc(F)c(F)c(F)c1"]
["67527397","CC(C)(C)N1CCN(S(=O)(=O)c2cnn(CCN)c2)CC1"]
["60609658","Cc1cc(N2C(=O)[C@@H]3[C@@H]4C[C@H](N(C(=O)O[C@@H]5C[C@H](C)CC[C@H]5C(C)C)C4)N3C2=O)cnc1C#[NH+]"]
["MCULE-9603609430","Cc1cc(-c2ccc([N+](=O)[O-])cc2)cnc1N=C(O)c1cccnc1"]
["133526807","CC(C)(C)c1cc(N=C(O)c2ccc(C(=N)O)cn2)n(Cc2ccccc2)n1"]
["97954890","COc1cc2nc(Nc3c(Cl)ccc(C)c3F)[nH]c2cc1C(O)=N[C@H]1CC[C@H](C)CC1"]
["168990029","O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCCCCN1CCOCC1)c1ccc(Br)cn21"]
["188038549","O=C(Cc1c[nH]c2ncccc12)Nc1ccc(Nc2nc(N3CCCC3)nc3nccnc23)cc1"]
["14076486","C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)[O-])C(=O)N2CCC1=CCCCC1"]
["55899173","COc1cccc(C(O)=C2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2c2cccs2)c1"]
["MCULE-1221973823","CSc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(F)cc3Cl)C2=O)c1"]
["147614600","C/C=C/C(O)=Nc1scc2c(C(=O)OCC)nn(-c3ccc(OCC)cc3)c(=O)c12"]
["92468095","CCN(Cc1cncs1)CC(C)C(=N)N"]
["82829129","CCN(C(=O)C1OCC2OC(C)(C)OC21)n1cnc2c(NCC(c3ccccc3)c3ccccc3)[nH]c(=NCCCN)nc21"]
["166240654","Cc1cccc2c1N(C(S)=Nc1cccc(C(F)(F)F)c1)CC2"]
["MCULE-3087930146","CCCOc1ccccc1N=C(O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4"]
["77325017","Cc1cccc(CN2CCC3C(O)=NC(c4ccc(C(F)(F)F)cc4)NC3C2)c1"]
["2029755","N=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1"]
["47034723","Cc1cc(/C=C2\\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1"]
["102558915","CCCN=C(O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O"]
["MCULE-9129789098","COc1cc(C(=O)N2CCN=C2C)ccc1-c1ccc(C(F)(F)F)cc1"]
["69917448","CN=c1[nH]cc(-c2cccc3ccccc23)o1"]
["172414574","CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2CCCC2)C1"]
["32828529","C/C=C\\C[C@@H](O)CCl"]
["99812359","CC(C)Nc1cncc(-c2cnc3c(c2)/C(=C2\\N=c4cccc(-c5ccncc5)c4=N2)NN3)c1"]
["95101868","COC(CC(=O)C(OC)OC)OC"]
["180642392","CC(C)[C@H](CC(=O)[C@H](C)N=C(O)[C@@H](CC(=O)c1ccnc(N2CCOCC2)c1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1"]
["23441359","CCCc1cc(O)nc(SC(C)C(=O)N2CCN(Cc3ccccc3)CC2)n1"]
["164862507","Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)C4C5c6ccccc6C(c6ccccc65)C4(C)C3=O)cc2)c1"]
["1416793","CCN(C[C@H]1CCOC1)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C"]
["6623477","COc1ccc(C(C[C@@H](C[N+](=O)[O-])c2cccs2)=C(C#N)C#N)cc1"]
["137697517","CCC(=O)N1CCC(N=C(O)N2CCCC(C(O)=NCC3CC3)C2)C1"]
["MCULE-5955665470","Nc1cc(C2CCC2)nn1-c1ccnc(F)c1"]
["MCULE-9660383622","Cc1ncncc1N=C(O)[C@@H]1C[C@H]1c1ccccc1F"]
["73164","Cc1ccc2c(c1)ncn2-c1ccc2[nH]ccc2c1"]
["96632060","CN(C)c1ccc(/C=C2\\N=C(c3ccccc3)c3cc(Cl)ccc3N=C2O)cc1"]
["MCULE-7850730366","COc1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)CC2CO)c1"]
["MCULE-4477715523","CCc1nn(C)c(C(=O)OC2CCN(c3ncc(Br)cn3)CC2)c1Cl"]
["102178162","CCCCN=C(O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O"]
["154218066","C[C@@H]1CN(S(=O)(=O)c2ccc([C@@]3(c4ccc(S(=O)(=O)N5C[C@@H](C)O[C@@H](C)C5)cc4)N=C(O)N=C3O)cc2)C[C@@H](C)O1"]
["200121696","Cc1cccc(C)c1-c1cc2nc(n1)NS(=O)(=O)c1cccc(c1)C(=O)N1CCN(C(C)(C)C)C[C@H](C1)O2.Cl"]
["MCULE-9901891439","O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2)CC1"]
["MCULE-3862214938","CCC(C(=O)Nc1ccc(Cl)cc1C)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1"]
["119287885","CC(C)n1nc(CCN)c2c1COC2"]
["194656631","N#Cc1ccc(OCc2ccc(C#Cc3ccc(C(F)(F)C4(c5ccc(F)cc5F)OC4n4cnnn4)nc3)cc2)cc1"]
["174147992","CCOC(=O)c1cccc(B(C)O)c1F"]
["29220589","CCCCN1C=NC(Cc2ccc(Cl)cc2)(OC(=O)OC)C1CC1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1"]
["160921046","Cn1ncc2c1CCCN(C(O)=NC(C1CCC1)C1CC1)C2"]
["MCULE-8254828956","COc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(CCCCCO)C2=O)cc1Cl"]
["91752239","CN(C)C1(CNC2CCc3cc(Br)ccc32)CCC1"]
["62777100","COCCNCCCOCC1CC1"]
["153167095","O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)c([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O"]
["MCULE-5239662943","COCCOc1ccc(-c2ccc3c(c2)CC(N=C(O)C2CN(C(=O)C(F)(F)F)C2)C3)cc1"]
["1239480","c1cncc(CN2CCO[C@@H](Cn3cccn3)C2)c1"]
["94837453","OC(CCC1CCCO1)c1c(F)c(F)c(F)c(F)c1F"]
["22980468","COc1ccc(N=C(O)C2=C(C)N=C(S)NC2c2cccc([N+](=O)[O-])c2)c(OC)c1"]
["102933473","CCOC(=O)C(F)(F)c1nccc(C)c1[N+](=O)[O-]"]
["MCULE-4451038915","COc1ccc(C(=O)Nc2c(C)cccc2-c2cccc(OC(C)C)c2)cc1C"]
["159854647","Cc1ccc(N=C(O)Nc2ccc(S(=O)(=O)O)cc2)c(C)c1"]
["108832503","COc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(O)=Nc2ccccc2C#N)cc1"]
["172354474","CCOc1ccc(C(C)(C)C)cc1C(=O)C(=O)c1ccccc1CC"]
["43642177","COc1ncccc1NCc1cc(C)c(C)cc1C"]
["127279935","CC1CC(C)CN(C(=O)CN2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)C1"]
["MCULE-2406509558","C=CCOc1c(Br)cc(C=CC(=O)c2ccccc2Cl)cc1OCC"]
["MCULE-8968169695","Cc1cc(NC(=O)c2cc(I)cc(Cl)c2F)ccc1I"]
["94576859","CCCCCC(NC)C1CCC(C)C(C)C1"]
["49233024","CCC(C)N(CC)c1ccc(F)cc1CC(C)N"]
["189281010","CC(=O)O[C@@H]1CC[C@@H](NC(S)=Nc2cccc3c2CCO3)[C@H]1N"]
["MCULE-3352767950","CCc1nnc2sc(CN=C(O)CCCOc3cccc(C)c3)nn12"]
["178691518","N=C(O)[C@@H](N)[C@@H](S)C(=O)O"]
["176080763","CC(C)(C)OC(=O)CCCCCCCCCCCCCCN1C(=O)CCC1=O"]
["MCULE-3318626088","COc1ccccc1C1=C(Nc2ccc(C(C)C)c(C)c2)C(=O)N(c2ccc(Nc3ccccc3)cc2)C1=O"]
["175216068","COc1ccc2c(c1)C(=O)N(C)C2.OC1=N[C@@H](c2cc3cc(CNC4CCCCC4)ccc3o2)C(O)=N1"]
["2265722","Cc1cccc2sc(N(Cc3ccccn3)C(=O)[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)nc12"]
["MCULE-5796695046","Cc1ncccc1-c1c(C(O)=Nc2cncnc2)ccc(F)c1F"]
["122627350","Cc1nc(N2CCCC2)ccc1N=C(O)c1sccc1S(=O)(=O)N(C)C"]
["154284468","OC[C@@H]1O[C@H](O[C@@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]
["60336838","C=CCC1CCCC(CN(CC)C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C"]
["MCULE-2960911025","COc1ccccc1-c1ccc(C)cc1NC(=O)c1cccnc1SC"]
["91604771","OC(I)C1CC1"]
["MCULE-1991907191","CN1CCCCC1C(O)=Nc1cnccc1-c1ccc(CC#N)cc1"]
["CSSS14880518252","CN(C)c1ccc(Cn2cc(-c3cnc4cc[nH]c4c3)nn2)cc1"]
["75932021","CCC(N)/C(C)=C(/C)CC1=CCCO1"]
["123903392","CCCCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1"]
["86745450","Cc1cc(Oc2ccc3ccccc3c2)c(CCl)cn1"]
["73874278","CC(=O)CC(=O)c1ccc(C(=N)[O])cc1"]
["55782682","CC(c1ccccc1Cl)N(C)CCCC(C)(C)C#N"]
["MCULE-9069340576","COc1cc(CC(O)=Nc2c(C)cc(F)cc2[N+](=O)[O-])c(-c2cnn(C(F)F)c2)cc1OC"]
["138396428","c1ccc(Cc2n[nH]c(=NCCCOCC3CCOCC3)s2)cc1"]
["MCULE-3181153486","CCN(CC)C(=O)c1ccc(-c2ccc(C(C(O)=Nc3cc(=O)n(C)c(=O)n3C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1"]
["174215037","CCC.COc1ccc2c(c1)N(CC(=O)OC(C)(C)C)C(C(=O)c1ccccc1)N2"]
["93128394","CNC(Cc1cncs1)c1ccc(I)cc1"]
["171130323","CC(C)OC(=N)C(=O)OC(C)C"]
["175951922","CC.CC(C)(C)O.Cc1cn2nc(-c3cccc(-c4cccnc4)c3)cc2c(-c2cc(F)c3c(c2C)CCCO3)c1CC(=O)O"]
["74335689","Cn1cc(C(=O)N2CCc3ccsc3C2Cc2ccc(Cl)nc2)c2ccccc21"]
["117661858","COc1ccc(CNCC(O)CN2CCCC2)cc1Br"]
["623372","Cc1ccc(S[C@@H](c2ccccc2)[C@@H]2CNCCO2)cc1"]
["MCULE-1067930353","COc1ccc(-c2cc(N=C(O)C3CN(S(=O)(=O)c4ccc(F)cc4)C3)cnc2OC)cn1"]
["43086661","Cc1ccnc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)OC(C)(C)C)c1"]
["5735915","COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1OC"]
["161806424","Cc1cc(=O)n(COC(=O)C(C)(C)C)c(N=CN(C)C)n1"]
["MCULE-8252944613","Clc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)n2)cc1"]
["MCULE-1267761526","COc1cc(C(O)=Nc2cc(C)c(-c3ccccc3F)cc2F)ccn1"]
["152476410","C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=N[C@H](Cc1ccccc1)C(O)=N/N=C\\c1ccc(N(C)C)cc1"]
["160784704","Cc1c(Br)ccc(O)c1N=C(O)C1C2CCCOC21"]
["139598338","CC(C)OC(=O)CCCN=C(O)NCc1ccnc(N2CCCCC2)c1"]
["9157925","COc1ccc(-c2nc(CC(O)=NCCCN3CCCCCC3=O)cs2)cc1OC"]
["MCULE-2579722849","COc1ccc(C(=O)N=c2ccc(OC)n[nH]2)c(-c2ccc(OC)c(OC)c2OC)c1"]
["3423648","COc1cccc(CN2CCO[C@@H](CN(Cc3ccco3)C(=O)c3ccccc3F)C2)c1"]
["30371533","Cc1cccc2c1N(C1CCN(S(=O)(=O)c3ccc(Cl)c4ccccc34)CC1)C(=O)OC2"]
["MCULE-8868393618","Cc1nc(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)c(C)s1"]
["176483484","CC(C)(O)O.Nc1ncnc2c1ccn2[C@H]1CC[C@@H](COc2cccc3ncccc23)O1"]
["53287430","C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)C5=C(CC(O)=C(O)C5)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]
["141976054","Cc1cc(NC(=O)c2cc(-c3ccco3)on2)ccc1N1CCOCC1"]
["65836886","CC1c2ccccc2N=CN1N(C)C"]
["68942024","COc1ccc(Cl)cc1N=C(O)C(C#N)=Cc1ccc(N2CCCCC2)o1"]
["103608907","C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(CC(=O)N(C)C)CC1"]
["150805488","OCCCN=c1nc(Nc2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)[nH]1"]
["174218634","CC(=O)OCC1CCOCC1N(O)c1c(N)cnc2ccsc12"]
["153687138","Cc1ccc(N2N=C(c3ccc(N)cc3)/C(=C\\c3c[nH]c4ccccc34)C2=O)cc1"]
["MCULE-4104902833","COc1ccc(N=C(O)c2cccc(COc3ccc(C(C)C)cc3)c2)cc1Cl"]
["1183726","C[C@H]1CCCC[C@H]1OCCN=C(O)c1csc(-c2cnn(C)c2)n1"]
["MCULE-8282133064","CCOC(=O)c1ccc(N=C(O)c2nc(C(=O)Nc3cc(C)ccc3OC)c3ccccn23)cc1"]
["MCULE-8706680079","Cc1c(C(O)=NCCC2CCCCN2C(=O)c2ccc(F)cn2)cccc1-n1cccc1"]
["50794929","COC(=O)/C=C1\\CCC2C3CC=C4C=C(N5CCCC5)CCC4(C)C3C(=O)CC12C"]
["MCULE-5417770855","CNC(=O)c1ccc(-c2ccccc2CN(C)C(=O)c2ccncc2F)cc1"]
["98675579","CCCN=C(O)Nc1cc(C)c(OC)c(CCC)c1"]
["149446188","CCCOc1ccccc1N1C(=O)C(=O)/C(=C(/O)c2cc(Cl)ccc2OC)C1c1cccc(OC(C)=O)c1"]
["186062486","CC(C)C1CC(F)(F)CN1c1ccccc1"]
["20425029","C[C@@H]1CN(CC[NH2+]C(=O)C(=O)N2c3ccccc3CC[C@@H]2C)C[C@H](C)O1"]
["31776572","CCOC(=O)N(Cc1ccccc1)[C@@H]1C[C@H](C)N(C(=O)OCCOC)c2cc(OC)c(OC)cc21"]
["125069253","Cc1cc(C#N)ccc1OC(=O)CCn1cc([N+](=O)[O-])cn1"]
["188900770","CN=C(O)NC1CCC(CC(C)(C)SC)C1"]
["140169503","Cc1cc2nnc(SCCOC(C)C)n2c(C)n1"]
["187060464","CC(C)n1c(=O)c2c3cc([Si](C)(C)C)c4ccc5ccc6c([Si](C)(C)C)cc(c2c1=O)c1c6c5c4c31"]
["198766027","C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1OCOC(=O)C(C)(C)C.CC(C)(C)C(=O)OCCl"]
["110996238","CC1(C)OB(c2c(C=O)ccc3c2OCO3)OC1(C)C"]
["170685453","CCN1CCN2c3ccc(Nc4cc(Nc5ccccc5C(O)=NC)c(C(F)(F)F)cn4)cc3OC[C@@]2(C)C1"]
["129105908","COc1cc2c(cc1OC)CN(C(=O)CNC(C)C1COc3ccccc31)CC2"]
["190206046","CC(=O)c1ccc2c(I)cc(I)c(O)c2n1"]
["121626815","Cc1cccc(C)c1N=C(O)CN=C(O)C=Cc1cc(Br)cs1"]
["28589378","CC(C)(C)OC(=O)C1(CCCCN=C(O)C(c2ccc(CN3Cc4ccccc4C3=O)cc2)C2CCCC2)CC1"]
["196648663","COc1nc([C@H](C)N=C(O)c2cc(OC(F)(F)F)cc(S(=O)(=O)C3CC3)c2)n(-c2ccc(C#N)cn2)n1"]
["74706440","[O]Cc1ccc(OCF)cc1OCF"]
["164340026","COc1cc(CCCO)ccc1NC(=O)O"]
["133415353","CC(C)(C)OC(=O)CCCCCN=C(O)N1CCOCC1C1CC1"]
["108649161","COc1c(C)cccc1-c1nc(CC#N)cs1"]
["105066610","CC(C)(C)c1ccc(C[C@](C)(N)C(=O)O)cc1"]
["187925091","C=NN(C=[N+](C)C(C)OC(=O)OCC(=O)O)C[C@](O)(c1ccc(F)cc1F)[C@@H](C)c1ncncc1F"]
["76270222","CC(C)(C)OC(O)=NC(CNc1cccc(C(=O)c2ccccc2)c1)CSC(c1ccccc1)(c1ccccc1)c1ccccc1"]
["110970472","c1ccc(N(c2ccccc2)c2cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1"]
["22859205","CN(CCCN1C(=O)c2ccccc2C1=O)Cc1cnn(C)c1"]
["44146655","CN(CC(O)=N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)Cc1ccc(Cl)cc1Cl"]
["157246654","Cc1nn(-c2ccccc2)c(Cl)c1C=NN=C(O)/C(=C/c1ccccc1)N=C(O)c1ccccc1Cl"]
["88994703","COc1ccc(OCCn2cc(CN)ccc2=O)cc1"]
["33946791","CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(=O)N(CCOc1cccc(C(=N)N)c1)C2=O"]
["MCULE-4459119731","COc1ccc2cc(-c3cc(F)c(C(O)=Nc4ccc(C#N)cc4F)cc3F)ccc2c1"]
["79571456","CC(=N)NCCC/C(F)=C/[C@](C)(N)C(=O)O"]
["62411850","CCc1ccc(OCCn2c(CCCNC(=O)c3ccc(Br)cc3)nc3ccccc32)cc1"]
["66080534","Cc1nc(CNCc2cc[nH]n2)cs1"]
["188081527","CC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1"]
["31952066","CCOC(=O)N1C[C@H](CC)[C@H](c2cccc(OCc3nc(-c4ccccc4)oc3C)c2)C1"]
["101947148","CCn1c(N2CCC(c3ccccc3)CC2)nc2c(O[C@H]3CCN(C(=O)O)C3)ncnc21"]
["95895691","CCOC1CCN(S(=O)(=O)c2ccc(C(N)=S)nc2)CC1"]
["6116669","O=C1c2ccccc2C(=O)N1CC(O)=NCC(O)=Nc1ccccc1Br"]
["119548288","CC(C)CNc1cnnc(=Nc2cccc(C#N)c2)[nH]1"]
["199632016","COc1cc(NC(=N)NC(=N)N)ccc1OCC(F)F"]
["MCULE-1739640941","COc1ncc(-c2cccc(C)c2F)cc1C(=O)Nc1ccc(C)nc1C"]
["122602401","COc1ccccc1N1CCN(C2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1"]
["81081932","CCCCN1C(=O)C(C#N)=C(C)C(=C(O)c2cc(OC)c(OC)c(OC)c2)C1=O"]
["51338423","COc1cc(C)ccc1Oc1ccc([C@H](C)N)cc1Br"]
["145926427","Cc1cccc(NS(=O)(=O)c2cc(N=C(O)C3(N)CCCC3)ccc2C)c1"]
["MCULE-6893879709","Cc1cnc(-c2cc(=O)n3nc(C)c(C(C)C)c3[nH]2)c(C)c1C"]
["160453350","Cc1nccc(N2CCN(C(O)=Nc3nc4c(s3)CCCCCC4)CC2)n1"]
["182998264","CC(C)OC(=[OH+])C[N-]SN=[N+]=[N-]"]
["190519498","COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@H](C)[C@@H](OC)c2ncc(C)cn2)nnc1-c1nc(C)cs1"]
["MCULE-1121893092","OC(CN1CCCCC1)=Nc1cc(-c2ccc(F)cc2F)cn2ccnc12"]
["182145057","CCCCCCCCCc1cccc(OOc2cccc3c2Cc2ccccc2-3)c1"]
["153092155","CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(O)=NCc2ccc(OC(F)(F)F)cc2)cc1"]
["150771204","Fc1cccnc1OC[C@@]12CCCO[C@@H]1CCNC2"]
["64539030","CC(O)C(N)CN=C(O)Nc1ccc(F)cc1F"]
["99454560","O=C(O)[C@H](Cc1ccc(OCCNC2C3CN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]32)cc1)Oc1ccc(C(F)(F)F)cc1"]
["152757233","Cc1ccc(S(=O)(=O)N(CC(O)=Nc2ccc(Br)cc2F)c2cc(Cl)ccc2C)cc1"]
["52821602","CCC(C)N=C(O)c1ccc(C)c(N=C(O)CN2CCC(C(O)=NC(C(O)=Nc3ccc(Cl)c(C(O)=Nc4ccccc4C)c3)C(C)C)CC2)c1"]
["163471206","CC1CN(C(=O)CN2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)C(CN2CCNC[C@H]2C)CN1C(=O)OC(C)(C)C"]
["21565502","CC(C)c1noc(CC[NH+]=C(O)NCc2ccc[nH+]c2N2CCN(C)CC2)n1"]
["MCULE-8006169218","COc1ncccc1-c1ccc(C(O)=Nc2cncnc2)c(C(F)(F)F)c1"]
["170931817","COC1NCNC(C(F)(F)F)C1C1NCC2C(N1)N(CC1CCC(N3NC(C(F)(F)F)CC3OC)CC1)C(=N)N2CC(F)(F)F"]
["143923758","CCN(CC(O)=Nc1c(F)cccc1F)Cc1cn(-c2ccccc2)nc1C"]
["14424118","CC(C)C(=O)Oc1ccc(Cl)cc1Cl"]
["MCULE-7757333950","Cc1cnc(N=C(O)c2ccncn2)c(-c2cc(F)ccc2C#N)c1"]
["51970249","CC(C)(C)[Si](C)(C)OCCC1C(C(O)[Si](C)(C)C(C)(C)C)CC1(O)S(C)(=O)=O"]
["102872296","OC(=N[C@H]1CCC[C@@H]2OCC[C@@H]12)c1cccc(OCc2cccnc2)c1"]
["119825870","CCCNCc1c(C)nn(C)c1N1CCN(Cc2ccccc2)CC1"]
["96284604","CCN(CCO)c1cc(C(=O)O)c(Cl)cn1"]
["50967814","CCCOc1ccc(NC(S)=Nc2ccccc2C)cc1"]
["MCULE-1493606044","Cc1ccc(C)c(CC(=O)Nc2ccc(C(=O)CCN3CCN(c4cccc(Cl)c4)CC3)cc2)c1"]
["48993244","COc1cccc(OCCn2c(CCCN=C(O)C3CC3)nc3ccccc32)c1"]
["53066717","CNS(=O)(=O)c1cccc(C(=O)OCc2nnc(-c3ccccc3Br)o2)c1"]
["112388948","O=C(O)c1ncncc1-c1ccc(Cl)cc1"]
["65454068","OC(=N/C=C/N=C(O)Nc1ccc(I)cc1)Nc1ccc(I)cc1"]
["155810807","Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCN2CCN(c3ccccn3)CC2)cc1"]
["141369705","Cc1nc(Cc2noc(-c3cn(-c4ccc(F)cc4C)nn3)n2)no1"]
["169994865","CCCCNc1nc(=N)[nH]c2cn(Cc3c(OC)cc(CN4CCN(C(=O)C5CCC(CN6C(=O)CC(SC[C@@H](C)C(=O)O)C6=O)CC5)CC4)cc3OC)nc12"]
["MCULE-2814912829","CCCN(CCC)C(=O)CN(C(CC(C)C)C(O)=Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)cc1"]
["199233881","CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ncc(-c4cnc(N5CCC(n6cc7c(n6)CCN(c6ccc(N)cc6)C7)CC5)nc4)cc23)c1F"]
["116297955","O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3ccccc3c3ncccc23)cc1"]
["147525697","C=CCCC(=O)N1CC(Oc2nccs2)CC1C(=O)OC"]
["144705022","Clc1ccc2nnc(C3CCCC3)n2c1"]
["67678865","CCOC(=O)C(C)(CCCSCCO)NC"]
["172391641","FC(F)(F)Oc1ccc2c(c1)O[C@@H]1[C@H]2NCCC12CC2"]
["MCULE-4160393753","COc1ccc(C=Nn2c(COc3cccc(C)c3C)nnc2SCc2cccc(C)c2)cc1O"]
["187697540","CCCC(C)(O)/C=C/C1CC2C=CC1C2"]
["165208084","CCOc1ccc(-n2nnc(C(=O)N3CCC4(CCCCN=C(O)c5ccccc5OCCN(C)C4=O)CC3)c2C)cc1"]
["174763264","CN=C(O)CCOC1C(OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1N1C=CC(O)=NC1O"]
["107382712","CCCC[C@H](N=C(O)c1nccnc1N)c1ccc(OC)cc1"]
["88642218","CC(C)NCc1noc(CC2CCSCC2)n1"]
["104120820","C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N(C)C)cc1"]
["15151078","Cc1ccc(/C=C2\\SC(=O)N(CCN=C(O)/C=C/c3ccccc3[N+](=O)[O-])C2=O)cc1"]
["187419057","Cc1ccncc1N=C(O)c1cccc(C(F)(F)F)c1"]
["179316595","NCCC[C@@H]1N[C@H](CN=C(O)c2ccc(Cl)c(Cl)c2)CCN(CC(C2=CCCC=C2)c2ccccc2)C1=O"]
["MCULE-8046987810","CN(CCO)c1cc(-c2cc3cnccc3c(NCc3ccc(C(=O)O)cc3)n2)ccn1"]
["70281180","Cl.Cl.NCCn1cccc2ccnc1-2"]
["34088792","O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(c3ccccc3)CCCCCC1)C2)N=c1cccn[n-]1.O=S(=O)(O)c1ccc2ccccc2c1O"]
["185290110","CS(=O)(=O)CCn1c(CN2CC3(CC3)c3cnccc32)cc2cc(Cl)ccc21"]
["94283342","CCC1CN(CC(C)(N)c2ccccc2)CCS1"]
["MCULE-1680903757","COc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCC(=N)O)c(OC)c1"]
["102861862","Cc1ccc2sc(-c3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@@H]4C=C[C@@H]5C4)cc3)nc2c1"]
["160025364","CCCCCCCC=CC(=O)O.O=C(O)C=CCCCCCCCO"]
["199297973","Cc1cc(C(=O)N2CCOCC2)nnc1N1CCc2ncc(N3CCCn4nccc43)cc2C1"]
["144807047","CC(C)(C)CC(COc1cccc(C(F)(F)F)c1)C(=O)O"]
["131088012","CN(Cc1ccc(Cl)nc1)C(=O)CCOC1CCOCC1"]
["MCULE-1905019850","COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)Oc2cccc(C(C)C)c2)CC1"]
["MCULE-2236701621","CCOc1cccc(F)c1-c1ccc(CCCC(O)=Nc2nc(OC)cc(OC)n2)cc1"]
["172522526","CC(C)(C)C=C1C=Cc2ccc3c(oc4c(-c5cc(CC(C)(C)C)ccn5)[c-]ccc43)c2[N-]1.Cc1cnc(C2=C=CC(C)C(c3ccccc3)=C2)cc1C.[Ir]"]
["97155212","CC1(C)C=CC2=C(C(=O)OC2c2ccccc2)C1c1ccccc1"]
["170649688","Cc1nc(N2CCC3(CC2)Cc2ccc(S)cc2[C@H]3N)cc(=O)n1-c1cccc(Cl)c1Cl"]
["199169655","COC(O)=NCCOC(c1cc(C)ccc1C)C1CCCN(C(O)=NCC(N)CC2CCCOC2)C1"]
["175944298","Cc1c(/N=C(/Oc2cccc(OC(F)(F)F)c2)C(C)C)n(C)c(=O)n(C)c1=O"]
["199282862","COc1nc(C(F)(F)F)ncc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1"]
["MCULE-7272772430","COCc1ccc(-c2ccc3c(c2)CC(N=C(O)c2cc4ccccc4n2C)C3)cc1"]
["134075282","OC(=NC1CCCOc2cc(Cl)ccc21)c1occc1Br"]
["199506129","O=C(O)c1cc(Cl)cc(-c2cc(C(F)(F)F)ccc2Cl)c1"]
["MCULE-4912564226","CCCOC1CCCN(C(=O)c2cc(F)ccc2-c2ccc(N=C(C)O)cc2)C1"]
["149151617","O=C1C(O)=C(c2ccc(Cl)cc2)C(c2cccnc2)N1c1cc(Cl)cc(Cl)c1"]
["200064130","CC1=[C-]C(c2cc(C(C)C)c([Si](C)(C)C)cn2)=C=CC1c1ccccc1.Cc1cc(-c2[c-]ccc3c2oc2ccc(-c4cccc5c4oc4ccccc45)cc23)ncc1-c1ccccc1.[Ir]"]
["137062265","CCOc1cc2c(cc1CN=C(O)C(NC1CCOCC1)C(C)C)OC(C)C2"]
["174262455","C=CCc1ccc2sc(C(=O)NN)cc2c1"]
["121120614","CCC(Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCCC1"]
["21474132","C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2)C(O)=[NH+]Cc1ccc(F)cc1"]
["100081785","COC1CCN(c2ccc(N=C(O)c3n[nH]c4cc(F)ccc34)cc2)C1"]
["162426564","CC(CN)Cc1nc(=N)[nH]c(=N)[nH]1"]
["MCULE-7784166115","CCCC(=O)N1CCc2cc(-c3ccnn3C3CCCCO3)cnc21"]
["131599609","CN(CC(O)=NC1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1C#N"]
["69915097","CC(=O)CN1C(=O)C(NC(C)CC(O)c2ccccc2)CCc2ccccc21"]
["88626766","CC(C)CN=C(O)CNCCN=C(O)N(C)C"]
["160018465","Cc1nnc(CN=C(O)c2cnn(C)c2C2CC2)n1C1CC1"]
["23582556","C=CCNC(=N)NCc1ccc(S(=O)(=O)N2CCOCC2)s1"]
["56778847","O=[N+]([O-])c1cccc(C(O)Br)c1"]
["70175599","C=C(CC)C(=O)c1ccc(OCC(=O)Oc2ccc3c4c2OC2C(O)C=CC5C(C3)N(C)CCC452)c(Cl)c1Cl"]
["77992918","O=C1N=CN=C2C1=[N+]1CCC2CC1.[Cl-]"]
["102793236","CCOc1ccc(N2C(=O)[C@@H]3[C@@H](SC(N)=C4C(=O)Oc5cc(O)ccc5[C@H]43)C2=O)cc1"]
["MCULE-3467957302","OC(=NOC1CCCCO1)c1ccccc1-c1[nH]nc2ncccc12"]
["150879896","C[C@H](N=C(O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1"]
["77197073","O=C(c1cc(-c2ccccn2)[nH]n1)N(Cc1ccsc1)CC1CCCO1"]
["124233007","CCCC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1"]
["68255830","O=S(=O)(c1ccc(Br)c(C(O)=Nc2nc3c(s2)CCC3)c1)N1CCCCC1"]
["5671215","CCCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)c1ccc(Cl)cc1"]
["127831684","CCC(CN(CC)C(=O)Nc1ccnn1CC1CCOC1)c1ccccc1"]
["182673186","NNNc1c[nH]c2ccc(F)cc12"]
["24519803","Cc1nn(Cc2ccccc2)c(C)c1CN1CC2C[C@@H](O)CN2C[C@H]1C"]
["151543956","Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)cc1"]
["183675750","N=c1c2ccc(Cl)cc2[nH]c2ccc(-c3cc4ccccc4[nH]3)cc12"]
["46917740","CC(C(=O)N1CCCC1)N1CCN(C2CCCCC2)CC1"]
["30186519","CC(C)NC(=O)c1ccc(Nc2ncc3cc(C4CC4)c(OC4CCN(C(C)C)CC4)cc3n2)cc1"]
["85260156","CCNC(c1ccc(F)c(Br)c1)C(C)C(C)C"]
["164733103","COc1ccc2c(c1)c1cc(OC)ccc1n2-c1c2nc(c(-n3c4ccc(OC)cc4c4cc(OC)ccc43)c3ccc([nH]3)c(-n3c4ccc(OC)cc4c4cc(OC)ccc43)c3nc(c(-n4c5ccc(OC)cc5c5cc(OC)ccc54)c4ccc1[nH]4)C=C3)C=C2"]
["60569549","CC(C1CC1)N(CC(F)(F)F)C(=O)CSC1=NN/C(=C2\\C=Nc3ccccc32)O1"]
["132438313","CCCCC(Sc1nnnn1-c1c(C)cccc1C)C(=O)OC"]
["118817290","CN=C(NCCNc1nccc(C(F)(F)F)n1)N1CCN(CC(=O)N2CCCC2)CC1"]
["MCULE-8763958447","CN(CCCCCl)C(=O)Cn1c(=O)oc2ccccc21"]
["160352583","Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC2(CN=C(O)C2)C1"]
["122095126","O=C1CC(CC(=O)N2CCCCCC2c2ccccc2)CO1"]
["112109702","CCC(CC)(CO)CN=C(O)c1ccccc1C"]
["MCULE-6585661505","COc1ccccc1-c1cc(C(F)(F)F)cnc1N=C(O)c1cncn1C"]
["94988201","Cc1cccc(C(O)=NC(C)C(O)=NC(C)C)c1O"]
["95981391","COc1ccccc1C(O)CC1CCOc2ccccc21"]
["176302575","N#Cc1n[nH]c2c1C1CC[C@H]1C2(F)F"]
["11561347","CC(C)(CNC(=O)c1ccc(CN2CCCC2=O)cc1)c1cccc(Cl)c1"]
["MCULE-5020163378","COc1nccc(=NC(=O)c2cc(-c3cccc(CN4CCN(C)CC4)c3)cc([N+](=O)[O-])c2C)[nH]1"]
["31303560","CC(C)C1SC(c2ccc(N3CC(CN)OC3=O)cc2F)=NN=C1O"]
["MCULE-9766606518","Cc1nc(N=C(O)c2cncs2)ncc1-c1cc(F)ccc1F"]
["26119444","CCCCCCCCC1CC=C(C(C)CCC(=O)Oc2ccccc2)CC1"]
["172673053","N=c1cc(-c2cc3n(c(=O)c2)C[C@H]2C[C@@H]3CN(C(=O)c3cccnc3)C2)nc[nH]1"]
["2431503","Cc1nnsc1C(O)=NCc1ccc2c(c1)OCO2"]
["102811687","Cc1noc(/C=C\\c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3ccno3)cc2)C1"]
["175587048","NCc1ccccc1F.[H-].[Na+]"]
["18013326","O=C1N(C[C@@H](O)COc2ccccc2F)C(O)=NC12CCCCC2"]
["4742224","C[NH+]=c1[nH]c(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc2ccccc12"]
["23126818","COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)C2c2cc(OC)ccc2OC)cc1"]
["62875002","CC[C@H](C)[C@H](CC(C)=O)C(=O)N(CO)[C@H](C[C@@H](OC(C)=O)c1nc(C(O)=N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C"]
["160872197","CC1(NC(O)=NCCN2CCCOCC2)CCOC1C1CC1"]
["42630317","O=S1(=O)CCCCN1c1cc(C(O)=NCCn2ccc3ccc(F)cc32)ccc1Cl"]
["MCULE-7870691124","CCN(CC)CCCNC1=C(c2ccccc2Cl)C(=O)N(CCc2cnc[nH]2)C1=O"]
["139945192","Cn1nc(CC(C)(C)C)cc1N=C(O)C(=O)NCC(C)(C)CCO"]
["125824634","Cn1cccc1CN=c1[nH]nc(Cc2cccc(F)c2)s1"]
["MCULE-5023973646","COc1c(C)cc(-c2c(F)cccc2N=C(O)c2cc(C)ccc2F)cc1C"]
["115792325","Cc1ccc(CCN=C(O)N/C=C/c2ccccc2C)cc1"]
["196434557","CCC1CN(C2CNCC2O)C1"]
["179577123","C=C/C=C\\C1(COC(=C)C(F)(F)F)Cc2n(c(-c3ccccc3)c(C)[n+]2CC)C1"]
["105539377","COc1cccc(C(=O)C2CCN(C(=O)C(C)C)CC2)c1"]
["34269302","COC(O)=N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(C(O)=Nc4ccc(CN5CCS(=O)(=O)CC5)cc4)cc3)c2)[nH]1)C(C)(C)C"]
["69542467","Cc1ccc(O[C@@H](C)CC(=O)O)cc1"]
["2491685","COC(=O)C1=CCC[C@@H]2N(C)[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@]12C(=O)OC"]
["185277229","C=C(C)C(=O)C1CCCC2(C)OC12"]
["4101065","CC1=C[C@@H]([C@H]2NN[C@H](S)N2/N=C/c2cccc(OCc3ccccc3)c2)N=N1"]
["144532742","C1CCC(CN2CCCC(N3CCCC3)CC2)C1"]
["92582358","Cn1ccnc1CCC(=O)C1(N)CCCCC1"]
["183561773","CCCCC=CCCCCCCCCCC(OCC)(OCC)OCC"]
["88598473","O=S(=O)(CBr)Nc1ccc(F)c(F)c1F"]
["MCULE-1712808300","COc1cc(F)c(-c2cccc3c2CCN(C(=O)c2c(C)noc2C)C3)c(F)c1"]
["43679132","O=C(CSc1ccccc1Br)N1CCN=C1O"]
["110847681","CCCCCCC/C=C\\CCCCCCCCCOC(CCOCCCCCCC/C=C\\CCCCCCC(=O)OC)CN(C)C"]
["186960203","Cc1nc(SCc2nc(=N)c(C#N)c[nH]2)c2ccccc2n1"]
["195805712","C=C/C(C)=C\\C=C(/N)c1noc(CO)n1"]
["124480724","CC(C)(C)CC(NC(O)=NCC1CCC(C(=N)O)O1)c1ccc(Cl)cc1"]
["MCULE-7947523269","COCc1ccccc1-c1cnc(N=C(O)c2cccc(C)c2F)nc1C(F)(F)F"]
["172885247","Br.BrC1=CCN2C=CC=CC2=C1"]
["3301586","C=CCn1c(SCC(O)=Nc2ccccc2N=C(C)O)nnc1C1CC1"]
["174956572","C/C=C\\S/C(=C/Cl)C(O)=NC(C=O)Cc1ccc(OCCc2cccc(NC)n2)cn1.CO"]
["MCULE-1392225763","COc1nc(-c2cc(C(C)=O)ccc2F)cnc1N=C(O)C1CC(=O)N(Cc2ccccc2)C1"]
["176094543","COCCN(C(=O)c1occc(=O)c1OCc1ccccc1)C1(C[NH-])CCOC1.[Tl+]"]
["133354356","Cc1nnnn1-c1cccc(N=C(O)NC2C3CCOC3C2(C)C)c1"]
["64584307","FC(F)(F)CN1CCN(c2ccc(Cl)nn2)CC1"]
["101619664","OCC1CCC(O)C(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O1"]
["176317789","CCC(CC)n1cc(-c2nc(/C(C=NCCNC3CC(CO)C3)=C/N)cn3nccc23)cn1"]
["64877194","Cc1ccccc1C1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)c2cccc(F)c2)C(C)C1"]
["55300758","COc1cc(OC)c(NC(O)=NCCCCc2ccccc2)cc1Cl"]
["81419842","CC1=CSNC1=C1C=C(CN2CCC3(CCS(O)(O)N3c3cnccn3)CC2C)C=CC1=O"]
["MCULE-8562109601","CCCN(CCC)C(=O)COc1cn(Cc2ccncc2)c(CSc2nnnn2C)cc1=O"]
["73636065","CC(C)(C)c1ccc2c(ccn3c2nc2ccc4c(c23)C(C)(C)CC4(C)C)n1"]
["19058104","COc1ccc(OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1"]
["196000291","CC1C=CCC([N+]2(C)C(=O)C=CC2=O)=CC1"]
["123707630","COc1ccc(C)cc1-n1ccc(C(=O)N(C)c2ccccc2F)n1"]
["160720119","Cc1sc2ncnc(N3CCC(C(=O)N4C5COCC4C5)CC3)c2c1C"]
["99646634","CO[C@@H]1CN([C@H]2C[C@@H](COC3CCC(C=O)CC3)N(C(=O)Cc3cc(C)c(NC(=O)c4cn(C)c5ccccc45)cc3C)C2)C[C@H]1OC"]
["51540559","CCOc1ccc(Nc2ncnc(Nc3ccc(S(=O)(=O)N(CC)CC)cc3)c2[N+](=O)[O-])cc1"]
["43330133","COc1ccc(CN(C)CC(O)=[NH+][C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1"]
["169220751","O=C(O)CC1SC(=N/N=C\\c2cc(OC(F)(F)F)ccc2[N+](=O)[O-])N=C1O"]
["133637481","CS(=O)(=O)CC(N=C(O)CSc1ccncc1)c1ccccc1"]
["33958796","COc1cc2c(c3oc4cc(C#N)ccc4c(=O)c13)[C@@H](O)[C@@H](O)C(C)(C)O2"]
["145063242","Cc1cc(Br)c(C)c(O)c1C1CC(CN)CN1C"]
["MCULE-6385865206","COc1ncc(-c2cc(F)c(F)c(F)c2N=C(O)C2CCCCN2C(=O)OC(C)(C)C)cn1"]
["180228601","C=CCCCC1CCC(C)(C)CC1"]
["6490163","CCCC[NH+](C[C@H](O)COc1c(C)ccc(C)c1C)[C@@H]1CCS(=O)(=O)C1"]
["82574653","CC1=NC(=CNN2CCC(N(C)C(=O)c3ccc(Cl)cc3)C(c3ccc(Cl)c(Cl)c3)C2)C=N1"]
["28222932","Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1"]
["174869940","C=Cc1c(C=C)c(-c2ccccc2)c2c(c1-c1ccccc1)-c1cccc3c(C4=CCC=C(c5cc(-c6ccccc6)c6c(c5-c5ccccc5)-c5cccc7cccc-6c57)C=C4)ccc-2c13"]
["91018871","O=C1c2ccccc2-c2nc3ccc(Oc4ccc5nc6n(c5c4)C(=O)c4ccccc4-6)cc3n21"]
["46591507","CCCCCCOc1ccc(C=NN=C(O)COc2ccccc2[N+](=O)[O-])cc1OC"]
["60623605","COc1ccccc1CC(N)Cc1nc(C)cs1"]
["84255138","COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1"]
["12253026","OC(=Nc1ccc(Cc2nc3ccccc3[nH]2)cc1)c1cccs1"]
["177908020","C=CC(O)=Nc1cc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncc(C(O)=NCc4cccc(C(=N)O)c4)cc23)ccc1C"]
["115383715","CN=C(S)NCc1cc2ccccc2o1"]
["27588919","CC(=O)OC1(C(C)N)CN(C(=O)c2cn3ccnc3c(Cl)c2Nc2ccc(I)cc2F)C1"]
["124938208","Cc1cccc2c1CCN2C(O)=NCCN1CCN(c2ncccn2)CC1"]
["81972063","c1ccc(COc2cccc(CN3CCC(c4ccncc4)CC3)c2)nc1"]
["171372864","CCCCCCCCCCCCCCCCCC(CCCCCCCCCC)OC(=O)C1(C)CCCCC1C(=O)O"]
["191021755","NS(=O)(=O)c1ccc(-c2cc(N=C(O)C3(c4ccc5c(c4)OCO5)CC3)ccc2OC(F)(F)F)cc1.[HH].[HH]"]
["68319671","CCC(O)=Nc1ccc(N=C(O)CN=C(O)C2CCN(C(C)C(=O)Nc3ccc(C(=O)NC(C)C)cc3C)CC2)cc1Cl"]
["CSSS09619091284","Cc1ccc(OCC(=O)N2CC3(CCNCC3)c3ccccc32)c(F)c1"]
["122067859","N#CCOc1ccc(CC(=O)N2CCCC2CC(O)c2cccs2)cc1"]
["92497633","CCN=C(O)C(C)n1cncc1-c1ccc(=N)[nH]c1"]
["MCULE-7482574919","CCOCCCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2ccccc2[N+](=O)[O-])C1=O"]
["197074256","O=COCCCCCCCCCCCC(O)CCNCCCCN1C2C=CC=CC2C2C=CC=CC21"]
["46183815","C=CCO[C@@]12Oc3ccc(Oc4ccc(SC)cc4)cc3[C@H]3[C@H](CCCCO)[C@@H](CCCCO)C=C(C(=NOC4CCCCO4)C[C@@H]1N(CCOCCO)C(=O)c1ccc(C#N)cc1)[C@H]32"]
["149419917","Cc1cc(C)c(C#N)c(SC2=C(N3CCc4ccccc43)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)n1"]
["1465247","COc1ccc(C)cc1N[C@H]1CCCN(C(=O)Cc2ccccc2)C1"]
["163568121","O=S(=O)(NC(c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)N1CCCCC1"]
["169893464","C=C/C=C\\c1c(C=C)c(C=C)c(/C=C\\C=C)c(/C=C\\C)c1/C=C\\C"]
["7431699","CCc1c(-c2ccncc2)n[nH]c1N=C(O)c1cc(C2CC2)[nH]n1"]
["131001580","CN=c1[nH]cc(C(=O)N2CC(C)OC(c3ccccc3)C2)s1"]
["123015938","Cc1ccccc1C(O)=NC1CCN(C(=O)c2cn(C)nc2C)CC1"]
["2429966","COC(=O)c1cc(OC)c(OC)c(OC)c1N=C(O)c1cc(Cl)c(OCCC(C)C)c(OC)c1"]
["2462600","C[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2n1C"]
["163235579","CNCCc1ccc2ccsc2c1C"]
["26842366","CCCCCCCCNC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"]
["12729407","COc1cccc(O[C@H](C)C(O)=NCCN2C(=O)CSC2=O)c1"]
["145392826","N=C(O)c1c(C(F)(F)F)cc(C(F)F)nc1CBr"]
["77665358","C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(CCCn3ccnc3)C2c2ccc(Cl)cc2)cc1"]
["83397058","O=C(OC1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1"]
["133358236","CCN1CCCC1CN=C(O)NC1CCCC1O"]
["32108719","Cc1nnnn1C(CO)Cc1ccco1"]
["156922006","Cc1c([C@@H](C)N=C(O)N2CCC(C(F)(F)F)CC2)cnn1C"]
["92185190","CC(N=C(O)Nc1ccc(OCC(=O)O)cc1)C(C)(C)C"]
["54363389","C[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(-c2ccncc2)s1"]
["193668591","CC(=O)C(O)(C(=O)O)C(O)(C(C)=O)C(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.OCC(O)CO"]
["MCULE-2347257591","Cc1cc(O)ccc1Cn1nc(C)c(I)c1C(F)F"]
["91588766","CC(Oc1ncnc(C(F)(F)F)c1Br)C(=O)O"]
["126178694","CCSc1cccc(NC(=O)C(=O)N(C)Cc2ccc(F)c(F)c2)c1"]
["5252651","COc1ccccc1N=C([O-])CSc1ncc(S(=O)(=O)c2ccc(C)cc2)c(O)n1"]
["49091771","O=S(=O)(c1ccc(C(CC2CCOCC2)C(O)=Nc2nccs2)cc1)N1CCCOCC1"]
["MCULE-2840594165","COc1ccc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccccc5OC)CC4)cc3)ccc2c1"]
["49290438","C=C1CC(O)(C(F)(F)F)N(C(=O)c2cc(C)nn2C)N1"]
["183572886","COC(CCN=[N+]=[N-])(Cc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F"]
["90010316","C=CCN(CC=C)C(=O)c1c[nH]c(=O)cn1"]
["177755759","NCCCCC1N=C(O)C(CCCCN)N=C(O)C(CCCCN)N=C(O)C(CCCCN)N=C(O)C(CCCCN)N=C(O)C(CCCCN)N=C(O)C(CCCCN)N=C1O"]
["46387332","O=C(O)c1ccccc1-c1nnc(O)nc1O"]
["107193764","Cc1nc2cc(-c3cc(CN)nn3C(C)C)ccc2n1C"]
["130496389","OC(=NCc1cccc(Cl)c1)N1CCC(N2CCOCC2)C1"]
["133732795","Cc1ccc(NN=C(O)Cc2ccn(C)n2)cc1"]
["24333999","CC(Sc1nnc(-c2cccs2)o1)C(O)=Nc1cccc(C(F)(F)F)c1"]
["MCULE-9883503165","COCCc1nc(Nc2cc([N+](=O)[O-])ccc2OC)cc(N2CCc3ccccc3C2C(C)C)n1"]
["104679986","CCC[C@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-]"]
["101986896","Cc1cccc(-c2noc(CN=C(O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)n2)c1"]
["MCULE-4500197313","N#Cc1cc(NC(=O)Cc2cc(F)cc(F)c2)ccc1-c1ccnc(F)c1"]
["118764663","CN=C(NCC(=O)OC(C)(C)C)NC1CCCN(c2ccc(C)cc2)C1"]
["5099916","CCN(C(=O)c1cc(S(=O)(=O)NC)ccc1F)[C@@H]1CCCC[C@H]1C"]
["48619424","CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(OC(F)F)cc1"]
["16835344","COc1ccc(-c2c(C(=O)[O-])cc(OC)c(OC)c2OC)cc1"]
["82688126","CC(C)(C)OC(=O)C(Oc1cncc(CCCO)c1)C1CCCN1"]
["62147133","CC(C)c1ccccc1OCC(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1"]
["125785342","COCCOc1ccc(C(=O)Nc2ccc(C)c(OC)c2C)cc1"]
["17347556","COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(Cl)cc2)cc1OC"]
["108364127","CC(C)[C@@H]1CO[C@@]2(CCCN(Cc3nccn3C)C2)C1"]
["145655493","CCC(C)(C)C(=O)OCCOC(=O)C(C)(OC(=O)C(C)(C)C)C(F)(F)F"]
["MCULE-9765056276","CCCOc1cn(Cc2ccccc2C)c(CN2CCC3(CC2)OCCO3)cc1=O"]
["62768665","CN1CCC(N(C)c2cc(Cl)ccc2C(=N)S)CC1"]
["102176946","O=C(NCC(=O)N(C(=O)[C@H]1CCCNC1)C1CC1)c1cccs1"]
["177467365","CCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)c1ccc(OC)cc1C)C2"]
["165171565","CC(=O)N1CC[C@H](N2CCC(c3nn(C)c4ccc(-c5nc6cc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c7ccc(Cl)cc7)c6s5)nc34)CC2)C1"]
["80181463","CCN1C(=O)C2C(c3ccc(C)cc3)NC3(CCCN(Cc4ccc(C)cc4)C3=O)C2C1=O.O=C(O)C(F)(F)F"]
["172454891","CCS(=O)(=O)c1ccc(N)cc1[C@H]1[C@H](C(=O)O)CCN1C(=O)O"]
["174356715","CCCN(CC)C/C=C(\\Cc1ccc(Cl)cc1)c1ccccc1"]
["90331891","C1=CCC(C=NNc2nc3ccccc3s2)CC1"]
["153268341","CCn1cc([C@@H](c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21"]
["195924707","Clc1cncc2nccn12.Nc1cncc(Cl)n1"]
["154374","COC(=O)C1C(=O)C(C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1"]
["75034379","CCC[C@@H](CN=C([O-])c1nc(Cl)c(N)[nH]c1=N)[N+](C)(C)CCCc1ccc(OC[C@H](O)CO)cc1.O=C(O)C(F)(F)F"]
["193356581","N#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCc2ccc3ccccc3c2)[nH]c1=N.O=C(O)C(F)(F)F"]
["135068269","CCC1CC(C(O)=NCC(C)(C)N=C(O)OC(C)(C)C)CCO1"]
["185003041","CC(C)(C)c1cc2[n+](c(-c3cc(C(C)(C)C)cc4[n+]3POc3ccccc3-4)c1)CCOc1ccccc1-2"]
["83735125","Cc1ccc(C)c(OCC(O)=NN=Cc2ccc(N3CCCCC3)cc2)c1"]
["1305511","CCCc1nnnn1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1"]
["169061726","Cc1ccc(C)n1-c1ccc(-c2nc(=S)[nH]c3ncnc(O)c23)cc1"]
["1411704","CCCN=C(O)CSc1nnc(SCc2nc(-c3cc(Br)cs3)no2)s1"]
["172499296","O=C(N1CCC(O)C1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(C3CC3)[nH]n2)C1"]
["23597348","COc1ccccc1NCc1nnc(SCC(O)=N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)n1-c1ccc(Cl)cc1Cl"]
["130146175","COCCN1CCN(C(=O)CCc2cc(Br)ccc2OC)CC1C"]
["56019222","COC(=O)CCCCN1C(=O)[C@@](O)([C@@H](C)/C=C/CCn2cc(C(CO)c3ccccc3)nn2)c2cc(N3CCC3=O)ccc21"]
["180896997","C1=CC2=C(c3ccccc3)c3ccc(-c4cc(-c5cc6ccccc6c6c5C=CCC6)nc(-c5cccc(-c6nc7c(s6)NCC=C7)c5)n4)cc3C(c3ccccc3)C2C=C1"]
["198661991","C#CCN1CCO[C@@H](CCCC(C)C)C1.CC(C)C"]
["MCULE-7676291380","CCOc1ccc(-c2cccc(C(=O)N3CCCC(=O)C3)c2)c(F)c1"]
["69364859","OC(=NCCC1=CCCCC1)Nc1cc(C(F)(F)F)cnc1O"]
["141716480","CC(C(=O)Nc1ccc(CC#N)cc1)N1CCCN(C(=O)c2ccccc2)CC1"]
["150494364","NNCCc1ccc(N(Cc2ccccc2)C(=O)CCCc2ccccc2)cc1.O=C(O)C(=O)O"]
["138190763","COc1ccc(S(=O)(=O)NCc2ccncc2)c(C)c1F"]
["113148447","CCC(CC)(CBr)CN=C(O)c1cc(Br)sc1Br"]
["166057956","CN(Cc1cccc2ccccc12)C(=O)c1cn(Cc2ccccc2)nn1"]
["145774636","N#CCCCOc1cccc(CNCc2cccc(F)c2)c1"]
["48355402","N=C(N)N=C(O)c1cccc(-n2cccc2/C=C/C(=O)O)c1"]
["197375628","Cc1c(C(CN)CO)cnn1C"]
["156787923","CC(C)c1nc2n(n1)C[C@@H](N=C(O)N1CCC[C@H]1c1ccc3c(c1)OCO3)CC2"]
["31578372","CC(C)Oc1cc2c(cc1C1=CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C"]
["142367132","Cc1ccc(-c2nc(CCN=C(O)N3CCCC(c4cc[nH]n4)C3)co2)cc1"]
["12314351","CC[NH+]=C(O)CN1CCSCC1"]
["196889400","CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCCCC"]
["165347442","CCC(Oc1ccc2ccccc2c1)C(O)=Nc1nnc(-c2ccccc2)s1"]
["16323516","O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(Cc2ccc(Cl)s2)CC1"]
["465792","COCCOc1cc([N+](=O)[O-])ccc1COC(O)=Nc1cc2c(c3ccccc13)C(CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1"]
["63616589","CC(N)C(=O)N1CCCC(C(C)(C)C)CC1"]
["49296359","CN(Cc1csc(C(=O)NN)n1)c1ccc(C#N)cc1"]
["100943561","BrC1(Br)CC12CC21CCCCC1"]
["MCULE-6484998413","COc1c(F)c(F)cc(C(=O)Nc2nc(C)ccc2-c2ccc(F)cc2C)c1F"]
["MCULE-3152508384","COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(CC(C)C)C(O)=Nc2cccc(C)c2)c(OC)c1"]
["126999361","CCC(CC1CCCCC1)C(O)=NCCc1nnc2n1CCCC2"]
["171628955","CCOC(=O)C(OC(=O)Cc1ccc(N2CCC2)cc1)c1ccc(N2CCC2)cc1"]
["42760317","COCCn1nc(C(O)=Nc2ccc(N3CCCC3)cc2)ccc1=O"]
["84131852","Cc1cc2ccccc2c(-c2ccccc2)c1Cl"]
["192735844","COc1cc(-n2cnc3cc(-c4cnn(CC(C)C)c4)ccc32)cc(OC)c1C(=O)CCC(F)(F)F"]
["167724864","CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC([O-])=NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC"]
["190125245","CC[N+](C)(C)CNS(=O)(=O)C(F)(F)F"]
["19647253","O=C(c1cc(F)ccc1F)N1CCN(C[C@@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1"]
["94484515","CCC(Br)CNS(=O)(=O)c1cn(C)c(C)n1"]
["138821505","CN(C)C(Cc1ccccc1)C(O)=NCCCn1cccn1"]
["101286225","CCC1(CC)CCCC(C/C(C(=N)O)=C(\\Cl)c2ccccc2)O1"]
["113608664","Cn1cc(-c2cc(Cl)nc(-c3cc(Cl)cs3)n2)cn1"]
["152522641","COc1cccc(CC(O)=N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1"]
["105394705","CCc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccc([C@@H]4C[C@H]4C)o3)c(C)c2c1"]
["23806038","CCC(C)c1n[nH]c2c1CN(Cc1ccsc1)CC2"]
["132706642","Cn1cc(CN2CCN(C(=O)CN3CCCC3)CC2)c(-c2ccncc2)n1"]
["MCULE-2237032547","CC(c1cccnc1)N(C)C(=O)CSc1ccc(-c2cncc3ccccc23)cc1"]
["58370664","Cc1n[nH]c(C)c1S(=O)(=O)NC(C)(C)C(C)(C)C(=O)O"]
["156437895","CCOC(=O)CCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O"]
["57181086","Cc1cccc2nc(-c3cc(Cl)ccc3Br)c(N)n12"]
["MCULE-6888507029","Cc1cc(C(O)=Nc2cc(F)c(F)cc2-c2ccc(C(=O)N(C)C)cc2)n(C)n1"]
["50459789","CS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)c(N)c1"]
["48476594","CC(C)OC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1"]
["185508143","CS(=O)(=O)C1(c2ccccc2)CCC(O)=NC1=O"]
["171517001","CCn1c(-c2cccnc2C(C)OC)c(CC(C)(C)COC=O)c2cc(C(=N)NN(N)CC(N=C(O)C(C(C)C)N(C)C=O)C(=O)N3CCCCN3)ccc21"]
["92136411","CC1(NC(=O)c2ccc(NN)cn2)CCCCC1"]
["MCULE-7961232447","CSc1ncc(-c2ccccc2CN(C)C(=O)c2ncoc2C)cn1"]
["109988415","Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCN2CCCCCC2=O)cc1"]
["127400261","COc1cc(CCN=C(O)NCC(O)=NC(C)C)ccc1C"]
["181075682","C=C[Si](OC1CCCCC1)(c1ccccc1)c1ccccc1"]
["70650251","CCC1CN(S(C)(=O)=O)CCC1CC(O)=NCc1cccs1"]
["193250567","CCC(C)N=C(O)c1ccc2cc(-c3cc[nH]c4nc(C)nc3-4)[nH]c2c1.O=C(O)C(F)(F)F"]
["138111608","Cc1nc2ccc(NC(O)=NCC3CCC(C(=O)N(C)C)O3)cc2o1"]
["93121590","Cc1cc(C)cc(CC(=O)C2CCNCC2)c1"]
["13334114","Cc1ccc(C(=O)[C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)cc1"]
["MCULE-3525951997","CCCOC(=O)c1cccc(N=C(O)CCCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1"]
["MCULE-2081186348","CCC(=O)N1CCN(CCN(C)C(=O)c2cncc(C)c2)CC1"]
["130562172","O=C(c1cnc(Cc2ccccc2F)s1)N1CCN=C(O)CC1"]
["32725864","CCCc1oc(CNCCN2CCN(c3ccccc3C(F)(F)F)CC2)nc1-c1ccccc1"]
["5859145","COc1cccc([C@H](C[NH+]=C(O)C(C)(C)Oc2ccc(Cl)cc2)N2CCCC2)c1"]
["MCULE-5830571070","Cc1ccc(OCC(O)=Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1C"]
["176152318","CC.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)OCC2CCCO2)cc1"]
["14960512","Cc1cccc(-n2cc(CN3CCC[C@H]3CO)c(-c3cccc(F)c3)[nH+]2)c1"]
["74173236","O=C(CCl)C(=O)C(Cl)(c1ccccc1)c1ccccc1"]
["126338684","CC(C)Oc1ccccc1NC(O)=NC(C)C1CCOCC1"]
["50750527","Cc1cccc(N=C(O)c2ccccc2N=C(O)Cn2nc(C)c(C)c(C#N)c2=O)c1"]
["61961691","N#CC(Cl)C(=O)c1cc(Cl)ccc1F"]
["159122306","Fc1cncc(NCC2CSC2)n1"]
["MCULE-4137622393","CCCc1ccc(-c2ccc(NC(=O)CCCC(=O)N3CCCC3)c(C#N)c2)cc1"]
["94896489","Cc1cncc(C(N)Cc2ccc(F)c(Br)c2)c1"]
["88013024","CC(C)(C)c1ccc(CN)c(S)n1"]
["26538349","CCCN(CCC)Nc1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1"]
["98467487","CSc1sc(C=NN=C(O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cc(N(C(=N)N=C(O)OC(C)(C)C)C(=O)OC(C)(C)C)cc2NC(O)=NCCCCCC(=O)O)c1"]
["127924787","COc1ccc(C(=O)C(O)=NCc2cn(C)nc2-c2ccccc2)cc1"]
["97292966","O=C1C[C@@H]2c3ccccc3C(=O)N3CC[C@](O)(C1)[C@H]23"]
["87761649","COc1cc(C2=NCCN2)ccc1OCc1cc(OC)c(OC)c(OC)c1"]
["91052779","CC(O)=NC(c1ccccc1)c1ccccc1CNC(C)C"]
["169515903","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)OCC(COC(=O)CCCC/C=C\\C/C=C\\CC)OC(=O)C/C=C\\C/C=C\\C/C=C\\CC"]
["13015036","C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1c1ccccc1"]
["66892796","CC(C)C1N=C(O)C(C)N(Cc2ccc(Cl)s2)C1=O"]
["MCULE-8087807743","OC(CN1CCOCC1)=Nc1ccc2nccnc2c1-c1cnn(Cc2ccccc2)c1"]
["197513287","COC(=O)CC(CN)c1cccc(F)c1OC"]
["100568621","CCN(C)c1c(CN(C)C)cc2c3c(cccc13)C(O)=NC2=O"]
["147622561","COC(=O)c1ccc(NC(=O)Cn2cnc(-c3ccccc3F)cc2=O)cc1"]
["140182621","Cc1ccc(F)cc1S(=O)(=O)N1CCOC(c2cccc(O)c2)C1"]
["MCULE-9901635817","Cc1c(Cn2nc(C3CCC3)c(C(F)(F)F)c2N)cccc1C(F)(F)F"]
["42813880","NCCCCCC(O)=NCC1CCCCO1"]
["152937227","CC(=O)c1c(C)nn([C@H](C)CC(O)=NCc2nc(O)c3ccccc3n2)c1C"]
["117188416","CN(C(O)=NCCc1ccc(C(C)(C)C)cc1)C1CCS(=O)(=O)C1"]
["126290146","COC(=O)C(CN=C(O)c1coc(-c2ccccc2)n1)Cc1ccc(O)cc1"]
["97154576","N/N=C1\\CC(c2ccccc2)SC(c2ccccc2)C1Cl"]
["173319843","CC.CCOC(=O)c1cncnc1Oc1ccc2c(c1)OCO2"]
["87768908","CC(C)C(=O)N1CCc2cc(CCN3CCCC(C(=O)O)C3)ccc21"]
["48171656","NCC1CCCC1n1ncc(=O)c2ccccc21"]
["66887950","C1=C2CC=C3CC4=[N+]5C(=CC4)C=C4CC=C6CC7=[N+](C1=CC7)C5(N46)N23"]
["12249779","CCCC[C@@H](CC)CN=C(O)c1cncn1-c1cccc(-c2cccc3c2sc2ccccc23)c1"]
["59620981","CCOc1cc(C=C2SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1ccc(F)cc1"]
["140911910","CC(C)CN=C(O)C1CSCN1C(=O)CCc1ccc(F)cc1F"]
["156523263","Cn1cc([C@@H]2CCN(C(O)=NC[C@@]3(C)CCCO3)C2)cn1"]
["105770586","N#Cc1nccnc1NC[C@@H]1CCCCN1"]
["MCULE-1881792227","Cc1ncc(N=C(O)C2CCC(=O)O2)cc1-c1cccc(CN2CCN(C)CC2)c1"]
["176678467","C1CCCCCCNNNNNCCCCCC1"]
["MCULE-1326136965","CC(C)(C)C(=O)Nc1ccc(C(=O)CCN2CCN(c3ccc(F)cc3)CC2)cc1"]
["MCULE-8196834755","CCCc1ccc(-c2ccc(N=C(O)CCCc3ccccc3)nc2C)cc1"]
["134536915","OC(=NCCc1csc2ccccc12)c1ccc2nc(O)[nH]c2c1"]
["122041603","CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCOCC2)CC1"]
["138937813","CC(N=C(O)C=Cc1ccc(S(N)(=O)=O)cc1)c1ccccc1Cl"]
["159889469","CSCC1CCCN1C(=O)CCN1CCCS1(=O)=O"]
["185027031","COCCOCCOCCOc1csc(-c2ccc(-c3c(OCCCCCCBr)cccc3OCCCCCCBr)s2)c1"]
["168963044","Clc1cc2nc(OC3CO[C@@H]4CCO[C@H]34)[nH]c2nc1-c1ccc(OCc2ccccc2)cc1"]
["128092854","CCN(C)CC1CCN(C(O)=NCc2ccc(F)c(COC)c2)C1"]
["125815642","CCOCCOCC(=O)OCc1cn(-c2ccc(F)cc2Cl)nn1"]
["26951028","CCOC(=O)C(OC(C)=O)(C(=O)OCC)c1c(C(=O)C2CCCCC2)[nH]c2cc(Cl)ccc12"]
["MCULE-1755358021","CNCc1cnn(C(C)c2ccc(C3CC3)cc2)c1O"]
["MCULE-5649507099","N#Cc1ncccc1-c1ccnn1C1CCCC1"]
["167551061","C[C@@H]1CN(c2cc(F)c(Br)cc2[N+](=O)[O-])C[C@H](C)N1"]
["9183916","CCCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(=N)[nH]3)OC2=O)C(=O)O1"]
["80134896","CC(C)CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1C(O)=NC(=O)N(CC(C)C)C1N"]
["174501193","CC(=O)O.Cc1cccc(CC(=O)O)c1C"]
["121332101","CCN1CC(C(O)=NCC2(C)CCCc3ccccc32)CC1=O"]
["58186390","Cn1nnnc1/C=C(\\c1ccccc1)c1ccc(F)cc1"]
["13733755","Cc1ccc(C(O)=Nc2nnc([C@@H]3CCCO3)o2)c(C)c1"]
["18874944","CCN1CCN(Cn2[nH+]c(-c3cccc(S(=O)(=O)N4CCCCC4)c3)oc2=S)CC1"]
["130736237","OCC1(NC(O)=NCCC2CCCCO2)CCC1"]
["MCULE-7132088769","COc1ccc(OC)c(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3ccc(Cl)cc3)n2)c1"]
["90564869","COC(=O)C1OC(C)(C)OC1C(N=[N+]=[N-])C(CO)O[Si](C)(C)C(C)(C)C"]
["MCULE-2029304346","O=C(COc1ccc(-n2cccc2)cc1)N1CCC(CN2CCOCCCN(Cc3cnn4ccccc34)CCOCCOCCC2=O)CC1"]
["26152917","COc1ccc(C2(c3cccs3)C=Cc3c(C)cc4ccccc4c3O2)cc1"]
["27911144","CC(C)(C)OC(=O)[C@H](CCC(=O)N1CCC2(CCN(C(=O)CCN=C(O)OCc3ccccc3)CC2)CC1)NS(=O)(=O)c1ccccc1"]
["MCULE-1028862143","CCOc1ccc(-c2ccc(C(O)=Nc3nc(C)cc(OC)n3)cc2F)cc1"]
["134581354","Cc1nc(C2(NCC(O)=NC(C)C(C)C)CCCC2)no1"]
["107696751","CC[C@@H]1CN([C@@H](C)COC)[C@H](CC)CN1"]
["84427746","Cc1ccccc1OCCC(O)=NC(CC(=O)O)C(=O)O"]
["MCULE-9743271702","COc1ccc(-c2cc(F)ccc2C(=O)N(C)CCC#N)cc1"]
["95290919","O=C1c2ccccc2CCN1CC1=CCNCC1"]
["MCULE-6268647838","N#Cc1ccc(F)c(N=C(O)CC2CCN(Cc3ccccc3)CC2)c1"]
["114016247","CC1CCC(N=C(O)c2cc(F)cc([N+](=O)[O-])c2N)C1C"]
["22816948","O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ccncc2)CC1"]
["87346125","CCOc1ccccc1C(Cl)c1cc(Cl)c(OC)cc1Cl"]
["MCULE-5839290340","COc1cc(N=C(O)c2cnc3cc(C)nn3c2)ccc1-c1cccc(OC)c1F"]
["23061683","c1ccc(-c2ccc(=NCC3CCCO3)[nH]n2)cc1"]
["136262369","Cc1nc(NC(O)=NC2CCN(S(C)(=O)=O)CC2)ccc1Br"]
["106645976","Cc1cccc2c1cnn2CCC(O)=N[C@@H]1CCCC[C@H]1CN(C)C"]
["130078669","CN(Cc1cccnc1)C(O)=Nc1ccc(C(N)=O)nc1"]
["MCULE-1722912732","COCCN(CCOC)C(=O)c1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1"]
["187970378","CC(O)=N[C@H]1CCCC1C(Cn1ccnc1)(c1ccccc1)C1CCN(CC2CN(c3ccc(Sc4ccccc4)cc3)C2)CC1"]
["137251051","N=C(O)c1ccccc1Oc1ccc(NC(O)=NC2CCCC2)cc1"]
["170508172","COc1cc2ccc1OCC(O)=N[C@@H]1CN(C(=O)c3cccc(Cn4cccn4)c3)CC[C@H]1Oc1ccc(cc1)CN=C(O)CC2"]
["107393038","CCC[C@H](C)C(=O)N1CCCc2cccc(CC)c21"]
["134942034","CCS(=O)(=O)N1CCC(N=C(O)c2cnn(-c3ccccc3F)c2C)CC1"]
["63534615","Cc1cncc(C(O)=Nc2cccc(C(=O)O)c2)c1"]
["141826250","Cc1nc(-c2ccccc2)ncc1C(O)=NCC(=O)OCc1ccccc1"]
["184089885","COC(=O)c1cc(N)c(C)cc1OCC(C)OC"]
["88937679","COC(=O)Cn1c(C=O)nc2cc(O)ccc21"]
["MCULE-2788407989","COc1cc(OC)cc(C(O)=Nc2cnc(OC)c(-c3cc(C#N)ccc3F)c2)c1"]
["48456702","C/C(=C\\COc1ccc([N+](=O)[O-])cc1)C(=O)O"]
["107486401","CC(C)(C)c1ccc([C@H]2NCCC[C@@H]2O)cc1"]
["103160820","CCn1nc(C(=O)NN=C(O)[C@H]2Oc3ccccc3O[C@H]2C)c2ccccc2c1=O"]
["88205288","CCc1nn(Cc2ccc([N+](=O)[O-])cc2)c(CC)c1CCl"]
["96526124","[2H]C([2H])([2H])c1cccc[n+]1C"]
["120178458","CCC(CCl)(CCl)N=c1cc(C)[nH]c2ccccc12"]
["65545928","Cc1ccccc1N=C(S)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21"]
["10707113","O=C(CCC(O)=NCCc1ccc2c(c1)OCO2)c1cccc(Cl)c1"]
["MCULE-6992521461","COc1ccc(C2=C(Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1"]
["87950903","CCCCn1nc(C(C)C)cc(CNC2CC2)c1=O"]
["44034133","COc1ccc(NS(=O)(=O)c2cc(C(O)=NC[C@H]3CCCO3)ccc2F)cc1"]
["MCULE-6553316860","CCOC1CCCN(C(=O)c2cc(C)c(-c3ccc(F)nc3F)cn2)C1"]
["MCULE-3744384166","CCCNC(=O)c1cc2c(N3CCCCC3)ncnc2n1CC(C)C"]
["15882619","CN1CCN(C(=O)c2c([NH2+]C(=O)c3ccc(Cl)cc3)sc3c2CC[C@H](C(C)(C)C)C3)CC1"]
["93855914","CC1CC(C)N(c2cc(C#N)cc(Cl)n2)C1"]
["66062888","CCN=NCC.COc1cc(C(O)CO)ccc1O.COc1cc(C(O)CO)ccc1O"]
["88577155","CCC1(C(=O)O)CCCN1C(O)=NCc1nncn1C"]
["196485679","c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5oc6cc7ccccc7cc6c45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1"]
["MCULE-5506583116","CC(=Cc1ccccc1Cl)C(O)=NC(C)C(O)=Nc1cccc(C(F)(F)F)c1"]
["186659330","C=C(C)C(=O)OC12CC(NS(=O)(=O)C(F)(F)F)C3CC1CCC32"]
["108067424","COc1nccnc1N1CCC([C@@H](C)N2CCOCC2)CC1"]
["66324370","Clc1nc(OCc2ccccc2)nc(-n2cccn2)n1"]
["22235494","C[C@H]1CCCC[C@@H]1N[C@@H](CC(=O)[O-])C(=O)c1ccc(Cl)cc1"]
["87260277","CCc1nsc(SC2=CNC=C/C2=C(\\N)N=O)n1"]
["19649821","c1ccc(-c2ccc(-c3n[nH]cc3CNCCc3cn[nH]c3)cc2)cc1"]
["113052027","CC(CBr)CCCNS(=O)(=O)C1CCOCC1"]
["152651779","Cc1oc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)c(C#N)c1C"]
["MCULE-9626571723","CCc1nn(Cc2cccc(OC3CC3)c2)c(N)c1C(F)(F)F"]
["156593670","CCc1cc(C(O)=Nc2ccnn2C[C@H]2CCOC2)n[nH]1"]
["111033166","CC(C)COCCCNC1CCSC1C"]
["MCULE-8773379693","COC(=O)c1cnn2c(=O)cc(-c3ccc(F)c(C)c3)[nH]c12"]
["134490832","COc1cc(C(O)=NCCN2CCC(N(C)C)CC2)ccc1OCC(C)C"]
["28930369","O=C1CCCCCc2oc(=O)c(C(c3cccc(NS(=O)(=O)c4cccs4)c3)C3CC3)c(O)c21"]
["198805886","NCC12CCC1CCN2Cc1ccc2c(c1)CN(C1CCC(O)=NC1=O)C2=O"]
["143177581","CNCC1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1.Cl.Cl"]
["MCULE-7992164320","Cc1ccc(N=c2[nH]c(N3CC(C)CC(C)C3)nc(=NCC(O)c3ccc(Cl)cc3)[nH]2)c(C)c1"]
["82513273","COCC12CN(C)CCC1(c1ccc(Cl)c(Cl)c1)C2.Cl"]
["112172799","CC1CC(NCc2ccc(O)c(Br)c2)CCO1"]
["27539364","O=C(O)CC(CC1CCCC1)C(=O)N(c1nc(-c2cc(OC(F)(F)F)ccc2-c2ccc(N3CCCC3=O)nc2)cs1)C1CC1"]
["24537120","O=C1CC(c2ccc(F)cc2)=Nc2ccccc2N1CC(O)=NCCc1ccccc1"]
["81814525","CCC1SCC(C(=O)O)N1C(=O)C=Cc1ccc(F)cc1"]
["93995314","N=C(O)NCCNc1cnn(CC2CC2)c(=O)c1Br"]
["15579217","Cc1sc(-n2c(C)ccc2C)c(C(=O)N2CCN(c3ncccn3)CC2)c1C"]
["198280802","OC(CC1CCCCCCC1)=NOC1C/C=C(\\CC2CCCCCC2)CCCC1"]
["171532770","N=C(O)C(O)(c1ccccc1)c1ccccc1-n1ccnc1"]
["60156297","CCN(CCN=C(O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1C"]
["13303354","Cc1cccc(C(O)=N[C@@H](C(=O)O[C@@H](C)C(O)=NCc2ccc3c(c2)OCO3)C(C)C)c1"]
["76677275","CCN1C(=S)N=C(O)CC1C"]
["14628319","CC1=C(C(O)=Nc2cccc(C)n2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccco3)CC2=O)N1"]
["182931337","CC12C=C3C=CC(=N3)C=c3ccc([nH]3)=CC3=NC(N=C(O)c4cccnc4)(C=C3)C(F)=C(N1)C(C)(C)C2=O"]
["90046169","O=Cc1ccc2c(c1)SCC(=O)N2C1CCCC1"]
["190515602","C1CO1.[OH-]"]
["78944496","C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(NCCCOCCOCCOCCOCCOCCCC)ncnc32)[C@H](O)[C@@H]1O"]
["169672745","CO/C(C)=c1\\c(C(=O)C(=O)N2CC3CN(C(=O)C4=CCCCC4)CC3C2)c[nH]\\c1=C\\N"]
["MCULE-4388748178","COCC(=O)N1CCC2(CCCN(C(=O)c3cccc(OC)c3)C2)CC1"]
["100073756","O=C(CCc1ccc(Cl)c(Cl)c1)N1CCCC1CS(=O)(=O)c1ccccc1"]
["85671948","CCC1CCC(N(C)Cc2ccc([N+](=O)[O-])c(N)c2)CC1"]
["15272952","Cc1ccc(C(=O)OCC(O)=Nc2cccc(Cl)c2)c(C)c1"]
["67494035","COC(=O)[C@H](C)N1C[C@@H]1C(O)=Nc1ccccc1"]
["152987916","COc1cc(/C=C(\\C#N)C(=N)S)ccc1OCC(=O)O"]
["171407841","CCCC(C)CC(O)C(O)(N=C=O)C(=O)O"]
["154507289","COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(Br)cc1"]
["6141300","CCN(CC)S(=O)(=O)c1cccc(C(O)=N[C@H](C(=O)OCc2ccc(F)cc2Cl)C(C)C)c1"]
["167192695","c1ccc(-c2nc3ccccc3c3ccncc23)cc1"]
["7808749","CCOc1ccc(Nc2nc(C(O)=Nc3nc4ccccc4s3)cs2)cc1"]
["115587787","COc1ccc(C2/C(=C(\\O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(OCC(C)C)cc2)cc1"]
["111041293","COc1ccsc1C(=O)N1C[C@@H]2CCCN[C@@H]2C1"]
["60835013","CCCCC(N(C)C)C(C)(N)c1ccc(F)cc1"]
["195565349","Nc1cccc2c1OCC21CCC1"]
["170881630","O=C(O)C1=Nc2ccccc2N([C@H]2C[C@H]3CC[C@@H](C2)N3C2CCCCCCC2)C1"]
["2756115","Cc1cccc(N2CCN(C(=O)c3cccc(Cl)c3)[C@@H](C)C2=O)c1"]
["64255644","COc1cc(C(COCc2ccccc2)N=[N+]=[N-])c2c(c1C)OCO2"]
["167110055","CCCN1CCN(C2=NS(=O)(=O)C(c3ccc(C)c(C)c3)=C2C)CC1.NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]
["MCULE-8146877253","CN(C(=O)c1c(F)cccc1-c1cccnc1)C1CC1"]
["9606004","CC(C)c1ccccc1OCCN=C(O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]"]
["132121231","Cc1cccc(-n2nnnc2SCCCS(=O)(=O)C(C)C)c1"]
["51333776","O=[N+]([O-])c1c(NN=C(O)c2ccc(Br)cc2)ncnc1NN=C(O)c1ccco1"]
["177545597","O=S(=O)(Cc1ccccc1)Nc1cccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c1"]
["173482735","O[C@H](CN(C[C@H](O)C(F)(F)F)CC(Cc1ccccc1)(c1cccc(CC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F"]
["126097150","CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(S(N)(=O)=O)o1"]
["108713131","Cc1cc(NC(O)=NC[C@@](C)(O)c2ccco2)ccc1[N+](=O)[O-]"]
["189286609","C[C@@H]1Cc2ccccc2-c2cnc(C(C)(O)C(F)(F)F)n21"]
["81692957","O=S(=O)(c1nc2ccccc2s1)N1CCCCC1"]
["97202832","COc1c(Br)cc(O)c(Oc2ccc(Br)cc2Br)c1Br"]
["80816954","Cc1nc2ccccc2c(C)c1CC(O)=NC(c1ccc2c(c1)OCCO2)C1CC1"]
["184534714","CCC(CC1CCC2=C3CCC3=C21)C1CCC1"]
["89579406","CN(CCC1CCCCCN1)C(=N)O"]
["102186093","CC[C@@H](C(O)=NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O"]
["45260339","Cc1c(O)ccc2c1CCC=C2NOC(=O)c1ccccc1I"]
["56161427","N#CCS(=O)(=O)NC(C(=O)O)c1ccccc1"]
["48144634","CCOc1cnc2c(c1)cc1n2C(C)CN=C1O"]
["MCULE-6204663091","Ic1cc(-c2ccccc2)nn1Cc1ccc(OC2CC2)cc1"]
["169878868","CCN=CN(C(CC(=O)OC)C(C)(CC)CN=C(O)OC(C)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1"]
["196315529","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(CCCCCCCC(O)=NC(CCCN)C(=O)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"]
["84447956","CC[C@H](O)c1ccccc1OCC(O)=NCCOC"]
["195505271","FC1=CC2=NC(C3NN=C(c4cccc(-c5nnc(-c6ccc7c(n6)CC(F)C=C7)o5)c4)O3)=CCC2C=C1"]
["MCULE-8892655159","CC(C)(C)SCc1cc(=O)c(OCc2c(Cl)ccc(Cl)c2Cl)cn1CCC1=CCCCC1"]
["193188303","CB(O)N1CCC(c2ccc(S(=O)(=O)c3cccc(O)c3)cc2C)C1.Cc1cc(S(=O)(=O)c2cccc(O)c2)ccc1C1CCN(C)C1"]
["MCULE-1749245479","Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc(-c2ccc(CC(=O)O)cc2)cc1[N+](=O)[O-]"]
["84024521","C#CC1(C)CN1S(=O)(=O)c1ccccc1"]
["MCULE-4916761320","O=S(=O)(c1cccs1)N1CCN(c2ccc(N=C(O)COc3ccc(Cl)cc3)cn2)CC1"]
["95394795","COCCOc1nc(Cl)ccc1N"]
["163483360","CN(C)CCN(CCN(C)C)[C@]12CCCC1[C@H]1CCC3[C@@](C)(CCC4C(C)(C)[C@@H](c5ccc(C=O)cc5)CC[C@@]43C)C1CC2"]
["32122293","COC(=O)CN=C(O)[C@H](Cc1ccc(I)cc1)N=C(O)c1ccccc1"]
["67340400","CC(O)=NCCN=c1[nH]cnc2cc(Cl)ccc12"]
["177204772","CC(C)c1ccccc1S(=O)(=O)C/C(F)=C/CN.Cl"]
["114229286","N#Cc1cc(=Nc2ccc(OC(F)(F)F)c(Br)c2)cc[nH]1"]
["74466989","CCCCCCC1(CC(O)CO)CCCCCCCCCC(=O)OOCCOC1=O"]
["191231383","C.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.S"]
["125586112","COCc1nc2n(n1)CCCC2N=C(O)CCC1CCOC1"]
["179115815","CC1CCNCSN1C"]
["18324816","Nc1cc(N2CCCCC2)ccc1Cl"]
["107182053","NCC[C@H](C(O)=NC1CCCC1)c1c[nH]c2ccccc12"]
["173581197","CN=C(O)c1cn(-c2cc(Br)cc(C(F)(F)F)c2)cn1"]
["168042668","CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C"]
["MCULE-2108533347","COc1cc(F)ccc1-c1cnc2c(c1)CCN2C(=O)CN1Cc2ccccc2C1=O"]
["MCULE-7878723937","N#CC1=C(NC(=O)Cc2cc(F)cc(-c3cccc4cccnc34)c2)CCC1"]
["176500369","Cc1cccc(C(c2cccc3ccccc23)C(C)c2ccc(-c3ccc(C(C)C(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c1"]
["137735441","Cc1nc(C(N=C(O)c2occc2C)c2ccccc2F)no1"]
["60684785","Cc1cc(C)c(/C=C(\\N)c2c(C)cc(C)cc2C)c(C)c1.N"]
["129145211","COc1ccc(CN=C(O)N(C)Cc2ccc(Br)cc2)cc1F"]
["129863614","O=C(c1cscn1)N1CCCc2cc(Cl)cc(Cl)c21"]
["101418565","CCc1nccn1CC(O)=NCc1cc(-c2cccc(OC)c2)on1"]
["154043219","CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(F)cc1"]
["60502447","C=CCN=C(O)Cc1ncncn1"]
["90034673","Cn1c(CCO)nc(-c2ccc(Br)s2)c1Cl"]
["165423376","CC1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc2nc(O)oc2c1"]
["158294357","c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3O4)n2)cc1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1"]
["142180945","CCOCCC1(CN=C(O)Nc2ccc(OC(F)F)cc2)CC1"]
["119408964","CC(O)=NC(CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Br)cc1"]
["178350746","CSc1ccccc1N=Cc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1O"]
["121194325","Cc1cc(COC(=O)C2CCN(C(=O)N3CCCC3)CC2)ccc1Cl"]
["142879559","Cc1ccc2oc(=O)n(CN3CCOC(c4nc(C(C)(C)C)cs4)C3)c2c1"]
["MCULE-1333515668","Cc1ccccc1-c1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)c3c(I)c(I)c(I)c(I)c3C2=O)cc1"]
["167172560","O=c1c(-c2ccccc2N=C(O)OCc2ccccc2)c[nH]cc1[N+](=O)[O-]"]
["12321426","COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21"]
["91491847","FC(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C(F)(F)F)cc4)cc3)cc2)cc1"]
["MCULE-3773844909","Cc1nc(N=C(O)C2CCCN(C)C2)ncc1-c1cccc(C#N)c1F"]
["185010313","Cc1cccc(C2=C(c3ccccc3)C=CC(N)(N(c3ccccc3)c3ccccc3)C2)c1"]
["18421922","O=C(Nc1ccc(Cl)cc1)Nc1ccc(CC(O)=NC2CC2)cc1"]
["23426828","COC(=O)c1c(NC(=O)c2ccco2)c2cc(NCC(O)CO)cnc2n1CCC(C)C"]
["107928123","Cc1ccc(CN[C@H](C)CCCO)o1"]
["157587287","CN(C)[C@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1"]
["6078860","CCCn1c(S[C@@H](C)C(O)=Nc2c(C)cccc2C)nnc1-c1cccnc1"]
["7414150","Cc1ccc(CN=C(O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)cc1"]
["MCULE-6565228119","CON(C)C(=O)c1cccc(-c2cc(C(=O)N=c3cc[nH]c(C)c3)ccc2N2CCOCC2)c1"]
["104063365","CCOc1ccc(-c2csc(N=C(O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1"]
["MCULE-9531328138","Cc1cc(-c2ccc(C(N)=O)cc2)c(F)cc1NC(=O)C1CCC(C)CC1"]
["135167259","Cc1cccc(OC(=O)c2cc3cnn(C(C)C)c3nc2C)c1"]
["122004892","COc1ccc(C)nc1NC(O)=NC1CCN(Cc2ccccn2)CC1C"]
["135952738","CN(C(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)c1ccc(C(C)(C)C)cc1"]
["77578852","CN(Cc1ccc(Cl)s1)CC(O)COc1ccc(CC#[NH+])cc1"]
["187882288","O=C(Nc1cc(Cl)ccc1-n1cnnn1)C(=O)N[C@@H](Cc1ccc(NC(=O)N2CCC(OC[C@H](O)CO)CC2)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]
["42953364","CCCN(c1ccc(Cl)c(C(=O)O)c1F)S(=O)O"]
["165548","CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(O)=NCCc1ccoc1"]
["194930669","C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@@H](CN[C@H]2CCCC23CCCC3)[C@]2(O)CN12"]
["4183631","O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1ccccn1"]
["13903500","COc1cccc(N=C=O)c1"]
["42391228","CCc1ccc(N=C(O)c2nnc(CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)s2)cc1"]
["136828055","CCCCC(CN)N=C(O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1.Cl"]
["161233417","CC(C)[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)C(=O)CF"]
["MCULE-4463729002","Cc1cccc2c(=O)cc(C(O)=Nc3nc(C(C)C)cs3)[nH]c12"]
["46912465","CCNCC1CNc2ccccc2O1"]
["21596051","C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1Cl"]
["170039269","c1ccc(-c2cccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4ccc5sc6ccccc6c5c4c3)c2)cc1"]
["53963110","O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(OS(=O)O)cc3)cc2[O-])N1c1ccccc1"]
["MCULE-8096341235","CCCOC(=O)c1ccccc1N=C(O)CCCN=C(O)OC"]
["108926472","C[C@@]1([C@]2(C)C=C[C@](C)(O)CC2)CC[C@H]2O[C@@]21CO"]
["MCULE-5400222418","CCc1nn(-c2ccc(C)cc2)c2c1C(c1ccc[nH]1)C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2"]
["MCULE-7615214062","N#Cc1ccccc1-c1cnc(C(=O)NCCN2CCC(Cc3ccccc3)CC2)nc1"]
["90641848","COCC1OC(Cc2ccccc2C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)OCC1OCc1ccccc1"]
["114359836","COc1cccc(C#N)c1NC1CCC(C)(C)CC1C"]
["77259408","CCC(C)C(N=C(O)c1ccccc1)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1"]
["136733802","COc1c(C(=O)N=c2ccn(CCN(C)C)[nH]2)cnc2c1cnn2C"]
["31485510","COc1ccc(Oc2ccc3c(OCC(=O)O)c(C(=N)O)nc(C#N)c3c2)cc1"]
["MCULE-9520153824","Cc1cc(C(O)=Nc2ccc(F)c(C#N)c2)ccc1-c1cn(C)nc1C"]
["106650161","Cc1c(NC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)c(C(=O)N(C)C)nn1C"]
["13549224","C[C@H](CC#N)Sc1ccccc1NCC(O)=N[C@@H](C)c1ccc(Cl)cc1"]
["77552404","O=C([O-])C1OC(OCc2ncc3n2-c2ccc(Cl)cc2C(c2ccccc2F)=NC3)C(O)C(O)C1O"]
["47730115","CO[Si](C)(CCCCCC[Si](C)(OC)OC)OC"]
["69416568","CCCS(=O)(=O)CC(O)=NCC(C)c1ccc(F)c(F)c1"]
["154464214","CCOc1cc(/C=N/N=C(O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCC"]
["176197843","CN1CC(n2cc3c4ccccc4c(=O)nc-3[nH]2)C1"]
["173521353","C=C(C=O)CN.CCCCCc1ccc(-c2ccc(OC)cc2)cc1"]
["25422870","NP(N)(=O)NS(=O)(=O)C(Cl)(Cl)Cl"]
["108100788","N#Cc1cccc(SCCOC[C@@H]2CCCO2)c1"]
["74102457","[CH2]Cc1nc(CCCCCCC)cc(CCCCCCC)n1"]
["157600735","CC[C@@H](c1ccncc1)N(C)S(=O)(=O)N1CCCC[C@H]1C"]
["109286006","COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)cc1OC"]
["26341242","CC(O[C@H]1OCCN(c2[nH]nnc2CN(C)C)[C@@]1(C)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["60413782","CC(C)c1[nH]nc(C(=O)Nc2cccc(C(=N)O)c2)c1N"]
["MCULE-6598478353","Cc1ccc(Cc2c(C)nc(N3CCN(C(=O)CCc4ccc(C)c(C)c4)CC3)nc2O)cc1"]
["131713763","CCc1onc(C)c1NC(O)=Nc1cc(N=C(C)O)ccc1Cl"]
["60971084","Nc1cc(Cl)c(F)cc1Sc1ncccc1Br"]
["133904687","c1cc(-c2noc(CC3CCOCC3)n2)cs1"]
["MCULE-6931953140","CC(=O)c1ccc(-c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2C#N)s1"]
["124210279","Cc1ccc(N=C(O)CCc2cccc([N+](=O)[O-])c2)cc1S(N)(=O)=O"]
["45513405","CCN(CC1CC1)C(CN)c1c(C)cc(C)cc1C"]
["178101889","CC1CCC(C2CCC(C3CCC(O)CC3)C(F)C2F)CC1"]
["91317471","Brc1cc(Br)c2c(c1)CCCC2"]
["105508182","CC(C)C(O)=N[C@@H](C#N)c1ccc(C(C)C)cc1"]
["153851440","CCN1C(=O)/C(=C2\\S/C(=N/c3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)c2ccccc21"]
["184240614","CC1C(C)C(C)[C@H](C)C2C3CCC3C12"]
["113311370","Cc1noc(CCNc2nnccc2C(N)=S)n1"]
["43230964","C[C@@H]1[C@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)O[C@H](c2cccc(NC(O)=NCc3ccccc3)c2)O[C@@H]1c1ccc(CO)cc1"]
["141606883","Cn1ccnc1CC1CCCN(C(O)=Nc2ccccc2OC(F)F)C1"]
["31657680","N#Cc1sc(C(F)(F)F)cc1OC1CCN(C(=O)C2(F)CCN(C/C=C/C3CNC3)CC2)CC1"]
["81182312","COCc1nc(OC)c2c(C)c(C(=O)N(C)CCCC3CC(c4ccc(F)cc4)NN3)sc2n1"]
["MCULE-6320738577","COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)C2c2ccc(OC(=O)c3ccccc3)cc2)cc1OC"]
["93079528","Cc1nn(C)c(Cl)c1CC(=O)C1CCc2ccccc21"]
["MCULE-1123070767","CC1(C)CC(=O)CC(C)(C)N1C(=O)c1ccc(F)c(-c2ccc(C(F)(F)F)cc2)c1"]
["153061279","CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(O)=N[C@@H]1CCCCN=C1O"]
["50717854","C[C@H](N=C(O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(O)=Nc1cc(Cl)ccc1Cl"]
["84557411","Cc1ncccc1NC(O)=NCCn1cc(C(=O)O)nn1"]
["MCULE-1656235888","CCCCCCN=C(O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)C1c1ccccc1C"]
["2528539","Cc1ccc(NS(=O)(=O)c2cccc(C(O)=Nc3ccccc3C(C)C)c2)c(C)c1"]
["119569641","Cc1ccccc1Nc1cnnc(Nc2ccc(N3CCN(C)CC3)cc2)n1"]
["MCULE-2793490191","CN=C(S)Oc1cccc(NC(O)=NCCc2ccccc2)c1"]
["12267122","C[C@H](N=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1F"]
["MCULE-3828104665","Oc1c2c(nc3c(-c4cccc(F)c4Br)c(C4CCCCC4)nn13)CCC2"]
["MCULE-9983606577","O=C(Nc1ncccc1OCC(O)=Nc1ccccc1F)c1ccc(Br)o1"]
["124012332","OC(=NNc1cc(F)cc(F)c1)c1cscn1"]
["180526332","NC1=CCN(C(=O)OC2CCOC2)CC1"]
["113092006","CCCN=c1[nH]c(NC(CO)COC)c(Cl)cc1Cl"]
["212005","Oc1cc(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O"]
["60451172","COc1ccc(Br)cc1C(c1ccc(Br)cc1)N1CCCC(C(=O)O)C1"]
["146280649","CN=C(O)Cn1ccc2ccc(N=C(O)C3C4CCC(C4)C3N)cc21"]
["MCULE-2963299327","CCOc1cccc(C(=O)N(c2ccccc2C)S(=O)(=O)c2cc(C)ccc2OC)c1"]
["177238397","CC(C)(C)C(=O)c1cccc2nc(Cn3cccc(N)c3=O)[nH]c12"]
["179225795","CCC[C@@H](N=C(O)N1CC(O)=NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)O)c(F)c1"]
["MCULE-5931385904","Cc1ccc(-c2cc(C)c(NC(=O)COC3CCCCC3)cc2C)cc1"]
["30918016","COc1ccc(C(O)=Nc2ccc(OCCN)c(-c3c(Cl)cnn3C)c2)c(F)c1.O=C(O)C(F)(F)F"]
["62606021","NC/C(=C/F)Cc1cc(F)c(F)c(F)c1"]
["174974803","CCc1cc(CNSC(C)(C)C)c(-c2ccccc2CO)c(S(F)(F)(F)(F)F)c1"]
["109279883","C[C@@H](NCC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(F)c(F)c1"]
["42803221","N=c1nc(COC(=O)CN=C(O)c2ccccc2F)[nH]c(=Nc2ccccc2)[nH]1"]
["26577406","N=c1nc(O)c2nc(Cc3ccc(C(=O)O)o3)[nH]c2[nH]1"]
["145680978","C=C1c2ncn(Cc3ccccc3)c2C(c2ccc(F)cc2)=CN1c1ccc(OC(F)(F)F)cc1"]
["MCULE-1210553610","COc1cc(C(=O)N2CCN(Cc3ccccc3C)CC2)ccc1-c1cccnc1OC"]
["106203188","C[C@@H](N)[C@@H](c1cnn(C)c1)N1CCCC1(C)C"]
["133007029","CN(C)c1ncnc2c1ncn2Cc1csc(-c2ccsc2)n1"]
["154700564","COC(=O)c1ccccc1N=c1cc(C)nc(-c2ccc3c(c2)OCO3)[nH]1"]
["133200217","COc1cc(C)cc(CNC(C)c2ccc(F)c(OC)c2)c1"]
["196633318","CC1(C)OC[C@H]2O[C@@H]3CC(O)O[C@@H]3[C@@H](n3cc(-c4ccc(Cl)c(F)c4F)nn3)[C@H]2O1"]
["196445858","COB(c1ccccc1)c1c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cccc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C"]
["101343280","C[C@@H]1Nc2cc(C#N)ccc2N(Cc2c(C3CC3)cnc3ccccc23)C(=O)[C@H]1N=C(O)[C@H](C)N(C)C(=O)OC(C)(C)C"]
["89799115","COc1ccc2c(ccn2CC(C)C)c1"]
["179845959","C1=C2CC(C2)C2CCC=12"]
["MCULE-2330453753","CN(C(=O)C1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)c1ncc(-c2cccn2C)cn1"]
["54293882","CCC(CC#N)NS(=O)(=O)c1c[nH]nc1C"]
["MCULE-9246512222","Cc1cc(-c2c(F)cc(F)cc2F)ccc1CC(=O)N1C(C)(C)CC(=O)CC1(C)C"]
["182280314","COc1cc(OC[C@@H](Nc2ccc(CNCCC(=O)O)cc2)C(C)C)ccc1-c1cc2ccccc2o1"]
["195123377","Cc1cccc(-c2nn(CC(O)=Nc3cc(F)cc(C(=O)OCCN(C)C)c3)cc2-c2ccnc3ccccc23)n1"]
["185738142","CC(C)=CCNN=C(O)C(CC(C)C)S(C)(=O)=O"]
["112453508","CCNCc1snnc1-c1ccc(I)cc1"]
["118609887","CCc1noc(-c2ccc(C)c(NC(O)=NC(CO)CC(C)C)c2)n1"]
["51673012","Fc1cc(NCc2ccc3c(c2)CCO3)ccc1Br"]
["33928722","CCN1CCN(c2nc(-c3ccc(CCCC(C)(C)O)c(F)c3)cc3ccccc23)CC1"]
["13576093","CN(C(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CC1"]
["MCULE-9090795518","C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1sc(Cl)cc1Cl"]
["55503254","Cc1ccc(C(=O)N(C)CCC(=N)NO)s1"]
["85625481","CC(C)CC(CN)CN(C)CC1CCC1"]
["128768885","Cc1cc2c(cc1C)C(C(O)=NCCN=C(O)c1ccccc1O)CO2"]
["200248571","COC(=O)c1cc(F)c(NCCCNCCCCNCCCN)cc1N=C(O)OCc1cc2ccccc2cc1OC"]
["148655151","CC(C)NC1CCc2cccnc2N1"]
["11605588","Cc1nnc(-c2ccccc2NC(O)=NC2CCN(Cc3cccc[nH+]3)CC2)o1"]
["58152412","Cc1ccc(-c2ccccc2)c(F)c1C(=O)O"]
["MCULE-9195669156","N#Cc1ccc(Cn2c(=O)oc3cc(N)cnc32)cc1"]
["49995383","CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(O)=Nc2cccc(C(F)(F)F)c2)cc1Cl"]
["99470622","O=c1nc([O-])ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]
["155491227","Cc1c(Br)cncc1[C@@H]1Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3"]
["28228954","Cc1cc(C)nc(Nc2ccc(NC(=O)C3CC(=O)N(Cc4cccc5ccccc45)C3)cc2)n1"]
["143491283","CC(N=C(O)C(C)(C)C)C(O)=NC(c1ccc(Cl)cc1F)C(C)C"]
["MCULE-3468314734","CCOc1ccc(N=c2[nH]c(N(CC)CCc3ccncc3)nc(=NCc3ccccn3)[nH]2)cc1OCC"]
["78223633","CCOc1ccc(/C=C2/CC([AsH2])=CC=C2C#N)cc1"]
["65979168","CN(C)CC[NH+]=C(S)NN=C(O)c1cc(-c2ccccc2)nc2ccccc12"]
["138327687","CCN(CC)C(=O)C(C)N1CCC(c2nc3cc(Cl)ccc3o2)CC1"]
["175964489","C#CCN(CC#CC1C=CC=CC=C1)S(=O)(=O)c1ccc(C)cc1"]
["2820108","O=C(NCc1ccncc1)c1ccc(OC2CCN(Cc3cccs3)CC2)cc1"]
["77532209","OC(=[NH+]C1CCCC1)c1coc(CN2CCN(CC=Cc3ccccc3)CC2)n1"]
["110831343","Cc1cc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)nc(C)n1"]
["59657946","COc1ccc(S(=O)(=O)/N=C2/C=C(NN=C(O)c3ccccc3OC)C(=O)c3ccccc32)cc1"]
["119118632","Cc1cc(C(O)=NCC(C)(C)CCO)c2c(O)nn(C)c2n1"]
["28167345","Cn1c(=O)n(-c2ncccc2CN(c2cncnc2)c2cccc(C#N)c2)c2ccccc21"]
["100778538","CC(C)c1c[nH]c(-c2cc(Cl)ccc2F)cc1=Nc1n[nH]cc1C(O)=NC[C@H](C)O"]
["84799004","C=CCN(CC(=O)O)C1CCC(C)(C)c2ccccc21"]
["53148190","CC1CC1N=C(O)c1cccc2cc[nH]c12"]
["181666884","CCCC(=O)C1(OCCOC)CNc2ccccc2C1=Nc1ccccc1C"]
["173395607","CC.CCc1ccc(C(N)=NN)cc1"]
["60944914","O=C(O)c1nc(-c2cccs2)oc1CC1CCCO1"]
["52722612","Cn1ccc(=NC2CCCc3sccc32)[nH]1"]
["MCULE-6666839384","Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(c2nnc(SCc3cccc4ccccc34)s2)C1c1cccc([N+](=O)[O-])c1"]
["135875737","CCOC(=O)CCN(Cc1cccnc1)CC(O)c1c(F)cccc1F"]
["70566653","Cc1c(S(=O)(=O)NC2CCC3NNC(C4CCN(C)CC4)C3C2)sc2ccc(Cl)cc12"]
["125087515","O=C(c1cccnc1)N1CCCCC1C(O)=Nc1ccc(O)c(Cl)c1"]
["115958419","CCCNC(=O)c1nc(C(O)=Nc2cc(Cl)ccc2OC)c2n1CCCC2"]
["170830531","CC(O)=NCC(O)C(O)c1ccc([N+](=O)[O-])c(C)c1"]
["116892805","CCC(NC(CO)c1cc(F)c(F)c(F)c1)c1ccc(Cl)s1"]
["29354188","CCOC(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(C(C)C)cc4)C3)cn2)cc1F"]
["61625673","CCNC(CC)C(C)Cc1cc(F)ccc1F"]
["124636789","Cc1ccc(Cl)c(OCC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1"]
["28937470","OC(=NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1)Nc1ccc(F)cc1"]
["61823919","CCOC(=O)CCNC(=O)c1ccncc1C#CCN"]
["114461103","CCC[C@H](N)C(=O)Nc1ccc(C(C)(C)C#N)cc1"]
["22049395","Cc1ccc(N=C(O)c2nnc(C(=O)N3CCC(C(O)=NCCN4CCN(C)CC4)CC3)s2)cc1"]
["82892086","CC(C)CCC(N=C(O)C1C2C(CN1C(=O)C(N=C(O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NC1CC1"]
["120214347","Cc1nc(N2CCCCC2CCN)ccc1Br"]
["10816091","O=C(NCCc1ccccc1)c1nc(N2CCCC2)ncc1Cl"]
["114939624","Cc1ncc(C(N)c2c(Br)cnn2C(C)C)s1"]
["MCULE-1370297093","CC(=O)N1CCCC1C(O)=Nc1ccc(F)c(-c2ccc(F)cc2F)c1F"]
["86476691","Cc1occc1CN(C)c1cc(NN)nc(C(C)(C)C)n1"]
["MCULE-6879923673","O=C(c1ccc(Cl)cc1)N1CCc2cc(Br)cnc21"]
["145233754","Cc1ccc(C2=CC(=C3N=c4ccccc4=N3)NN2)cc1C"]
["46416750","CCCC(=O)N1CCCN1C(=O)c1ccc2nonc2c1"]
["170688107","COc1cc(C(=O)N(C)C23CC(c4ccc(N5CCCC5)cc4)(C2)C3)cc(F)c1O"]
["MCULE-3406857088","Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CC(C)OC(C)C2)cc1"]
["MCULE-1068996545","CC(O)=Nc1cccc(-c2cccc(N=C(O)C3CCCN3C)c2)c1"]
["57889577","COCC(O)CN(C)CC1Cc2ccccc2O1"]
["177417316","CN(C)S(=O)(=O)c1ccc(NC2=NN(C3(CC#N)CCN(C(=O)O[C@@H]4CCOC4)CC3)C3=CC=NC(=O)C32)cc1"]
["58968586","CCOC(=O)C(C#N)=Cc1ccc2c(-c3c(OCC)ccc4cc(C=C(C#N)C(=O)OCC)ccc34)c(OCC)ccc2c1"]
["197652648","CC1COCC1OC(C)(CCl)CI"]
["168204766","C[C@]1(O)NC(=C(C#N)C=N)[C+](C#N)[C@H](c2ccc(F)cc2)[C@H]1[n+]1ccccc1"]
["MCULE-3772375437","Cc1[nH]c2ccc(C(=O)N3CCCC4(C3)CN(C(=O)c3nccs3)CCO4)cc2c1C"]
["149866847","CCP(C)(=O)OCCCCN(Cc1nc2oc(-c3ccc(C)cc3)c(C(O)=NC)c2cc1C1CC1)S(=O)O"]
["10699827","OC(CCc1nc(-c2cccnc2)no1)=NCc1ccc2c(c1)CCC2"]
["172783000","CSC(C)(C)CC(=O)CN1CCNCC1"]
["74080378","COc1cccc([C@H]2OC(O)=N[C@@H]2c2cccc(C#CC3C=c4[nH]ccc4=NC3)c2)c1"]
["102713792","COC(=O)CSc1nnc(N=C(O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)s1"]
["149534205","CCCOc1cccc(/C=N\\n2c(C)nnc2SCc2ccccc2Cl)c1"]
["169820687","CCCCCCCCCCCCCCCC(=O)N(C(=O)c1ccccc1Br)C1=CC=CC2C(=O)c3ccccc3C(=O)C12"]
["123685896","CN(CC1CCCO1)Cn1ncc2ccc([N+](=O)[O-])cc21"]
["16394498","Cc1cccc(Cn2cccc(C(=O)N=c3cc[nH]c(C)c3)c2=O)c1"]
["194708445","CCCCCCCCCCN.O=P(O)(OCC(F)(F)F)OCC(F)(F)F"]
["78388181","NN[C@@H](CCCCN=C(O)COCCOCCN=C(O)COCCOCCN=C(O)CC[C@H](N=C(O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O"]
["MCULE-8790446310","COc1ccc(CCn2cc(OCCC(C)C)c(=O)cc2CNc2cccc(N(C)C)c2)cc1"]
["MCULE-2285007882","Cc1cc(-c2ccc(F)cc2)cc(C2CCCN2C(=O)CCc2nc3ccc(F)cc3[nH]2)n1.Cl"]
["183857610","Cc1ccc(S(=O)(=O)NC(ON=[N+]=[N-])C(=O)O)cc1"]
["85315981","Cc1cscc1C(O)=NCCCc1c[nH]nc1C"]
["132703942","CN(C(=O)CN=C(O)c1ccc(F)cc1F)c1nccs1"]
["68952255","COc1cccc(C2C(=C(O)c3cccs3)C(=O)C(=O)N2CCN(C)C)c1"]
["182641824","CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCC"]
["111709296","COc1cccc(C(O)C(N)c2ccccc2)n1"]
["134521406","CCCCC(CC)CNC(=O)C(O)=Nc1ccc(Cc2ccncc2)cc1"]
["138031245","CCc1oc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)cc1C"]
["MCULE-5766316108","CCOc1ccc2cnnc(Cl)c2c1"]
["73512470","CC1=C(C(=O)N2CCC(n3c(O)nc4ccccc43)CC2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1"]
["57840845","O=[N+]([O-])c1ccc(N/N=C(\\c2ccccc2)C2OCCC2c2ccccc2)c([N+](=O)[O-])c1"]
["MCULE-3995626532","CC(N=C(O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(O)=NCC1CN(CCc2cccc(Cl)c2)C(=O)O1"]
["MCULE-6623742504","COc1ccc(-c2cc(N=C(O)c3ccnc(N4CCOCC4)c3)cnc2OC)cc1F"]
["486131","COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc(CN)c2)cc1"]
["MCULE-4954492857","Cc1cc(OCC(O)=NCC2(F)CCN(C(=O)c3cncs3)CC2)ccc1Cl"]
["44289573","N#C/C(=C\\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1"]
["77268576","COC(=O)C=Cc1ccc(Oc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])c(OC)c1"]
["32496955","CC1(C)C(C=CC2=C(Oc3ccc(S(=O)(=O)[O-])cc3)C(=CC=C3N(CCCCCCO)c4ccc5ccccc5c4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21.[Na+]"]
["164563186","C=C1N(S(=O)(=O)c2ccc(C)cc2)N2C=Nc3ccccc3[C@@H]2[C@]1(Cc1ccc(C)cc1)C(=O)OCC"]
["161038580","CC1CCCc2nc(S(=O)(=O)NC3CCC(N(C)C)CC3)cn21"]
["125254356","COCCC1(C(O)=NCCCc2cc(N)n(-c3ccccc3)n2)CCC1"]
["171188530","CC1(C)COC(O)=N[C@@H]1c1ccccc1SC(F)(F)F.Cl"]
["133106134","Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCCCC(C)C1"]
["17284689","CN(C)c1ccc(CCCNC(=O)c2cccs2)cc1"]
["MCULE-3788749619","COc1ccc(-c2c(F)cccc2N=C(O)C(C)CC(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1OC"]
["54781899","Cc1c(O)nc2cc(N(C)C)ccc2c1C"]
["94880772","CC[C@H](CO)NS(=O)(=O)c1ccc(F)c(C#N)c1"]
["MCULE-3897488461","CCN(CCO)CCC(=O)c1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1"]
["MCULE-5169569571","CC1(C)CCN(C(=O)c2ccc3cccc(Br)c3n2)C1"]
["57901825","N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N=C(O)C1CCC(=O)C1"]
["47366421","CN(C(=O)OC(C)(C)C)C(CCCC(=O)O)Cc1ccc(Cl)cc1"]
["65865827","OC(=NCC1CCCC1O)c1cnsn1"]
["MCULE-7459100474","Cc1cc(OC(C)C(O)=NC2CCS(=O)(=O)C2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1"]
["MCULE-6637041656","COc1cc(-c2ccco2)ccc1CC(O)=Nc1cncnc1"]
["2661503","OC(CN=C(O)C1(NC(O)=NCc2ccccc2)CCCC1)=NCc1ccco1"]
["53102749","COC(=O)c1ccc(-c2ccccc2S(=O)(=O)N(COCC[Si](C)(C)C)c2onc(C)c2C)c(CCCF)c1"]
["48311804","ClCc1cnc(C2COc3ccccc3O2)[nH]1"]
["2414462","CCOC(=O)c1ccccc1-c1csc(N(C(O)=Nc2cccc(Cl)c2)c2ccccc2)n1"]
["46127609","CCCC(CCC)(CCC)[N+]C"]
["128167912","COCCn1cc(C(O)=NC2CCN(CCOC(C)C)CC2)c2ccccc21"]
["85366671","CNC1C(CN2CC(C)OC(C)C2)CCCC1(C)C"]
["42847567","CC(Sc1ccc([N+](=O)[O-])cc1)C(O)=NCCCN1CCN(c2ccccc2)CC1"]
["16005112","O=C(c1cncc(Br)c1)N(CC1CC1)C1CC1"]
["MCULE-9113518628","CC(=O)c1ccc(OCC(O)=Nc2cc(F)ccc2C=Cc2ccccc2)cc1"]
["110787059","CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)c(C)c1"]
["34036506","C[C@@]12CC[C@@H](C[C@H]1N)C2"]
["181398852","CCCCCC(CN=[N+]=[N-])C(=O)CCC(C)CC"]
["MCULE-5383730214","COc1cc(-c2c(C)cccc2C(O)=Nc2ccccn2)ccn1"]
["173633272","Cc1cc(-c2nc3cc(F)c(F)cc3[nH]2)cnn1"]
["165417280","CCC(C)N=C(O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1"]
["106429983","CC(C)[C@H](NC[C@@H](C)O)[C@@H](O)c1ccc(Cl)cc1"]
["172685890","CCCCCCCCCC(CC(C)C)NC(C)C"]
["153914068","O=C(/N=c1/ccccn1Cc1ccccc1)c1cccnc1"]
["197078440","CN1CNNC1C(F)(F)[C@](C)(F)C1CCCC(N2CC3C(CC(C4CNCC(F)C4)CC3C(F)(F)F)C2=O)C1"]
["68123961","CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1"]
["171510188","CCCCCCCCCCC(=O)C(=O)SC(CC)CC[Si](OCC)(OCC)OCC"]
["113415454","CC(C)c1nc(O)cc(-c2cccc(OC3CC3)c2)n1"]
["MCULE-1821010071","COc1cc(C#N)cc(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2C)c1"]
["MCULE-2486969188","COC(=O)c1ccc(C)cc1-c1cccc(C)c1F"]
["177560928","Cc1ccc2c(c1)C1(C3=C2C=CC#CC3)c2cc(C)ccc2-c2cccc(B3OC(C)(C)C(C)(C)O3)c21"]
["56586285","N=c1cc(COC2CCC2)cc[nH]1"]
["133649333","O=C(NC1CCN(c2ccc(Cl)cc2)C1=O)c1n[nH]c2ccc([N+](=O)[O-])cc12"]
["MCULE-5629415385","COC(C(=O)Nc1cc(-c2ccc(OC(C)C)cc2)ccc1C#N)c1ccccc1"]
["MCULE-5740036714","COc1c(F)c(F)cc(C(O)=Nc2cc(C)cc(-c3cc(F)ccc3F)c2)c1F"]
["131350049","Cc1ccccc1N=C(O)N1CCC(C(=O)N2CCCCCC2)CC1"]
["111911372","O=C(O)C1CCC(C(O)=Nc2cc(Br)ccc2F)C1"]
["162826384","Nc1cccc(Br)c1CCCCl"]
["128173146","COc1cc(CN(C)C(=O)C=Cc2cnn(-c3ccccc3)c2)ccc1O"]
["198576285","CN=c1cc(Nc2cccc(-c3ccc(C(=O)N(C)Cc4cccn(C)c4=O)nc3OC)c2OC)c(C(=O)NC)n[nH]1"]
["153420421","C[C@H]1C(c2cccs2)=CC=C(C=O)[C@H]1c1ccc([N+](=O)[O-])cc1"]
["MCULE-1282180637","CN1CCC(N=C(O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2OC(F)(F)F)CC1"]
["21433400","COc1ccc(OC[C@H](O)Cn2c(=NCC(C)C)[nH]c3c2c(=O)n(C)c(=O)n3C)cc1"]
["MCULE-8185625868","CCOc1cccc(C(O)=NC(C)(CC)C(=O)N2CCC(Cc3ccccc3)CC2)c1"]
["138656760","CC(c1nc(-c2cccnc2)no1)N1CCC(Nc2ccccc2)C1"]
["163201719","N#CCc1ccc(C#N)c2c(I)csc12"]
["135477988","COC(=O)C1CCCN(C(O)=NCCC2CCN(CC(F)(F)F)CC2)C1"]
["MCULE-9798748707","CCCOC(=O)c1cccc(N=C(O)Nc2ncccc2OC(C)C(=O)Nc2ccc(CC)cc2)c1"]
["MCULE-4301518496","CCCCCCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN(CC)CC"]
["196543896","CO[Si](CCc1ccc2c(c1)CO[SiH2]O2)(OC)OC"]
["1599787","CCOC(=O)N1CCN(C(=O)CN=C(O)CCc2ccccc2Cl)CC1"]
["177495278","O=C(Nc1c(-c2coc3ccccc23)ccc2ccccc12)c1ccc(Br)cc1"]
["MCULE-8843072585","COc1ncccc1-c1cc(F)cc(C)c1N=C(O)Cn1cc(C)cn1"]
["161870939","CC1=CC(c2ccc(N)c(C)c2)=CC(C)(C)C1N.Cl.Cl"]
["MCULE-2483404299","Cc1nn(Cc2ccc(F)cc2)c2c1C(c1ccncc1)C(C(=O)N1CCC(O)CC1)=C(N)O2"]
["MCULE-9914960904","COc1ccc(-c2cnc(N3CCN(C(=O)c4ccccc4)CC3)cc2C)c(OC)c1OC"]
["52017889","C[C@@H](/C=C/CCO)[C@]1(O)C(=O)N(Cc2ccc(N3CCCCCCC3=O)cc2)c2ccccc21"]
["118008808","COC(=O)C1CCN(C(=NCc2cccs2)NCc2nnc(C)n2C)CC1.I"]
["7815499","CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21"]
["31542033","COCCCn1c(C(=O)N(CC2CC2)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21"]
["150594974","C=COCCCCC(C)(C)OCCCC(C)OC=C"]
["194609710","Cc1cc(C(=O)O)c2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)oc2c1"]
["121907733","Cc1cnn(CCC(O)=NC[C@@H]2CCN(C)c3ccccc32)c1"]
["53574380","CCOC(=O)c1c(-c2ccc(C)cc2C)csc1N=C(O)c1c(C)cc(C)cc1C"]
["174950728","CC.CCC.CN=C/C(C)=N\\N"]
["163832539","COCCN1CCN(C(O)=NCc2nc(C3CCCO3)n[nH]2)CC1C"]
["98555578","CCOC(=O)C1CCCN(CC2OC(c3ccc(Cl)c(Cc4ccc(C)cc4)c3)CC(O)C2O)C1"]
["175289526","CCC=CC(C)CC=CC=CCCCC"]
["15706039","CCNS(=O)(=O)CCN=C(O)N[C@H](C)c1ccc(NC(=O)CC)cc1"]
["187404525","CC(NCCCCCCCCCCCCCCCC(=O)O)C(=O)S"]
["14729968","Cc1onc(-c2cccc(Br)c2)c1C(O)=NCc1ccccc1"]
["30110248","COc1ccc2cc([C@H]3CCCN3C(C)c3ccc(C(=O)NCCC(=O)OC(C)(C)C)cc3)ccc2c1"]
["27095501","CC(C)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(NCCC#N)c2)c(Cl)c1"]
["191117889","Cc1noc(C)c1-c1cc(-c2c(C(F)(F)F)ccc3ncccc23)c2[nH]c(O)nc2c1.Cc1noc(C)c1-c1cc(-c2c(C(F)(F)F)ccc3ncccc23)c2[nH]c(O)nc2c1.Cc1noc(C)c1-c1cc(-c2c(C(F)(F)F)ccc3ncccc23)c2[nH]c(O)nc2c1"]
["66101670","CCCCCCCCC1(S(=O)(=O)c2ccccc2)CC(O)(CCCC)C1"]
["155459173","Nc1ccc2oc(-c3nc4cncc(Cl)c4[nH]3)cc2c1"]
["199882834","Oc1nc2cc(CCl)cnc2cc1C1CCCO1"]
["86317384","CCCN=c1nc(OC(C)C)[nH]c(=NCC2CCOC2)[nH]1"]
["30153833","C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CN)c4ccc(C(F)(F)F)cc4F)CC3)c21"]
["139150530","Cc1ccc(OC(C)C(O)=NCCCN=C(O)OC(C)(C)C)cc1"]
["111344133","CCCC(C)OC(=O)CCC(C)CCN"]
["119066093","CC(NCC(O)CN1CCCC1)c1ccnc(Cl)c1"]
["110048496","CCCCN1C(=O)c2ccc(C(O)=N[C@@H](C)c3ccc(N4CCN(C)CC4)cc3)cc2C1=O"]
["109730296","C[C@@H]1OCC[C@H]1C(O)=N[C@H](c1c(F)cccc1F)C(F)(F)F"]
["102939877","C[C]1C=C=CC(C)=C1.[I-].[Pd]"]
["186073781","c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)cc4)c23)cc1"]
["134590763","Cc1ccc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)cs2)c(C)n1"]
["137393862","CC(C)c1nnc2n1CC(NC(O)=NC(C)c1ccc(F)c(F)c1)CC2"]
["28189139","CCC[C@H](N=C(O)c1ccc(C(=O)N2CC=CC2)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1"]
["86162005","CC(C)C(NCc1cccc2c1NCC2)c1ccccc1"]
["112530883","CC1(C)[C@H](C(=O)O)[C@@H]1C(O)=NCc1ccccc1[N+](=O)[O-]"]
["187934640","OC1C(N2CCc3ccccc3C2)[C@@H]2C[C@H]1N(Cc1ccccc1)C2"]
["179270063","Cc1nc2cc(NCC(CN3CCN(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)CC3)C3CC3C)ccc2s1"]
["116568897","CN=C(NCC(C)c1cccs1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1"]
["150673839","CN(c1ccccc1)c1ccc(-c2cccc3c4ccc(-c5cccc(N(c6cccc(-c7ccccc7)c6)c6cccc7c8ccccc8n(C)c67)c5)cc4n(-c4cccc(-c5ccccc5)c4)c23)cc1"]
["112922385","CN=c1nc2sc(C)cc2c(NCC2CCCN2C)[nH]1"]
["11705070","OC(=NC(=S)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1OCCc1ccccc1"]
["151474801","CN1CCC[C@@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1"]
["112908764","CCc1ccc(CN=c2cc(N)nc(C(C)(C)C)[nH]2)s1"]
["76182935","NC(OC(=O)/C=C/C(=O)OC(N)C(O)=NC1CCC(O[N+](=O)[O-])CC1)C(O)=NC1CCC(O[N+](=O)[O-])CC1"]
["110411783","CCSC1(SCC)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C"]
["61515521","CCN=c1scc(-c2cccc3ccccc23)n1N=Cc1cccc(F)c1"]
["66823119","CCOc1ccc(C(=O)OCC(O)=NC2(C)CCS(=O)(=O)C2)cc1"]
["MCULE-8482308307","CCCOc1ccc(C(C)n2nc(C(C)C)c(P(=O)(OCC)OCC)c2Cl)cc1"]
["15509546","Cc1ccc(-c2nc(C)c(C(=O)N(CC(=N)O)C3CCCC3)s2)c(C)c1"]
["6820350","CS[C@H](C)c1cccc(NC(O)=NCC(O)=NCCc2ccccc2)c1"]
["132812840","OC(=NCCCN=C(O)c1cc(C(F)(F)F)ccc1F)c1cccc(O)c1"]
["187135960","CCC(CC)CN1CCC[C@H](Cn2c(O)nc3cc(-c4cc(OC)c5ncnn5c4)c(C(C)C)cc32)C1"]
["MCULE-5007548064","COc1nccc(=NC(=O)c2ccncc2-c2ccccn2)[nH]1"]
["64124808","Cc1nn(CC(O)=Nc2n[nH]c(-c3ccccn3)n2)c(C)c1Cl"]
["16193765","COC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1"]
["70551271","COC(CCCCC=C1CCC(C)(C)CC1O[Si](C(C)C)(C(C)C)C(C)C)OC"]
["60539466","Cc1oc(C)c(C(O)=Nc2cccc(C3SCCCS3)c2)c1C"]
["185587222","CC(C)CCCCCN=C(O)Oc1ccccc1"]
["MCULE-3177046680","O=C(Cc1cccc(-c2cccc(F)c2)c1F)N1CCN(Cc2ccncc2)CC1"]
["MCULE-2295876513","OC(Cn1ccnc1)=Nc1ncc(-c2cncc3ccccc23)nn1"]
["180457","Cc1cccc(-c2nc3ccccc3c(=Nc3ccc4nn[nH]c4c3)[nH]2)n1"]
["66877626","CCCCC(C)(C)c1ccc(Br)cc1F"]
["134387520","COC(=O)c1ccc(NC(=O)N2CCCC(c3nnc4ccccn34)C2)cc1C"]
["186589771","CCCCC(O)CC1=CCC2(N)C(CCC3(C)C(c4cccnc4)=CCC32)C1"]
["106674415","Cc1ccc(N=C(O)N[C@]2(CO)CCCN(Cc3ccccc3)C2)cc1Cl"]
["MCULE-2510548141","COc1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1"]
["172232818","CCOC(=O)CCCCC1C=CC=CC=N1"]
["48534395","CNCc1cccc(CN(C)Cc2ccsc2)c1"]
["MCULE-3043568811","Cc1cccc(OCCOc2cn(CCCN(C)C)c(CNc3ccc(C)cc3C)cc2=O)c1"]
["155899078","C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3ccc(F)cc32)N1"]
["MCULE-6677188320","CCc1nn(-c2ccccn2)c2c1C(c1cc(OC)ccc1OC)C(C(O)=NC1CCCCC1C)=C(N)O2"]
["78539369","CC(CCCOS(C)(=O)=O)C1CC[C@H]2C3[C@H](OCCCN=[N+]=[N-])CC4C[C@H](OCCCN=[N+]=[N-])CC[C@]4(C)[C@H]3C[C@H](OCCCN=[N+]=[N-])[C@]12C"]
["MCULE-2788731407","N#Cc1cncc(-c2ccc(C(=O)N3CC(=O)C3)s2)c1"]
["MCULE-8387056366","COC(=O)c1cscc1N=C(O)[C@H]1CCCCN1C(=O)OCc1ccccc1"]
["128291354","CC(O)C1CCN(C(=O)C=Cc2ccc3c(c2)OCO3)C1"]
["65726687","O=C1C(=O)N(C[C@@H](O)COc2cccc3ccccc23)C(=O)C(=O)N1C[C@@H](O)COc1cccc2ccccc12"]
["174510438","CCCCc1c2ccccc2c(CCCC)c2c(F)c(F)c(F)c(F)c12"]
["127052643","O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)C(=O)NC1CCCC1"]
["CSSS20621774706","CCN(C)CCC1CCN(c2oc(CNC(=O)c3cc(C)c(F)cc3Cl)nc2C#N)CC1"]
["152328718","CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C"]
["78503366","CCC(O)=NCCCCCC(=N)O"]
["167029713","CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ccccc2N(C)C)C1"]
["49227080","Cc1c(C(=O)O[C@@H](C)C(O)=Nc2ccc(Cl)cn2)sc2ccccc12"]
["140435344","COc1cc(C)ccc1CN=C(O)N(C)Cc1ccccc1O"]
["194048365","CCOC1(C)Oc2cccc(OCCO)c2O1.OCCOc1cccc(O)c1O"]
["178351550","Cc1ncsc1-c1ccc(CN=C(O)C2(C)C[C@@H](O)CN2C(=O)[C@@H](N=C(O)COCCOCCOCCN=C(O)C[C@@H]2N=C(c3ccc(N)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]
["4864577","COC(=O)c1cccc([N+](=O)[O-])c1C(O)=Nc1cc(C)ccc1C"]
["155247598","Cc1cc(Br)cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12"]
["120746653","Cc1ccc(CCCC(=O)N(C)CC2(CN)CC2)o1"]
["107495216","Cc1cc([C@H]2CCNC[C@@H]2C(=O)O)cn1C"]
["147119905","CN(CCC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1"]
["78340474","CC(C)(C)CN1CCN(C(=O)CCC(C)(C)SCC(O)=NCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)CC1"]
["181577469","CCC(CC)S(=O)c1cc(C)c(C(=O)N=[N+]=[N-])cc1S(C)(=O)=O"]
["MCULE-3357358818","CCC(C)C(C(O)=Nc1ccc(F)c(F)c1)N(CC(O)=NCc1ccco1)S(=O)(=O)c1ccc(F)cc1"]
["126400189","Cc1cc(C(=O)NCC2(c3ccccc3C)CC2)ccc1-n1cncn1"]
["101848112","CCN(CC)CCN(C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C)cc2s1.Cl"]
["75814016","CC1(C)CCC(CN2CCN(c3ccc(C(O)=NS(=O)(=O)c4ccc(OCC5C[C@@H]6C[C@H]5[C@@H](O)[C@H]6O)c([N+](=O)[O-])c4)c(Oc4c[nH]c5nccc-5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1"]
["139155376","COc1ccc(N=C(C)O)cc1N=C(O)C(C)NC(C)c1ccncc1"]
["174923978","O=C(CN=C(O)C1(NCCN=C(O)CCCN2C(=O)C=CC2=O)CC1)Nc1ccc(C(O)=Nc2ccc3[nH]c(C[N+]4([O-])CCc5c4cc(O)c4ccccc54)cc3c2)cc1"]
["58362584","CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2ccc(C)s2)c1C"]
["109888611","CCC(O)=N[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)C1"]
["MCULE-3596214744","CCCCOc1ccc(C2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC"]
["180018713","CNc1c(C=[NH2+])cccc1N1CCN(S(C)(=O)=O)CC1"]
["MCULE-7294225007","COc1ccc(-c2ccc(C(=O)N=c3ccnc(OC)[nH]3)c(F)c2)c(OC)c1"]
["166981792","c1ccc2c(c1)COC1(CCNC1)CN2CC1CCCC1"]
["7324654","Cc1nn(CC(O)=NCc2nc(-c3ccncc3)cs2)c(C)c1Cl"]
["26835694","O=C(O)C(=O)CC(=O)c1ccsc1Cc1ccc(F)cc1"]
["99473190","CCCCCCCCCCc1ccc(C2=C(CCCCCCCC)C(CC)=C(c3cccc(CCCCC)c3)[N+]2=[N-])cc1"]
["102692130","Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1"]
["162776964","CC(C)C(=O)N1CCOCC(Br)C1"]
["29664259","CC(C)c1nc(CCOC(=N)O)n(Cc2ccncc2)c1Sc1cccc(F)c1"]
["82125549","CCN(C(=O)C(C(=CC(=O)O)C(=O)O)C1CCN(C)CC1)c1ccc(Cl)cc1"]
["156532355","Cc1sc2ncnc(SCCC(=O)N3CCOC4(CCC4)C3)c2c1C"]
["83955153","Cc1ccc(S(=O)(=O)N[N+](=O)[O-])cc1[N+](=O)[O-]"]
["85958398","CCNC(COc1ccc(F)cc1F)C(C)CC"]
["27192437","COc1ccc(Cc2c[nH]c(=N)[nH]c2=N)cc1-c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1"]
["196357269","COc1cc2c(c(OC)c1OC)-c1cc(C)c(OC)c(=O)c(Br)c1[C@@H](N=C(C)O)CC2"]
["75407822","COc1ccc(C(=O)CN2C(=O)N(C3CCCCC3)CC(C(=O)NCC(=O)O)=C2OO)cc1"]
["176657928","[B]C([B+])([B+])N(C(=O)[C-]1CC(C(=O)N(c2ccc(C3=CC=c4c(ccc5c4=C[CH-]C=C5)[N-]3)cc2)C([B+])([B+])[B+])CC([C-]([O-])N(c2ccc(C3=CC=c4c(ccc5c4=CCC=C5)[N-]3)cc2)C([B+])([B+])[B+])C1)C1=CCC(=C2C=CC3=C(C=C)C(=C=C)C=C[C-]3[N-]2)C=C1"]
["73493456","Cc1n[nH]c(C)c1-c1cc2c(ccn2C)nc1[C@H](C)N"]
["142667941","COCCN(C)S(=O)(=O)N1CCCC1(C)Cc1ccccc1"]
["51524041","CCN(Cc1ccc(F)cc1C(=O)O)C(C)COC"]
["60997642","CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3[C@](C)(CO)[C@@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)CC[C@]3(C)[C@@H]12"]
["111183355","NCC#Cc1ccnc(NC(O)=Nc2ccccc2F)c1"]
["111198010","CC1OC(C)C(C(Cl)c2cc(Br)c(Cl)s2)C1C"]
["18966599","O=C([NH2+]CCCN1CCOCC1)c1ccc(CN2CCCCC2)o1"]
["47333197","C[C@@]12CCN(CCO)[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]
["121491162","CCc1cccc(CC(=O)N2CCC(C)(O)CC2)c1"]
["171645225","N=C(O)c1cc2ncccc2c(Br)c1N"]
["175624995","C=C1/C(=C(/O)C(C)C)C(=O)C(C)[C@@H](C)CC1(C)CC=C(C)C"]
["96876270","CC(C)[Si](Oc1ccc2c(c1)C[C@H]1OCC3[C@H]1[C@@]2(C#N)CCCC31OCCO1)(C(C)C)C(C)C"]
["122412803","CC1(C2CCCN(Cn3nc(C(F)(F)F)ccc3=O)C2)OCCO1"]
["128120938","COCCCS(=O)(=O)NCCN1CCC(CN2CCCCC2)C1"]
["20204746","O=C1CCCCCN1CC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1"]
["MCULE-2556344159","CCOc1cccc(-c2cc(C#N)ccc2N=C(O)c2ccc(F)cc2F)c1"]
["MCULE-5708872792","CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cn(C)cn2)cc1C#N"]
["MCULE-7128816697","COc1ccc(CCN=c2nc(N(C)CCO)[nH]c(=Nc3ccccc3C(C)C)[nH]2)cc1OC"]
["188753578","CC(Cl)(Cl)C(C(O)=Nc1ccc(Cl)c(C(O)=Nc2ccc(F)cc2F)c1)c1cc(C(F)(F)F)ccc1Cl"]
["152196344","CCCC[C@H](C(=O)OCC(O)=Nc1cc(C)cc(C)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O"]
["MCULE-4917512559","Cc1cc(F)ncc1-c1ccc(F)cc1N=C(O)C1CC(F)CN1C(=O)OC(C)(C)C"]
["18561415","N#CCOc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1"]
["MCULE-5720807656","CN(C)Cc1ccc(-c2cc(C(=O)N(C)Cc3ccncc3)c(F)cc2F)cc1"]
["126136263","COc1ccc(CN(C)C(=O)C(C)Nc2ccc(F)c(C)c2)cc1F"]
["85014780","CCOc1ccccc1C1CNC(=N)N1Cc1cccs1"]
["MCULE-4809510889","COCCN=C(O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)C1c1cccc(F)c1"]
["65605431","C=CCn1c(O)c2ccc(C(=O)N(CC(=N)[O-])Cc3ccc(Br)cc3)cc2nc1=S"]
["132476156","COc1ccc(C(O)CNS(=O)(=O)CCc2ccccc2)cc1"]
["14378499","C=CCO[C@@H](C)C(O)=N[C@H]1CCCN(S(C)(=O)=O)C1"]
["151357686","C[C@@H]1C=C[C@@H]2C(=O)N(C)C(=O)[C@H]2[C@@H]1C(=O)OCc1cccc2cccnc12"]
["60988725","O=C(Nc1ccc(SCC(O)=Nc2ccccc2Cl)cc1)/C(=C/c1ccccc1F)N=C(O)c1ccccc1"]
["172241170","C=CC(=O)C(CCCCCNC)NC"]
["70325907","COc1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)c(C)c1"]
["196515273","[2H]C([2H])([2H])Oc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(OCC(F)F)nc23)cn1"]
["110190479","O=C(Nc1ccc(Br)cc1)C1CCN(CCC(O)=Nc2ccccc2F)CC1"]
["107167083","O=[N+]([O-])c1cccc([C@H](O)CCNCc2ccncc2)c1"]
["172693651","CS(=O)(=O)c1n[nH]c(N2C=CSC2c2ccc3c(c2)CCO3)n1"]
["182846816","[N-]=[N+]=NC1=CC(C2CC2)N(Cl)N1"]
["174584527","CC.CC/C=C(\\NC(C(C)=O)C1CCCCC1)OC(C)(CCC)NC.CCCCCC"]
["159359908","CC(C)(C)OC(O)=NCCN1c2ccccc2CC[C@H]1c1cccc2ncccc12"]
["65844998","O=C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O"]
["56027591","CCCN1CCCC(C)C1CN"]
["154468274","CCOC(=O)c1c(/N=C\\c2cccc(Oc3nc(Cl)ncc3F)c2)sc2c1CCCC2"]
["MCULE-1042455773","Cc1cc(C(=O)Nc2cc(-c3cccnc3OC(C)C)ccc2F)on1"]
["152784521","CCOc1cc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc(Br)c1OCc1ccc(F)cc1"]
["196338555","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(CC(O)=NC(CO)C(O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCCCCC"]
["163000989","CC[C@@H](O)c1cc(C)c(C)cc1F"]
["93271297","CCN=C(O)CCOc1c(F)cccc1CNCCOC"]
["124430487","COCc1ccccc1C(O)=NCC(O)c1cccc(OC(C)C)c1"]
["10601972","Cc1occc1C(O)=Nc1cc(NC(O)=NCC(=O)N2CCCC2)ccc1F"]
["20010623","CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4cccnc4Cl)CC3)nc2)no1"]
["MCULE-5355531784","CCCN(CCC)Cc1cc(=O)c(OCC(=O)Nc2ccc(C)c(C)c2)cn1CCCN1CCOCC1"]
["174556071","CCN(N)c1ncnc2c1ncn2C1OC(COP(=O)(NC2(C(=O)OC3CCCC3)CC2)Oc2ccc(Cl)cc2)[C@@H](O)[C@@]1(C)O"]
["115376311","CCN(CC)C(O)=NCCCc1oc(C(C)(C)C)nc1C"]
["MCULE-4865708846","O=C(c1ccon1)N1CCc2cc(-c3cc(F)ccc3F)cnc21"]
["58550506","CCC[NH+]1CCN(CC(=O)[NH2+]c2ccc(C(C)C)cc2)CC1"]
["46261924","CC(C)C(NC(=O)c1cccs1)C(=O)OCC(O)=Nc1c(Cl)cccc1C(F)(F)F"]
["110744665","CCOc1ccccc1OC(=O)C1CCN(C(=O)/C=C\\c2ccccc2)CC1"]
["50184865","Cc1c(Cl)cccc1N=C(O)CN=C(O)Cc1ccc(N2CCCC2=O)cc1"]
["MCULE-9410649271","O=C(c1cnc2ccc(Br)cn12)N1CCn2c(nnc2C(F)(F)F)C1"]
["115251405","CCCNc1ncnc(N2CCC(C(O)=NC)CC2)c1Br"]
["90889077","CCC(C)C(N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(NS(C)(=O)=O)cc1"]
["16579826","N#Cc1ccccc1/N=C1\\CCCN1c1cccc(Cl)c1"]
["27339627","COc1ccc(C(=O)N2CCSC2C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1S(=O)(=O)N(C)C"]
["132161707","CCc1ccc(CC(O)=Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1"]
["124984874","CC(=O)CCc1ccc(OCC(O)=NCC2(O)CCCCCC2)cc1"]
["186249832","C[C@H](N=C(O)OC(C)(C)C)C(=O)N1CCC(c2nc(C3(CN[C@@H]4C[C@H]4c4ccccc4)CC3)no2)CC1"]
["29677345","CN=C(O)NCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1"]
["97798997","C#Cc1ccccc1-c1ccccc1C#Cc1c(-c2ccccc2C#C)ccc2ccccc12"]
["115109623","CCNCc1cc(C)ccc1N1CCN(S(C)(=O)=O)CC1"]
["MCULE-2214470341","CCOC(=O)N1CSCC1C(=O)Nc1cc(C)c(-c2cccs2)c(C)c1"]
["120212102","Cc1ccc(-c2nc(Cl)nc(C)c2[N+](=O)[O-])cc1C"]
["56825421","O=C(O)c1cc(N2CCCCCC2=O)ccc1Cl"]
["33992426","O=C(C(CNc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCc2ccccc21"]
["14925419","CN1C[C@H](C(=O)c2ccccc2O)C=C1C1=NC(=O)[C@H]2SC=CC2=N1"]
["MCULE-9771369292","COc1cc(-c2ccc(CCC(O)=NC34CC5CC(CC(C5)C3)C4)c(F)c2)ccn1"]
["MCULE-8761794472","COc1cccc(CCC(=O)Nc2ccc(-c3ccccn3)cc2C)c1"]
["125845540","Cc1nn(C)c(C)c1S(=O)(=O)N=C(O)c1cnn(Cc2ccccc2)c1C"]
["195136338","Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccccc1-c1cc(-c2cccc(-c3ccccc3Nc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)ccc1C"]
["32486072","CCOC(C)O[C@@H]1C=C2C#C[C@]3([C@H]4COC(C)(C)O4)O[C@@H]3C#CC[C@@]2(O)[C@H]1O[Si](C)(C)C(C)(C)C"]
["143232672","OC(=NCc1ccnc(OC2CCOC2)c1)NC1CCc2n[nH]cc2C1"]
["186565308","c1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1"]
["168947041","CCOC(=O)C(C)(C)C1(O)CCNCC1.Cl"]
["111774311","COc1cc(NC2CCC23CCCCC3)c(Br)cc1Br"]
["63892045","CC(/C=N\\N=C(O)c1nnn(-c2nonc2N)c1C(C)C)=C\\c1ccco1"]
["107072294","CSc1cccc(NC[C@@H]2CCN(c3cc(F)ccc3F)C2)c1"]
["33774106","CS(=O)(=O)OCCCc1ccc(OS(C)(=O)=O)cc1"]
["151274086","Cc1ccc(-c2ccc([C@@H]3c4sc(O)nc4S[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)o2)cc1"]
["4836729","C[C@@H](N=C(O)CCCc1nc2ccccc2s1)c1ccc(Cl)cc1"]
["169924678","N#Cc1ccc2c(c1)OCCCCn1cnnc1-c1cccc(n1)N=C2O"]
["25456326","CCOc1cnc(C(C)C)o1"]
["98826702","C=C(c1cccc(Br)c1)c1cccc(OC(C)C)c1C"]
["MCULE-2514837026","CCCc1ccc(-c2cc(C(F)(F)F)cnc2NC(=O)c2cscn2)cc1"]
["28153209","CCCCCS(=O)(=O)N1c2ccccc2N=C(O)C1CC(O)=NC(CCCN=C(O)OC(C)(C)C)C(=O)N1CCCC1"]
["129467233","COC(=O)COc1cccc(N=C(O)N2CCCCCC2)c1"]
["152944083","Cc1[nH]c2ccc(F)cc2c1CC(O)=N[C@H](C)c1n[nH]c(CC(=O)O)n1"]
["105708091","Cc1ccc(F)c(C(O)=NC[C@H]2CCCN2)c1"]
["53512052","Cc1cc(C)c(N=C(O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)c(C)c1"]
["45014378","CCOc1ccc(-c2noc(CCC(=O)N(C)Cc3ccc(C(=O)NC4CC4)cc3)n2)cc1"]
["88090241","CC1CNCc2cccc(N3CCCNCC3)c21"]
["144316646","c1ccc(CCN2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc1"]
["17603608","C[C@@H](c1cccc(N=C(O)c2ccccc2)c1)N(C)C[C@H](C#N)CCC#N"]
["137363319","FC(F)(F)Oc1ccccc1CN1CCN(CC2CCOCC2)CC1"]
["175540425","CO.COc1cc(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)c(C=O)c2)ccc1S(N)=O"]
["125909082","COCC(C)(CCO)N=C(O)c1cccc([N+](=O)[O-])c1C"]
["91055332","CC(C)Cc1ccc(C#Cc2ccc(F)c(F)c2)cc1"]
["31451596","COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](N)CN=C(O)Nc3ccc4c(c3)OCCO4)C2)nc2ccccc21"]
["196157946","CCCCCCC/C=C\\CCCCCCCC(O)=NC(CS(=O)(=O)O)C(O)/C=C/CCCCCCCCCCCCCCCCCCC"]
["110942648","O=C(O)C1CCCN(C(=O)c2cccnc2OCC(F)(F)F)C1"]
["913752","COc1cc(C(O)=NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl"]
["148635916","CN(C)CC=CC(O)=Nc1ccc(C(O)=N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)c(F)c1"]
["174845493","CCCCCCCCCC1CCCCC1.c1ccccc1"]
["127987967","C[C@@H]1CN(CC(O)=Nc2ccccc2N2CCCC2=O)C[C@H](C)O1"]
["196858232","CC1(C)c2ccccc2-c2c(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5c4oc4ccccc45)c3)cc3ccccc3c21"]
["119151951","Cc1ccc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)cc1"]
["CSSS20766270791","O=C(/C=C/c1ccc(Br)o1)N1CC(n2cc(CN3CC(CC4CCC4)C3)cn2)C1"]
["164177581","CC1N=Nc2cccnc21"]
["176039119","CC(C)(CO)COC(=O)C(C)(C)COC(=O)c1cc(C(=O)O)cc(C(=O)OCC(C)(C)COC(=O)C(C)(C)CO)c1.CC(C)C.CCC"]
["172886257","COC(=O)c1cc(C2C=CCN2B(C)O)c2nc(N3CCOCC3)cnc2c1"]
["175326019","C=C=C(Cc1ccccc1OC)C1C(Cc2ccccc2OC)=CC(C=O)N1Cc1ccccc1"]
["26481870","c1ccc(CC2NCCC3=C2CNC3)cc1"]
["102417068","O=C(Nc1ccc2c3c(cccc13)CC2)C1=C(c2ccccc2)c2cc(Cl)ccc2N(Cc2ccccc2)S1(=O)=O"]
["89900480","COc1ccc(CNC(=O)c2cc3c(Br)cccc3o2)cc1"]
["76806888","CC12CCCCC1COB(c1ccccc1)O2"]
["91031758","Cc1c(C)c(N=C(O)CCCCCCCCCCCCCCCCCCC=O)c(C)c(C)c1N"]
["137203450","c1ccc(CCCOC2CCN(Cc3ccon3)C2)cc1"]
["172906859","C=Cc1ccc(OC(F)(F)F)c(-c2cnn(S(=O)(=O)C(C)C)c2)c1"]
["3964773","C[C@@H](C[NH+]=C(O)CCCOCc1ccccc1)N(C)C1CC1"]
["106583134","C[C@@H](N=C(O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1"]
["MCULE-5123026128","COc1ncc(-c2ccc(C(=O)N3CCCC3)cc2)cc1N=C(O)C1CC(=O)N(C)C1"]
["9153391","CC([O-])=N[C@H]1[C@H](O[C@H](C)C(=O)O)[C@H]2OC(C)(C)OC[C@@H]2O[C@H]1Sc1ccc(Br)cc1"]
["49992752","Cc1ccccc1C(O)=Nc1ccc(C(=O)O)c(O)c1"]
["66338870","CCOC(=O)c1ccc(N=C2S/C(=C\\c3cc(I)c(OCC)c(OCC)c3)C(=O)N2C)cc1"]
["82259040","C=CCn1c(=O)n(C(F)(F)F)c(=O)n(C(F)(F)F)c1=O"]
["93299218","Cc1cccc(CC(C)N)c1OCc1ncccn1"]
["140830095","CC1(C)CN(C(=O)C=Cc2ccccc2OC(F)F)CCN1"]
["196083402","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C"]
["125930170","CC(C(=O)N1CCc2ccc(C(C)(C)C)cc2C1)S(C)(=O)=O"]
["MCULE-5892560185","CCCOc1cccc(-c2cncnc2N=C(O)C2CCCc3ccccc32)c1"]
["60480217","COc1cc([C@H]2Oc3cc(O)ccc3C(=O)[C@@H]2[C@@H]2C(=O)c3ccc(O)cc3O[C@H]2c2ccc(O)c(OC)c2)ccc1O"]
["146706282","Cl.OC(=NCCc1ccc(O)cc1)C1CCCN1"]
["32823690","C=C1C[C@H]2O[C@@H]2[C@@]2(C)C=CC(=O)[C@@](C)(OC(C)=O)[C@@H]2[C@H](OC(=O)CO)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl"]
["19000377","COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)C[C@@H](C)CC2"]
["169888328","CC(C)(C)CCNC(=N)N(C(=O)c1ccc(-c2cnn(C(F)F)c2)cc1)[C@H](COC(=O)N1CC(S(C)(=O)=O)C1)c1ccc(Cl)c(-c2nc[nH]n2)c1"]
["150137179","CC#Cc1cc(N(C)C)c2c(c1O)C(=O)C1C(=O)C3(O)C(=O)C(C(=N)O)C(=O)C(N(C)C)C3CC1C2"]
["105001907","CC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N\\Nc1ccc([N+](=O)[O-])cc1)CCC2"]
["127717243","COc1ccc(OC(=O)CCC(=O)c2ccc(C)cc2)cc1"]
["60770380","CCCC1(C(O)=NCCN=C(C)O)CCNCC1"]
["170930410","COc1ccc(SSC[C@@H]2CC[C@H]3O[C@]3(C)CC[C@@H]3[C@@H]2CC3(C)C)cc1"]
["123350010","COc1cc(NC2CCCN(CC(O)c3ccc(C)cc3)C2)cc(OC)c1"]
["162237867","Nc1cc(O)nc(C(F)F)c1CBr"]
["MCULE-5383689511","CCN(CC)CCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCOc2ccc(OC)cc2)C1=O"]
["184337672","c1ccc(C2=NC(c3ccc4sc5ccccc5c4c3)NC(c3cccc4c3oc3cc(-c5cccc6c5oc5ccccc56)ccc34)=N2)cc1"]
["184986645","C1=Cc2oc3c(ccc4[nH]c5ccccc5c43)c2CC1"]
["MCULE-1331904431","CCN(CC)C(=O)CCCC(O)=Nc1ccc(Cl)c(C(F)(F)F)c1"]
["MCULE-5783268474","CCN(CC)CCN=C(O)c1ccc(-c2ccc3ccccc3c2)cc1F"]
["MCULE-6248622743","COc1ccccc1C(=O)Nc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nn1C"]
["77236632","C[OH+]c1cc2sc(C=Cc3ccc(Cl)cc3)[n+](CCCS(=O)(=O)[O-])c2c2sccc12"]
["148762381","CCC(=O)Oc1cccc(OC)c1COc1cc(F)c(CC)cc1C(F)F"]
["145053515","Fc1c(C2CNCCO2)cc2c(c1Br)OCO2"]
["2706515","CSC[C@@H](C)C(O)=NC[C@@H](c1cccc(Cl)c1)N1CCOCC1"]
["8551456","Cc1ccc([C@H](C)N(C)C(=O)c2cn3ccccc3n2)s1"]
["111464358","CCN(CC(=N)O)c1nc(C(=O)O)ccc1[N+](=O)[O-]"]
["197156422","Cn1c(-c2cocn2)nnc1S(=O)(=O)F"]
["116334966","CN=C(NCc1cccc(C(F)(F)F)c1)NCc1cccc(N(C)C)n1"]
["74237776","O=C(O)N(CCc1cccc(CN2CCC3(CC2)CN(C(=O)C(F)(F)F)CCO3)c1O)CCc1ccc(O)c2nc(O)ccc12"]
["167849047","CCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCC"]
["140135999","CC=C(C)C(=O)Nc1c(C)cnn1Cc1ccc(OC)c(OC)c1"]
["MCULE-9002178873","COc1ccc(-c2ccc(F)c(CC(O)=Nc3cnc(OC)cc3C)c2)c(F)c1"]
["88031038","CCCCn1c(C(C)(C)C)ccc(C#N)c1=O"]
["173157273","CCCc1c(-c2ccccc2)cc(C)c(C)c1CCCc1ccccc1"]
["129324886","COc1ccc2nc(C(=O)OCCCOCC(F)(F)F)ccc2c1"]
["MCULE-2365696099","CCC(C)(NC(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1"]
["146990848","Cc1nccn1CCN=C(O)C(C)(N)c1ccccc1"]
["184207801","CC1(C)N[C@H]2C(=O)[C@@]3(COC(C)(C)O3)OC[C@H]2O1"]
["200005596","CCOC(=O)Cn1nc(C(C)C)c2cc(NCCOC)sc2c1=O"]
["55826348","CC(C)NP1(NC(C)C)=NP(NC(C)C)(NC(C)C)=NP(NC(C)C)(NC(C)C)=N1"]
["104684683","CS(=O)(=O)Nc1ccc(Cl)c(NC[C@H]2CCOC2)c1"]
["132094298","CC(OC(=O)c1cn(CC(=O)N(C)C)nn1)c1nc2ccccc2s1"]
["143575682","CCN(Cc1csc(-c2ccc(O)c(OC)c2)n1)C(C)CS(C)(=O)=O"]
["123254298","Cc1cc(N=C(O)c2cc(C(C)C)nc3onc(C)c23)cnc1Br"]
["44666541","O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(C(O)=NCc2ccco2)CC1"]
["54681805","OC(CCCn1nnc(-c2ccccc2)n1)=Nc1ccccc1C(O)=NCc1ccc2c(c1)OCO2"]
["CSSS07167206943","Oc1nc(-c2ccc3nnc(O)n3c2)nc2cc3c(cc12)CCC3"]
["151138396","CCOC(=O)C(F)(F)[C@@H](N)c1cccc(F)c1"]
["111831187","N#Cc1nc(OCCCc2ccccc2)ccc1N"]
["175942429","CSc1ccc(-c2cnc3nc(-c4cc(-c5oc(C)nc5C)ccc4F)cn3c2)c(F)c1.N=CO"]
["146951644","CC1CNCCC1N=C(O)CCCOc1ccc(C(C)(C)C)cc1"]
["125623886","COC(=O)c1oc(CNC(C)c2cc(OC)ccc2OC)cc1C"]
["125762897","COc1cc(C(O)=NCc2csc(-c3ccccc3)n2)ccc1OC(C)C"]
["925491","OC(COc1ccccc1)=NCC(O)=NN=C/C=C/c1ccccc1"]
["74388071","N#Cc1cc(Br)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2"]
["159194064","CC(C)C[C@@]1(N)CS[C@H](C)C1"]
["151429351","COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]"]
["145330555","CCc1nc(N2C[C@H](CC(=O)O)[C@H](c3cn(C)nn3)C2)ncc1C"]
["105730755","CCc1ccc(C[C@](C)(N)CC)s1"]
["142739775","CCCN=C(O)CN=C(O)NCC1(C)CCC1"]
["137664090","Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(c2ncccc2F)C1"]
["MCULE-2770397234","Cc1ccc(C(=O)N=c2[nH]cc(-c3cnc(F)cc3C)nc2N2CCCC2)o1"]
["174890253","Cc1cnc(=N)n(C(=N)Cc2ccc3ncc(/C(C=NCCN4CCCC4)=C/N)cc3c2)n1"]
["170552224","C=CCc1cn(Cc2ccccc2)c2ccc(OC)cc12"]
["69972542","C1CO[C@@H]2COCCOCCOC[C@H]3OCCC[C@@H]3OCCOCCO[C@H]2C1"]
["154706279","COc1ccc(F)c(-n2nc(Cl)ccc2=O)c1"]
["128799093","CC(CN=C(O)NCc1ccc(F)cc1C(F)(F)F)CC1(C)OCCO1"]
["57538517","COC(=O)C(CSSC)N=C(O)C1CCC(=O)C1"]
["124627459","Cc1cccc(OCCCC(O)=Nc2nc(-c3cnn(C)c3)cs2)c1"]
["9076514","COc1cc(CCC(=O)O[C@@H](C)c2nc(O)c3c(C)c(C)sc3n2)cc(OC)c1OC"]
["168516432","Cc1cc(C(N)=NO)nc(N2CCOCC2CO)n1"]
["165178447","CC1(NSc2ccc(-c3c(Cl)cc(N)cc3C(F)(F)F)cc2)CC1"]
["121403088","O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(S(=O)(=O)C(F)F)cc1"]
["120353466","Nc1c(NCc2ccno2)ccc2ncccc12"]
["192993418","CC=C(C)C.[CH2-]C(=O)CC(=O)OCCCC.[Y]"]
["62810454","CC(O)=Nc1ccc(S(=O)(=O)n2cc(Cl)ccc2=O)cc1"]
["11208472","C=CCOc1ccc(C[NH2+]Cc2cn3ccsc3n2)cc1OC"]
["124957989","CN(CCC(=O)OC(C)(C)C)C(O)=NC1CCCC(N(C)C)C1"]
["2981661","O=c1ncccn1CC(O)=NCCCc1ccccc1"]
["85298178","Clc1cccc(Cl)c1Cn1ncc2ccc(I)cc21"]
["143141305","COc1ncc[nH]c1=NN=C(O)c1cncc(-c2cccc(C)c2)c1"]
["9454767","COC(=O)N1CCC[C@@H]1C(O)=N[C@H](C)c1ccc(OC(C)C)cc1"]
["115844033","COc1cccc(N=C(O)CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1"]
["76128071","CCN(CC)c1ccc(-c2cc(C)c(S(=O)(=O)O)c(-c3ccc(N(CC)CC)cc3)c2S(=O)(=O)O)cc1"]
["122701086","CC(=O)CCCOC(=O)C=CC1CCCCC1"]
["145957680","CSCC[C@H](N)C(O)=Nc1ncc(Cc2ccc(F)cc2F)s1.Cl"]
["122793255","O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC(n2ccnc2)CC1"]
["103277438","CNC[C@@H](O)CS(=O)(=O)c1ccc2c(c1)OCCO2"]
["157376067","O=C(CNCC1CC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1"]
["192618499","CC(=O)[C@H](C(C)C)N1CC[C@@H](N=C(O)[C@@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O"]
["48439153","CC1N=C(O)O[C@H]2C1O[C@@H](O[C@H]1C(N=[N+]=[N-])C[C@@H](N=[N+]=[N-])C(O)[C@H]1O)C(N=[N+]=[N-])[C@H]2O"]
["192671127","COc1ccc2ncc(F)c(CCN3C[C@H]4CC(NCc5ccc6c(n5)N=C(O)CS6)C[C@H]4C3)c2n1.[HH]"]
["MCULE-4049191607","N=C(S)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1"]
["MCULE-3838367286","COc1ccc(CC(O)=NC2CCCCC2)cc1-c1cc(C#N)ccc1F"]
["120997220","c1ccc(N2CCCC(OC3CCNCC3)C2)nc1"]
["171737109","CC(=O)C(=C(C)O)c1ccc(C(=O)OCCOC(=O)c2ccc(N=[N+]=[N-])o2)o1"]
["19270715","COc1ccc(Cn2cc[nH+]c2CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)cc1"]
["62113037","C=CCN=c1scc(-c2ccc3c(c2)N=C(O)CO3)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1"]
["115517254","CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccccn2)cc1C(C)(C)C"]
["MCULE-7195159479","O=C1C(Nc2ccccc2Cl)=C(c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1"]
["97860185","CC(C)(C)OC(=O)N1CC[C@H]2CCCC[C@@H]1C2"]
["75129929","CC(Oc1ccc2nc(NC(O)=NCCN3CCOCC3)sc2c1)c1cc(F)cc(F)c1"]
["62375346","CC(NCC1=CC=CN/C1=C(/N)N=O)c1nccs1"]
["175076173","COC(=N)O.O=C(O)CCCc1cccs1"]
["MCULE-5654558268","COCCc1nnc(N=C(O)c2sc(-c3ccc(F)cc3)nc2C)s1"]
["125389925","O[C@@H](CSc1ccccn1)Cn1cccn1"]
["178165223","C=CC1OB(n2c(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2/C(C)=C2\\N=C(c3ccc(C)cc3)c3ccccc32)OC1/C=C/F"]
["147655650","Oc1ccc2c(c1)C1=C(c3cc(O)ccc3OCC1)[C@H](c1ccc(OCCN3CC(CF)C3)cc1)O2"]
["MCULE-9591220055","CC(C)(C)OC(=O)N1CC(=O)CC1C(O)=Nc1ccc(-c2ccc3c(c2)CN=C3O)cc1F"]
["MCULE-3886896196","COc1ccc(N(C)C(=O)c2cc(F)c(-c3ccc(C)c(F)c3)cc2F)cc1"]
["165488947","O=C(c1ccc(NCC(O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1)N1CCOCC1"]
["43374259","CCCC(=Cc1ccccc1)C(=N)O"]
["109093371","OC(CSc1nnc(-c2ccccc2)s1)=N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl"]
["182056506","CCON1CC(C(C)C)c2ccc(N)cc21"]
["174886120","COC(=O)c1cc2nc(C)n(Cc3ccccc3)c2[nH]1"]
["26837430","O=C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1"]
["92060255","CSC(C)(C)CN1CC(O)CC1=O"]
["82192489","CCOC(=O)C1CNN2C(=O)C(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)=CNC12"]
["MCULE-9586283911","Cn1cc(-c2c(F)ccc(F)c2F)cc(N=C(O)c2cnn3cccnc23)c1=O"]
["176946892","Cn1cc(CC2=CC3C=C(S(=O)(=O)NC4(C)CC4)C=CC3=NC2=O)cn1"]
["86324420","CCN1CCC(CN=c2[nH]c(=NC)[nH]cc2Cl)CC1"]
["118034041","CCN=C(NCCCn1nc(C)cc1C)NCC(c1ccc(C)cc1)N1CCOCC1"]
["MCULE-9504553196","COCc1ccccc1-c1ccc2c(c1)CCN(C(=O)COc1ccccc1F)C2"]
["80658162","CCC1CCCCN1C(=O)CSc1n[nH+]c(C(C)N(C)C)n1-c1ccc(Cl)cc1"]
["121651200","CC(C)n1nc(C(=O)N2CCC(c3ccsc3)CC2)c2ccccc2c1=O"]
["153244533","O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1"]
["33768878","CCCCC[C@@H](O[Si](CC)(CC)CC)[C@@H]1O[C@H]1CO"]
["13075525","Cc1ccc(NS(=O)(=O)c2cc(N=C(O)/C=C/c3ccc4c(c3)OCO4)ccc2C)c(C)c1"]
["167560509","CC1(C)c2ccccc2-c2ccc3c4ccc(N(c5ccccc5)c5c(-c6ccccc6)nc6ccccn56)cc4n(-c4ccccc4)c3c21"]
["13892558","CC(C)c1cccc2sc(N=C(O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc12"]
["159674839","O=C(CCN1CCCS1(=O)=O)N(CC1CCCO1)c1ccncc1"]
["169129133","C#CCOc1cccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCCC2)c1"]
["54870726","COC(=O)CC(O)N(Cc1ccccc1N)S(=O)(=O)c1ccc(OC)cc1"]
["30386212","CCc1cccc(-c2c(Cl)cccc2[C@](O)(CCCNC(=O)O)[C@@H]2CCCN(C(=O)c3ccc(CNCCCO)cc3)C2)c1"]
["127695488","CN=c1[nH]cc(C(=O)Nc2ccc(CNc3ccccc3)cc2)s1"]
["49408668","O=C(c1cn(CCc2cccs2)nn1)C(F)(F)F"]
["187199240","Brc1cc2cc(Br)sc2o1"]
["MCULE-3155589605","Cc1ccc(-c2cc(N=C(O)c3sc(C)nc3C)cnc2C)o1"]
["190446955","CCCC1(CC(=O)O)OCCc2c1[nH]c1c(C)ccc(C#N)c21.CCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C)ccc(C#N)c21.I"]
["186080129","Cc1cc(-n2c3ccccc3c3c4oc5ccccc5c4c4c(c5ccccc5n4-c4ccccc4)c32)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1"]
["9104512","CCCn1c(O)nnc1S[C@@H](C)C(=O)N(C)C1CCCCC1"]
["MCULE-3024633339","Cn1cc(-c2cncc3ccccc23)c(N=C(O)Cc2cc(F)cc(F)c2)n1"]
["6406537","C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccco2)CC(C)(C)O1"]
["187519010","CC[C@H](C)[C@H](N=C(O)[C@H](N=C(O)[C@@H](CCC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)C(Cc1csc2ccccc12)NC)[C@@H](C)CC)[C@@H](C)CC)C(=O)Oc1ccccc1C=O"]
["79800357","C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.[Pd]"]
["153673840","O=C(O)c1cnn2c1N[C@H](c1cccc(F)c1)C2"]
["154613894","CNS(=O)(=O)C[C@H]1CCCN(C(O)=NCc2ccc(C#N)c(F)c2)C1"]
["MCULE-5711886588","Cc1csc(-c2cnc(N3CCN(C(=O)c4cnc(C)nc4)CC3)nc2)c1"]
["113240469","CC(C)C(N=C(O)CC(=O)O)C(=N)O"]
["MCULE-7529975318","COc1cc(Cl)c(C)cc1N=C(O)CCN=c1nc(O)c(-c2ccc(OC)c(OC)c2)c(C)[nH]1"]
["70328735","O=C(O)CCCCCCCC(=O)OCC1OC(N2CCC(O)=NC2=O)C(O)C1O"]
["48261337","CCCN(CCC)C(=O)N(CCC)CC(=O)O"]
["MCULE-3876698358","CC(C(=O)Nc1ccc(-c2ccc(N3CCC(C(=O)O)CC3)nc2)cc1)N(C)C(=O)OC(C)(C)C"]
["75100448","COC(=O)c1ccc(C=O)c(C2CC2)c1"]
["172535272","O.O=C([O-])Cc1cccc2ccccc12.[Na+]"]
["187106300","CC(C)[C@H](N=C(O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O)C(O)=NC(CCCNC(=N)O)C(=O)Nc1ccc(COC(O)=NCCCCc2ccc3cc2CCCCN(C)c2ccncc2N=C(O)c2nc-3cnc2N)cc1"]
["107136451","NCC[C@@H](c1cccnc1)c1ccc2c(c1)CCC2"]
["84618256","CCOCCn1ccc(C(NC)C2CC2)c1"]
["84451698","CCN(c1cccc(C)c1)c1cccc(F)c1[C@H](C)N"]
["70527484","CCCCN1C(=O)C2C(NC3N(Cc4ccccc4)C(O)=C(C)C(=O)N23)N(CCCC)C1=O"]
["150855013","COc1cc(/C=C2\\SC(=Nc3ccc(C)c(C)c3)N=C2O)ccc1OCC#N"]
["92906706","N[C@H](CO)c1nc(Cc2cccnc2)no1"]
["75357797","CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(OC(=O)CCC(=O)ON5C(=O)CCC5=O)CC[C@]4(C)C3CC[C@@]21C"]
["34492480","CC1=C(C)C[Se](=O)C(C#N)C1"]
["154538824","COc1cc(/C=N\\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc2ccccc12"]
["7635780","CN(CC(O)=[NH+]C[C@@H]1CCCN(Cc2cccs2)C1)C(=O)OC(C)(C)C"]
["124226945","CC1CC(OC(=O)CCC2CCCOC2)CC(C)O1"]
["7568952","COc1cccc(N=C(O)CN2CCC[C@H]2C(=[NH2+])O)c1"]
["59362900","CC1(OP(=O)(O)O)OC(CO)C(O)C(O)C1O"]
["164487684","O=C1[C@@H]2CCCC[C@@H]2N=C(O)CN1Cc1ccccc1"]
["174589793","CCNC(=O)C(=O)C(CC1CC1)N=C(O)C1CCCN1C(=O)C1N(O)C1(C)C"]
["109277805","OC(C[C@H]1C[C@@H]2CC[C@H]1C2)=NCc1ccc2c(c1)OCO2"]
["33722725","Cc1nc2sc3c(=O)n(-c4ccccc4)cnc3c2c(C)c1/N=N/c1ccccc1"]
["178162393","COc1ccc(CCN=c2[nH]c(=NCC3CCC(C#CNS(=O)(=O)c4ccc(Cl)cc4)CC3)[nH]c3ccccc23)cc1"]
["19456456","CCOC(=O)C1CCN(S(=O)(=O)[NH2+]CCN(C)[C@H](C)CC)CC1"]
["MCULE-7036180580","CCCCN(CCCC)c1ncnc2c1cc(C(=O)NCC(C)O)n2CC(C)C"]
["187916725","Cc1c(CN(C)C(=O)O)oc2cccc(C#N)c12"]
["MCULE-3670265754","Cc1c(C2CC2)nn2c(=O)cc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12"]
["92509782","Cc1noc(CCC(O)=NC(C)CCc2ccccc2)n1"]
["MCULE-4302408838","O=C(NCCC1CCN(C(=O)c2c(F)cccc2C(F)(F)F)C1)c1nnc2n1CCC2"]
["115178943","N#Cc1cc(C(=O)O)ccc1-n1cc(Cl)cn1"]
["92636435","C=C(C)CCNCC1CCCC1CO"]
["67802204","Cc1nn(-c2ccccc2)c(OC(=O)COc2ccc3ccccc3c2)c1Sc1ccccc1[N+](=O)[O-]"]
["175672495","CCCC1(CC)CCCC(c2cccnc2)C1"]
["176691128","CC(C)(C)OC(=O)CCCc1ccccc1F"]
["MCULE-5382236353","Cc1cc(Cl)ccc1N(CCN1CCOCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]
["82496420","CC(C)(F)C1C=CCC1O"]
["MCULE-4915017198","CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1ccc(-c2ccccc2)cc1"]
["MCULE-2885599495","Cc1cc(C)c(NC(=O)c2nccc3ccccc23)c(-c2cn(C)nc2C)c1"]
["177119731","CCCCCCCC[OH+]P([O-])[O-].N.[NH4+]"]
["25694509","OCc1nccn1CC(F)(F)C(F)F"]
["152630498","Cc1nc2cc(NC(O)=Nc3ccc4ccccc4c3)ccc2n1C"]
["44144674","Cn1cccc1-c1cc(C(=O)N2CCOC(C(F)(F)F)C2)n[nH]1"]
["77431007","CCCC(c1nnnn1CC1CCCO1)N(CC1C=c2cc(C)cc(C)c2=NC1=O)C1CCCC1"]
["130437799","CCOCCCCNC(=O)C(=O)Nc1ccsc1"]
["188244895","C[C@H]1CN(c2cccc3c2O[C@@H](c2ccc(Cl)cc2F)CO3)CCN1CC1=NC2SC(C(=O)O)=CC2N1C[C@@H]1CCO1"]
["123001191","CS(=O)Cc1ccccc1NC(O)=NCCCOC1CCCC1"]
["MCULE-9413375220","COc1cccc(-c2cc(C(F)(F)F)cnc2N=C(O)COc2ccc(C(C)=O)cc2)n1"]
["MCULE-7329331196","CN(Cc1ccnn1C)C1CCN(C(=O)C#Cc2ccccc2)CC1"]
["15890996","Cc1cc(C)cc(C(O)=NC(S)=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1"]
["188216005","C1=CC(c2cccc3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c23)CC=C1N(c1ccccc1)c1ccccc1"]
["26306737","CCN(CC)CCCc1cc(CNNC(=O)c2ccc(C(=O)NO)cc2)c2ccccc2c1"]
["4920045","CCOC(=O)CCCN=C(O)COC(=O)c1ccc(Cl)cc1N"]
["MCULE-2553091105","N#Cc1ccc(N=C(O)Cc2cccc(Br)c2F)c(F)c1"]
["59150481","CC(Cl)C(O)=NC(=O)N(C)CC(=O)N1CCCC1"]
["134843457","Cc1ccc2ncc(C(O)=Nc3cc(F)c(F)c(F)c3)c(=O)n2c1"]
["154519312","COc1cc(OC)c(/C=N/N=C(O)[C@@H](O)c2ccccc2)cc1Br"]
["137406737","O=C(CCc1ccccn1)N1CCCc2c(Cl)ccc(F)c21"]
["58089538","COC(=O)c1ccc2c(c1)CCN2C(=O)CCc1nnc(-c2ccc(C)cc2)o1"]
["145632515","C1CC2(CNC2)CO1.O=C(O)C(F)(F)F"]
["193678966","N=C(O)C1=Cc2nn(CC(F)F)c3ncnc(c23)SC1"]
["181041679","[N-]=[N+]=Nc1nc(-c2ncccn2)sc1CCc1ccnnc1"]
["172330967","CCCCN(C(=O)OC)C(C)C(C)C(C)C(=O)OC"]
["13679706","CN=C(O)[C@@H](c1ccccc1)n1cccc1"]
["69623104","CCOC(=O)C=C(C)[O-].[Al+].[CH3]"]
["120190362","CC1(C)CCC(N=C(O)c2cc(Br)cc(Br)c2)C1"]
["193456636","CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OCCOc1ccc(C(O)=NO)c(O)c1)C(=O)OCCNC(=N)N)C(=O)OCCOC)C(=O)OCC(C)(F)F"]
["186577632","CCOC(=O)c1c(N)sc2c1CCN(CC(F)F)C2"]
["173216385","CC.CC(O)=NCCN1CCOCC1"]
["28130471","COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=C[C@H](O)[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(=O)O)[C@@H]21"]
["MCULE-3962696524","CCCCOc1ccc(C2C(C(=O)N3CCN(c4cccc(OC)c4)CC3)=C(N)Oc3c2c(C)nn3C)cc1"]
["190060702","CC(C)C[C@H](N=C(O)OC(c1cccc(Cl)c1)C1(c2cccc(Cl)c2)CC1)C(=O)O"]
["MCULE-7314423521","Cn1ncc(-c2ccc(C#N)nc2)c1N=C(O)c1cccs1"]
["28966182","Cc1c(Cc2cc(=O)n(C3CCCCC3)[nH]2)c2ccccc2n1-c1ccccc1"]
["23910271","Cc1ccccc1N=C(O)C1(c2ccsc2)CC(=O)N1c1ccc(Cl)cc1"]
["121411762","COC(C)(C)CNC(=O)C(O)=Nc1ccc(Oc2ccccc2Cl)cc1"]
["12274770","CN=C(O)c1cc(NC(=O)C(=O)NCc2nc3ccccc3s2)ccc1F"]
["121600446","CCCN(C(=O)Nc1ccc(NC(=O)OCC)cc1)C1CC1"]
["161507858","NC(=O)c1nn(CC=O)c2ccc(O)cc12"]
["184591853","Cc1cccc2c1CC(=O)C(I)c1cc(F)ccc1-2"]
["74563415","C#CCN(Cc1cc2c(O)nc(C)nc2cc1C)c1ccc(-c2ccccc2C(F)(C=O)S(=O)(=O)c2ccncc2)nc1"]
["112639476","CC(O)CCC(O)=NCC1CCOC1C"]
["153954882","C/C(=C\\c1csc(C)n1)[C@@H]1C/C=C\\CCC[C@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1"]
["133600633","CC(NCc1ccnc(OCC(F)(F)F)c1)c1cccc(N2CCCC2=O)c1"]
["179034185","CCCCCCCCCCCCCCCC(O)=NC[C@H](N)C(=O)O"]
["5333091","COc1ccccc1OCC(=O)OCC(O)=NCCc1ccc(F)cc1"]
["178388501","CC(C)N=C(C=C(N)c1cnc(N)c(OC(F)(F)F)c1)C12CC3CC1C2C3N(C)CC1COC1"]
["64975949","CC1CCN(C(=O)c2cc(N=C(O)C34CC5CC(CC(C5)C3)C4)c(=O)n(C)c2)CC1"]
["129905325","Cc1cc(C)c([N+](=O)[O-])cc1N=C(O)Cn1cnc2c(oc3ccccc32)c1=O"]
["MCULE-2008024159","CC(C)CC(C(=O)Nc1ccc(Cl)cc1)N(CC(=N)O)S(=O)(=O)C1CC1"]
["MCULE-6073572114","COc1cc(C=O)c(O)c(C2=CCCN(Cc3ccccc3)C2)c1"]
["63197672","CC(C)(C)ONC=C1[C@@H](C(=O)OC(Cl)(Cl)c2ccc(Cl)c(Cl)c2Cl)C1(C)C"]
["65410195","CCOc1ccccc1N(CC(O)=NCCCOC1CCCC1)S(=O)(=O)c1ccc(C)cc1"]
["145982179","CCOc1cc(C(=O)N(C)C)ccc1N=C(O)CCN.Cl"]
["53931847","CSc1nsc(Sc2ccc(Cl)cc2)n1"]
["76588344","COc1ccc(OC)c(C=C(N=C(O)c2ccccc2)C(O)=Nc2cccc(SC(C)C(O)=Nc3cccc(Cl)c3Cl)c2)c1"]
["176681855","CC(O)=NC1(c2ccccc2)CCN(CCCC(CN(C)C(=O)OCc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1"]
["MCULE-6302917435","OC(=NCc1nc(-c2ccccc2Cl)no1)c1cnc(O)c2ccccc12"]
["103608697","Cn1cc(Br)cc1C(=O)NN=C(O)[C@@H](Cc1ccccc1)NC(=N)O"]
["44222110","CC(C)(C)c1ccc(-c2cccc(C(F)(F)F)c2)cn1"]
["9680534","COc1ccc([C@@H]2OC(=O)N(CCN3CCOCC3)[C@@]2(O)c2ccc(OC)cc2)cc1"]
["155867290","C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(O)=Nc2ccccc2)N1"]
["27752006","CC(=O)OCC1=CS[C@@H]2[C@H](N=C(O)CNc3ccnc4cc(C(F)(F)F)ccc34)C(=O)N2C1C(=O)OC(c1ccccc1)c1ccccc1"]
["187495621","CCCN1CC(O)=Nc2ccc(-c3ccc(OC)cc3)cc2C1c1ccccc1"]
["111743488","CC1CC1CN(C)c1snc(N)c1C(=N)O"]
["MCULE-4667575629","COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)COc1cc(C)ccc1C"]
["180867036","Cc1c(CCN)cc(-c2c(O)c(O)c(-c3c(CCN)cc(-c4c(O)c(O)c(C)c5c4CC=N5)c(O)c3O)c3c2CC=N3)c(O)c1O"]
["102134466","CC[C@H](C(O)=NC(C)C)N(CCc1ccccc1)C(=O)CSCc1c(Cl)cccc1Cl"]
["95363754","CS(=O)(=O)CCCC(=O)C1(N)CCCC1"]
["63582403","O=c1c2c3c(sc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1)CCCC3"]
["62288015","COc1ccc(Cl)cc1CSc1n[nH]c(-c2ccccc2Br)n1"]
["508299","Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1"]
["121665035","CCC(CO)N=C(O)c1ccc(OC(C)C)c(OC)c1"]
["60184955","O=C(N=C(O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C1CCCCC1"]
["58415875","Cc1ccc2c(c1)CC(CC1(CN)CCCCC1)O2"]
["181673772","C#COC(CCC1C(OC)=C(C)c2c(C)cccc21)c1cc2ccccc2[nH]1"]
["25967682","COC(=O)C(Cc1cccc(C(=N)N)c1)C(C)NC(=O)c1ccc(-c2cnc[nH]2)cc1"]
["63555009","COc1cc(C(=O)O[C@H](C)C(=O)N=c2cc(C)o[nH]2)cc(OC)c1Br"]
["MCULE-5991080362","O=C(O)C1CCN(C(S)=NS(=O)(=O)c2ccc(Br)cc2)CC1"]
["16850096","C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(Cl)cc1Cl"]
["MCULE-4511634372","CCN(CC)c1ccc(N=C(O)c2cc3c(NCc4cccnc4)ncnc3n2C)cc1"]
["MCULE-5704558099","COc1ccccc1Oc1ccc(C(=O)Nc2ccc(F)c(-c3cccc(F)c3OC)c2F)cc1"]
["126225077","OC(=NCC1CCCN(C(O)=NCc2ccsc2)C1)Nc1cccc(F)c1"]
["66223027","CCC1CCCC(N2CCC(N)C(C)C2)C1"]
["MCULE-6176500934","CCN(CC)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2N=C(O)C2CCCN2C)cc1"]
["134768974","OC(=Nc1ccc(Br)nc1)N1CCc2sccc2C1"]
["MCULE-9429744707","N#CCCN1CCN(C(=O)c2ccc(-c3ccc(CC(=O)O)nc3)c(F)c2)CC1"]
["MCULE-4910006169","COc1ncc(-c2ccc(N=C(O)CCC(=O)N3CCCCC3)nc2)cn1"]
["156720643","O[C@H](Cc1ccncc1)C(F)F"]
["185899379","COc1cc(-c2cccc(N(CC34CCC(C(=O)O)(CC3)CC4)C(=O)C3CCCCC3)c2)ccn1"]
["47414027","CNC(c1ccc(C)cc1)C(C)N1CCCC1"]
["50128994","CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OC(F)F)cc1"]
["MCULE-9856749705","Cc1cc(C(=O)Nc2ccccc2C2CCN(C(=O)c3ccc4ccccc4n3)CC2)no1"]
["88662675","Clc1csc(=NCCOC2CCNCC2)[nH]1"]
["171798645","CC(C)c1cnn2c(=NC3CC4CCC(C3)N4C(=O)OC(C)(C)C)[nH]c(=NC3CCOCC3)[nH]c12"]
["MCULE-6419574756","CCc1cc(=NC2CCOc3ccccc32)[nH]c(-c2cccc(C)c2)n1"]
["178862591","Cc1c(C(=O)N=c2nn[nH]n2C)ccc(C(C)C)c1C"]
["16170697","COc1ccc(OC)c(CN(Cc2ccc(F)cc2)Cc2[nH+]c(C(O)=[NH+]CCN(C)C)co2)c1"]
["14524890","O=C(NCCc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F"]
["44042826","CCN(CC1CCN(S(=O)(=O)N2CCCC2)CC1)C(C)Cc1ccc2c(c1)CCO2"]
["186314298","COc1ccc(C(=O)N2CCCC(C(C)(C)C(=O)O)C2)cc1F"]
["102257318","COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1"]
["17533777","COc1ccc(S(=O)(=O)NC(=O)c2ccc(CN=C(C)[O-])s2)c(OC)c1"]
["33290024","COC(=O)[C@H](Cc1c[nH]c2cccc([N+](=O)[O-])c12)N=C(O)OC(C)(C)C"]
["MCULE-8208882095","Cc1ccc(CC(=O)OCCCn2cccn2)cc1"]
["114010942","CCN(CC)C1CCN(Cc2cccc(C(=N)N)c2F)C1"]
["136833045","Cc1ccc(CNC(=O)c2c(C)c(C)nn(C)c2=O)c(OC(C)CC(C)C)c1"]
["158038052","C[C@@H]1CNC(C2CC2)(C2CC2)S1"]
["132707463","CCC(CC)S(=O)(=O)N(C)CCCn1ccnc1C"]
["MCULE-4998555489","COc1nccc(=NC(=O)C(c2ccccc2-c2cc(OC)c(OC)c(OC)c2)N2CCN(C(=O)OC(C)(C)C)CC2)[nH]1"]
["44190759","CN=C(O)CN=C(O)COC(=O)c1c(N=C(C)O)sc2c1CCCC2"]
["117069108","C[C@]12CCCN(C(=O)c3cccc(Cc4ccccc4F)n3)[C@H]1CCCCN2"]
["139669177","O=C(OCC1CCOC1c1ccccc1)c1cc(N2CCCC2=O)ccc1F"]
["185815051","C[C@]12CCC(=O)CC1CCC2=O"]
["170173784","COc1ccc(N[C@H](C)c2cc(C)cn3c(=O)cc(N4Cc5ccccc5C4)nc23)c(C(=O)O)n1"]
["101309769","CC(C)=C1C=C([N+](=O)[O-])C=C[C]1Cl"]
["52504972","CNc1nc2cc(-c3cccc(N)c3)nn2c2c1ncn2C"]
["26205100","CC1(C)Cc2cc(NC(=O)N3CC(c4ccccc4)C(c4cc(OC(F)F)c5c(c4)OC(C)(C)O5)=N3)ccc2O1"]
["97260743","CCCCCC/C(=C/[Si](C)(C)C)OC(C)C"]
["96488110","O=[PH](O)ON1CCN(O)CC1"]
["MCULE-7416799167","NC(=O)c1ccc(-c2ccc3nc(N=C(O)Cc4ccc(F)c(F)c4)nn3c2)cc1"]
["149809695","CC1(C)c2ccccc2-c2cc3ccc4ccc(-c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)cc4c3cc21"]
["175050446","CS(=O)(=O)c1ccc([C@@]2(C(O)=NC3=NC=IS3)C[C@H]2C2CCCCC2)cc1"]
["1237997","CC[C@H](N=C(O)CN=C(O)Cc1cccc(F)c1)c1ncc(-c2ccccc2)[nH]1"]
["MCULE-6618553630","CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(N(C)C)CC1)C2c1cccc(OC)c1.Cl"]
["MCULE-9732549462","COc1cc(F)c(F)cc1-c1cnc(N=C(O)Cn2cnnn2)c(C)c1"]
["121200283","Cc1cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)ccc1[N+](=O)[O-]"]
["102866088","CC1(C)OC(=O)C2(Cc3ccc(F)cc3N3CC[C@H](c4ccccc4)C[C@H]32)C(=O)O1"]
["163032689","C/C=C/[C@H](O)[C@H]1[C@@H](O)[C@@H]2CCC[C@@H]21"]
["179907366","Cc1cc(C)c(C)c(N2C=CN3C2=c2cc4c(cc2C2(C)[C@@]5(OC(=O)c6cccc[n+]65)[C@]32C)=[S+]c2ccccc2-4)c1C"]
["66881571","N=C(O)c1cccc([C@@H]2O[C@H](CO)[C@H](O)C2O)n1"]
["168573647","COc1ccc2[nH]c(-c3ccccc3)c(C=Nc3ccc([N+](=O)[O-])cc3)c2c1"]
["MCULE-5598782166","COc1nc(C)nc(N(C)C(=O)c2cc(=O)c3cc(-c4cnc(C#N)nc4)ccc3o2)n1"]
["20944446","Cc1ccc(NC(=O)[C@@H]2CC(=O)N3C(=S)N=C(O)C(C)(C)N23)cc1"]
["MCULE-8835188967","CC(O)=Nc1cccc2c1ccn2CC(O)=Nc1ccccc1OCC(C)C"]
["142614450","COc1cc(C)nc(NNC(O)=NCCCc2cnn(C)c2)n1"]
["78979205","CC(O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["158514076","Cc1ccnc(N2CC[C@](C)(F)C2)c1[N+](=O)[O-]"]
["78475156","Bc1ccc(Oc2cccc(CC(=O)OCC)c2)c(CN2CCCC2=O)c1"]
["2433492","O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cccn1-c1cccnc1)CCO2"]
["181467344","Cc1cccc(-c2cc(-c3ccc(N)cc3)c(-c3ccccc3)c(-c3ccccc3)c2N)c1"]
["146255286","CCC(C)C(N)C(O)=NC(C)c1cc(F)ccc1OC.Cl"]
["200219245","CC(C)(C)OC(O)=N[C@H](C#N)C[C@@H]1Oc2cc(Cl)ccc2N=C1O"]
["199745566","NS(=O)(=O)C1CC(=O)N(Cc2cn[nH]c2)C1"]
["19773566","CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4c3=C(C[C@H]21)[C@H](Cl)[NH+]=4"]
["MCULE-6163801069","CCOc1ccc(C2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCn2ccnc2)cc1"]
["191595644","CC(C)C1(C(O)=Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CC(C)[C@@]1(C(O)=Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cn3)CC2)C1.CCCC1(C(O)=Nc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(=O)N2CCC(C3=CCC=C3)CC2)C1"]
["122400534","CC(C)(C)S(=O)CCN=C(O)NCc1ccc(OC2CCCC2)nc1"]
["MCULE-9478834510","COc1cccc(-c2cccnc2C(=O)N(C)C2CC2)c1F"]
["129175823","Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1COCCO1"]
["MCULE-6800368922","CCOc1cccc(-c2cccnc2C(O)=NCCS(C)(=O)=O)c1"]
["151940823","Cn1nc(CN[C@@H]2CCCSC2)c2c(Cl)cccc21"]
["195250649","O[C@H](F)Cc1ccc(F)cc1"]
["MCULE-1012630328","Cc1cc(-c2c(O)cccc2C=O)ccc1CO"]
["160476753","Cc1nnc(N2CCC(C(F)(F)F)C3(CCC3)C2)s1"]
["187841664","Cc1cc(C)c2ccc3ccc(-c4ccccc4-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)nc3c2n1"]
["33418225","COC(=O)/C(OC)=C(\\C)OS(=O)(=O)C(F)(F)F"]
["25054969","CC(C)(CN)c1ccc2ccc(O)cc2c1"]
["24357070","C=C(B1OCCCO1)c1ccccc1"]
["70306600","O=C1OC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21"]
["MCULE-9855646003","O=C(CCC1CCCCC1)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2C1"]
["MCULE-8776267360","Cc1ccc(-c2cncc(C(=O)Nc3cc(C)no3)c2)c(C)c1"]
["87121465","OC1(CC2CCCCC2)CCN2CCCC2C1"]
["52601179","CC(=CNC(C)(C)C)C(=O)c1ccccc1"]
["19941384","CCN(C(=O)CN(C)Cc1cnn(C)c1)c1cccc2ccccc12"]
["69372349","COc1ccc(CCN=C(O)c2ccc(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1OC"]
["33969824","O=c1nc(N2CCC(C(O)=NCCN=C(O)c3cn(-c4ccccc4)nc3C(F)(F)F)CC2)[nH]o1"]
["79062388","[CH2+]C(C)S[S-]"]
["92435947","NNC(c1ccccc1N)c1ccncc1F"]
["85171644","C=C(CC)CC(NCC)C1CN(CCC)CCO1"]
["123829721","O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(-c2ccccc2)cn1"]
["185836508","CS1(c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)ccc21"]
["148313521","CCCC(N=C(O)c1cc(Cl)cc(F)c1Br)C(=O)O"]
["48692845","O=C(O)C1CCCN1C(c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2cnccc2c1"]
["MCULE-2212013600","CCC(NN=C(O)OC(C)(C)C)c1cccc(C)c1"]
["177274539","CC1C2CC1(C(=N)O)C2"]
["188289303","OC(=NCCCCN(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc(Br)cc1I"]
["200515956","Cn1cccc1CNC(CCO)c1ccccc1"]
["20430630","CCc1ccc([N-]S(=O)(=O)c2ccc(C(=[OH+])C3CC3)cc2)cc1.[H+].[H+]"]
["170780047","CC(C(O)=Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C(F)(F)F"]
["MCULE-1317467819","CC(=O)c1ccc(N2CCN(C(=O)Cn3nc(C)c(-c4cccc(CN5CCN(C)CC5)c4)c3C)CC2)cc1"]
["118562368","CC(C)Oc1ccc(NC(=N)NCC=Cc2ccccc2)cc1"]
["67528327","COc1ncnc2onc(C)c12"]
["59558362","N#CCCNS(=O)(=O)c1cccc2cccnc12"]
["172833638","CC(C)(C)c1ncc(-n2ccc(C#N)c2)cn1"]
["181264382","C=Cc1cc(O)c(Br)c2ccccc12"]
["76519074","Cc1cc(OCCC[N+]2=C3C(=CC=CC3Cl)C(=O)OC2=O)cc(C)c1Cl"]
["8342458","N#C[C@@H](c1ccccc1F)N1CCN(C(=O)OCc2ccccc2)CC1"]
["2584841","Cc1cccc(C(O)=NN=C(O)c2ccccc2Cl)c1C"]
["134149784","CCCC(C)(CO)N=C(O)C#Cc1ccc2c(c1)OCO2"]
["47772557","CCCC(C)NC(C)C(O)=NCC(C)C"]
["MCULE-6366555260","COc1ccccc1C1=C(Nc2ccc(C)cc2I)C(=O)N(c2cc(C)ccc2C)C1=O"]
["11275231","O=C(/C=C/c1ccccc1[N+](=O)[O-])OC[C@H]1CCCO1"]
["73501928","CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCOC(=O)c1cnc(OC(=O)N=C(O)CN)c(OCc2ccc(F)cc2)c1"]
["MCULE-3248369682","Cc1n[nH]cc1-c1ccc(CC(=O)N2CCN(Cc3ccccc3F)CC2)nc1"]
["51469827","Cc1cccc(N=c2[nH]c(CN3CC[C@@H](N)[C@H](O)C3)nc(=N)[nH]2)c1"]
["176902315","C=NN.CNC=N.Cc1ccc(OC(=O)c2ccc(CC(C)(C)C(O)=NCCCN)s2)c(F)c1"]
["MCULE-7517687676","Cc1[nH]nc2c(-c3ccc4c(c3)CN=C4O)cccc12"]
["66083477","Cc1ncc(COc2cccc([C@H](C)N)c2)s1"]
["193682998","Cc1cccc(OCc2ccccc2)c1.Cc1ccccc1.Cc1ccccc1O"]
["149419175","Cc1cc(C)c(C#N)c(SC2=C(N3CCCC3)C(=O)N(c3ccc(F)cc3)C2=O)n1"]
["15347210","COCCN=C(O)CCN=C(O)Cc1csc(-c2ccccn2)n1"]
["21546968","CCOc1cccc(C[NH+]=C(O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)c1"]
["164308295","C/C=C/c1cn(C[C@@H]2CCC[C@@H]2N=C(O)c2nnn(C)c2C)nn1"]
["100725591","CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1Oc1nccc2ccccc12)[C@H]1[C@@H](C[C@H]3C)C1(C)C"]
["167495563","CCn1ccnc1CN1C[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2"]
["MCULE-7369117782","CC(C)Cn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(OCc2ccc(Cl)cc2)cc1"]
["176088106","CC1c2nn(-c3ccccc3)cc2C2c3n1nn[n+]3CCN2Cc1ccc(N(C)C)cc1"]
["156738984","OC(=N[C@H]1CCOC2(CCCCC2)C1)N1CCO[C@H](c2ccc(Cl)cc2)C1"]
["114295018","CCN(CC1CCC1)c1ncc(C(=O)O)s1"]
["115435255","COc1cccc(C(=O)N2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)c1"]
["58104664","CCN=c1scc(-c2cc(OC)ccc2OC)n1N=C1CCCC(C)C1"]
["122710692","CN(Cc1ccccc1)c1ccc(NC(O)=N[C@H]2CC[C@H](CO)CC2)cc1"]
["131635966","Cn1nnc2cc(C(O)=NCc3ccc(NC(=O)c4cccnc4)cc3)cnc21"]
["125889154","CCOC(=O)c1c(C)csc1N=C(O)CCc1nc(-c2ccco2)no1"]
["184305358","O=C([CH-]N1C=N[N-]C1)C1(C2C[I+]2)CC1"]
["MCULE-9535009238","CCOc1ccc2c(=O)c(-c3ccccc3)c(C(=O)N3CCc4ccccc43)oc2c1"]
["19177881","O=c1cc(CO)oc(CN2CCN(c3ccccc3Cl)CC2)c1[O-]"]
["34464298","CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)Cc1ccccc1F)C2"]
["131933022","OC(=NCc1cccc(COCC(F)(F)F)c1)c1ccccc1F"]
["45585589","CC1=[C-]C2=CCn3cnnc3C2=C=C1.[Ir]"]
["140814374","O=S(=O)(CC1CCCO1)NCCCCC1CCCC1"]
["118171046","CN=C(NCCCOc1ccccc1)NCc1ccnc(N2CCCC2)c1"]
["138125666","Cc1ncc(CN(C)C(=O)c2cc3c(s2)CCOC3)s1"]
["29284655","Cc1ccc(C2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3)C2)cc1"]
["137700021","COc1cc(N2CCN(C(=O)c3cc(O)nc4cc(F)ccc34)CC2)ncn1"]
["109593962","CO[C@@](C)(C(=O)N=c1ccn(-c2ccccc2)[nH]1)c1ccccc1"]
["17390627","COc1ccc(/C=C/C(=O)O[C@H](C)C(O)=NC2CC2)cc1OC"]
["54003866","NCCCNS(=O)(=O)c1cccc(Cl)c1"]
["130851716","OCCCCCCN=C(O)C#Cc1ccc2c(c1)OCO2"]
["74140608","CCCCCn1c(=O)n2nc(C(F)(F)F)nc2c2nc[nH]c21"]
["29620347","CCCCOc1ccc(N(C)CC2(O)CCN(Cc3ccccc3)CC2)cc1"]
["MCULE-9436889837","CCC(C)N1C(=O)C(Nc2ccccc2OC(C)C)=C(c2c(Cl)cccc2Cl)C1=O"]
["49496448","Cc1noc(Cl)c1CCC(O)=Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1"]
["16824728","Cc1noc(C)c1C(O)=[NH+]CC(C)(C)N1CCC(N(C)C)CC1"]
["157311250","O=C(O)[C@@H]1C[C@H]1C(O)=NCC[C@@H]1C[C@H]2CC[C@H]1C2"]
["190622836","[C-]#[N+]c1ccc(-c2nc(OC[C@@H]3CCCN(C)C3)c3nccn3c2-c2cc(F)c3c(c2)CCC3O)cc1"]
["176422408","O=[N+]([O-])c1ccc(C#CCOc2ccc([N+](=O)[O-])cc2)cc1"]
["140448078","COc1ccc(O)c([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)c1"]
["120688813","COc1cc(OC)c(CNCCCl)c(OC)c1"]
["67089632","CC(=O)c1ccc(NC(=O)CCCn2cnc(-c3ccccc3)cc2=O)cc1"]
["138221895","CC(C)CCSCC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1"]
["124783930","CCCC1CC(C(=O)N(Cc2ccco2)c2ccccn2)CCO1"]
["188830103","C[C@]12CCC3c4cccc(F)c4CCC3C1[C@H](CCC(O)=NC1CCOCC1)CC2O"]
["MCULE-6273981098","O=C(COc1ccc(F)cc1)N1CCC2(CC1)CCN(C(=O)c1ccccc1)C2"]
["187551834","Cc1cc([C@@]2(N)CCCN(c3cnc(-c4ccc(F)c(F)c4)cc3Cn3cnc4c(N)ncnc43)C2)ccn1"]
["47172319","N=C(O)N1CCCC2(CCCCC2)N1"]
["116816345","O=C(Cc1cc(F)ccc1F)N1CCC(O)(C(F)(F)F)CC1"]
["48562031","CCCCCCOC(=O)OCc1ccccc1"]
["185293901","C=CCC(CC)S(=O)(=O)NCc1ccc(OC)cc1"]
["182364183","CC(C)CCSc1c(ON=[N+]=[N-])cccc1C(F)(F)F"]
["177359602","COC(=O)C(C)c1ccc(-c2ccc(O)c(C(=O)/C=C/c3ccc(OC)c(O)c3)c2)c(F)c1"]
["25190306","CC(O)=Nc1cccc(C(CCN2CCCCC2)Oc2ccc(C(F)(F)F)cc2)c1"]
["157262628","C[C@@H]1C[C@H]1[C@H](NN)C1CC1"]
["51482410","COc1ccc(NC(=O)CSCc2csc(N=C(O)C3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1"]
["111800906","N#CC1(Nc2ccc(F)cc2)CC1"]
["6411441","C#CCSc1nc(O)c2c(n1)N=C(O)C[C@@H]2c1cccc(Cl)c1Cl"]
["MCULE-1518708298","COc1c(Cl)ccc(Cl)c1C(O)=Nc1cccc(S(N)(=O)=O)c1"]
["179787800","CN=C1C=C(c2ccc(N)c(C[NH3+])c2C)NC(N)N1"]
["103314031","C[C@@H](NC1CCCC1)c1c(F)cccc1F"]
["187432726","CO[C@H]1CN(C(C)=O)CCCN(C(=O)Cc2ccncc2)CCCCOC[C@H](O)[C@@H]1O"]
["166204444","O=S(=O)(Cc1ccccc1)N1CCC2(CCN(Cc3ccccc3F)C2)C1"]
["54846540","CCC(C)NCC(=O)N(CCC#N)CCN1CCOCC1"]
["MCULE-9267752245","CC(=O)c1ccc(F)c(-c2cnc(C)c(C(O)=Nc3cnns3)c2)c1"]
["82224438","O=C(O)CCCC1CCN(c2nc(=NCCCCCCCC(O)=NCCCC[C@H](N=C(O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)nc(Nc3ccc(CC4CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN4CC(=O)O)cc3)[nH]2)CC1.[Lu]"]
["131949635","COc1ccc(CN=C(O)c2ccc3c(c2)N=C(O)CO3)c(C(F)(F)F)c1"]
["139274899","CCC(=CC(O)=NC(c1noc(C)n1)c1ccccc1F)CC"]
["181059336","CC(O)C(C)Nc1ncc(-c2ccnc(Nc3ccc(F)cc3)n2)c(CC2CC2)n1"]
["MCULE-7595824450","COc1cc(N=C(O)c2cc(F)cc(C#N)c2)ccc1-c1ccnc(C)c1"]
["196834840","O=c1c2ccccc2c2c3ccccc3c3nc4ccccc4n3c2n1-c1ccc2c3ccccc3c3ccccc3c2c1"]
["69289735","COCCN(Cc1c(-c2cccs2)n(C)c2ccccc12)C(O)=Nc1ccccc1OC"]
["144896075","COc1cc(C(=O)CCN)c(O)cc1Cl"]
["146722813","CCC(CC(=O)Nc1ccc(OCC(=O)O)cc1)c1ccccc1"]
["90320593","CCC(C)N=C(O)N=C(O)COC(=O)c1cc(F)ccc1Br"]
["18955065","COc1ccc(N2CCN(CCNC(=O)c3cc4c(=O)oc5ccccc5c4n3C)CC2)cc1"]
["178876607","C#CCCC(N=C(O)[C@@H]1C[C@@H](C(C)C)CN1C(=O)C1(NC(O)=NC2(CS(=O)C(C)(C)C)CCCCC2)C(C)C1(C)C)C(=O)C(=O)NCC=C"]
["24287683","CC(C)Cn1cc(NC(O)=NCCCN2CCCCC2C)c2ccccc2c1=O"]
["10580632","Cc1ccccc1N=C(O)c1cc(=O)oc2cc(OC(C)C)ccc12"]
["172614119","COc1ccc(-c2c[se]c(C(=NN)c3cc(OC)c(OC)c(OC)c3)n2)cc1"]
["138092295","Cn1cc(C2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C2)cn1"]
["168938062","O=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2ccc(O)cc2F)c[nH]1"]
["111628157","COCC(C)Nc1cc(C)c([N+](=O)[O-])cc1Br"]
["140175616","CC(SCc1cc(-c2ccco2)on1)C(O)=NCc1cccs1"]
["152023919","CNC(=O)c1noc(CN=C(O)C[C@@H]2C=CCC2)n1"]
["93367711","CCc1ccc(CN(C(=O)c2cnccn2)C2CC2)cc1"]
["MCULE-6681888038","CCCCCCCOc1cn(CCOCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O"]
["104625489","CCOC[C@@H](O)CN[C@H](c1nc(-c2ccc(C)c(Cl)c2)no1)C(C)C"]
["111215419","OC(=Nc1cc(Br)c(F)cc1F)C1CCNC1"]
["MCULE-5820727923","CC(C)c1ccc(NC(=O)N=C(O)C(C)(C)C)cc1"]
["128965245","CN(C(=O)N=c1cco[nH]1)C(c1ccc(F)cc1)c1ccc(Cl)cc1"]
["MCULE-7798529451","CCCCOc1ccc(NC(=O)C(CSCc2ccccc2)N=C(O)c2cc(-c3ccco3)n(C)n2)cc1"]
["60491585","O=C(O)C(Cc1ccc(-c2ccccc2)cc1)N=C(O)c1cc(Cl)ccc1NC(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1"]
["78592979","CC#CC(O)=NCCCOC"]
["192368581","CCCCN(c1cc(C)c(F)c(C)c1)C(C(=O)OC(C)C)C(C)C.O=C=O"]
["152432924","CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1"]
["192909258","CCC(=O)Nc1ccc(CN2CC3(CN(Cc4ccc(NC(=O)CCl)cc4)C3)C3=C(Cc4cc(OC)ccc43)C2CO)cc1"]
["4097843","CCC[C@H]1O[C@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]
["156511314","CCN(C)S(=O)(=O)N[C@@H](C)c1cn(C)nc1C"]
["45173196","O=S(CCO)CC(F)(F)F"]
["MCULE-7700598147","Cc1ccc(-c2ccc(NC(=O)C3Cc4ccccc4C3)cc2)o1"]
["116647313","CN=C(NCCCCNc1ccccn1)N(C)Cc1cc(Cl)cn1C"]
["58570106","Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)N=C(O)C3CCN(C(C)C(O)=Nc4cc(C(O)=Nc5ccccc5)ccc4Cl)CC3)cc2)cc1F"]
["57725223","COc1ccc(Br)cc1C=NN=C(O)c1cccc(F)c1"]
["43834368","CC(=O)c1ccc2c(c1)/C(=C(/Nc1ccc(CN(C)C)cc1)c1ccccc1)C(O)=N2"]
["162615374","C[C@@H](O)CN1CCC(O)C1(C)C"]
["166143991","O=C(CC1CC2CCC1C2)N(Cc1ccccc1F)C1CC1"]
["12692874","C[C@H]1CCCC[C@@H]1N=C(O)[C@@H]1CS[C@@]2(C)CCC(=O)N12"]
["MCULE-5817207830","Cc1ccc(C)c(-c2ccc(F)c(C(=O)N3CCc4cccnc43)c2F)c1"]
["172388262","C[C@@H]1C[C@@H]([B][C@@H]2C[C@@H](C)[C@H]3C[C@]2(Cl)C3(C)C)[C@H]2C[C@H]1C2(C)C"]
["164475468","CC(CCCNc1c(F)c(F)nc(F)c1F)CNc1c(F)c(F)nc(F)c1F"]
["1436092","COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)CC([O-])=N3)cc1"]
["116903269","CC[C@@H](O)CNC(C)c1ccc(OCC2CC2)c(F)c1"]
["155419725","CC(C)n1ncc2c1CCc1c-2nc2cccc3c2c1CC3"]
["161742626","CC(C)(C)NC[C@H](O)COc1c(I)ccc2c1=NC(=O)N=2"]
["93940912","Cc1cc(Oc2ccc([C@H](C)N)nc2)c(F)cc1[N+](=O)[O-]"]
["159172575","Cc1cnc(-c2cccnc2)n1C[C@H]1CCCN(C(O)=NC2CCCCC2)C1"]
["196864430","C=CC(=O)N1CC2C(=O)N(C)c3c(F)c(-c4c(O)cccc4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C"]
["2236211","CC(=O)CCc1ccc(OCCC(=O)N(CC(F)(F)F)C(C)C)cc1"]
["MCULE-6935870120","COc1cccc(C(O)=Nc2cccc(C(C)=O)c2)c1-c1ccc(C(C)=O)s1"]
["MCULE-4037567140","Cc1ccc(C)c(-c2ccccc2N=C(O)C2CC(=O)N(c3ccccc3)C2)c1"]
["115220451","CC(C)OC(=O)c1c(-c2ccc(F)cc2Br)csc1N"]
["12770171","COc1ccc(CN(C2CC2)S(=O)(=O)N(C)[C@H](C)C2CC2)cc1"]
["58748371","N=C(O)N1C(=O)[C@H]2[C@H](CC=C3[C@H]2C[C@H]2C(=O)N(C(=N)O)C(=O)[C@H]2[C@H]3c2ccc(OCCO)cc2)C1=O"]
["52460763","CSc1ncc(C=C2C(=O)N(C)C(=O)N=C2O)cn1"]
["108330699","COc1ccccc1-n1nc(C2CCOCC2)nc1C[C@H]1N=C(O)N=C1O"]
["43875205","CCCCCCN(C(=O)C(CCSC)N=C(O)OC(C)(C)C)C(C(O)=Nc1c(C)cccc1C)c1ccc(O)cc1"]
["53990432","COCCS(=O)(=O)CC(=O)c1cc(Br)sc1Br"]
["33384215","CC(C)(C)[Si](C)(C)OC[C@H]1OC(n2ccc(O)nc2=O)=C(OC(=O)c2ccccc2)[C@@H]1O[Si](C)(C)C(C)(C)C"]
["MCULE-4836805472","CCCCN(CC)C(=O)c1ccc(NC(=O)N2CC(C)OC(C)C2)cc1"]
["118281333","CN=C(NCCNc1ncccc1C(F)(F)F)NC1CCC(SC)C1"]
["195928392","Cc1ccc(Cc2ccc(Cc3ccc(OC#N)cc3)o2)cc1"]
["3231148","CC(=O)c1ccc(OCCCC(O)=NCc2ccco2)cc1"]
["132235716","CC(O)=NCCc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)s1"]
["198114510","Cc1c([C@@H](C)Nc2[nH][nH]ccnc3ccc(C4=CCOCC4)cc23)cccc1C(F)(F)F"]
["108455251","CC[C@H](c1ccc(F)cc1F)N1CCN(C[C@H](C#N)CCC#N)CC1"]
["171449870","c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4c4c(c5ccccc5n4-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)c32)cc1"]
["158168624","CSCCCN(C)C[C@@H]1C[C@H](F)CN1Cc1cc(C)no1"]
["166399451","O=Cc1ccc(-c2ccc(BO)s2)s1"]
["117799030","C=C(C)CNC(=N)NCCc1cc(OC)ccc1OC"]
["5603763","CCOC1CCN(C[C@@H](O)Cn2c(-c3ccccc3)[nH+]oc2=O)CC1"]
["181305664","[N-]=[N+]=N/C=C/C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1C=CCCC1"]
["116972492","C=CCCCN(C)C(=NCC1CCCCO1)NCC(=O)N(C)C"]
["142356816","OC[C@H]1CCCN1C(O)=NC1CCN(Cc2ccncc2)CC1"]
["92228694","CCNC(Cc1c(Br)c(CC)nn1C)c1cc(C)oc1C"]
["67013556","CNCCN(C)c1cc(F)ccc1N"]
["MCULE-9513261176","COCc1nnc2sc(CCCN=C(O)c3cc(OC)cc(OC)c3)nn12"]
["137338311","COCCc1noc(CN2CCCCC2CCNS(C)(=O)=O)n1"]
["47002629","Cc1cccc(C(O)=Nc2cc(N=C(O)CN=C(O)C3CCN(C(C)C(O)=Nc4cccc(C(=O)N5CCCC5)c4C)CC3)ccc2C)c1"]
["CSSS14929154141","Cc1ccc(F)cc1N(C)Cc1nn(C)cc1S(N)(=O)=O"]
["CNP0193191.1","C=C1C(=O)O[C@H]2/C=C(\\C)CC/C=C(/C)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@]12O"]
["160137192","CC1CCCC(C)N1C(=O)CN1CCC(c2nnc3n2CCCC3)CC1"]
["5537210","[H]/N=C1C(=C\\c2ccc(N(CC)CC)cc2)/C(=O)N=C2SC(c3cccnc3)=NN2/1"]
["162237719","COc1ncc(O)c(C(F)F)c1N"]
["120690149","NCc1ccc2c(c1)N(CCO)C(=O)CO2"]
["MCULE-3025966787","CCOc1cccc(-c2cnc(N3CCN(C(=O)c4nccn4C)CC3)nc2)c1"]
["186448250","O=c1c(C(F)(F)F)cccn1Cc1cncc(Br)c1"]
["142452430","COc1cccc(C(C)(C)CNC(=O)C(=O)Nc2cccc(-c3ncon3)c2)c1"]
["29557286","O=C(CN=C(O)[C@@H]1CCCC[C@H]1c1ccc(Cn2c(CCCO)nc3ccccc32)cc1)Nc1ccc(F)cc1"]
["130378168","NC(=O)c1ccc(C=CC(O)=Nc2ccc(OC(F)F)cc2OC(F)F)cc1"]
["175859806","CC.CC(=O)C(C)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1"]
["7348727","Cc1ccc([C@]2(C)N=C(O)N(CC(=O)/N=c3\\sc4ccccc4n3C)C2=O)cc1"]
["53513949","CCCCCCCCCCCCOC(=O)C1CC(=O)C(C(=O)OCCCCCCCCCCCC)CC1=O"]
["172055733","Cc1cc(C(=O)N2CCC(F)CC2)c(Br)cc1F"]
["85139452","CC(C)(C)c1ccc(C2CCCc3[nH]c(=N)sc32)cc1"]
["91975187","Cn1c(Cl)cnc1CN1CCC(CN=c2ccc(C#N)c[nH]2)C1"]
["MCULE-3151573664","Cc1cc(-c2ccc(C(N)=O)cc2)c(F)cc1NC(=O)C1CCN(C)CC1"]
["113779508","COc1ccccc1-c1ccoc1C=O"]
["187728658","C1=CC2=CC=CC(c3cccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7oc8ccccc8c67)cc5)cc4)c3)C2C=C1"]
["107393604","CC[C@H](C)NC(O)=NC[C@@H](CC(C)C)N[C@@H](C)c1ccccc1"]
["69503763","FC(F)(F)c1ccc(C2OC2c2ccc(C(F)(F)F)cc2)cc1"]
["140828196","CCCN(CC1CCCCC1)C(=O)CCN1C(=O)C2(CCCC2)N=C1O"]
["1416135","CN(C)c1ccc(NC(=O)CN2CCC([NH+]=C(O)CC3CCCC3)CC2)cc1"]
["104101606","O=C(CC[C@H](N=C(O)OCc1ccccc1)C(=O)OCC(O)=Nc1ccccc1)OCC(O)=Nc1ccccc1"]
["MCULE-6293767257","CNC(=O)c1ccc(-c2ccc(CCCC(=O)N3CCC(N(Cc4ccccc4)C(=O)OC(C)(C)C)CC3)cc2)cc1"]
["MCULE-6432376488","Cc1cc(-c2cnn(C(C)C)c2)cc(C)c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1"]
["171810852","COC(=O)c1ccc(C2CC2CCCCCOc2ccc(C=O)c(C(=O)C3CC3C)c2)cc1C=O"]
["91468658","CC(C)(C)c1ccc(C2CCCC=C2[N+](=O)[O-])cc1"]
["MCULE-3701382609","CCCCN(CC)C(=O)C(N=C(O)c1cccc(OC)c1)c1ccccc1"]
["73903616","CCCCCCCOc1ccc(-c2nc(-c3ccc(CC(CNCC(=O)O)Nc4ccc(C(C)(C)C)cc4)cc3)no2)cc1"]
["175290661","COCCN=C(O)[C@@H](O)C(Cc1ccccc1)CC(C)(C)OC(=N)O"]
["3358893","C[C@@H](N=C(O)N(Cc1cccc(O)c1)C1CC1)c1ccc(OC(F)F)cc1"]
["98632109","Oc1ccccc1C(=S)[O+]=C1N=CC=N1"]
["MCULE-3951565873","Cc1ccc(C(O)=Nc2ccc(C3(C(=O)O)CCOCC3)cc2)cc1"]
["MCULE-8192889287","CCn1nc(C)cc1C(O)=Nc1ccc(-c2ccccc2OC(F)(F)F)cc1C(C)=O"]
["22011313","Cc1ccccc1N1CCN([C@H](C)C(O)=Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1"]
["57879062","Cc1nn(CCCO)c(C)c1CO"]
["180944359","C=C(NN=C(C(=N)O)C(=N)Nc1cc(C)cc(C)c1/C=C\\C(CC)CC1CCOCC1)N[C@@H]1CCOC[C@@H]1N"]
["MCULE-8204597892","N#Cc1cccc(-c2ccc(CC(=O)O)cc2)c1NC(=O)C1CCc2ccccc2O1"]
["MCULE-3347794333","CCOc1ccc(C2=C(Nc3ccccc3OCC)C(=O)N(C(C)CC)C2=O)cc1"]
["141871263","CCc1cc(C(=O)NC(C)Cc2cc(C)nn2-c2ccccc2)n[nH]1"]
["MCULE-1424501084","CCOc1ccc(-c2cc(F)c(C(=O)N3CCN(S(=O)(=O)CC)CC3)cc2C)c(F)c1"]
["MCULE-4075033000","CCCCN(C(=O)CCc1ccc(OC)c(OC)c1)c1ncc(-c2ccc(C#N)cc2)cn1"]
["199036619","CCn1[nH]cnc1=NC(=O)C(=O)N1CC[C@@H]2C(OC)C(C)(C)[C@@H]21"]
["138026194","CC(O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1C"]
["170001573","CCCN=C(O)C1CNC(C2CC2)OO1"]
["MCULE-3683014247","CNCc1cnn(C(C)c2ccc(F)cc2OC)c1O"]
["59937011","C[C@@H](N=C(O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1"]
["58509360","CCOC(=O)C1(CSCC(C)C(=O)N2CCCC2C(=O)O)OC(=O)C(O)=C1SCC(C)C(=O)N1CCCC1C(=O)O"]
["22318889","Cc1nc(C2(NCc3ccc([N+](=O)[O-])cc3)CCCCCC2)no1"]
["142981227","Cc1cc(C)c([N+](=O)[O-])c(C)c1C(O)=NCc1cc(C#N)ccc1F"]
["58284230","Cn1c(SCC(O)=N/N=C\\c2cc([N+](=O)[O-])ccc2[O-])nnc1-c1ccc(Cl)cc1"]
["MCULE-2241122439","NCCC1C(c2ccc(C(F)(F)F)cc2)C1(F)F"]
["51291659","CCOC(=O)Nc1ccc(OC(=O)C(C)(C)c2ccccc2F)cc1"]
["173328950","Cc1ccccc1CCC(=O)C=N"]
["MCULE-6556797590","Cc1cccc(CC(=O)N2CCc3cc(-c4cncc(F)c4)cnc32)c1"]
["96777189","Cc1ccc(S(=O)(=O)NCCC/N=C/c2ccccc2)cc1"]
["168310138","CCON=C(CC)C1=C(O)CC2(CCc3c(C(C)=O)c(C)cc(C)c32)CC1=O"]
["117085441","O=C(c1cc2cccc(F)c2[nH]1)N1CCC2(CC1)OCCCC2O"]
["194814111","CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(OC(=O)c4ccc(C(=O)O)cc4)cc3)CC2)CC1"]
["162595678","CN(Cc1ccccc1)C(C)(CN)C1CCC1"]
["108556215","Fc1ccc2c(c1)CCN[C@@H]2c1ccc(Cl)nc1Cl"]
["102628304","Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(O)=NC(C)C)cc1"]
["45519691","COC(=O)[C@@H](N=C(O)c1ccc(Cl)cc1N(c1nsnc1Cc1ccccc1)S(=O)O)C(C)(C)c1ccc(Cl)cc1"]
["155846058","CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)c4ccccc4C)cc3)c(=O)c3ccccc23)c(O)c1"]
["172736364","COc1ncccc1C1(C(=N)O)N=Cc2nc(O)n(-c3ccccc3)c2N1"]
["165772277","COC(=O)CCCCN=C(O)NCCCC(=N)O"]
["MCULE-5016687104","Cc1cncc(NC(=O)c2ncc(-c3cnc4ccccc4c3)cc2C)c1"]
["171730147","c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccc(-c6ccccc6)cc5c5c6c(ccc54)sc4c(-c5ccccc5)cccc46)n3)cc2)cc1"]
["109159395","COc1ccc(Br)c(C(O)=N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1"]
["3713399","CN(CCC(O)=Nc1cccc(S(N)(=O)=O)c1)c1cccc2ccccc12"]
["182541686","C=C(CC1(CC(=C)C(=O)O)CCCCCCCCC1)C(=O)O"]
["60502022","CCCc1noc(COC(=O)c2ccc(COCC(F)(F)F)cc2)n1"]
["85873730","O=C(O)CC(NC(=O)c1nn[nH]n1)c1ccccc1"]
["69993955","CN=C(O)c1cc(SC)ccc1OC1CC1"]
["154402088","O=[N+]([O-])c1ccc(O)c(C(O)=N/N=C\\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1"]
["MCULE-8548551023","CCCCC(C(=O)Nc1ccc(Br)cc1)N(CC(=N)O)S(=O)(=O)CCC"]
["53505005","Cc1ccc(C(O)=Nc2ccccc2C)cc1N=C(O)CN1CCC(C(O)=NC(C(O)=Nc2ccccc2C(=O)N2CCCC(C)C2)C(C)C)CC1"]
["189308488","Cc1c(C)c2c(c(C)c1O)CCC(C)(C(O)=NCCCCN=C(O)Oc1ccc3c(c1)CN1CCc4ccccc4C1N3C)O2"]
["17513259","CC(C)C[C@@H](CN(C)C)[NH2+]C(=O)c1ccc(-c2ccccc2)nc1O"]
["106052987","CCNC(C)(C)C(O)=N[C@@H](C)c1cnn(C)c1C"]
["MCULE-2939091711","CC(C)Oc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(C(C)(C)C)cc2)C1=O"]
["146190207","CCNCC1CCN(C(=O)c2oc(C)nc2C)CC1.Cl"]
["31684048","CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC(O)=Nc3ccc(F)c(F)c3)CC[C@@H]12"]
["MCULE-8424577316","Cc1nc(Cl)ccc1-n1nccc1C1CCC1"]
["MCULE-3336394862","CCCCN(C(=O)c1cccc(C)c1C)c1ncc(-c2cccc(C(O)=NC)c2)cn1"]
["158933689","Cc1ccccc1CS(=O)(=O)N=C(O)[C@H]1C[C@]12CCOC2"]
["151450483","CN=C(O)CN1CCCC[C@H]1c1cc[nH]n1"]
["164765154","CN=C(O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O"]
["176444663","COC(=O)C(Cc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1"]
["179366856","[NH-]C(=O)c1cc(F)cc2nc3n(c12)[NH2+]C=C3C(=O)N1CC[NH2+]CC1"]
["175210935","C(=C/c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2ccccc12)\\c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N3c4ccccc4CCc4ccccc43)ccc1-2"]
["MCULE-1494277617","COc1cnccc1C(=O)Nc1cc(-c2cccc(C)c2F)cn(C)c1=O"]
["MCULE-7205152414","Cc1cc(-c2c(NC(=O)c3ncc(F)cc3F)ccc(F)c2F)ccn1"]
["157412983","Cc1ccc([C@@H](N)C(O)=NC[C@H](O)Cc2ccccc2)cc1"]
["MCULE-6614576865","CCOc1ccc(NCc2cc(=O)c(OCC(O)=NC(C)c3ccccc3)cn2CCOC)cc1OCC"]
["1632835","CCOc1ccc(N=C(O)CN(C)C(=O)c2cc(C)oc2C)cc1OCC"]
["88520790","Brc1cccc(OCCNN2CCCCC2)c1"]
["6624484","CCOc1ccc(NC(=O)CSc2nc(SCc3ccccc3)nc3sc4c(c23)CC(C)(C)OC4)cc1"]
["24698402","CCN1CCCC1CNC(=N)NCc1ccccc1Cn1cccn1.I"]
["MCULE-7155760705","CCCC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1"]
["181631827","CCCC(=O)N(CC(C)(C)C)C(=O)Oc1cccc(N(C(=O)CCC)C(=O)OC)c1"]
["170455110","CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCNC(=O)c2ccc(C(=O)N3c4cc(C#N)ccc4N(Cc4c(OC)ccc5ccccc45)C(=O)C(N=C(O)C(C)NC)C3C)cc2)cc1)c1ccccc1"]
["MCULE-4461639108","COc1ccc(F)c(-c2cc(F)ccc2C(=O)N2CC(=O)C2)c1"]
["179595170","[B]C12C=C[C@@H](C(C)C)C(N[C@@H](O)N(C)C[C@H](O)OCC)NC(C1)C2"]
["9060967","CCc1cc(C(C)=O)c([O-])cc1OCc1cccc(C(O)=Nc2cccc(CC(=O)O)n2)n1"]
["141165746","CN(C)Cc1cccc(CN=C(O)C2CCN(C(=O)C3CC3)CC2)c1"]
["158993677","N=C1COC[C@@H](c2cccc(C(F)(F)F)c2)N1"]
["70579701","COC(=O)C(C)C1(CCCCNC(C)c2ccccc2)OCCO1"]
["2075288","O=C(COc1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1"]
["29769333","Cc1nc(C(F)(F)F)c(C(O)=Nc2ccccc2-c2ccc(Cl)cc2Cl)s1"]
["174577182","CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CCOC(=N)O"]
["7153535","O=S(=O)(c1ccc(Cl)cc1)N1CCC(CCC(O)=NCc2ccc(F)cc2)CC1"]
["45996387","O=P(O)(O)C(c1ccccc1)c1ccc(C=Cc2ccccc2)cc1"]
["MCULE-6054665792","CC1CCCN(C(=O)Cc2nonc2OCC(O)=Nc2nccs2)C1"]
["130911757","Cc1oc2ncnc(O)c2c1C(O)=Nc1ccc2nc(-c3ccccn3)[nH]c2c1"]
["46381923","CS/C=C/[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1"]
["61735531","CCN(CC1COc2ccccc2O1)C(=O)CSc1ncnc2c1cnn2C"]
["MCULE-5670513307","Cc1cc(F)c(-c2cccc(OC(C)C)c2)cc1N=C(O)c1ccncc1F"]
["24789719","COCCN=C(O)[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2)CN1C(C)C"]
["67579478","NC(CNCCn1ccnc1)C(=O)O"]
["14532326","CC(O)=Nc1ccc(Cl)c(NC(O)=NCCS(C)(=O)=O)c1"]
["43576805","Cc1cc(COC(=O)c2ccccc2OCc2ccc(Cl)cc2)on1"]
["131976673","CCCCC(NCc1nnc(C)n1C)C1CCC1"]
["103253538","Cc1ccc([C@@H](N)c2cccc(S(C)(=O)=O)c2)cc1"]
["130432530","CN(C)Cc1cccc(N=C(O)N2CC(O)=NC(=O)C23CCCCC3)c1"]
["33788413","CC(C)c1nsc(N2CCC3(CC2)Oc2ccc(-c4ccc(N=C(O)N5CCOCC5)c(F)c4)cc2CC3(F)F)n1"]
["MCULE-6637876873","CC(C)N1CC(C(O)=NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1=O.Cl"]
["181822563","CC(O)CC=CN=[N+]=[N-]"]
["785926","Cc1ccc(CN=C(O)[C@H](CCc2ccccc2)N=C(O)[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](C)O)cc1"]
["128497819","Cc1occc1C(=O)OCCOc1cccc(Cl)n1"]
["116003436","CC(C)N(Cc1ccccc1)C(=O)c1ccc(=NCc2ccco2)[nH]n1"]
["174393292","ClC1=CC=CC2N=C(N=C(CBr)NNCc3ccccc3)C=CC2=C1"]
["34105212","O=C(O)CC(Cc1cc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1"]
["66588173","CN(C)c1ccc(-n2oo2)cc1"]
["32414570","OCCON=C(O)c1cc(/C=N/OCCN2CCC(O)CC2)c(F)c(F)c1Nc1ccc(I)cc1F"]
["194997559","CCC(C)CC(C)CC(C)C(OC1CC(CO)C(O)C(O)C1O)C(C)C=C(C)CC(C)C=C(C)C(O)C(C)C=C(C)C(=O)CCOC(C(O)CO)C(O)C(O)CO"]
["150065785","COc1ccc(ON(Cc2ccccc2)C(=O)C2(NC(=O)c3cccnc3OC)CC2)c(C(F)(F)F)c1"]
["MCULE-8625811960","Cc1cc(C(N)=O)c(N=C(O)C=CC(O)=NCc2ccccc2)[nH]1"]
["87852149","NCc1ccnc(NC(=O)c2ccc(Cl)cc2)c1"]
["55541599","COc1cc(C(=O)Nc2ccc(C(C)=NOC(=O)Nc3ccc(C)cc3)cc2)cc(OC)c1OC"]
["20469843","CCC[C@@H](C)N=C(O)[C@H](C)N(C)CC(=O)OCC"]
["45982454","COc1cccc(NC(O)=NCCN2CCN(c3nc(Cc4ccc(C)cc4)ns3)CC2)c1"]
["MCULE-2952704969","Cc1ccc(C(C)N=C(O)Cn2cc(-c3ccc(S(C)(=O)=O)cc3)cn2)cc1"]
["128186061","C#Cc1cccc(N=C(S)NN=C(O)CCc2ccc(F)cc2F)c1"]
["125603725","C=CCN(C)C(=O)c1ccccc1-n1cnnn1"]
["83959422","Cc1ccc(S(=O)(=O)CCc2ccc3ccccc3n2)cc1"]
["MCULE-3841387677","COc1ccc2cc(-c3cc(F)c(CC(=O)N4CCN(S(C)(=O)=O)CC4)c(F)c3)ccc2c1"]
["126924645","COCCc1ccc(OCCCC(=O)N2CCSC(C)(C)C2)cc1"]
["115034058","CN=c1[nH]c(C)c([N+](=O)[O-])c(=NC(C(=O)OC)C(C)C)[nH]1"]
["28752592","N=C(O)C1(CN)CCN(c2ccccc2N=C(O)c2csc(N3CCS(=O)(=O)CC3)n2)CC1"]
["55595339","Cc1cn(CC(O)=Nc2cccc(F)c2)c(C)c1C"]
["CSSS00880085667","CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)C=Cc1ccc(OCC(=N)O)cc1"]
["139544554","CCc1cnc(CN(C)C(=O)c2sccc2C#N)s1"]
["81402868","CC(=O)OC1OC(CO[Si](C(C)C)(C(C)C)C(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O"]
["159465306","COC(=O)c1ccc(C(=O)OC)c(N=C(S)Nc2ccc(N(C)C)cc2)c1"]
["MCULE-7154524105","CCOc1cccc(-c2ccc(N=C(O)c3c(F)cncc3F)c(C(C)=O)c2)c1"]
["163944855","CC1(C)OC(C)(C)C(=O)OC(C)(C)C(O)=NC1=O"]
["145736857","Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(CC2CCCC2)c1=O"]
["166111258","Cc1cc(Br)ccc1NC(=O)C(C)SCC(=O)Nc1ccc(F)cc1"]
["192760186","CC(C)([NH-])CN(c1ccc(OCc2ccccc2)cc1)C1C=CCCC1"]
["145331901","O=C(c1cccc(NC(O)=NCCc2cnc[nH]2)c1)N1CCCCCC1"]
["93526104","C#CCC(C)NC1CCOC(C)(C)C1"]
["152979741","CCOc1ccc(N2C(=O)/C(=C/c3cn(CCCOc4ccccc4)c4ccccc34)N=C2S)cc1"]
["67932459","CCN(CCN=C(O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1"]
["117579475","CCCN=C(O)N1CCC(N=C(O)c2cccc(OC)c2)CC1"]
["53559985","CC1(CNCC2CCCC2)COC1"]
["108050412","CC(C)(C)OC(O)=N[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1"]
["170293925","CCCCCCCCCCCCCCN(CC(=O)O)CC(OC)OC"]
["8663986","O=C(CSc1nccn1-c1ccccc1)c1ccccc1"]
["MCULE-9789697193","Cc1cnccc1CN1CCCC(CN(C)C(=O)c2ccc(-n3cccn3)nc2)C1"]
["174759966","C=Cc1ccccc1C(=O)OCl"]
["156843490","Cc1nnc(=NC[C@@]2(C)CCCNC2)[nH]c1C"]
["198272389","CCP(CC)c1ccc(-n2ccn(-c3c4c(nn3-c3cc(C)c(F)c(C)c3)CCN(C(=O)c3cc5cc(C6CCOCC6)ccc5[nH]3)C4)c2=O)cc1OC(F)F"]
["134385927","C=C(C)CC(C)C(O)=Nc1cccc(C(O)=NCCN(C)C)c1"]
["20004889","COc1ccc(/C=C2\\Oc3c(ccc4c3CN(CCN3CCOCC3)CO4)C2=O)c(OC)c1"]
["MCULE-2241983001","O=[N+]([O-])c1ccc(Oc2ccsc2C(O)=Nc2cc(-c3ccc(CN4CCCC4)cc3)ccn2)cc1"]
["78106442","CCCCCCCCCCCCCCCCCCCCc1ccc(C(=S)/C=C/c2ccc(OCCC)c(OCCC)c2)cc1"]
["151089226","CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)Cl)C1"]
["MCULE-6001629172","CCN(C(=O)c1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccn12)c1ccccc1"]
["60066353","CC[C@@H](O)[C@@H](N=[N+]=[N-])C(=O)c1ccc(Cl)cc1"]
["25610075","CCCCCCCCCCCCOC(=COCC=C=O)CN[C@H]1c2cc([N+](=O)[O-])ccc2OC(C)(C)[C@@H]1O"]
["145527203","O=C(O)Oc1cn(C2CC2)c2nc(N3CCC(NC[C@H]4CN(c5ccc6c(n5)N=C(O)CO6)C(=O)O4)CC3)c(F)cc2c1=O"]
["177552591","CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(CC(O)=N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C"]
["130657706","Cc1ccccc1C(C)(C)C(=O)N1CCCN(c2ccccn2)CC1"]
["116281584","CC(=O)c1ccc(C(C)O)c2c(C)c(C(=O)Nc3cc(C(C)(C)O)c4ccccc4n3)sc12"]
["124206963","CC(N=C(O)C(C)Oc1ccc(F)cc1Cl)C(=O)N1CCCCC1"]
["MCULE-6200102578","CSc1ccccc1-c1c(C)ccnc1NC(=O)c1cc(C)n(C)n1"]
["MCULE-5362051621","COC1CN(C(=O)CCc2ccc(-c3ccccc3SC)cc2)C1"]
["77179858","CC(C)C(N=CO)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["MCULE-4175883035","C[C@@H](CO)N=C(O)c1cn(Cc2cccnc2)c(=O)c2ccccc12"]
["MCULE-5703166887","COC1CN(C(=O)c2c(C)cc(-c3cccc(C)c3F)cc2C)C1"]
["184982694","Cc1c(C(N)=O)sc2[nH]cnc(=Nc3ccc(F)cc3OC3CCC[C@H]4OC(C)(C)O[C@@H]34)c12"]
["116268811","Cc1ccc(N=C(O)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C"]
["21757316","COc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cccc2cccc(Cl)c12"]
["45156060","CC[C@H](N=C(O)c1c(C)nn(C)c1C)C12CC3CC(CC(C3)C1)C2"]
["159010390","C=C(C)C[C@@H](c1cccc(F)c1OC)N1CCOCC1"]
["127541923","COCC(C#N)NC(Cc1ccc(C)cc1)c1ccccn1"]
["177347299","N#Cc1ccc(Nc2nc(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)cc1"]
["26393870","CCCCCC(O)=Nc1ccc2ncn3c(=O)c(C(=O)OCC)cnc3c2c1"]
["171264965","CC(C)(N)[C@H](O)c1cc(CCCOc2cc(-c3ccc(C(=O)O)cc3)ccc2C#N)cc2ccccc12.Cl"]
["50894891","OC(=Nc1ccc(Cl)cn1)[C@H]1Cc2ccccc2CN1"]
["17283021","Cc1nc(-c2ccccc2)sc1C(O)=NCCS(C)(=O)=O"]
["174595961","C=CC(=CCN=C(C)CCNCC/C(=C/N)NN)c1ccc(N2CC(CN=C(C)O)OC2=O)cc1F.CC"]
["51297317","CCOC(=O)c1c(NC(S)=NCc2c(C)nn(CC)c2C)sc(C)c1-c1ccccc1"]
["MCULE-3723104865","Cc1cc(-c2cnn(Cc3ccccc3)c2)cnc1NC(=O)c1nccc2ccccc12"]
["50913558","CCCCn1nc(C(=O)N/N=C\\c2cnn(C)c2)c2ccccc2c1=O"]
["MCULE-4282674200","CCn1cc(-c2ccc(F)c(CC(O)=Nc3nncs3)c2)cn1"]
["MCULE-4314717995","CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)C1c1ccc(C(F)(F)F)cc1"]
["97774856","COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2CO)OCO4)cc(OC)c1OC"]
["34626526","CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1NC"]
["90436386","CC(C(O)=[NH+]c1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1"]
["89386642","CC(=O)c1cc(=O)n(C2CCCCC2)[nH]1"]
["18341460","N=C(O)C1=C2CCC3=C(CN=N3)[C@H]2N(c2cccnc2)N1"]
["74488729","CNc1cccc2c1c(C(=O)N1CCCCC1c1cc(CN=C(O)C(F)(F)F)ccc1F)cn2CCOC"]
["MCULE-4961847843","COCCN=C(O)COc1cn(Cc2ccc(Cl)cc2)c(CSC(C)C)cc1=O"]
["94264671","COc1cccc(CC(O)=NC(C)CCl)c1"]
["30842575","CCCCC1CCN(C(CCO)c2ccc(O)cc2O)CC1"]
["130581855","CN(c1cccnn1)C1CCN(Cc2cccc3c2OCO3)CC1"]
["171750390","O=C(O)c1ccsc1Nn1c(=O)c1=O"]
["55377842","CN(C)Cc1ccccc1CN=C(O)[C@@H]1CCCN(C(=O)c2ccco2)C1"]
["173560161","P=S.[Li+].[Ti]"]
["MCULE-2526095296","CCCCCCN=C(O)C1CC(O)CN1C(=O)c1ccco1"]
["32854055","CCC(O)/C=C(\\C)CC/C=C(\\C)CCC=C(C)C"]
["MCULE-8827556161","COc1cc(F)ccc1-c1cc(C)c(NC(=O)c2ccc3c(c2)OCO3)cc1F"]
["MCULE-3627994348","COc1cc(CC(=O)O)c(-c2cc(C(O)=NCC3CCCO3)cc([N+](=O)[O-])c2)cc1OC"]
["121401312","CC(C)(CO)N=C(O)Nc1ccc(CCC(F)(F)F)cc1"]
["66214267","C=CC(O)=NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["73540499","CC(=O)N1C(=O)CCC1(C)[C@@H]1CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1"]
["159377509","CC(=O)N1CC[C@H](c2cccc(CO)c2)C1"]
["15994935","COc1cc(CN=c2[nH]c3ccccc3c3nc(C)nn23)ccc1OC(F)F"]
["93350690","NCC(c1cncc(Br)c1)N1CCN(C2CC2)CC1"]
["53041372","Cc1cc(B(O)O)ccc1OCCCC1CCCO1"]
["54314540","O=[N+]([O-])c1cc(Br)ccc1N1CCCC1C1CCCC1"]
["13356556","CCCN(CC(F)(F)F)C(=O)CCCC[C@@H]1SC[C@H]2N=C(O)N[C@@H]12"]
["21241660","Cc1cc2[nH+]cn(CC3CCN(C(=O)c4ccccc4F)CC3)c2cc1C"]
["30193079","Cc1ccc(C)c(N=C(O)N2CC(N3CCCc4ccccc43)C2)c1"]
["101784128","CC1CCC(Cn2cc(Cc3ccccc3)c3nc(C#N)nc(-c4cncc(Cl)c4)c32)CC1"]
["124347568","CCn1c(-c2ccco2)nn(CN2CCN(C(=O)c3ccccn3)CC2)c1=S"]
["185539590","O=C1c2cc(-c3ccccc3)ccc2-c2ccc(C3CCCC3)cc21"]
["MCULE-7476207415","COc1ncc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4csc(C)n4)CC3)cc2)c(OC)n1"]
["58942467","Cc1nn(CC(=O)N2c3ccccc3N=C(O)CC2C)c(C)c1S(=O)(=O)N1CCOCC1"]
["56557531","Cc1c(N=C(O)C(C)N=C(O)C2CCN(CC(O)=Nc3cc(C(O)=NC(C)C)ccc3Cl)CC2)cccc1C(O)=Nc1ccccc1F"]
["79173174","O=S1(=O)OSO1.[Na+].[Pd]"]
["187358015","C=CC/C(=C(\\C)c1cccnc1)c1cccnc1"]
["163554918","OC(=NC1CCNCC1F)c1cnn2ccc(N3CCCC3)nc12"]
["79947512","O=P([O-])([O-])C(Nc1nc2ccccc2s1)P(=O)(O)O.[Na+].[Na+]"]
["21541307","COc1ccc(-c2cc(N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ncn2)cc1"]
["MCULE-8175230652","Cc1c(C(O)=NCCc2csc(-c3cccnc3)n2)cccc1-c1cccc(C(=O)N2CCCCC2)c1"]
["187616715","CC(N)CCc1ncc(F)cc1C1CCCN1c1ncn2ncc(C(=O)O)c2n1"]
["164011144","Cn1cc(S(=O)(=O)N2CCCC(c3nc4ccccc4n3C)C2)cn1"]
["158409409","C[C@@H]1C[C@H]1NCC(C)(C)C#N"]
["184133733","OC(=Nc1ccccc1)c1c(-c2ccccc2)cnnc1-c1ccccc1"]
["MCULE-2802595234","CCN(CC)CCN=C(O)COc1cn(Cc2ccccn2)c(CSc2nnnn2C)cc1=O"]
["149487258","CCCCc1nnc(SCc2ccccc2Cl)n1/N=C\\c1ccc(OC(C)C)cc1"]
["MCULE-3781089219","COc1ccc2cc(C(=O)Nc3ccccc3OCC(C)C)n(C)c2c1"]
["159014484","CC[C@@H](C)[C@H]1OC(O)=N[C@H]1c1c(Cl)cccc1Cl"]
["MCULE-7607806396","Cc1ccc(C)c(-c2cnc(C)c(C(O)=NCCc3cccnc3)c2)c1"]
["51223126","CCOC(=O)CC1=C(O)c2ccc(C)cc2N(CC)C1O"]
["112829159","CC(C)(N=C(O)c1ccc(O)c(Cl)c1)c1nccs1"]
["102092651","CC(C)CN=C(O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1"]
["3435005","OC(CCCn1cncn1)=Nc1cccc(COCC2CC2)c1"]
["82395210","CC1(C)CCC2C(=NNC2=C2C=c3ccc(C(=O)O)cc3=N2)C1"]
["94697587","COc1nc2sccn2c1CNCC1(CO)CC1"]
["MCULE-2316300737","Cc1cccc(C)c1N=C(O)CSc1nnc(COc2ccccc2)n1N=Cc1cccc(F)c1"]
["21302109","CC(C)N=C(O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1"]
["63847428","CCNC(Cc1cccc2ccccc12)c1ncccn1"]
["188087761","C=Nc1cc(C(O)CC)sc1/C(=C\\C)c1cc(Cl)cc2c1OC(c1ocnc1CNCCO)C2"]
["MCULE-3720794124","CC(=O)N1CSCC1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnn(C4CCOCC4)c3)cc2)CC1"]
["183964789","CCCCCCOC(CC)(CCCC)C(OCC(C)CCC)(ON=[N+]=[N-])OC1CCCCC1"]
["142766955","Cn1cc(CN2CCCN(C(O)=Nc3ccccc3-c3ccccc3)CC2)cn1"]
["77855230","COc1ccccc1-c1coc2c(C)c(OC)c(C(C)=CC(=O)Nc3ccc(SC)cc3)cc12"]
["6490493","O=C(CSc1ccncc1)N1CCO[C@@H]2CCCC[C@H]21"]
["138021823","COCCC(C)NC(C)c1cn(-c2ccccc2)nn1"]
["158753042","CC(C)N=C(O)NC1(C(O)=NC2CCS(=O)CC2)CCCCC1"]
["MCULE-7944005262","COC(=O)N1CCN(CCC2CCS(=O)(=O)C2)CC1"]
["162306827","C=NN(/C=C(\\C)C(O)=NCC1C[C@H]2CC[C@@H](C1)N2CC(O)=NC(C)(C)C)C(C)C"]
["111631944","CCOCC(NS(=O)(=O)CC)C(C)C"]
["177844950","C=CCCC[C@@H]1CC1OC(O)=N[C@H](C(=O)O)C1CCOCC1"]
["MCULE-9552435240","CCCCc1ccc(C(=O)C=Cc2ccc(OCC(=N)O)c([N+](=O)[O-])c2)cc1"]
["113467311","CCCN=c1[nH]c(C)cn1CC1CN(C)CCN1C"]
["162887660","C[C@H](CO)[C@@H]1CC[C@](C)(O)[C@@H](O)C1"]
["103035446","CN1C=C(c2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C1"]
["MCULE-9450469033","COCCOC(=O)c1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(Cc3ccccc3F)C2=O)cc1"]
["52479231","COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC(=O)N(c3ccc(-c4nc5ccccc5o4)cc3)C2=O)cc1"]
["127855987","CC(C)C(=O)CN1C(=O)C2(CCCc3sccc32)N=C1O"]
["188248740","COc1ccc(Cl)c2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(O)=N[C@@H](CC[C@@H]3CCN=C3O)C(=O)CO)[nH]c12"]
["140115063","CC(NCC1CCOc2ccccc21)c1cnccn1"]
["690460","CCCN(C(=O)COC(=O)CCOc1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N"]
["155866561","C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ncc(Br)cn3)cc2)N1"]
["54310155","Cn1ccnc1-c1sc(N=C(O)c2cccc(OCc3cscn3)c2)nc1-c1ccccc1"]
["32319051","O=C(CC(=O)c1ccccc1)OCCSCCOC(=O)CC(=O)c1ccccc1"]
["3490507","COc1cccc(CNc2cc(N=C(C)O)ccc2C)c1"]
["24893103","C[Si](C)(C)C#CN1CCC1=O"]
["178636728","Cc1cc2c3c(c1)c1cc(Br)cc4c1n3-c1c(cccc1C4(C)C)C2(C)C"]
["182745921","CCOC(=O)CCc1cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1"]
["154631182","COC(=O)C[C@@H]1CCCN1C(=O)C[C@@H](O)COCc1ccccc1"]
["174889527","O=C=NCCCCCCN=C=O.Oc1ccccc1O"]
["174833777","N=c1[nH]cc2nc1C2=O.NN"]
["126726742","CC1(O)CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1"]
["MCULE-3332252213","CCOC(=O)c1c(-c2ccccc2)csc1N=C(O)CSc1nc2ccc(C(=O)N(C)C)cc2[nH]1"]
["175493414","C=Cc1cc(C#Cc2ccc(C(C)=O)cc2)c[nH]1.CCC(C(O)=NC)C(O)=NO.CCOC"]
["63566944","CN(C1CCOCC1)C(CN)c1cccc(Cl)c1Cl"]
["83370791","O=C(CC1CC(O)=NC(O)=N1)N1CCN(c2cccc(Cl)c2)CC1"]
["45897047","CN(C)C(=O)c1cc(N=C(O)CN2CCC(C(O)=NCCC(O)=Nc3cccc(C(=O)N4CCOCC4)c3)CC2)ccc1Cl"]
["5559569","COC(=O)c1ccc(OC(C)C)c(N=C(O)CCc2ccsc2)c1"]
["102225576","Cc1cc(C)c([C@@H](C)N=C(O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1C"]
["133113376","COCc1ccccc1CN=C(O)N1CCCC1C1CCC1"]
["MCULE-7553087003","CCC(NC(=O)c1ccc([N+](=O)[O-])cc1)C(O)=NCC(=O)Nc1ccc(N(C)C)cc1"]
["86735417","c1nc2c(c(OCC3CCOCC3)n1)CNCC2"]
["34685194","Cc1ccccc1C(c1cccn1-c1ccccc1N)N1CCCC1"]
["49185545","COc1ccccc1CCN=C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]
["MCULE-2149853384","COc1c(F)cc(F)cc1-c1c[nH]ccc1=NC(=O)c1cccc(C)n1"]
["124868120","O=C1Cc2ccccc2N1CCN=C(O)Cc1ccc(F)c(Br)c1"]
["80388791","Cc1ccc(OCc2nc(CNCC(C)Cn3ccnc3)cs2)cc1"]
["143889039","CC1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1C"]
["93522536","COc1cnccc1-c1nc2ccc(N)cc2o1"]
["48780290","CCN(CC(O)=Nc1ccccc1OC)Cc1nnc2n(C)c(=O)c3ccccc3n12"]
["139568288","O=S(=O)(c1ccccc1)N1CCC(CN=C(O)C(F)(F)C(F)F)CC1"]
["MCULE-8974764255","Cc1c(F)cccc1-c1ccc(F)c(C(O)=Nc2cccc(C#N)c2)c1"]
["64323115","COc1cccc(-c2nc(OC(=O)C(C)NS(=O)(=O)c3ccc(C)cc3)cs2)c1"]
["122691458","Fc1ccc(C2(NCc3ccc(N4CCCCC4)cc3)CCOCC2)c(F)c1"]
["MCULE-5237256834","CCOC(=O)N1CCCC1C(O)=NCCc1ccccc1"]
["143464504","CCOC(=O)C(C)CNC(=O)c1noc(C)n1"]
["107683852","COc1cc(C)ccc1[C@@H](N)CCC(=O)O"]
["78531553","C#CCOCCOCCOCCOCCn1cc(N(c2ccccc2NC(=O)c2ccc(N=C(C)O)cc2)C(c2ccccc2)c2ccccc2)nn1"]
["113537101","N#Cc1nccnc1N(CC1CCCNC1)C1CC1"]
["492565","Cc1cc(CCCCCCCOc2ccc(C3=NC[C@@H](C)O3)cc2Cl)on1"]
["31937326","Cc1nc(NN=C(O)[C@@H](CNC(=O)O)CC2CCCC2)c(F)c(N2CCN(C)C[C@@H]2C)n1"]
["146971817","CC1NCCCC1N=C(O)C1CN(Cc2ccccc2)CCO1"]
["162374404","NCC/C=C/c1c(Cl)cccc1Br"]
["MCULE-4933359714","CCc1ccccc1N=C(O)COc1cn(CCCO)c(CN2CCN(c3ccccc3F)CC2)cc1=O"]
["98273394","CN1C(=O)CN=C(c2ccc(C(F)(F)F)cc2)c2ccccc21"]
["185963348","O=C(O)NC1CCc2c(C(O)=Nc3ccc(F)c(Cl)c3)ccc(CF)c21"]
["MCULE-2580345339","COc1ccc(CC(CO)S(N)(=O)=O)c(OC)c1"]
["159827440","Cc1cccc(CCCOC(O)=NC(C)C23CC4CC(CC(C4)C2)C3)c1"]
["87362511","CC1CC(C#N)(Nc2ccccc2F)CC(C)O1"]
["25093826","CCCCCC=CCC=CCCCCCCCC(=O)OC(=O)C(CCCC)CCCCCCCCCCCCCCCC=O"]
["MCULE-9933944253","CCS(=O)(=O)N(CC(O)=Nc1ccccc1F)C(C(=O)Nc1ccc(Br)cc1)c1ccccc1"]
["125214840","Cc1nn(C(C)(C)C)cc1C(C)N=C(O)CCNC(=N)O"]
["187275038","CC1(O)CNCC12CC2"]
["104841958","Clc1ccc2c(c1)[C@H](NC[C@H]1CCCOC1)CCS2"]
["MCULE-7413996209","O=C(N=c1cnc(-c2ccc(C(=O)N3CCOCC3)cc2)c[nH]1)c1ccncc1F"]
["45212170","NC1CCC(O)=NC1c1ccc(Br)s1"]
["157893033","C=CCC(CCC(OC)OC)OC.C=CCC(CCC=NO)OC"]
["MCULE-8294629358","CCCOc1cccc(C(=O)Oc2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3c2)c1"]
["169964905","C=CCOC(=O)c1ccc(CN=C(O)OC(C)(C)C)nc1"]
["59535787","C=CCn1c(=NC(=O)CSCC(=O)N2CCC(C)CC2)sc2cc([N+](=O)[O-])ccc21"]
["12100589","OC(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)=NCc1c(F)cccc1F"]
["134102194","COC(=O)c1ccccc1N=C(O)Cn1ccc2c([N+](=O)[O-])cccc21"]
["180064650","CCOC(=O)C(C(=O)CCC(=O)O)[N+](=O)[O-]"]
["171461536","CPc1nccnc1C(C)(C)C"]
["14149473","CC[C@H](C)c1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1"]
["118730109","COc1ccc(CNC(=NCCc2ccco2)NCCOCCO)cc1.I"]
["187966782","Brc1cnc2c(=NCc3nc4ccccc4[nH]3)nc(N3CCOCC3)[nH]n12"]
["164912598","CC(C)[C@@H](C)[C@@H](O)[C@@H](O)[C@@H](C)C1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3(C)CC[C@]12C"]
["6103870","CC(O)=N[C@H](C(O)=N[C@H](C)c1cc(C)oc1C)C1CCCC1"]
["100469519","CCCCCOC(=O)C(CCC)N=C(O)OC1CC(C)CCC1C(C)C"]
["52153160","C=CCN(C(=O)C1N(CCO)C(=O)[C@@H]2[C@@H](C(=O)O)[C@@]3(C)CCC12S3)C1CCCCC1"]
["176509574","COC(=O)c1cc(N2CCC(OCC(C)C)CC2)c(C(N)C(C)C)c(Nc2ccc(F)cc2)n1"]
["194873672","COc1ccc(C=CC(=O)c2ccc(O[C@@H]3O[C@H](COC(=O)C=Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2O)cc1O"]
["176189395","C=COC(=O)c1ccco1.C=Cc1ccoc1C(=O)O"]
["7212927","CCCCOc1ccc(Br)cc1C(O)=NC(=S)Nc1sc(C)c(C)c1C(N)=O"]
["148645353","Cc1cc(C(C)C(CCCl)CCCCl)cc2c1OC1OC2Oc2c(C)cc(C(O)C(CCCl)CCCCl)cc21"]
["149718997","CC1COCCN1c1cc(=O)n2c(n1)N(CC(O)=NC(=N)C1CC1)C(C(F)(F)F)CC2"]
["106136708","CCCN[C@@H](C#N)CCN(CC)CC(F)(F)F"]
["182012600","Cc1c(O)cccc1C1(c2ccccc2)CCN(C)CC1"]
["52344429","O=C(CSc1ccccc1C(O)=NCCc1cc(F)cc2c1OCOC2)N1CCc2ccccc21"]
["164449019","CC(=N)c1cc(/C=C/c2c[nH]c(=Nc3cncc(C(=O)N(C)C)c3)cn2)ccc1N"]
["MCULE-2455408108","Cn1nc(C2CC2)cc1NC(=O)Cc1ccc(-c2cccc(F)n2)cc1"]
["54010133","COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCn4nnc5ccccc54)ccc31)[C@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(OCCO)cc1"]
["8396110","Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(O)=Nc3cccc(C(F)(F)F)c3)o2)cc1"]
["29157366","COc1c(CC(=O)O)cccc1-c1nc2ccccc2n1CC(=O)O"]
["74457866","N[C@@H](Cc1ccccc1)C(=O)c1c(N2C(=O)CCCC2=O)ccc2nc3ccccc3cc12"]
["116505101","CN=C(NCCS(=O)Cc1ccccc1)Nc1ccc(OC)c(OC)c1"]
["129232078","Cc1cc(Br)cnc1N=C(O)COCC1CC1"]
["MCULE-4459616364","Cc1ncccc1-c1cccc(N=C(O)c2ccc3nccn3c2)c1C#N"]
["77261547","Cc1nn(Cc2ccccc2)c(C)c1CN=C(O)C1CNNC1c1ccc(F)cc1"]
["98798090","CC.O=C1CCCc2cc(OCc3ccccc3)ccc21"]
["9341647","CC(C)CNC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1"]
["64356734","CCCn1cc(S(=O)(=O)N2CCC(N)C2)nc1C"]
["8919918","Cc1ccc(-c2nn(Cc3cccc(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1"]
["140118590","CCN(C(=O)CCN=C(O)C=Cc1ccco1)C(C)c1ccc(F)cc1"]
["85118261","CNC(C)Cc1nc(C(C)OC)no1"]
["137399366","Cc1cccc2nc(CN=C(O)NC(C)c3cccc(-n4ccnc4)c3)cn12"]
["21390491","CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(F)c1)N1CCOCC1"]
["189159996","c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c54)n3)c2)cc1"]
["88482146","COC(=O)c1ccccc1CSc1ccc(N)cc1C"]
["184903063","COC(=O)CN=C(O)c1c(F)cccc1F.Cc1cc(C(F)(F)F)c(-c2ccc(C)c3cccnc23)nc1C"]
["MCULE-4588442581","CCOc1ncccc1-c1c(F)cc(F)cc1C(=O)N=c1cncc[nH]1"]
["184280550","O=C(CCl)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)CO)cc2)cc1"]
["86241399","Cc1ncsc1CN(C)Cc1cc(CN)sc1C"]
["97345792","O=S(=O)(O)c1nc(-c2ccc3c(c2)-c2ccccc2C3)c2nonc2c1-c1ccc2c(c1)-c1ccccc1C2"]
["48818378","CSc1nnc(SCC(O)=Nc2sc3c(c2C#N)CCCC3)s1"]
["199718420","Cc1cccc(N2CC(C(=O)O)CC2=O)c1I"]
["109672037","CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(O)=NCc1ccc(-n2cncn2)cc1"]
["131871865","N=C(O)COc1ccc(C=CC(O)=NCCc2ccc(Cl)nc2)cc1"]
["99301179","COC(=O)CNCCC(c1ccccc1)c1ccccc1"]
["141452716","CCn1cc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cn1"]
["106867591","CC[C@](C)(CC(=O)OC)N=C(O)CN1C(=O)C2(CCC(C)CC2)N=C1O"]
["82630685","CC(NC(c1ccc(C(=O)N(C)C)cc1)C(C)(C)C#N)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1"]
["156342429","Cc1ncc(CNC(=N)N)o1"]
["50365143","Cc1ccccc1[C@H]1N(c2ccccn2)C(=O)[C@@H]2CCCN21"]
["75723910","C=C(O)c1ccc(-c2cnc3nnc(C4(c5ccc(OC)cc5)CC4)n3n2)cc1"]
["MCULE-9746162609","COc1cc(F)ccc1C(O)=Nc1ncc(-c2cccn2C)cn1"]
["144618882","Br.CCOC(=O)C(C([O-])=N/N=C/c1ccc([N+](=O)[O-])cc1)[n+]1ccc2ccccc2c1"]
["45394107","CN(C(O)=NC(=O)O)c1ccc(Cl)cc1C(=O)c1ccccc1"]
["199950640","CCCCCC(CCCCC)CCOC(=O)CCCCCCCNCCCCCCCC=O"]
["14606552","N=C(NOCc1cccc2cccnc12)c1cccc(OCc2cccnc2)c1"]
["9354977","N#Cc1ccccc1S(=O)(=O)N1CCC(C(O)=N[C@@H]2CCSc3ccccc32)CC1"]
["106084755","C[C@H](c1ccccc1Cl)N(C)C[C@@H]1CCCCN1"]
["49374735","Cc1cc(OCC(=O)OCC(O)=N[C@](C)(C#N)C2CC2)ccc1C(C)C"]
["51381472","NC(Cc1ccccc1)C(O)=NC(Cc1ccc(O)cc1)C(O)=NCC(O)=NC(Cc1cnc[nH]1)C(=O)O"]
["165209634","CC(C)C[C@@H]1COc2ccc(Cl)cc2C(O)=NCCCCN(C(=O)Cc2cccc(Cl)c2)CC(O)=N1"]
["117661617","Cc1c(CNCC(O)COc2ccc(F)cc2)cc(C#N)n1C"]
["MCULE-6090748605","CC(O)=Nc1ccc(-c2ccc(N=C(O)c3cnc4ccccn4c3=O)nc2)cc1"]
["MCULE-9493282838","CC(O)=Nc1ccc(-c2cn(C)[nH]c2=NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1"]
["MCULE-1570128835","COc1cc(C(=O)OCc2cc(F)cc(Br)c2)ccn1"]
["186247094","COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N(C(O)(O)O)C3(C)COC3)nn1-c1ccsc1)CO2"]
["MCULE-3597512717","CCOC(=O)c1c(NC(=O)C(C)(C)c2cccc(Br)c2)sc(C(=O)OC(C)C)c1C"]
["177327593","Cn1nc2c(c1NS(=O)(=O)c1cnn3ccccc13)CCC2"]
["99272460","CN(CCCCON)C[C@H]1O[C@@H](N2C(=O)N=C3C(=N)N=CN=C32)[C@H](O)[C@@H]1O"]
["21979498","Cc1ccc2nc(O)c(CCC(O)=[NH+]CCN3CCOCC3)cc2c1"]
["7226650","N=C(O)Cc1ccc(OCC(O)=NCc2nnc3n2CCC3)cc1"]
["191165347","C=[N+]=CC(=[OH+])CC[C@H]([N-]C(=O)OCc1oc(=O)oc1C)C(=O)OCC"]
["51599881","OC(=NCc1ccncc1)NCc1cccnc1-n1cccn1"]
["149086892","CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)OCCCCC(=O)O)c3C[C@H]2C[C@H]1O"]
["61598507","Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Br)cc2)c(NCCCN2CCOCC2)o1"]
["107806316","CCc1ccc(C(=N)O)c(C)c1[C@H]1CCNC1"]
["78799915","c1ccc([Si]2(c3ccccc3)c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)[Si](c7ccccc7)(c7ccccc7)c7cc(-n9c%10ccccc%10c%10ccccc%109)ccc7O8)cc6c5c4)ccc3Oc3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1"]
["MCULE-8176652977","COc1ccc(NC(=O)c2ccc(C)cc2)cc1-c1cccc(C)c1C"]
["109171583","O=C(COC(=O)c1cc(-c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1"]
["160033103","Cc1ccc(N=C(O)C2C3CCCOC32)c(C)c1O"]
["189931355","C=CCOc1c(C(OC)C2CCNCC2)cc(Cl)c(Cl)c1F"]
["172320978","CCCCCCCCCCCC(O)=NCCC(C(=O)O)N(CC)CC"]
["43329322","CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)C4(O)CC(O)CC[C@]4(C)[C@H]3CC[C@]12C"]
["106149810","CC(C)N[C@H](CCN1CCC(C)(C)CC1)C(=O)O"]
["173337996","CC.CCCCCCCCCCC/C(=N\\OC(=O)CCCC(=O)O)c1cc(C)ccc1O"]
["94318229","CC(OS(C)(=O)=O)c1ccc(OCc2ccccc2)cc1"]
["68922473","Cc1nn(C)c(N2CCCCCC2C)c1CN"]
["MCULE-3464844347","CCCCCCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cc(C)ccn2)cc1"]
["148058133","c1ccc2c(c1)-c1ccccc1C2N1CCC(C2CCCN2)CC1"]
["177251307","COc1ccc(C2c3c(C)nc4sc(C(C)=O)c(N)c4c3CC(C)(O)C2C(C)=O)cc1"]
["MCULE-8035244836","CCC(Nc1cccc(-n2cnnn2)c1)C(=O)OC1CCCCC1"]
["184840067","[C-]#[N+]c1cccc2c1c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c(C#N)c2)cc1"]
["136194203","CN(Cc1ccc(-c2ccccc2)cc1)C(=O)C(=O)Nc1cnn(C(C)(C)C)c1"]
["158562895","Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C#N)c(Cl)c1"]
["155905631","C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(F)c3)c2)N1"]
["MCULE-4620400140","COc1ccc(F)c(F)c1-c1cc(F)cc(C)c1NC(=O)C1COc2ccccc2C1"]
["MCULE-6931569479","COc1ccc(Br)c(Cn2nc3c(c2C#N)C2CC2C3)c1"]
["176672697","CCOC(=O)[C@H](O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)OCc1ccccc1)[C@@H](C)CC"]
["110951006","CCCN(CCCN(C)C)C(=O)C(c1ccccc1)N1CCCCC1=O"]
["51159122","CCc1cccc(CC)c1N=C(O)C1CCCN(Cc2nc(-c3ccc(C)cc3)no2)C1"]
["139626812","CCN(CC(=O)N1CCOCC1)C(C)CS(=O)(=O)CC"]
["MCULE-2261939177","Cc1cccc(-c2ccccc2CN(C)C(=O)CN2CCOCC2)c1C"]
["173645435","COc1cc2nccc(Oc3ccc(N=C(O)Oc4ccccc4)c(Cl)c3Cl)c2cc1C(=N)O"]
["60043160","CCCSP(=O)(OCC)Oc1ccccc1C(C)CC"]
["MCULE-2259245394","CC(O)=Nc1ccc(C)c(N=C(O)Cc2ccc(NC(=O)CCc3ccc(C)cc3)cc2)c1"]
["165316082","CCc1noc(CN2C[C@H](c3cc(F)cc(F)c3)[C@H]3[C@@H]2C2CCN3CC2)n1"]
["194523453","Cc1cc(C)cc(N(N)Cc2ccc(I)cc2)c1"]
["83837104","CCOC(=O)c1cc(C#N)c(SC(C)C(O)=NCC(C)C)nc1C"]
["194656316","CNC1c2ccccc2C2C(c3ccccc31)C2(F)F"]
["66516585","Cc1ccc(NC(=O)C2CCCN2C(=O)C2CCN(CC(O)=Nc3cc(C(O)=Nc4ccc(F)cc4F)ccc3C)CC2)cc1C"]
["164194207","CCC(C)N(C)C(=O)C1CC2(CC(NC(=O)c3cc(C)on3)CCS2(=O)=O)C1"]
["103258250","C[C@@H](O)[C@@H](N=C(O)c1cc2ccccc2oc1=O)C(=O)O"]
["183671372","[N-]=[N+]=Nc1ccc2c(c1)C(Cc1ccccc1)NC2"]
["101064002","C[C@](O)(CO)n1cc(C2C=CC=C2)nn1"]
["185726100","O=C(O)C1=C(C=Cc2cc(-c3ccncc3)no2)CS[C@@H]2[C@H](N=C(S)Cc3ccccc3)C(=O)N12"]
["2408778","CC(C)(C)CC(O)=[NH+]CC(O)=Nc1ccccc1CN1CCCC1"]
["148284471","CC(C)(C)CCC(N=C(O)CN=C(O)Cc1cccc(F)c1)C(=O)O"]
["53155975","CC(=O)OC1CC2C(C)C(C)C(C1)[N+]2(C)C"]
["140172028","OCCCCCCn1cc(CCO)c(C(F)(F)F)n1"]
["MCULE-7151565706","CC(C)c1ccc(-c2cc(F)c(N=C(O)C3CCCCN3C)c(F)c2)cc1"]
["62526221","Cc1cccn2c(=O)c3cc(C(=O)N4CCC(C)CC4)n(C)c3[nH+]c12"]
["78039663","O=C(O)C(=O)NC(Cc1ccc(OCC(=O)c2ccc(C(F)(F)F)cc2)cc1)C(=O)O"]
["52360987","NCN1C[C@H]2CC[C@@H](C1)C2c1ccccc1"]
["6374342","O=C(NN=C(O)Cn1ccc(O)nc1=O)c1cc2c(s1)CCCCC2"]
["104739957","NC1(C(O)=NC[C@H]2CCN(C3CC3)C2)CCCCC1"]
["114816763","CC1(C)CC1c1nc(C2CCCN2)cs1"]
["104550124","CC[C@H](CO)N=C(O)[C@H]1CC(=O)N(C(C)C)C1"]
["122245582","COc1cc(F)c(NC(O)=NCC2(O)CCOC2)cc1F"]
["MCULE-4689720772","Cc1cnccc1CN1CCN(CC2CCN(C(=O)C3(F)CC3)CC2)CC1"]
["63818798","COc1cc(/C=C2\\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc(I)c1OCc1cccc2ccccc12"]
["8093169","C[NH+](C)CCN(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]"]
["103588226","CCOc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccoc3)CC2)cc1"]
["141647209","COc1ccc(Cl)cc1N(C)C(=O)c1cc(C)ccc1F"]
["95554425","CNCc1cc(S(=O)(=O)NC(C)C2CCOC2)ccc1C"]
["108431588","Cc1nn(C)c(Cl)c1/C=C\\C(O)=N[C@H](c1ccc(F)cc1)C1CCCC1"]
["10850689","Cc1nn(-c2ccccc2)c(C)c1/C=C(\\C#N)C(=O)OCC(O)=NC(C)(C)C"]
["12632542","O=[N+]([O-])c1cc(N=C(O)CSCCCNc2ncccn2)ccc1Cl"]
["67709837","CC(C)O[C@H]1O[C@H](COS(=O)(=O)[O-])C(O[C@H]2O[C@@H](C(=O)[O-])C(C(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NS(=O)(=O)[O-]"]
["21220959","Cc1csc(=O)n1CCC(O)=NC[C@@H](c1ccccc1)N(C)C"]
["157438604","COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCNC[C@@H]2C)cc1Cl"]
["8512433","CCCCOC(=O)[C@H]1CS[C@H](CC(C)C)N1C(=O)c1cccc(C(F)(F)F)c1"]
["125938907","OC(=NCCN=C(O)c1ccccc1)NCC(O)c1c(Cl)cccc1Cl"]
["165520995","Cc1cc(C(C)(O)CNc2cc(C)c([N+](=O)[O-])cn2)c(C)o1"]
["7842730","CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1"]
["MCULE-5871968755","Cc1ccc(-c2cccnc2OC(C)C)c(NC(=O)c2ncccc2F)n1"]
["104930421","COc1ccc(Cn2c([C@@H](C)N=C(O)c3ccccc3Cl)nc3ccccc32)cc1"]
["1158402","CCOc1ccc(-c2nc(Cn3[nH]c(=N)cc3C)co2)cc1"]
["195293868","CC/C(=N\\Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C(O)=Nc1ccccc1OCCO"]
["17112401","COc1ccccc1CN1CC[NH+]=C(O)[C@@H]1CC(O)=NCc1c(F)cccc1F"]
["MCULE-5556636859","CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)C2c2ccc(C(C)(C)C)cc2)ccc1Cl"]
["61388182","CC(C)c1ncc(N)c(C(=O)NCC2CCCCC2)n1"]
["175213112","CC(C)Cc1cccc(N(c2cccc(C(C)(C)C)c2)c2ccc3c(-c4ccccc4)c4cc(N(c5cccc(CC(C)C)c5)c5cccc(C(C)(C)C)c5)ccc4c(-c4ccccc4)c3c2)c1"]
["136759800","CCCC(Cc1ccccc1)N=C(O)Nc1c(C)n[nH]c1C"]
["8598046","O=S(=O)(CCN=C(O)NCc1cn2ccsc2n1)c1ccc(Cl)cc1"]
["88927069","Nc1cccc(Cn2c(CCO)nc3ccccc32)c1"]
["160929146","CC1CCN2C(C1)C(O)=NC21CCN(CC(F)F)CC1"]
["MCULE-5161059865","COc1cc(C)ccc1C(O)=Nc1cnc(C)c(-c2cccc(C(=O)N(C)C)c2)c1"]
["27282392","COc1ccc(-c2csc(N=C(O)[C@H]3CCCCN3S(=O)(=O)c3cccnc3)n2)cc1"]
["97049694","CCN1/C(=C\\C=C2/CC/C(=C\\C=C3/N(CC)c4ccc(N=C(C)O)cc4C3(C)C)C2=O)C(C)(C)c2cc(N=C(C)O)ccc21"]
["10008317","CCN(CC)CCN(C(=O)Cc1c(C)cc(C)cc1C)c1[nH+]c2c(OC)ccc(Cl)c2s1"]
["61852426","COCC(C)OC1=C/C(=C(/N)N=O)c2ccccc2N1"]
["16213899","C[C@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(Cl)c1"]
["110883910","COC(=O)c1ccc(/C=C/[N+](=O)[O-])c(OC)n1"]
["176797949","CCC1(CCN)COc2ccc(C)cc21"]
["82533707","Nc1ncc(-c2cccc(CNS(=O)(=O)c3cccs3)c2)nc1C(O)=NC1CCCNC1"]
["61362977","COc1ccc(-n2c(C)c(C)c(C#N)c2N=C(O)Cn2c(-c3ccccc3C)noc2=O)cc1"]
["161352942","Cc1cc2cccnc2n1C(C)C"]
["15376169","C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)S(=O)(=O)c1ccc(F)cc1"]
["MCULE-7790160591","Cc1ccnc(C(O)=Nc2ccc(-c3cccnc3F)cc2)c1"]
["13308541","Cc1ccc(N2C(=O)CCC2=O)cc1N=C(O)/C=C/c1ccc(Cl)cc1"]
["MCULE-5900578909","COc1cc(C)ccc1-n1nc(C2CCOCC2)c(C#N)c1N"]
["196987671","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)OC(COCCCCCCCCCC/C=C\\CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C"]
["197837312","Cc1nc(C2NC(Br)C=C(O)C2=O)no1"]
["MCULE-7643055750","Cc1cc(-c2cnc(NC(=O)c3nn(C)c4ccccc34)nn2)cnc1F"]
["165934242","COc1ccc2nc(C(=O)NCC(=O)N3CCCC3)ccc2c1"]
["69462237","O=C1C(N=C(O)Cc2cccc(F)c2)CCN1c1ccccc1"]
["199989126","CNc1cnn(C2CCN(SN(c3ccc(C#N)cc3)C3CC3)CC2)c(=O)c1Cl.FC1CCCOC1"]
["4936372","CN(C)CCN(Cc1cccc(C#[NH+])c1)C(=O)c1cc(=O)n(C)c2ccccc12"]
["57125155","CCN(CC)CCNC1(C#N)CCC(C(F)(F)F)CC1"]
["158473316","CCC(=O)N1CCC[C@H](C(O)=Nc2nc(C)cc(C)n2)C1"]
["163080188","N#CC(=O)c1cc(Br)c2c(c1)CCO2"]
["97379577","NP1C2P=CP=CP21"]
["183800640","CC(=Cc1c2c(c(OC(=O)Oc3ccccc3)c3c(Br)cccc13)C1CCC2C1C)C(=O)O"]
["133018089","O=C(Nc1cnn(Cc2ccccc2)c1)C(=O)NC1(c2cccc(Cl)c2)CC1"]
["23818620","CCCCN1CC(CC)C(C(=O)c2ccc(Cl)cc2)(c2ccccc2)C=C1c1ccccc1"]
["158698124","CC1(C)CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1"]
["MCULE-3480826071","COc1ncccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)=O)cc3)CC2)cc1"]
["113693806","CCNC(CC)CCCOc1ccccc1C(F)(F)F"]
["MCULE-6596640596","CC1COCCN1C(=O)C1(c2cccc(Cl)c2)CC1"]
["165074912","CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCC(C(=O)O)[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCCCCCC"]
["118601481","CN=C(NCCCN1CC(C)CC(C)C1)NCc1ccccc1Cn1cccn1.I"]
["101639943","COCCOc1cc(C(O)=NC2CCCc3ccccc32)cc2oc(Br)cc12"]
["99031286","O=C(c1ccncc1)c1ccc(NC(c2cn[nH]c2)c2ccccc2C(F)(F)F)cc1"]
["123419466","O=C(C(=O)N1CCc2c(ncn2CCc2ccccc2)C1)c1ccc2c(c1)CCC2"]
["68510518","CCC1CCCN1CCCCC(=N)N"]
["112153429","CCC(CO)(CO)N=C(O)c1ccnc(F)c1"]
["88163169","COc1ncnc2c(C(C)N)c[nH]c12"]
["85221386","CNC(Cc1nn(C)c2ccccc12)c1ccc(F)cn1"]
["69243415","Cc1ccc(NC(=O)N2CCSCC[C@@H]2CN2CCCC2)cc1C"]
["148240730","COCc1cc(N=C(O)c2cnn(C)c2-n2c(C)ccc2C)cc(C(=O)O)c1"]
["MCULE-8695717798","OC(CCn1cnc2ccccc21)=NCC1(F)CCN(Cc2ncccc2F)CC1"]
["117513121","COc1ccccc1CCC(=O)N(C)CCN1CCCC1"]
["46190915","CCC(C)N=C(O)c1cc(N=C(O)C(C)N2CCC(C(O)=NCCC(O)=Nc3cccc(C(O)=NC)c3)CC2)ccc1Cl"]
["144436847","Cn1cc(C(NC2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cn1"]
["183768958","[N-]=[N+]=NCOc1ccc(COC=CCl)cc1"]
["74795770","CS(=O)(=O)OCCOc1cc(C(O)=NC(=N)N)cc(-c2ccccc2)c1"]
["75487282","C[C@@]1(Oc2cc(NS(=O)(=O)c3cc(-c4ccc(Cl)cc4Cl)c(Cl)s3)ccc2C(F)(F)F)CCNC1"]
["68322873","O=P(Oc1ccccc1)(Oc1ccccc1)OC1[C@@H](OCc2ccccc2)[C@H](O)C(OCc2ccccc2)[C@H](O)[C@@H]1OCc1ccccc1"]
["MCULE-6315837498","O=C(Oc1ccc(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cc1)c1ccc([N+](=O)[O-])cc1"]
["60595388","CCOC(=O)Cn1c(=NC(=O)CS(=O)(=O)CC(=O)N2CCCCC2)sc2cc(OCC)ccc21"]
["161149681","CCC(COC)NC(O)=NC[C@@H]1C[C@H](F)CN1Cc1cc(C)no1"]
["18985878","O=c1ccc(C(O)=NCc2ccccc2)cn1CCN1CCOCC1"]
["167138201","CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(N=C(O)C4CCCC4)c3C2=O)ccc1OC"]
["146797396","CNC(C)Cc1noc(CC(C)(C)c2ccccc2)n1.Cl"]
["151873835","Cc1[nH]nc(O)c1[C@H](C1=C(O)N=N[C@H]1C)c1ccc(I)cc1"]
["74582841","CON=Cc1c(N)ncnc1Oc1ccc2[nH]ccc2c1F"]
["104947191","O=C(Cn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21)N1CCCCC1"]
["28503491","CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cnc(C)cn2)c2ccccc21"]
["55475207","O=C(NC(CO[C@@H]1C(CO)O[C@@H](O)[C@H](O)[C@H]1O)CO[C@H]1C(O)C(O)[C@H](O)O[C@@H]1CO)c1ccc(C2(C(F)(F)F)N=N2)cc1"]
["157338193","COc1ccc(SCCC(O)=N[C@H](CCC(=O)O)c2ccccc2)cc1"]
["43930401","Cc1cccc(N=c2[nH]c(-c3ccccc3)c(CC(=O)O)s2)c1"]
["12812173","CC(=O)CCc1ccc(OCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1"]
["105711712","CC(=O)c1ccc(OCC(O)=NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1"]
["57886891","CCCCC(C)NC(=O)c1ccc(/C=C/C(=O)O)s1"]
["191261464","Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CC(F)(F)c5ccccc5C)C4)cc32)ccn1"]
["113718971","Cc1ccc(C(=N)O)c(OC2CCC(CO)CC2)c1"]
["86410355","CCOC(=O)CN=c1nc(NN)[nH]c(OC(C)C)n1"]
["MCULE-6065003367","Cc1cc(C(=O)Nc2cccc(-c3cccc(CC(=O)O)c3)c2)no1"]
["65602712","COc1ccc([C@H]2CC(c3c([O-])nc(=O)n(Cc4ccccc4)c3O)=NN2)c(OC)c1"]
["21170764","CCN1CCN(C2(C(O)=[NH+]Cc3csc(C)n3)Cc3ccccc3C2)CC1"]
["181722121","CCN(CC)C1CCC(NC2=CC(Br)(c3ccccc3O)Nc3ccccc32)CC1"]
["162985775","CCc1ccc2c(c1)C(Br)CCO2"]
["30723877","COc1cc([C@@H](O)[C@@H](CCCc2ccccc2)C(=O)Nc2ccc(CC(=O)O)cc2)cc(OC)c1C"]
["MCULE-7930893681","CSCCC(N=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(O)=NCCN1CCc2ccccc21"]
["MCULE-2128419307","O=C(O)Cc1ccc(-c2cc(C(O)=Nc3cccc4cnccc34)cc([N+](=O)[O-])c2)cn1"]
["187037010","NC1NCNC2C1CCN2C1O[C@H]([C@@H]2OCCCC3CC(Cl)CCC32)[C@@H](O)[C@H]1O"]
["MCULE-8397588281","COc1ccc(-c2cccc(OC)c2F)c(NC(=O)c2cccc(N(C)C)c2)c1"]
["MCULE-8655366095","CCCCc1ccc(NC(=O)C(C#N)=CNc2ccc(Nc3ccccc3)cc2)cc1"]
["186694977","Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2cc3oc4c(ccc5oc6cc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)c7ccccc7c6c54)c3c3ccccc23)c1"]
["128965448","Cc1nc(CN2CCCN(C(O)=N[C@H](C)c3ccccc3)CC2)no1"]
["144688369","Nc1nn(C2CCCC2)c(N)c1CCO"]
["184040369","O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1"]
["122377793","CCOC(C)c1noc(CSC(C)C(O)=Nc2cc(F)ccc2F)n1"]
["113695694","CCC(O)CCCn1nc(C)c(C)c1C"]
["172847321","COCCN1C[C@@H]2C[C@]1(c1cnc(C34CNC(C3)C4)nc1-c1cnc(=N)[nH]c1)CN2"]
["4443904","C[C@H](N=C(O)/C=C/c1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCO2"]
["57806609","Cc1ccc(C2Nc3c(C(=O)O)cccc3C3C4CCC(C4)C23)cc1"]
["116016613","CCCN=C(O)C1CC1C(O)=Nc1ccccc1N1CCOCC1"]
["173813310","CC(F)c1nc(C(=O)O)c2ccc(N3CCC4(CC3)CC(=Cc3c(-c5ccccc5C(F)(F)F)noc3C3CC3)C4)cn12"]
["138106852","O=C1N=C(O)CN1CC(O)=NNc1ccc(F)cc1F"]
["87015343","O=C(Nc1c(F)cccc1C(=O)O)c1ccco1"]
["145156495","CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O.CC1=CCCC(C)=CCC(C)(C)C=CC1"]
["62041796","O=C(O)C1CSCN1C(=O)Cc1ccc(Br)cc1"]
["182350303","COC(ON=[N+]=[N-])C(O)C(OCCCN1CCOCC1)(OCc1ccccc1)N1CCOCC1"]
["145400903","NCc1cc(C(F)F)nc(O)c1C=O"]
["163816841","NS(=O)(=O)Cc1cccc(C(=O)N2CCOC(C3CC3)C2)c1"]
["137746763","CC(C)n1cc(Br)cc1C(=O)NC1CCN(c2cccs2)CC1"]
["87711211","O=C(Cn1cc(C(=O)O)nn1)OCCCc1ccccc1"]
["43168949","CC1CCC(CO)(N=C(O)C2(N)CCCCC2)CC1"]
["50208592","COC(=O)c1c(-c2ccc(C)cc2)csc1N=C(O)CSc1nnc(C(C)Oc2ccc(F)cc2)n1C"]
["83949529","CC[Si](CC)(CC)OC(C)c1cccn1C"]
["165040564","O=C(CCSc1n[nH]c(N/N=C\\c2ccccc2OCc2ccc(Cl)cc2)n1)Nc1ccc([N+](=O)[O-])cc1"]
["MCULE-3779808176","O=C1C(=Cc2ccc[nH]2)SC(=S)N1C1CCCCCC1"]
["171154452","COc1ccc([N+](=O)[O-])cc1N=C(O)CCN1CCN(C)CC1.O=C(O)C(=O)O"]
["MCULE-8245702990","CCOc1ncccc1-c1cc(F)cc(C)c1N=C(O)Cc1ccc(F)c(F)c1"]
["62061701","Cn1cc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)NCc2ccco2)n1"]
["146831568","Cc1ccc(CN(C)C2CCCNCC2)cc1F.Cl"]
["MCULE-2013162420","CC(=O)c1ccc(C(O)=Nc2ncc(F)cc2-c2ccco2)cc1"]
["MCULE-5682152015","COc1ccc(S(=O)(=O)CCC(O)=NC(Cc2ccc(F)cc2)C(=O)N2CCCC2)cc1Cl"]
["132027894","COC(=O)CN(C1CCCC1)S(=O)(=O)CC1CCCC1"]
["106730371","COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)C(C)C)nc21"]
["MCULE-7102152665","COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2[N+](=O)[O-])cc1CCC(=O)O"]
["45976371","CCC1CCCN(c2ccc(CO)nn2)C1"]
["57507843","C[N+]1(C)CC[N+](C)(CCNC(N)=[NH2+])CC1"]
["MCULE-2695053010","CCc1ccc(N2C(=O)C(Nc3cc(C)c(Br)cc3C)=C(c3ccccc3OC)C2=O)cc1"]
["165320889","CCC(CC)N1C[C@@]23C=C[C@@H](O2)C(C(=O)N(C)Cc2noc(C4CCC4)n2)C3C1=O"]
["161554233","CC1CC[C@@H]([C@@H](C)N=C(S)NC(c2ccccc2)(c2ccccc2)C2CCCN2)C1P(c1ccccc1)c1ccccc1"]
["154177896","O=C(CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1"]
["164354224","CNc1ccc(C(=O)O)cc1C=N"]
["176988592","OC(=NCc1nc(CN2CCCC(n3ccc(C(F)(F)F)n3)C2)cs1)c1ccccc1"]
["178039424","CCCCCCCCCC(O)=Nc1ccc(NCCc2ccc(C(F)(F)F)cc2)cc1N"]
["5243499","COc1ccccc1C([O-])=N/C(=C/c1ccc2c(c1)OCO2)C(O)=N[C@H](CC(C)C)C(=O)O"]
["MCULE-2110502618","COc1cc(-c2cc(C)cc(C)c2)cnc1N=C(O)CC1CN(C(=O)OC(C)(C)C)C1"]
["21705452","Cc1nnc(O)c2c1[C@@H](C)O/C2=N\\C(=O)CSC1=NN[C@@H](C)S1"]
["151016421","CCN1C[C@H](O)CN=C1O"]
["68007434","CCc1nnsc1-c1nc(CC2CCCNC2)no1"]
["MCULE-2793295446","CCOC(=O)c1csc(NC(=O)c2ccc(OC(C)=O)cc2)n1"]
["2742855","CC[NH+](C[C@H](O)COc1ccc(F)cc1)C[C@H]1COc2ccccc2O1"]
["179773162","CCC(C)(CC)C(C)(C)C(=O)OC12CCC3CCC1CC3C2"]
["MCULE-7603782833","COc1ccc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cnc3ccccc3c2)c1"]
["187846771","COCCOCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(Cl)c4nccnc4c3)C[C@@H]2c2ccccc2)n[nH]1"]
["MCULE-2104283047","Cc1cc(C)n2ncc(C(=O)N3CCC4(CCN(C(=O)c5ccn(C)n5)CC4)CC3)c2n1"]
["182250773","CN(C)Cc1ccc(-c2cnc(N=[N+]=[N-])[nH]2)cc1"]
["26478158","CC1(C)CCC(O)c2ccc(C#Cc3ccc(C(=O)O)cc3)cc21"]
["111776493","Cc1ncc(S(=O)(=O)N2CC[C@H]3CNC[C@H]32)s1"]
["85391501","CC1(C(O)=NC2CCCC2(C)C)CCCN1"]
["85447981","O=C(CN1CCN2CCCCC2C1)c1ccccc1Br"]
["62487588","CCN1C(=O)/C(=C\\c2ccc(O)cc2)SC1=Nc1ccc(OC)cc1"]
["MCULE-2842395552","CCN(CC)CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2ccc(OCc3ccccc3)cc2)C1=O"]
["17516564","COCc1cccc(N=C(O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1"]
["150132870","COc1ccccc1N=C1C=CCC1"]
["MCULE-5830115019","COC(=O)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1"]
["14332022","Cc1cc(=O)c(C(O)=N[C@H]2CC[C@H](O)CC2)nn1-c1cccc(C(F)(F)F)c1"]
["199764647","c1ccc(-c2ccc(N(c3ccc4ccc5c6ccccc6ccc5c4c3)c3ccc4c(n3)sc3ccccc34)cc2)cc1"]
["134067398","Cc1nn(-c2ccccc2)cc1CN=C(O)CSCCC(C)C"]
["108275539","O=C(c1cccnc1)N1CCC2(CC1)CN(c1ncccn1)c1ccccc12"]
["146654353","COc1ccccc1C(C)CC(O)=NC1(C(=O)O)CCC1"]
["107072804","CSc1cccc(N2CC[C@H](CNC3CCCC3)C2)c1"]
["MCULE-2130525682","Cc1ccc(-c2ccc(N=C(O)c3ccc(C)cc3C)cc2F)cc1"]
["118432752","CCOCCCN=C(NCc1nnc(C)n1C)NCC(C)Oc1cccc(F)c1"]
["122623211","Cc1cccc(COc2cccc(N=C(O)Cn3cnnn3)c2)c1"]
["114713946","N=C(O)C[C@@H](N=C(O)/C=C/c1cc(Cl)ccc1Cl)C(=O)O"]
["146924264","CCSc1ccc([N+](=O)[O-])cc1C(O)=NCC(CC(C)C)C(=O)O"]
["163578689","O=C(c1cnn2ccc(N3CCCC3)cc12)N1CCN2CCCC2C1"]
["MCULE-8200106479","CCN(CC)CCN=C(O)c1cc(F)ccc1-c1c(C)cc(C)cc1C"]
["62957551","CCN(CC)C(=O)OC=Cc1ccccc1"]
["3970232","OC(CSc1nnc(-c2cccc(Br)c2)o1)=Nc1cccc(Br)c1"]
["MCULE-5744113876","O=C(O)Cc1c(F)cc(-c2ccc(N=C(O)C3CCC(=O)C3)nc2)cc1F"]
["164889323","CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)C(CC)C(O)=NC(C)CC)S(=O)(=O)c1ccccc1"]
["145453143","Cn1cc(-c2ccc3c(c2)/C(=C2/N=c4ccnc(-c5ccc(F)s5)c4=N2)NN3)cn1"]
["57886869","C=CCN=c1scc(-c2ccccc2Br)n1N/C=C1/C=CC=N1"]
["29679887","Cn1ncn(-c2ccc(N3CCC(C(C(O)=NCc4ccccc4)c4ccccc4)CC3)cc2)c1=O"]
["2817827","CSc1cccc(N2C[C@@H](c3noc(-c4ccccc4F)n3)CC2=O)c1"]
["164690197","COc1c(Nc2cc(=Nc3ccc(C)cn3)[nH]c3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1"]
["112088836","Cc1cc(C#N)ccc1S(=O)(=O)NCC(C)O"]
["MCULE-7512359063","Cc1nn(C)c2c1C(c1ccc(OCc3ccc(Cl)cc3)cc1)C(C(=O)N(C)CCO)=C(N)O2"]
["9864049","COc1ccc(OC)c(CN2CCC[NH+]3C=CC=C3[C@@H]2c2ccc(OC)c(OC)c2OC)c1"]
["MCULE-8285193228","COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(Cl)cc1)C(C(O)=Nc1ccc(C)cc1C)C(C)C"]
["154273413","COc1ccc2c(c1)[C@@H]1[C@@H]3[C@H]4[C@@H]2[C@H]2[C@H]1[C@H]2[C@H]43"]
["84898920","CN(CC(C)(C)O)C(=O)CN1C(=O)C(C)(C)N=C1O"]
["57134038","CCn1ccnc1C(C)(O)CN"]
["28520960","CCCC(C)CC(C)(C)c1ccc(Nc2ccccc2C(C)c2ccccc2)cc1"]
["144478822","CCc1nn(C)cc1CN1CC(C)Oc2c(F)cccc21"]
["51552260","O=C(O)CCc1cc2n(n1)CCN(C(=O)C(O)c1ccc(F)cc1)C2"]
["87608778","CC(C)CCn1c(-c2ccc(F)cc2)ccc(C#N)c1=O"]
["170538093","COc1cccc(C(O)=Nc2cc(N=C(O)c3cccc(OC)c3OC)cc(N=C(O)c3cccc(OC)c3OC)c2)c1OC"]
["198726640","CCC#CCN(CCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]
["MCULE-8223852113","COc1ncc(-c2c(C)nc(NC(=O)c3ncc(C)s3)nc2C)c(OC)n1"]
["MCULE-3728430805","CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccc(OCC)c1"]
["118477981","CCN=C(NCCOc1cccc(N=C(C)O)c1)N1CCC(N2CCOCC2)C1.I"]
["MCULE-9059526423","CCc1ccc(C2C(C(=O)N3CC(C)OC(C)C3)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1"]
["47632884","OC(Cc1ccc(Cl)c(Cl)c1)=NCCN=C(O)c1ccccc1O"]
["104172105","C[C@H](CCc1ccco1)N=C(O)/C=C/c1ccc(N2CCCC2=O)cc1"]
["27885408","CCCNc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(=O)CN(C(=O)O)C(C)(C)C)CC4)no2)cc1C#N"]
["62506065","Cc1ccc(C(C)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1"]
["MCULE-3473303227","Cc1cc(C(=O)N2CCC(N3CCCC3)CC2)c(F)cc1-c1ccc(F)cc1"]
["108408458","CCNS(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccc(N(C)C)cc1"]
["30548155","N=C(O)c1cnc(Nc2cccc(C(=O)N3CCC(O)(c4ccncc4)CC3)c2)cc1NCC1=CNCC=C1C(F)(F)F"]
["8253661","Cc1cc(C)c(OC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1"]
["179339355","COC(=O)c1cnc2c(c1)N(Cc1cc(F)cc(F)c1)C(=N)C2(C)C"]
["74577857","CCN(CC1CCCC1)c1ccc(F)cc1C=O"]
["49271620","Cn1c(=O)c2c(n(C)c1=O)n1c(SCC(=O)c3ccc(Cl)cc3)nnc1n2Cc1ccc(F)cc1"]
["64511170","CN1CCCC(CNS(=O)(=O)c2ccc(C(=O)O)cc2)C1"]
["65280975","CCCN(Cc1cnc(C)s1)C1CCNCC1"]
["197970959","O=C(CN1C(=O)CCC1=O)N1CCCC2(CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)C1"]
["128315287","CC(CN=C(O)NCC(O)=NC(C)(C)C)Cc1cccs1"]
["16136001","CCc1cccc(N=C(O)CCSc2nc3c(=O)n(C)c(=O)n(C)c3n2CCc2ccccc2)c1"]
["186767221","C=CC1=C(C)[C@@H](Cc2[nH]c(Cc3[nH]c(/C(O)=C4\\N=C(O)[C@H](C)[C@H]4[C@H]4CS4)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O"]
["158159636","Cc1sc(Br)cc1S(=O)(=O)NC[C@H]1CCc2nccn2C1"]
["MCULE-7431775679","N#Cc1cccc(F)c1NC(=O)c1ccc(Cl)c(F)c1"]
["111272903","CN1C(=O)CC(NCc2ccc3cc[nH]c3c2)C1=O"]
["2941202","COc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(O)=Nc3cc(C)cc(C)c3)c2=O)cc1"]
["118111218","CN=C(NCCc1cccc(Cl)c1)NCc1cccc(Cn2ccnc2)c1.I"]
["55797675","CC(C)[C@H]([NH+]=C(O)CN1C[C@H](C)C[C@@H](C)C1)c1cccs1"]
["MCULE-8365671143","CCCOc1ccc(C2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCN(Cc3ccccc3)CC2)cc1OCC"]
["176314488","COC(=O)C12CC[C@@H](C)C(C)C1C1=CCC3C4(C)CCC(OC(=O)CCCCC=O)C(C)C4CCC3(C)[C@]1(C)CC2"]
["31518769","CS(=O)(=O)c1cccc(-c2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc2OCC(=O)O)c1"]
["112242232","CC(CNc1cnccc1C#N)c1nccs1"]
["131635342","Cc1nc(COc2ccc(F)cc2)sc1C(=O)N=c1cc[nH][nH]1"]
["MCULE-2807766519","Cc1cc(C(O)=Nc2ccc(-c3cc(F)cc(F)c3)cc2C)no1"]
["186589747","C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)OCC(O)CN)c1O"]
["MCULE-3217401786","CC(O)=Nc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1"]
["176155235","[B+]=C1C=[C-]C(OCc2ccccc2NC)C(C)=C1"]
["44434151","CCOC(=O)c1c(SC)nn2ccccc12"]
["170839745","CC12CCC/C(=C3/C(=O)C(C4=C5Nc6c(cc7c8c(cccc68)-c6ccccc6-7)C5(C)CCC4)=C3O)C1=Nc1c2cc2c3c(cccc13)-c1ccccc1-2"]
["51990618","C=C1NC2=C(C(=O)CC(c3ccccc3OC)C2)C(c2cc(OC)c(O)c([N+](=O)[O-])c2)C1C(=O)OC1CCCC1"]
["170651110","Cc1ccc(-c2nc(N)c3ccncc3n2)cc1C#C[C@]1(O)CCN(C)C1=O"]
["MCULE-3717828881","Cc1ccc(-c2cc(C)c(NC(=O)C3CC(=O)C3)cc2F)cc1"]
["109083210","CSc1ccc(/C=C/C(=O)/C=C(/O)c2ccc([N+](=O)[O-])cc2)cc1"]
["MCULE-1333806599","Cc1cccc(OCCOc2cn(CC(C)O)c(CNc3ccc(Cc4ccccc4)cc3)cc2=O)c1"]
["19998269","C[C@@H](Oc1cccc(Cl)c1)C(O)=Nc1[nH+]c2c(s1)CN(C)CC2"]
["MCULE-5646968833","CCOCCCN=C(O)Nc1cccc(OC(=O)CC(C)C)c1"]
["65649849","N#CC(COCC1CCCCC1)NC1CC1"]
["3826314","CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3Cl)n2N)cc1"]
["8464342","CC(=O)c1cccc([NH+]=C(O)CN(C)Cc2ccc3c(c2)OCO3)c1"]
["MCULE-5977863166","Cc1nnc(C(=O)Nc2cc(C)c(-c3ccc(CN4CCOCC4)cc3)cn2)o1"]
["129931178","Cc1ccc(F)cc1S(=O)(=O)Nc1cncnc1-n1cccn1"]
["189008569","CCCCc1ccc(-c2nc3c4ccc(-c5ccncc5)cc4c4cc(-c5ccncc5)ccc4c3n2-c2ccc(CCCC)cc2)cc1"]
["121958161","CSC(C)(C)CN=C(O)CSCc1cccnc1"]
["62654348","CN1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccoc2)C3)C1"]
["137008047","CC(CC(O)=NCC(O)c1ccc(OC(F)F)cc1)N=C(O)C1CCCC1"]
["MCULE-3711334547","O=C(O)Cc1cc(-c2cccc(N=C(O)C3CCCN(C(=O)OCC4c5ccccc5-c5ccccc54)C3)c2)cc(C(F)(F)F)c1"]
["77322316","COc1ccc(CN2CCC3C(=O)N=C(C(F)(F)F)N=C3C2)c(OC)c1OC"]
["114530347","COc1ccc2c(c1)nc(CCl)n2-c1cccc(Br)c1C"]
["174248793","CC1(C2=CC=CC2)CCC[Si](C)(C)O1"]
["114539276","Cc1nn2cc(-c3ccc(F)c(Cl)c3)nc2s1"]
["194642347","CC(C)OC(=O)c1cc(NC(C)(C)C(O)=Nc2nc3c(C(F)(F)F)cc(N)c(C=N)c3s2)ccc1Cl"]
["63436030","Cc1nc(CSCCC(O)=NCC(O)CO)cs1"]
["118882887","CCN=C(NCCc1nc(C(C)C)no1)NC1CCN(c2cccc(F)c2)CC1.I"]
["MCULE-1054754896","Cc1cc(N=C(O)c2cnc3cc(C)nn3c2)cc(-c2ccc(C(=O)N3CCOCC3)cc2)c1"]
["24551893","Cc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)o1"]
["26018417","C=C(C)C(O)C(=O)OCC"]
["133173998","COc1ccc(C(N=C(O)N(CCS(C)(=O)=O)C2CC2)C2CC2)cc1"]
["84120854","CCCSc1cc(OCCC(C)SCc2ccccc2)ccc1C"]
["2826204","COC(=O)c1c(N=C(O)/C(C#N)=C/c2ccccc2OC(C)C)sc(C)c1C"]
["171667890","Cc1cc(C)c2nc(C)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1.Cl"]
["24548638","Cc1nc2ccccc2c(=O)n1N=C(O)c1c(O)n2c3c(cccc3c1=O)CC2"]
["51668915","CC(C)(N)C(O)=N[C@H](COCc1ccccc1)C(O)=Nc1cn(C(C(=O)N2CCCC2)c2cccc(F)c2)cn1"]
["MCULE-5742789777","CC(C(O)=NC(Cc1ccccc1)C(O)=Nc1ccccc1F)c1ccc(Br)cc1"]
["129637434","Cc1cc(C(C)C)nc(N2CCN(C(O)=NCCOC3CCCC3)CC2)n1"]
["27540140","CC(C)(C)OC(O)=N[C@@H]1C(=O)N(CCOc2ccc(F)cc2)c2ccccc2-c2ccccc21"]
["172207172","CC(C)CCN1CC[C@H](N(C)C(=O)C(C)C)C(C)(C)C1"]
["17832111","O=C(c1cc(Cl)sc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCO2"]
["69877998","CC(=O)OCC1OC(Sc2nnc(COc3ccccc3Cl)n2-c2ccccc2)C(N=C(C)O)C(OC(C)=O)C1OC(C)=O"]
["60944773","Cc1csc(C2(NC3CC3)CCCOCC2)n1"]
["146980985","Cc1ccc(Cl)cc1S(=O)(=O)NC1CCNC(C)C1.Cl"]
["48865600","CS(=O)(=O)NCCNC(=O)c1ccc(NN)cc1"]
["69739552","COc1ccccc1OC(=O)C(C)Oc1ccc(COC2OC3OC4(C)CCC5C(C)CCC(C2C)C35OO4)cc1"]
["98466006","CC1C=CC=CCCCC1"]
["161501045","C=CC(=O)N1CC[C@@H](CC(C)C)C1"]
["116416611","C=CCCCCCN(C)C(=NC)NCCN=C(O)c1ccccc1F"]
["6542306","CCSCC(=O)Nc1ccc(-c2ccccc2)cc1"]
["172098811","[2H][C@](Nc1cc(Cl)c2ncc(C#N)c(NCC(C)(C)C)c2c1)(C1=CN(C2COC2)NN1)c1ccccc1Cl"]
["1717901","CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccccc1OCc1ccccc1"]
["136491950","Cc1cccc(C)c1NCC(=O)N1CCN(CC(F)(F)F)C(C)C1"]
["MCULE-2171127447","O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(N=C(O)C=Cc2ccc([N+](=O)[O-])s2)C1"]
["13691722","C[C@H]1C[C@H]1c1ccc(CN=C(O)N2CCO[C@H](c3cccc(F)c3)C2)o1"]
["176381003","Cc1nc(-c2cnn(C)c2)ccc1S(=O)(=O)Cl"]
["79889525","COCCCN=C(O)C(C#N)=C(C)O"]
["148064210","Cl.O=C(Nc1ccc2c(c1)CNCC2)C1CCCc2sccc21"]
["62396055","CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1"]
["121159785","CC(c1cccnc1)N1CCN(C(=O)C2(O)CCC2)CC1"]
["154368253","Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(O)=N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1"]
["108196041","BrC12C[C@H]3C[C@@H](C1)CC(Cc1nc([C@@H]4CCOC4)no1)(C3)C2"]
["19150382","O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(Br)c2)[C@@H]1C(=O)c1cc2ccccc2o1"]
["81374307","N=C(O)C(CCCN=C(O)c1cccc(O)c1O)N=C(O)c1cccc(O)c1O"]
["73819608","CC(=O)CN(C)c1ncsc1S(=O)(=O)N1Cc2cc3c(cc2CC1C(O)=NC(Cc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)O)OCC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3"]
["33974881","COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(O)CCCCC2"]
["98242528","CCc1cc(CC(=O)OC)cc(-c2csc(-c3cc(C(F)(F)F)nn3-c3cc(Cl)ccc3Cl)c2)c1"]
["116435594","CCN=C(NCCC(OCC)C(C)C)N1CCN(Cc2ccon2)CC1.I"]
["22910606","COc1ccc(C2=NN(C(=O)CSc3nncs3)C(c3ccco3)C2)cc1"]
["172356859","CCCCc1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C=C2"]
["29153290","NCCNCCS(=O)(=O)c1ccc(Br)cc1"]
["5054270","CCOc1cccc(C[NH+]2CCN(c3ccccc3OC)CC2)c1O"]
["123536206","COc1ccc2oc(C(C)N=C(O)NC3CCN(c4ccccn4)C3)c(C)c2c1"]
["31586237","CCOC(=O)c1ccc(OC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)cn1"]
["17478623","CN=C(O)[C@H](CC(C)C)NC(=O)C1=NN(c2ccc(C)cc2)C(=O)CN1"]
["MCULE-5393839173","COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Br)cc2)C1=O"]
["61119535","COC(=O)c1ccc(C)c(N=C(O)CBr)c1"]
["29592011","CN1CCn2[nH]c(=Nc3cc(-c4cc(F)cc(N5CCn6c(cc7c6CCCC7)C5=O)c4CO)cn(C)c3=O)cc2C1"]
["MCULE-2068040567","CSCCC(C(=O)Nc1ccc(Cl)cc1C)N(CCc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1"]
["145202894","CNCc1cn(S(=O)(=O)c2cccnc2)c2cc(Nc3ccc(C)nc3OC)ccc12"]
["18242980","Cc1nn(C)c2c(Sc3nnc([C@@H](C)Oc4ccccc4)n3C)nc(-c3ccccc3)nc12"]
["45850459","CCCNCc1cn(Cc2ccc(CC)cc2)nn1"]
["14621335","CC(O)=NCc1ccc(C(=O)NC(C)C)cc1"]
["30030313","CC1(c2ccc(F)c(N=C(O)c3cc(Br)ccc3Cl)c2)CCSC(=N)N1"]
["31519880","CC(C)(C)N=C(O)c1ccc2c(C3CCN(CCN4C(=O)c5cccc6cccc(c56)C4=O)CC3)c[nH]c2c1"]
["198546290","CC(C)CC(N=C(O)OC(c1ccccc1)C(C)(C)c1cccc(Cl)c1)C(O)=NC(C=O)CC1CCN=C1O"]
["MCULE-4695358956","COc1ncc(-c2ccc(N=C(O)c3cccc(C)n3)nc2)cn1"]
["10395818","O=[N+]([O-])c1ccc(OCCC[C@@H]2CCCO2)c([N+](=O)[O-])c1"]
["MCULE-4845753174","CN(C(=O)C=CCN1CCOCC1)C1CCN(CCc2ccccc2)CC1"]
["167232934","CC1=CC(=O)O/C1=C\\C1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C"]
["181704385","CCC(CC)C(=O)OCC(=O)O"]
["50792352","CN(C)c1ccc(C=C(N=C(O)c2ccccc2)C(=O)NNC=C2C(=O)C=Cc3ccccc32)cc1"]
["59640295","NC(CC1OCCc2ccccc21)c1ccc(F)cc1F"]
["6922105","CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCCO1"]
["170357059","O=C1CCN2C(CC[C@H]2C(=O)O)C1"]
["MCULE-6075631957","CCOC(=O)c1ccc(N=C(O)c2nc(C(=O)NC3CCCC3)c3ccccn23)cc1"]
["185947494","Cc1nnc(C(=O)N(Cl)c2ccc3ncccc3c2)o1"]
["45837467","CCCNC(=NN)c1ccncc1"]
["78730097","O=C(O)/C=C(/I)C(F)(F)F"]
["200151473","CCc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCCC6(CC(O)C6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]
["95584688","CCCNCCOCc1ccc(C#N)cc1Cl"]
["107940846","C[C@@H](C(O)=NCc1ccccc1F)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1"]
["MCULE-5924115520","CC(O)n1nc(C2CCC2)c(C2CCC2)c1Cl"]
["162205153","COC(=O)c1c(C)ncc(Br)c1C(F)F"]
["MCULE-1949495223","OC(=Nc1cc(F)ccc1F)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1"]
["3803587","OC(=NN=C(O)c1csc(N2CCOCC2)n1)C1=COCCC1"]
["67236700","COc1ccc(-n2ccc(CNc3ncc(C(=O)N4CCCCC4)cc3Cl)n2)cc1"]
["33656981","CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\\C)CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)C[C@@]3(C)C5C[C@H](O)C4C2(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O"]
["131175836","Cc1nc2ccc(NC(O)=NCCN3CCOC(C)(C)C3)cc2o1"]
["99783177","Cc1cnn(C)c1[B]OC(C)(C)C(C)(C)O"]
["167740383","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)COP(=O)(O)OCCN=C([O-])CCCCCCCCCCCCCCCCC"]
["143131143","CC(C)C(CNC(O)=NCc1ccc(O)c(F)c1)Nc1ccccc1"]
["179476571","CCOC(=N)NCc1ccc2oc([C@]3(C[C-]4CCC5=CC=C=CC5C4=O)N=C(O)N=C3O)cc2c1.[CH3-].[U+2]"]
["23021033","O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1"]
["MCULE-2787850663","Cc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(Cc3ccncc3)C2=O)c(C)c1"]
["124761117","Cc1ccccc1N=C(O)C1CSCN1C(=O)CCC(=O)c1ccccc1"]
["MCULE-5375411419","Cc1cc(CC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2C#N)on1"]
["171283680","C=CC[C@@H](c1cc(OC)c(O)c(Br)c1Br)N1CCNCC1.Cl.Cl"]
["MCULE-6713805115","COc1ccc(CC(=O)Nc2ccc(-c3ccc(C#N)s3)cc2C)cc1OC"]
["79839491","CCCCOC(O)=N[C@@](C)(CN)C(=O)O"]
["21932538","Cc1nccn1C[C@H](C)CNC(O)=NCCCc1cccc(Br)c1"]
["15933493","CC(=O)Oc1ccc(F)cc1Br"]
["177055672","COCCOc1ccnc2c1OC(=O)C(NC1CCN(CCN)CC1)CCSCC2Cn1c(=N)[nH]c2ccccc21"]
["186052113","N#Cc1cc(F)cc(NCCCCCc2nc(C3CC3)no2)c1"]
["147348419","CN1CCNCC1c1noc(CNC(O)=NCc2ccc(F)cc2)n1.Cl"]
["67064209","Cc1c(C(=O)N2CCC(CCl)CC2)cnn1C"]
["187749367","ONc1ncnc2c1cnn2[C@@H]1C[C@H](C(O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O"]
["15577350","CN(Cc1ccc(F)cc1)C(=O)[C@H](c1ccccc1)N1CCSCC1"]
["31088959","CC1(C)Oc2ccc(C#N)cc2C(n2cc(CO)c(CO)cc2=O)C1O"]
["59784294","COc1cc(C)ccc1S(=O)(=O)N1CCN(C)CC1"]
["151546378","Cc1cc(N2CCc3ccccc3C2)nc(NC(S)=N[C@H](C)c2ccccc2)n1"]
["98541260","Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)C4CCC(C(=O)O)CC4)CC3)nc2)cc1C"]
["70527221","CCC(N=C(O)C(N=C(O)C(CC(=O)C(N=C(O)C(C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)CC(=O)C(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C"]
["47877592","CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN([C@@H](C)C(O)=NC(O)=NC(C)C)CC1"]
["MCULE-8019433771","OC(Cc1nnc(O)c2ccccc12)=NCC1CN(Cc2cccnc2)CCO1"]
["138295175","CCN1CCC(CCN=C(O)C(C)N2C(=O)c3ccc(C)cc3C2=O)CC1"]
["157734946","OC(=N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1OC[C@H]2COCC[C@@H]21"]
["188436799","CC(CN1C[C@@H]2CCC[C@]2(C)C1)c1ccc(N)cn1"]
["113503391","CC(C)S(=O)(=O)N(CCO)CC1CCCN1"]
["MCULE-3784805341","Brc1c(I)c(C2CCCC2)nn1C1CCCCC1"]
["MCULE-5154141337","COC(=O)c1ccccc1N1CC(C(=O)N2CCC(c3ncncn3)CC2)CC1=O"]
["155495056","O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cccc(OCCF)c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3"]
["122126902","CC1(CCN=C(O)Nc2cccc(CS(=O)c3ccccc3)c2)OCCO1"]
["42923259","CCCOC(=O)c1cccc(N2C(=O)C(Cl)=C(Nc3ccc(C(O)=Nc4ccc(Nc5ccccc5)cc4)cc3)C2=O)c1"]
["MCULE-8520530682","CCCOc1ccc(-c2ccc3oc(=O)c(C(=O)N(C)C4CCN(Cc5ccccc5)C4)cc3c2)cc1"]
["131919012","COc1cc(C=CC(=O)N(C2CC2)C(C)C2CC2)ccc1OCC#N"]
["158124948","Cc1[nH]c(=NCCC#N)sc1C"]
["14994798","O[C@@H](C[NH2+]Cc1cccc2c1OCCO2)COc1cccc(C(F)(F)F)c1"]
["43911245","C=CC[C@@](CCCCB1OC(C)(C)C(C)(C)O1)(N=C(C)O)C(C)=O"]
["17261983","Clc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@H]2CCCO2)cc1Cl"]
["MCULE-1838680583","C=CCN(CC=C)Cc1cc(=O)c(OCC(O)=Nc2ccccc2)cn1Cc1ccccn1"]
["45082818","O=[N+]([O-])c1ccc(F)cc1C(O)=NCC1(O)CCCC1"]
["15856557","CC[C@H](CO)NC(O)=N[C@H](C)c1ccc(N=C(O)c2ccc(F)cc2)cc1"]
["92592814","CC1CCc2[nH]c3ccc(C(O)=NCCS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3c2C1"]
["96500356","CC1(C)CCC2(C(=O)O)CC[C@]3(CO)C(=CCC4[C@@]5(C)CC(O)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)C5CC[C@]43C)C2C1"]
["MCULE-2016378254","Cc1nc(N=C(O)c2cn(C)c3ccccc23)nc(C)c1-c1cnc(C#N)nc1"]
["198875182","CCC(C)N(C(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O)C(C)CC"]
["121965159","CC(CO)CSCC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl"]
["184187401","CC(CS)NC(N)=[NH2+]"]
["MCULE-2988585382","COc1ccc(C)cc1N=C(O)C1CSCN1C(=O)C(F)(F)F"]
["45172846","N#Cc1coc2ccc(C(O)=NC3CN4CC[C@H]3C4)cc12"]
["132880631","COC(=O)c1ccc(C(=O)OCc2ccc(F)cc2)o1"]
["85613643","[N-]=[N+]=NCc1cccc(O)c1"]
["13457608","Cc1ccccc1N(CC(=O)Oc1cccc(C#N)c1)S(C)(=O)=O"]
["MCULE-5357905543","COc1ccc(OC)c(N=C(O)COc2cn(CCN(C)C)c(CNc3ccc(C)cc3C)cc2=O)c1"]
["141226173","OC(=Nc1ccc(O)cc1F)c1ncoc1-c1ccccc1Cl"]
["174746726","CC(Cl)CCl.CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.CN(C)Cc1ccccc1"]
["54655789","C#CC(O)Cc1ccc(-c2ccc3nc(C)ccc3c2)cc1"]
["1211230","O=C(Cc1ccc(Cl)cc1)n1cc(Cl)cn1"]
["MCULE-3466863351","Cc1cncc(C(=O)N2CCCC(CNC(=O)c3cc4n(n3)CCC4)C2)c1"]
["172802438","C/C(=C\\C1CC1)C(=O)N1CCC[C@@H](N=C(O)c2c3c4c(ccnc4[s+]2-c2ccc(Oc4ccccc4)cc2C)N=C(O)N3)C1"]
["12031132","CCN(C(O)=[NH+]CCCN1CCCC[C@@H]1C)[C@H](C)C(C)C"]
["24248609","O=C1c2ccccc2NC(C2=Cc3ccccc3OC2)N1Cc1ccc2c(c1)OCO2"]
["79307816","Brc1cc(C(c2ccccc2)(C(Br)(Br)Br)C(Br)(Br)Br)c(Br)c(Br)c1Br"]
["167058579","COc1ccc(-c2noc(=O)n2CCCN)cc1Br"]
["44654513","COc1cccc2c1OC(C)C(/C=C1\\C(=O)N(c3ccccc3)N=C1c1ccccc1)=C2"]
["133395412","CC(C)C(CC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1"]
["64439033","CCC(O)=Nc1cc(N=C(O)CN=C(O)C2CCN(CC(O)=Nc3cccc(C(O)=Nc4cc(F)ccc4C)c3C)CC2)ccc1F"]
["194094270","CC(C[C@@H](c1cccc(Cl)c1)[C@H](O)c1ccc(Cl)cc1)C(=O)O.CC(C[C@H](c1cccc(Cl)c1)[C@@H](O)c1ccc(Cl)cc1)C(=O)O"]
["MCULE-9139641326","N#CCOc1cccnc1N=C(O)N1CCN(Cc2ccccc2)CC1"]
["96846689","CSCCC(=O)OCc1ccccc1"]
["69692832","Cc1ccc(C=CSc2ccccc2)s1"]
["130561586","CCCCC(COC)N=C(O)N(C)CC1CCCC1"]
["129929975","CC1(COC(=O)CCCCNC(=N)O)CCCC1"]
["52697300","Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2c(Cl)cc(Cl)cc2Cl)cc1"]
["80120187","CCC(OC)C(C)C1OC1C(NC1CCCCC1)C(C)(O)C=CC=C(C)C1OC(=O)CC(O)CCC(C)(O)C(OC(C)=O)C=CC1C.O=CO"]
["143642495","CC1(C)CC(N=C(O)N2CCN(c3nccs3)CC2)CCO1"]
["81187958","CC(C)C(N=C1NS(=O)(=O)c2ccccc21)C(O)=Nc1nc(-c2ccc3c(c2)OCCO3)cs1"]
["144858828","CC(CN)c1ccc(OCC2CC2)cc1"]
["11211442","[O-][n+]1ccccc1C(O)=[NH+]C1CCN(CC2CCCC2)CC1"]
["174619172","CC(=O)c1cn(CCN2CCOCC2)c2cc(Cl)ccc12"]
["111499681","CC1CCC(CC(CN)C2CCS(=O)(=O)C2)O1"]
["179441717","COC1=CC2C(=O)N([CH-]C(=O)N(C)c3cc[c-]c(OC(F)=[F+])c3)[N-]C(c3cccc(N)c3)=C2C=C1.[U+2]"]
["104997059","COCCCNc1ncnc(N[C@@H](C)c2ccccc2)c1N"]
["168430128","C=CN=c1[nH][nH]cc1C(=N)N1CCC(N)(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC1"]
["MCULE-6464915411","Cc1cc(N=C(O)c2sc(C)nc2C)cc(-c2ccccc2C(=N)O)c1"]
["189157027","C=CCn1c(=O)c2cnc(Nc3cc(C#N)c4c(c3)CN(C)CC4)nc2n1-c1cccc(N=S(C)(C)=O)n1"]
["154816543","c1ccc(-c2coc(C3CCCN(Cc4ccncn4)C3)n2)cc1"]
["191478141","C=CCOC(=O)N1c2cc(OCc3cccc(CC(O)=Nc4cn(C)c(C(=O)O)n4)c3)c(C)cc2C(=O)N2CCCC[C@H]2C1OC1CCCCO1"]
["154324126","CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccccc2C)nc2ccc(OC)cc12"]
["MCULE-8673844476","COc1cc(CC(=O)N2CCN(Cc3ccccc3F)CC2)c(-c2cc(F)ccc2C)cc1OC"]
["132922219","CC(C)(C)OC(O)=NC1CCN(C(=O)c2c(Cl)nc3ccccn23)C1"]
["105699676","CC1CCC(CO)(NC[C@H](O)c2ccccc2)CC1"]
["55849002","C[NH2+]CCN(C)C"]
["106482475","C[C@@H]1Oc2ccccc2N(CC(O)=NOCC(=O)O)C1=O"]
["17267593","O=C1CCCCN1[C@@H](C(O)=Nc1ccc2c(c1)N=C(O)CO2)c1ccccc1"]
["MCULE-1570030203","CN(C(=O)Cc1cc(-c2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)c1)C1CC1"]
["135826141","CCCOC1CCCN(CC(O)=NCC2(N3CCOCC3)CCCCC2)CC1"]
["112002049","CCC(O)CN1CCC(C)(O)C1"]
["133927645","COC(=O)c1cc(F)c(C)c(OCC(O)=NC(C)c2ccccc2)c1"]
["162064329","CC12C=CC(CC1)C(=O)C(Cl)C2=O"]
["31422899","C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(c4ccc(Cl)cc4)CC3)cc2)CCN1C(=O)O"]
["105780411","Cc1ccccc1C[C@@H](C)N=C(O)[C@H](N=C(O)c1ccccc1Cl)C(C)C"]
["65759476","C=CC1=C(C)/C(=C\\c2[nH]c(CC3=C(CCC(=O)O)C4(C)CC=C5C(=NC(=O)C5C)C=C4N3)c(CCC(=O)O)c2C)N=C1O"]
["54963967","[NH+]#Cc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1"]
["106728168","Cc1cc(C)nc([C@H]2CCN(C(=O)C3(c4ccccc4)CC3)C2)n1"]
["15691418","CC[C@H](C)N=C(O)CCCSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1"]
["28731301","CC(C)n1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCCc1ccccc1"]
["MCULE-9507706795","COc1ncc(-c2cc(F)c(N=C(O)c3ccsc3)cc2C)c(OC)n1"]
["140833792","CC1CCCCC1N=C(O)C1CN(Cc2nc(O)c3ccccc3n2)CCO1"]
["193604615","COc1cccc2c1OC(CNCCC1CCCC1)CO2.Cl"]
["52698599","CNC(=O)c1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1"]
["590686","CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2"]
["136340136","OC(=NCc1ccn2ccnc2c1)NC1CCCOCC1"]
["151643750","COc1ccccc1[C@H]1CCC[C@@H](C)N1C(=O)c1ccncn1"]
["73601571","CS(=O)(=O)O.N=C(N)c1ccc(N=C(O)c2cc3ccoc3cc2-c2ccccc2C(=O)O)cc1"]
["74727587","CCCO/N=C(\\COc1ccc(N(C)C)c(C(=O)O)c1)c1cc(-c2ccc(F)cc2)no1"]
["174755138","CC(O)O.O=C(OC(=O)c1ccccc1)c1ccccc1"]
["MCULE-8231831012","COc1ccccc1C(=O)Nc1cc(C(O)=NCc2ccc(C(=O)OC(C)C)cc2)nn1C"]
["170517934","[2H]c1c(-c2ccccc2)c([2H])c2c(sc3c([2H])c([2H])c([2H])c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c32)c1[2H]"]
["52108439","CC1CCN(C(=O)c2ccccc2N=C(O)CN=C(O)C2CCN(CC(O)=Nc3cc(C(=O)N4CCOCC4)ccc3Cl)CC2)CC1"]
["MCULE-6478253092","CCCCN(C)C(=O)COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1"]
["93812952","CCCNC1CCN(CC(O)=NCC(F)(F)F)CC1C"]
["58574891","C=C1C(=O)OC2/C=C(\\C)C/C=C/C(C)(O)CCC3OC3(C)C(=O)CC12"]
["128214628","CC1CN(Cc2ccccc2CNS(=O)(=O)CC2CCCC2)CC(C)O1"]
["104082027","CCN(CCO)[C@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1"]
["170748536","C=N/N=C(/CC1(c2cccc(N3Cc4c(cc(CNCC5(O)CC5)cc4C(F)(F)F)C3=O)c2)COC1)N(C)C"]
["98138190","OC1=NC2CC(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)=CC=C2CC1"]
["128734961","CCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCN(C)C(=O)C1"]
["30969307","C[C@]12CC[C@@H]3C4=CCC(O)(S(N)(=O)=O)C=C4CC[C@H]3[C@@H]1CC(C#N)C2=O"]
["186169962","CN=C(O)COc1cccc(OCC2CN2CC2CC2)c1"]
["164195798","CCC(C(=N)O)N1CCCN(Cc2ccccc2)CCOCC1"]
["176129303","CN/C(=C(/N)C(O)=Nc1ccccc1)C(C)N(C)C(=O)C(F)(F)F"]
["86409499","CSc1nc(NN)cc(NC(C)c2ccc(C)o2)n1"]
["159579323","O=C(c1ccncc1)N1CCCC(N=C(O)CC2CCCCC2)C1"]
["31585893","N#C[C@]1(N)CC2(O[C@@H](c3ccccc3)[C@H](c3ccccc3)O2)[C@@H]2[C@H]1[C@@]2(F)C(=N)O"]
["120568083","CCN1CCCC1c1cc(C=O)no1"]
["64790189","C=CC(O)=NC=CC(=O)O.C=Cc1ccccc1"]
["170919655","CCOC(=O)C=C(O)c1ccc(C(C)(C)C)cc1"]
["67433080","Cc1cc(C)c(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(C)c1"]
["76812949","C[Si](C)(C)OC(COC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(C=NC(C#N)=C(N)C#N)OC(=O)c1ccccc1"]
["110156792","CN1CCCN(C(=O)c2ccccc2N=C(O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1"]
["135732557","Cn1c(C(C)(C)NCC(O)=NCC2CCC2)nc2ccccc21"]
["27232367","Nc1c(-c2ccc(NC(O)=Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12"]
["148744586","N#Cc1cc(/C=C2\\OC(=O)c3ccccc32)ccc1C(F)(F)F"]
["106826320","CC[C@]12Cc3c(O)c4c(c(O)c3C[C@H]1OC(C)(C)O2)C(=O)c1ccccc1C4=O"]
["174507608","O[B]c1ccc(Cl)cc1.c1ccncc1"]
["3162503","Cc1nccn1C(=O)CN1C(=O)c2ccccc2C1=O"]
["62134591","COc1cc(/C=C/C(=O)OCC(O)=NCc2ccccc2F)ccc1OC(C)C"]
["MCULE-8649389877","CCCc1nn(-c2cccc(Cl)c2)c2c1C(c1ccccc1OC)C(C(O)=NCc1ccccc1)=C(N)O2"]
["85547279","Cc1cc(C(Br)c2cc(C(F)(F)F)ccc2F)ccc1F"]
["70238873","COC1C(C(O)=NCc2ccc(F)cc2)CCC2NNC(C=Cc3ccc(F)cc3)C21"]
["112686330","COCCC1(CNc2nsnc2Cl)CC1"]
["128306111","CCC(C)c1cc(C(=O)N2CCN(CC3CC3)c3ccccc32)on1"]
["197485638","Cc1cc(Br)n2nc(C(F)F)nc2c1"]
["61742178","CCNC(c1cccc(C)n1)c1cccc(C)c1C"]
["122136533","CCS(=O)(=O)c1ccc(CN=C(O)NCC(CCO)c2ccccc2)cc1"]
["140448740","O=C(CSCC(O)=NCCCN1CCOCC1)c1ccc(Cl)cc1"]
["124349188","CCSCCC(C)N=C(O)NC(C)CN1CCCC1=O"]
["161131646","CN(C(=O)C1CSCN1C(=O)C1COCCO1)C1CC1"]
["157077565","CC(C)[C@H](C(=O)N1CCC[C@H]2CN(C)CC[C@H]21)N1CCCS1(=O)=O"]
["15663798","C/N=C1\\S/C(=C/C(=O)OC)C(=O)N1C"]
["46494559","CC(C(C)(C)C)C(C)([O+]=[Si-])c1cccc(C(=O)c2c[n-]n(-c3ccc(F)cc3)c2=[NH2+])c1"]
["MCULE-8219742577","CCOCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccccc2Br)C1=O"]
["MCULE-1742325373","O=C(C(Cc1ccc(O)cc1)N=C(O)c1ccccc1Br)N1CCC(Cc2ccc([N+](=O)[O-])cc2)CC1"]
["50436495","CCCNC(=O)c1ccc(NC(=O)CN2CCC(C(O)=NCCC(=O)Nc3ccc(C(=O)Nc4cc(F)ccc4F)cc3)CC2)c(C)c1"]
["156701759","C[C@H]1Oc2c(cccc2C(O)=N[C@@H]2CCOC(C)(C)C2)N=C1O"]
["121401662","Cc1c(C(=O)N(C)CC2CCN(CC(O)c3ccccc3)CC2)cnn1C(C)C"]
["MCULE-7942008894","COc1ccc(CCC(=O)Nc2ccc(-c3c(F)cc(F)cc3F)cc2)cc1OC"]
["63104803","CCCCCCCC1CCCC(=O)S1"]
["176524089","Cc1ncnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1OCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C"]
["162665191","O=Cc1ccc2c(CO)csc2c1Br"]
["9071950","O=C(NNCc1ccccc1)C(=O)Nc1c(F)cc(F)cc1Br"]
["99445614","O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)Cl"]
["191291661","CC(F)(c1ccc2c(c1)CC[C@@H]1[C@H](N)CC[C@]21S(=O)(=O)c1ccc(F)cc1)C(F)(F)F.O=CC(F)(F)F"]
["96307854","Cc1c(S(=O)(=O)NCCNS(C)(=O)=O)c(=N)[nH]n1C"]
["24718373","C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C2c2ccc(Cl)cc2)c(C)c1"]
["134285996","Cc1cc(Cl)cc(C=O)c1OCc1cnc(Cl)s1"]
["70003232","CCC(C)(C)CC1NC(C(O)=NCCC2COC(C)(C)O2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F"]
["92145588","CCN=C(O)COc1c(Cl)cccc1CNCCOC"]
["146253626","Cl.NC1C2CCC(C2)C1C(O)=NCC1CCCc2ccccc21"]
["MCULE-9195377336","COc1c(F)cc(F)cc1-c1cc(N=C(O)C(c2ccccc2)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F"]
["54685839","CNC(=N)N(CCSCc1ncco1)P(=O)(O)O"]
["171864727","COc1nc(C)c2nnc3ccccc3n12"]
["51540784","Cc1cccc(/C=C/C(=O)OCC(=O)/C(C#N)=C2\\Nc3ccccc3N2C)c1"]
["21670437","CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCCn2cc[nH+]c2)s1"]
["141224061","CC(C)OCCCCN=C(O)CCc1nc(-c2ccc(Cl)cc2)no1"]
["88488724","CCOC1CCN(C(C)c2ccc(O)cc2)CC1"]
["64217182","CC1CCCC(NCc2c(C(=O)O)n(C)c3ccccc23)C1C"]
["99402121","COC(=O)C(CN=C(O)CNC1CC1)NC(=O)c1ccc(C#C/C=C/c2ccc(CN3CCOCC3)cc2)cc1"]
["167179905","O=C(O)CC1(c2ccccc2C(F)(F)F)CCOCC1"]
["MCULE-8612755603","CC(C)(C)c1ccc(-c2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(N3CC(c4ccccc4)Cc4ccccc43)n2)cc1"]
["55871681","N=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O"]
["MCULE-9942379535","C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1nc(Br)cs1"]
["150122098","CC(O)COC(C)COC(=O)OCO"]
["88798315","NCc1csc(-c2cccc(C(=O)O)c2)n1"]
["163353530","N[C@H](c1cc(Br)ccc1O)C1CCOCC1"]
["48186325","Cc1cccc(O)c1.ClC(Cl)Cl"]
["MCULE-9668920347","CN(CCC1(c2ccccc2)CCCC1)C(=O)c1ccc(N2N=C(C(C)(C)C)CC2=O)cc1"]
["159825904","CCc1cccc(C)c1N=C(O)OCCCc1ccccc1OC"]
["14516878","CN(CC(O)=NC(C)(C)C)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1"]
["176459305","C=C(C1CN(C(=C)C(F)(F)F)C1)N(Cc1ccc(C2=NN=C(C(F)F)C2)cc1F)c1ccccc1.CC"]
["199652099","CCOC(=O)Cc1csc(NN=Cc2cc(OC)c(OCC(O)=Nc3ccccc3C)cc2Br)n1"]
["55900445","O=C(Nc1ccc(Br)cc1Cl)c1ccc(N=C(O)c2cccs2)cc1"]
["166361025","CS(=O)(=O)N1CCCC(N=C(O)c2[nH]c3ccc(Cl)cc3c2Cl)C1"]
["107113820","CC(C)N=C(O)C[C@@H](C#N)c1ccco1"]
["33969082","CN=C(O)CC1S/C(=N\\N=C\\c2ccc(C(F)(F)F)cc2)N(C)C1=O"]
["MCULE-4667665590","CCOP(=O)(OCC)c1c(C2CCCCC2)nn(C(C)c2ccc(C(F)(F)F)c(F)c2)c1O"]
["165253570","CCS(=O)(=O)Cc1cc(Br)c(C(=O)c2ccc(C)cc2)cc1OC"]
["70140248","CC(O)=NC(CC(C)C)C(=O)C(C)C"]
["15396401","O=[N+]([O-])c1ccc(C(O)=Nc2ccccc2[N+](=O)[O-])c(Cl)c1"]
["140889333","CC(C)(C)Oc1ccc(C(=O)NCc2cccc(C#N)c2)cc1"]
["152382261","COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1"]
["171510481","CN(C(=N)S)C(=N)C(O)C1(c2cccc(Br)c2)CCC1"]
["127091630","O=C(C(O)=Nc1ccc(CC(F)(F)F)cc1)N1Cc2ccccc2C1"]
["MCULE-6751192299","O=c1cc(-c2ccccc2)c2cc(Cl)c(OCC(O)=NCC3CC3)cc2o1"]
["MCULE-7572789331","O=C(O)C#Cc1ccc(Cl)c(C(F)(F)F)n1"]
["100569770","COc1cccc2c1CCC(C)N2.Cl"]
["98380225","C[C@H]1CN(C=CC(=O)c2ccc(Cl)cc2N)[C@](C)(Cc2ccc(F)cc2)CN1"]
["42428750","N=C(O)c1cccc(CSc2nncn2-c2ccccc2)c1"]
["174911020","C/C=C(\\C=C(/CP)C(F)(F)F)CN(C(=O)C1=CCN1C)C1CCCN(CC(C)(C)C)CC1"]
["181182738","[N-]=[N+]=NC(=O)N1CCC(N2CCC(c3ccccc3)C2)CC1"]
["106294643","CCc1ccc([C@@H](CC)N2C[C@@H](C)N[C@H](C)C2)cc1"]
["58301690","CC(C)(C)c1ccc2oc(-c3cc(N)cc(COc4ccccc4Cl)c3)nc2c1"]
["170868571","NCCc1cc([N+](=O)[O-])ccc1SC1CCCCC1"]
["126464891","CC1(C)CCCN(C(=O)c2cc(N3CCN=C3O)ccc2Cl)C1"]
["62945362","[C-]#[N+]c1ccc2c(c1)C(SC)CC(C(C)(C)CO)N2"]
["171998581","CC(C)(C)OC(=O)[N+]1=C(C(=O)O)c2ccccc2C1"]
["177122228","[CH2-]COP1(=O)OC(C)C(C)([NH3+])O1"]
["5590760","COCCCN=C(S)N/N=C/C=C/c1ccccc1"]
["135885174","Cc1cc(S(=O)(=O)NCCCN(C)CC(F)(F)F)sc1C(=O)O"]
["69850727","OCC(O)C(OCc1ccccc1)C(O)COCc1ccccc1"]
["120226253","CCC(C)N(CC)c1c(F)cccc1[C@@H](C)N"]
["76522663","COc1ccc(OC)c(C2C(=C(O)c3ccc(OCc4ccccc4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1"]
["101281687","C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1C[C@@H]1N=C(O)[C@@H](C(C)C)N=C1O"]
["63695762","[Cl-].[Ru+4]"]
["91447176","Clc1ccccc1C(c1ccccc1)C1CCN(C(c2ccccc2)c2ccccc2Cl)CC1"]
["MCULE-7050789037","CCN(CC)C(=O)c1cc(-c2cc(C)ccc2C)n(-c2cccc(Cl)c2)n1"]
["51502976","Cc1cc(NC(=O)c2cccc3cc[nH]c23)ccc1F"]
["44236745","O=C(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO"]
["5183029","CN(CC(O)=Nc1cc(F)cc(F)c1)C(=O)Cn1ccc([N+](=O)[O-])n1"]
["198478850","CC(C)c1cncc2c(Cl)cnn12"]
["175923061","Cc1cc(-c2cc3c(=O)n(C)ccc3o2)cc(C)c1OCCO"]
["175534727","CC1(c2ccc(Br)cc2)OC(=O)OC1=CNNc1c(F)cccc1C1CC1"]
["74503813","CCc1cc2c(cc1C(F)(F)F)N(C(=O)OC1CCCCC1)CCC[C@@H]2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1"]
["184544926","CCC12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(CN=C(O)Oc4ccc(F)c(F)c4)C1OC(C)=O)C32"]
["169564154","CC/C=C\\C=C/C=C\\C=C/C=C/C=C\\CCCCCC(=O)OCC(COC(=O)CCCCC/C=C\\C=C/CCCCCCCCC)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCCCCCCC"]
["155902883","CCOC(=O)[C@]1(CC(=O)c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21"]
["MCULE-8317324210","CN(C(=O)Cc1cccnc1)c1ncc(-c2ccc(F)nc2F)cn1"]
["23874779","CC(C)Oc1ccc(-c2csc3ncn(C(C)C(=O)OCc4ccccc4Cl)c(=O)c23)cc1"]
["45238779","CCCOc1ccc(C(=O)CCC(O)=NN=C(O)CN2CCCc3ccccc32)cc1"]
["182771226","CO[C@H]1O[C@@H]([C@@H](C)OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc(C)cc1"]
["58242697","CNC1CCCN(CC(O)=Nc2ccccc2SC)C1"]
["64661233","N=C(NO)C1(NC(O)=Nc2cccc(Cl)c2)CCCC1"]
["MCULE-1912827004","Cc1cc(=O)c(-c2cccc(-c3ccccc3)c2)c[nH]1"]
["171893616","CC(C)(c1cccc(N=C=N[C-](N)C(C)(C)C)n1)c1cccc(N=C=N[C-](N)C(C)(C)C)n1.[Pt+2]"]
["185098019","COc1c(C(C)C)cccc1C(C)(C)CC(=O)C(=O)[O-]"]
["188424955","CCCCC/C=C\\C=C/[C@H](O)C/C=C\\C/C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O"]
["46928053","CCOc1ccc(C2C(=C(O)c3cccc(OCC)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1"]
["109373245","CCCCC[C@H](C)Nc1nc(C)ccc1C(=O)O"]
["132376376","COc1ccc([N+](=O)[O-])cc1CN=C(O)N(C)CC1CCCC1O"]
["MCULE-2360942412","CC(=O)CCN(C(C)C)S(=O)(=O)c1cccs1"]
["190725885","OC1=Nc2cc(NCCCCN3CCC(c4cccc(Cl)c4Cl)CC3)ccc2C1"]
["MCULE-1480670453","COC1(C)CN(C(=O)c2c(F)ccc(-c3ccc(C(C)=O)c(F)c3)c2F)C1"]
["186059044","C1CCC1.CNOC"]
["185289109","CCN(CC)CCCC1CN(C(=O)O)C1"]
["MCULE-7932796428","CCOc1ccc(-c2ccc(F)cc2NC(=O)c2ccc3c(c2)OCO3)c(C)c1"]
["132016856","Cn1nccc1C=CC(O)=NC1CCN(c2ccccc2OC(F)F)C1"]
["83845360","Cc1ccc(N2C(=O)C(=Cc3ccc(C#N)cc3)N=C2S)c(C)c1"]
["176003178","[2H]c1cc(N2CCN(CC3CCC4(CC3)CN(c3cccc5c3C(=O)N(C3CCC(O)=NC3=O)C5=O)C4)CC2)ncc1Cl"]
["83057492","CC(=O)O.OC1CCCCCC1F"]
["115786243","COc1ccccc1CN=C(O)Nc1cccc(C)n1"]
["125464988","CC1(C)CN(C(=O)CCCCCc2cccs2)CCS1(=O)=O"]
["MCULE-6803636550","O=C(Nc1cc(F)c(F)cc1-c1ccc(C(=O)N2CCOCC2)cc1)c1ccoc1"]
["6924402","CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(O)=NC1CC1"]
["70031718","OC(=NC(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1)C(F)(F)C(F)(F)F"]
["142752054","CC(CCN1CCN(C)CC1)N=C(O)N(C)CCc1ccc(F)cc1"]
["74959704","CN1C(=O)CCN(CC2CCC2)c2nc(Cl)ncc21"]
["MCULE-2177500106","COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)cc(OC)c1-c1cnn(C(F)F)c1"]
["97354217","Cc1cc(-c2cc(O)cc(O)c2)cc(C)c1O"]
["MCULE-4258237696","COc1ccnc(N=C(O)Cc2ccc(OC)c(-c3cc(F)c(F)cc3F)c2)c1"]
["7100278","CN([C@@H](c1ccc(F)cc1)c1ncccn1)S(=O)(=O)C[C@@H]1CCCCO1"]
["112657125","CCC1CC1NS(=O)(=O)c1ccc(C#CCN)cc1"]
["46925147","CCCNC(CS(=O)C(C)C)c1ccccc1OCC"]
["32645745","CCOC(=O)C(O)/C(=C\\C=C\\c1ccccc1[N+](=O)[O-])[N+](=O)[O-]"]
["23693851","Cc1ccc(NCC2CCCN2)c(Br)c1"]
["32989402","COc1ccc(C(SC[C@H](N)C(O)=NCCC#CC2=CN3C(=N[N+](=C(C)C)[B-]3(OC)OC)C=C2)(c2ccccc2)c2ccccc2)cc1"]
["112459863","CC1(C)CCCNC1CN1CC(c2ccccc2)C1"]
["44550592","CC(C)SCC1=N/C(=C2/SC=CC2=O)ON1"]
["77857070","CCOc1c(C(C)=CC(=O)Nc2ccc(F)cc2)cc2c(-c3ccc(F)cc3)coc2c1C"]
["143618548","NCC(F)(F)CN=C(O)CCc1nc(-c2cccs2)no1"]
["MCULE-1644965841","CC(C)Oc1ccccc1-c1ccnc(C(=O)N=c2cncc[nH]2)c1"]
["84877289","Cc1c(COc2ccccc2)ccc(C(=O)O)c1N"]
["113034561","CC(C)(CCCO)CN=c1ccc(N)c(OC(C)(C)C)[nH]1"]
["10656959","CCOc1ccccc1NC(O)=Nc1cccc(-c2ccc(N3CCCC3)nn2)c1"]
["76342687","COc1ccc(CN2CC(=O)N(c3ccccc3)C3CS(=O)(=O)CC32)cc1OC"]
["175692350","C[C@@H]1CC=CCC[C@](OCc2ccccc2)(C(F)(F)F)c2nnc(o2)-c2nc(c(C(F)(F)F)cc2Br)O1"]
["149616598","O=C(C1=CCCC=C1)C1=CC(C=CCC2C=CCC(CCC3C=CC=CC3)C2)=CCC1"]
["107667233","CSc1ncc([C@H](O)[C@H](C)N)c(C)n1"]
["152930795","CN1CCO[C@H](CN=C(O)Nc2cc(Cl)c3c(c2)N=C(O)CO3)C1"]
["101734283","C=CC(CC(CC#CC)c1ccccc1)N(C)C"]
["182528651","[N-]=[N+]=NN1NC(c2ccccc2)=CO1"]
["174299095","CCN1CCN(C(=O)OCC2CCC3C(O2)c2cc(C(F)F)ccc2N[C@H]3c2ccccc2)CC1"]
["87478299","CCCCCC(O)=NC(C)(CBr)CBr"]
["MCULE-1373367539","O=C(NC(CSCc1ccccc1)C(O)=Nc1ccc(Cl)cc1Cl)c1n[nH]c2c1CCCC2"]
["MCULE-4552241641","CCOc1cc(C=Nn2c(SCCO)nnc2C(C)c2ccccc2)ccc1OCC(=O)N(CC)CC"]
["99139644","O=C1OC(O)CC(O)C1=O"]
["107349983","Cc1ccc(C)c(CC(O)=NC[C@H](c2cccc(F)c2)N2CCOCC2)c1"]
["167030302","Cc1onc(-c2ccccc2Cl)c1C(O)=NCc1ccccc1-c1ccc(Cn2ccnc2)cc1"]
["103332676","C[C@@H]1C[C@H](NCCCN(C)C)CC(C)(C)C1"]
["131303533","Cn1cc(Cl)cc1C(=O)N1CCC(C(O)=Nc2cc(Cl)ccc2O)CC1"]
["183013590","C=CC1CC1(CNS(=O)(=O)C1CC1)N=[N+]=[N-]"]
["187326698","CC(C)(C)OC(O)=Nc1cnc(C2=NCC(C)(C)O2)c(Cl)c1"]
["116393556","CCN=C(NCc1ccn(-c2ccc(OC)cc2)n1)Nc1cccc(OCCCOC)c1"]
["44017715","CNC(C)C(O)=Nc1ccccc1OCC(C)C"]
["174560015","C=N/C(Nc1ccc(C)cc1)=C(/CC)C(C)=NCc1cc(C(C)O)cs1.CC"]
["93118935","CC(C)n1cncc1C(O)C1(C#N)CCS(=O)(=O)C1"]
["6611972","O=C(OCc1nc2ccccc2s1)c1cc(=O)c2ccccc2o1"]
["70682613","Cc1nnc(-c2cccc(N=C(O)C3CCCCN3Cc3ncccn3)c2)s1"]
["MCULE-4023183539","C=CCN(C(CC)C(O)=Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C"]
["62950167","COc1ccc(CC(=O)N=C2SC3CS(=O)(=O)CC3N2c2ccc(Br)cc2)cc1OC"]
["MCULE-3861737697","O=C1CCCN1CCCN=C(O)CCCc1ccncc1"]
["43848763","CC(C)(C)Oc1nc(-n2cc(C(F)(F)F)cn2)ccc1N"]
["93154086","c1ccc(CC2CNCCC23CCN2CCC3C2)cc1"]
["MCULE-8391687122","CCCCCCCCCCN=C(O)c1c[nH]c2ccc(CCCC)cc2c1=O"]
["20531053","CC(C)n1c(S)nnc1CN=C([O-])Cc1csc(-c2ccsc2)n1"]
["MCULE-4994107492","COc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(Cl)c1O"]
["109296419","CCCCCCCCCCCCCC/C=C/C(F)(F)F"]
["MCULE-1315017934","COc1cccc(-c2ccc(C)c([N+](=O)[O-])c2)c1C(=O)N1CCN(C2CCCCC2)CC1"]
["97204020","CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)C(=O)C=C1"]
["170163042","CCCCCCCCN(C1CCN(C(=O)OC(C)(C)C)C1)C(F)(C(F)(F)F)C(F)(F)F"]
["146189464","CCNCC1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1.Cl.Cl"]
["8980848","C/C(=C\\c1ccc(Cl)cc1)C(O)=NCCC[C@H]1CCS(=O)(=O)C1"]
["124306072","COC(=O)CC(C)(C)CC(=O)Oc1ccccc1OC(F)(F)F"]
["2872915","CC(O)=NCCN=C(O)Nc1cccc(OCC(F)(F)F)c1"]
["143299399","Cc1c(CC(O)=NCc2ccc(Oc3cccc(F)c3)nc2)cccc1[N+](=O)[O-]"]
["125991955","CCOc1cn(-c2ccccc2)nc1C(=O)NN=C(O)CCCc1ccccc1"]
["175845496","CC1CCC(C)[N+]1(C)c1ccc(C(O)O)cc1O"]
["198640360","Cc1cc(-c2cc(N=C(O)C3CC3)ncc2Cl)ccc1CN.Cc1cc(-c2cc(N=C(O)C3CC3)ncc2Cl)ccc1CN=C(O)OC(C)(C)C.Cl"]
["154323880","COc1ccc2ncc(F)c(CCN3CC[C@@H](NCc4cc5c(s4)CCCN5)[C@@H](O)C3)c2n1"]
["25619398","CCOC(=O)N1c2ccc(C(F)(F)F)cc2C(N)CC1CC"]
["130177949","CC(C)c1nnnn1CC(O)=NCc1ccc(N2CCCCC2=O)cc1"]
["156323977","CCC(C)C(C)N1CC(C)C(Br)C1"]
["159634688","CCCCCCCCCCCC[N+](C)(CC)CC.[I-]"]
["MCULE-9588750154","COCc1ccc(-c2cnc(N=C(O)C3CCC(F)(F)CC3)c(OC)c2)cc1"]
["MCULE-5113789064","CCCOc1ccc(C2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1"]
["89745502","CC(=O)c1sc(N=C(O)Cn2c(-c3ccccc3)nc3scc(C(=O)O)c3c2=O)nc1C"]
["85550241","CCCC(C)N(C)C(=O)c1cc(C(F)(F)F)ccc1NN"]
["174054861","CCc1ccc(Cl)c(CN=C(O)C(N)COC)c1"]
["135757130","CSCC(=O)Nc1ccc(OC(=O)c2cncc(C)c2)cc1"]
["65252449","CC(O)C(N=C(O)C(Cc1cnc[nH]1)N=C(O)C(Cc1ccccc1)N=C(O)C(N)CC(=N)O)C(=O)O"]
["100000432","O=C(NCC(O)c1cccc2ccccc12)C(=O)NC1CCCCC1"]
["124346987","Cc1cccc(OCCCC(O)=NC2CC(C)OC(C)C2)c1"]
["MCULE-5464824483","COc1cc(OC)nc(NC(=O)c2nccc3ccccc23)n1"]
["67128119","O=C(CC(S)Cc1ccccc1)OCC(O)CO"]
["148965559","CC(=O)N(Cc1ccc(CNC[C@H](O)c2ccc(O)c3nc(O)ccc23)cc1)Cc1ccc(C(=O)N2CCC(C(=O)O[C@H]3CN4CCC3CC4)(c3ccccc3)CC2)cc1"]
["43335023","COc1ccc(N=C(O)C=Cc2ccco2)cc1Cl"]
["82048076","CC(C)(C)C(NC(C(F)CNC(=O)O)C(C)(C)C)c1nc(-c2ccccc2)cn1Cc1ccccc1"]
["94205324","O=C(NCC(=O)N1CCC(CCO)C1)c1ccc(Br)cc1"]
["25951337","O=C1CCC(C(C(F)(F)F)C(F)(F)F)CC1"]
["147561287","CCC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)c(C)c1"]
["115798567","CC(C)=CN=C(O)Nc1cccc(F)c1"]
["58550409","C[N+]1(C2Cc3ccccc3C2)CCCC1"]
["34582024","COC(=O)C[C@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)C1CNc2ccccc2C1"]
["70485882","CC(O)C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1"]
["147322923","CCc1cccc2c(CCN=C(O)C3(n4cccn4)CCNCC3)c[nH]c12"]
["865510","O=S(=O)(c1cccs1)N1CCCC1CN=C(O)c1cccc(Cl)c1"]
["169781810","COc1ccc(N=c2scc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOCC2)cc1"]
["28755271","CCN1CCN(c2ccc(-c3nc4nccc(C(O)=NC5CCCCC5)c4[nH]3)cc2)CC1"]
["86472625","CC(C)c1nc(N)cc(N(Cc2cccs2)C(C)C)n1"]
["191168436","COc1cc(OCC2CCCO2)ccc1/C=C/c1cc(/C=C/c2ccc3c(c2)CC=C3)nn1-c1ccccc1"]
["159042695","Cc1cc(C)n(CC(=O)N2CC[C@@H](c3nc(CCOCC4CCOCC4)no3)C2)n1"]
["MCULE-3858745005","COc1ccc(-c2cnccc2C)cc1C(O)=NCCF"]
["92149044","Cc1nc(CSc2ccc(F)c(C(=O)O)c2)cs1"]
["16565512","COc1ccc(S(=O)(=O)N(C)c2ccnc(C(=O)NCCc3c[nH]c4ccccc34)c2)cc1"]
["MCULE-8601138056","Cc1noc(C)c1-c1cnc(N=C(O)Cc2ccc(F)cc2)c(C#N)n1"]
["MCULE-3539279328","CC(C)c1cccc(-c2cc(Cl)c(C#N)s2)c1"]
["187408499","COC(=O)[C@@H]1CO[C@@H](CN)CO1"]
["31160941","COc1ccccc1C(O)=Nc1ccc(NCS(C)(=O)=O)c(OCc2cc(C)ccc2C)c1"]
["158276129","C[C@@H]1C[C@H](C(O)=NC2CC(C)(C)NC(C)(C)C2)CO1"]
["105006318","COc1ccc(OC)c(N=C(O)CS[C@@H](C)c2nc(O)c3ccccc3n2)c1"]
["30831329","CN(C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1"]
["89189518","Cc1cc(C2(N)CC2(C)C)ccc1F"]
["163686804","COc1cc(CO)c(Cl)cc1CO"]
["148192973","Cc1cc(C(=O)N2CC[C@@H]3CNC[C@@H]3CC2)nn1-c1ccccc1.Cl"]
["MCULE-4064105327","CCS(=O)(=O)N1CCN(C(=O)c2cncc(-c3c(F)cc(OC)cc3F)c2)CC1"]
["55198297","COc1ccc(C(=O)c2oc3ccccc3c2CBr)cc1"]
["13340580","Cc1nnc(N/N=C/c2ccc(C(C)(C)C)cc2)nc1N/N=C/c1ccc(C(C)(C)C)cc1"]
["159486244","CNC1CCCCCC1.COc1ccc(N2CCOCC2)c2sc(N=C(O)N(C)C3CCCCCC3)nc12"]
["MCULE-4237147176","CCn1nc(C2CCCC2)c(-c2cc(C(F)(F)F)ccc2F)c1N"]
["65352117","CC(N)C(O)=NC(C(O)=NC(CCCCN)C(O)=NC(CO)C(=O)O)C(C)O"]
["149756162","CNC1CCCCC1[N+](C)(C)c1cnc(C([NH3+])=O)c(=Nc2ccn3ccnc3c2)[n-]1"]
["31204124","CCOC(=O)N1CCC2=C(NC3C=CC(Cl)=CC23)[C@@H]1c1ccc(OCCC(O)CN2N=CCN2)cc1"]
["124196318","C#CCN(CC#C)S(=O)(=O)c1cc(C)ccc1Br"]
["105159231","C[C@H](N=C(O)/C=C/c1ccccc1)C(O)=NCC(O)=NCc1ccccc1"]
["76502405","CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=Nc1ccncc1Cl"]
["188965852","CCOC(=O)CCCCCCNC(c1ccc(Br)cc1C)c1ccccc1N(C)C"]
["114340078","COc1ccc(-n2ncnc2CNC2CC2)cc1"]
["32657816","COC[C@H]1C=CC(=O)N1C(=O)OC(C)(C)C"]
["174721732","CC1(C(=O)O)C=CC=C(C(=O)O)C1.O=C(O)C(F)(F)F.c1ccc2c(c1)cnn2-c1noc(C2CCNCC2)n1"]
["17499813","O=c1ccccn1CCCCNc1ccccc1[N+](=O)[O-]"]
["MCULE-6413948073","COc1cc(-c2c(F)cc(F)cc2C(O)=Nc2cccc(C#N)c2)ccc1C"]
["MCULE-4482484742","COCC1CCN(C(=O)c2c(-c3ccc4c(cnn4C)c3)cnn2C)CC1"]
["117862845","O=C(Cn1ncc2ccccc21)Nc1ccc(CCO)cc1"]
["3142141","CCn1c(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1"]
["MCULE-8407066719","Cc1ccc(NC(O)=Nc2ncccc2OCCOc2ccc(C(C)(C)C)cc2)cc1C"]
["129316616","Cc1nn(C)c(C)c1CN=C(O)COCc1ccccc1"]
["MCULE-1716337550","COc1ccc(OC)c(C(=O)Nc2ccc(-c3ccc(F)cc3C#N)cc2C)c1"]
["MCULE-5415151394","Cc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1N=C(O)c1sccc1Oc1ccc([N+](=O)[O-])cc1"]
["MCULE-3997471598","CCOc1ncccc1C(=O)N1CCc2cc(-c3ccccc3OC(F)(F)F)ccc2C1"]
["6114096","COc1ccc(Cl)cc1NCC(O)=Nc1cnn(CC(=N)O)c1"]
["179562614","CCNCCOC1(C)CC1"]
["170290011","CSc1ccc2c(c1)C1[C@H]3C(CCCCCCCCS(=O)CCCC(P)(P)C(C)(F)I)[C@@]45CC[C@H](O)[C@@]4(C)CC[C@@]21C35"]
["74361176","COc1cccc(CC(Cl)C(=O)O)c1"]
["137525696","Cn1nnc2cc(C(O)=Nc3ccccc3OC(C)(C)C)cnc21"]
["62434029","CC[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1"]
["100538132","CC(C)CCCCC=CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"]
["13092497","C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N=C(O)c2ccc([N+](=O)[O-])cc2)cc1"]
["175444155","BrC(Br)Cn1ccnc1"]
["18203440","O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)c2ccc(O)cc2)CC1"]
["47271016","CCS(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2"]
["87558092","CC(C)Cc1nnc2n1NC(c1ccc(F)cc1)CS2"]
["143579891","CCOC=C(C#N)C(O)=NCc1coc(-c2ccccc2)n1"]
["MCULE-2754657706","CO/N=c1\\c(=N/OC)c2nonc2n(C)c2nonc12"]
["95535725","CCC(CCO)N=C(O)CC1(N)CCCC1"]
["132139912","O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1ccnc(Cl)c1"]
["19732579","CCOC(=O)c1ccc(C[C@@H]2SC(=Nc3ccc(CC)cc3)N=C2O)cc1"]
["181914934","CC(C)(C)OC(=O)[C@@](CCC(=O)O)(NOCc1ccccc1)C(=O)O"]
["45023871","CC(=O)OCC[C@@H](CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C"]
["MCULE-6097733215","N#Cc1nc(-c2cc(F)c(F)cc2F)cnc1N=C(O)C1CC(=O)N(C2CCCC2)C1"]
["198057838","C#CCCC1(CCN=C(O)c2sc(-n3cccc3)nc2CC)N=N1"]
["135733265","COC(=O)c1ccccc1N=C(O)N1CCOC(C)(c2ccccc2)C1"]
["MCULE-5401479528","COc1ncc(-c2ccc(CN3CCN(C)CC3)cc2)cc1N=C(O)c1ncccc1C"]
["137322087","O=Cc1ccc(OCC(O)=NCCC2=CCCC2)c([N+](=O)[O-])c1"]
["169408462","N=C(CS(=O)(=O)c1ccccc1)Nc1ccsc1C(=O)[O-]"]
["MCULE-8954235415","COc1cncc(-c2ccc(F)c(N=C(O)c3ccc(C)cc3OC)c2)c1"]
["70564414","COc1ccccc1C(C(=O)c1ccccc1)=C1CCCO1"]
["95979428","CCCCCCCCCC(O)=NN=C(O)C1CCCO1"]
["174748501","C[SiH](C)[Si](C(=O)c1ccccc1)C(C)(C)C"]
["65704484","O=C(O)CNCC1CCCN(Cc2ccccc2)C1"]
["MCULE-5491074495","N#Cc1cc(F)c(F)cc1-c1cnc(N=C(O)c2c(F)cc(F)cc2F)nc1"]
["97571304","C=C1C=CC=[C+]C1"]
["57879603","Cc1cc(C)n(Cc2cccc(CNC(=O)c3cc(CC(C)C)[nH]n3)c2)n1"]
["139253505","CC(C(=O)N1CCN(C(C)C(O)=NC2CCCC2)CC1)c1cccs1"]
["101960331","CN1CC[C@]23c4c5cccc4OC2[C@H]2CC[C@@]3(CC2)[C@H]1C5"]
["153892823","COc1cccc(CCN=C(O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC"]
["187958917","CCCCCCCCC(CCCC)C(O)=NC1CCN(C)CC1"]
["120042348","CCC1CCC(C(O)c2ccc(Br)c(Cl)c2F)C1"]
["133690746","CC(C(O)=NN=C(O)CC12CC3CC(CC(C3)C1)C2)n1cncn1"]
["154004659","N=C(N)NCCC[C@H](N=C(O)[C@@H](CS)N=C(O)Cc1ccc(-c2ccccc2)cc1)C(O)=N[C@@H](Cc1ccc2ccccc2c1)C(O)=NCCc1ccccc1"]
["97855715","CC(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C)c2cc1C(c1ccccc1)c1cc(c(C(=O)OC(C)(C)C)cc1C(=O)OC(C)(C)C)C(c1ccccc1)c1cc(c(C(=O)OC(C)(C)C)cc1C(=O)OC(C)(C)C)C(c1ccccc1)c1cc(c(C(=O)OC(C)(C)C)cc1C(=O)OC(C)(C)C)C2c1ccccc1"]
["MCULE-7719695364","Cc1ccccc1NC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O"]
["75662513","CN(N=Cc1ccc(O)cc1)[PH](C)=S"]
["886616","COc1cccc(C2Nc3ccccc3C(=O)N2O)c1O"]
["180061434","C=C1SCC(C)(O)I1Cc1ccncc1"]
["160214385","CC1(C)CCCC(N=C(O)N2CCC(N3CCCCC3=O)CC2)C1"]
["25403633","Cc1ccc(C2OC3COC(c4ccc(C)cc4)OC3C(C(O)O)O2)cc1"]
["196420940","CC(NC1CCCSCC1)C(=N)O"]
["194782177","N=C(O)CCNN=C(O)CN=C(O)c1cnccn1"]
["200227075","CCN1C2CCC1CN(CC(O)C(F)(F)F)C2"]
["174945881","CN(OCCCSF)C(=O)OC(C)(C)C"]
["144345404","O=C(C1CCCOC1)N1CCN(c2ncnc3sccc23)CC1"]
["150765292","C(=C\\c1ccccc1)\\Cc1c[nH]c2cnccc12"]
["47031277","CCCNCC1(CN(CCO)C2CCCCC2)CCCC1"]
["MCULE-4744129332","COCC(O)=NCCCN1CCN(C(=O)Cc2nnc(O)c3ccccc23)CC1"]
["MCULE-6273719543","CC(=O)N1CCC(C(O)=Nc2cc(C)c(-c3cccc(C(=O)N4CCCCC4)c3)cc2F)CC1"]
["117969262","CCN=C(NCc1ccc(CS(=O)(=O)NC)cc1)NCc1ccccc1OC.I"]
["CSSS20621694435","CC(C)(C)n1cnc(C(=O)N2C[C@H](N=C(O)C3=CCCC3)[C@@H](C(F)(F)F)C2)n1"]
["110239041","CCNc1ccc(C(O)=Nc2cc(CN3CCSCC3)ccc2C)cc1[N+](=O)[O-]"]
["171458240","C=C(C)C(=O)OCCOc1cccc2cc(OCC)ccc12"]
["23100767","COc1ccccc1N1CCN(c2ncccc2CNC(=O)c2ccco2)CC1"]
["172576477","COc1cc(C(CN)Cc2ccc(F)cc2)c(Cl)cc1[N+](=O)[O-]"]
["185705575","CCCCCc1ccc(OC(=O)c2ccc(-c3cccc(C#N)c3OC(CCC)CCC)cc2)cc1"]
["177901602","Cc1ccc(F)c2c1NC(C(O)=Nc1cccc(N3CCCS3(=O)=O)c1)C2"]
["95308317","CN1CCC(CN=C(O)[C@@H](N)CCc2ccccc2)C1"]
["132580273","COc1ccc(CC(C)N=C(O)c2sccc2OC(F)F)cc1OC"]
["115681588","Cc1cc2onc(CC(=O)Nc3ccc(Br)cc3)c2cc1C"]
["80530042","CCOC(=O)C(C#N)=Cc1ccc(-c2c(C)cccc2[N+](=O)[O-])o1"]
["189889901","[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2ncccc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)c(C#N)c1"]
["184007962","[N-]=[N+]=Nc1c(Cl)n(Cl)c2ccccc12"]
["194203796","C=CC(=O)c1cn(-c2cc(NS(=O)(=O)CC)ccc2Oc2c(C)cccc2C)c2c(c1=O)CC=C2"]
["51978891","CCC(C)NCC1=N/C(=C2\\C=CC(=O)C(OC)=C2)NO1"]
["86096327","c1cc2c(s1)CCCC2NCC1CCCS1"]
["MCULE-9344527110","COc1ccc(OC)c(C2=C(Nc3ccc(C(C)C)c(C)c3)C(=O)N(c3ccc(OCC(C)C)cc3)C2=O)c1"]
["152411769","CCN1C(=O)/C(=C\\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=Nc1ccc(C(=O)OC)cc1"]
["189790448","C=CC1=CCC2(C)C(C)CCC2(C)C1C"]
["MCULE-2180667040","CCOC(=O)C(CCSC)N=C(O)COCc1ccccc1"]
["56261525","Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)C2=NO[C@]3(CNC(CN=c4[nH]c5ccccc5[nH]4)C3)C2)C(=O)O)c(C)c1"]
["107210437","NC[C@@H](CC(=O)N1CCCCCC1)c1c[nH]c2ccccc12"]
["107176821","Cc1ccc(OC[C@H](CC(=O)O)c2cccnc2)cc1C"]
["98906661","CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O"]
["58763397","CCC(O)=NCC(C)c1ccc(-c2ccccc2)cc1"]
["69807791","Cc1nc(CN2CCCC(C)(c3ccccc3)C2)cs1"]
["8955447","OC(CNc1ccccc1Oc1ccccc1)=NCc1ccc2c(c1)OCO2"]
["100122831","CCC(C)CC(=O)N1CCC(Oc2ccc(OC)nn2)C1"]
["MCULE-1146779540","COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(CC(O)=NCC(C)C)cc1"]
["MCULE-4886006166","CC(C)(C)OC(=O)N1CCCC(n2nc(C(C)(C)C)c(CN)c2Br)C1"]
["4508752","COc1ccc(CCN=C(O)c2cc(N=C(C)O)ccc2F)c(OC)c1"]
["21929879","Cc1[nH+]c(CN2CCC(C(O)=[NH+][C@@H]3CCN(C4CC4)C3)CC2)cs1"]
["MCULE-5520009036","Cc1cc(=O)cc(C)n1CCCC(O)=Nc1c(C#N)cnn1-c1ccccc1"]
["137319198","CCCC(C)(CO)NC(=O)c1cc(C(=N)O)cn1C"]
["147609394","CC(=Nc1ccccc1)Nc1cncnc1"]
["54002804","C=C(CC(=O)c1ccc(OC)cc1)Nc1cccc(C)c1C"]
["172299641","CN.Cc1cnc(NN)cc1CCCN1CC2(CC(Oc3ccc(Cl)c(C=O)c3C)C2)C1"]
["141322791","Cc1co[nH]c1=NC(=O)C(=O)N1CCC(c2nnc3ccccn23)CC1"]
["74155789","CC(C)c1ccc(N2CCC(N3CCCC3)CC2)nc1"]
["188769674","CSc1ccc(-c2ccn3nc(C)cc3c2)c2cn[nH]c12"]
["107087494","CC(C)Oc1ccc(CCn2cc(N)cn2)cc1Cl"]
["161062326","Cn1cc(C(O)=NCC2(C)CCC2)c(C2CCCNC2)n1"]
["176248656","COc1ccc(O)c(-c2ncc(-c3ccccc3)[nH]2)c1"]
["78999797","Cc1cccc([SiH2]OS(=O)(=O)c2ccccc2)c1C"]
["MCULE-1824632360","CCOC(=O)N1CSCC1C(=O)Nc1c(C#N)cccc1-c1ccc(N2CCN(C)CC2)nc1"]
["129801622","CS(=O)(=O)N1CC(CN=C(O)c2cnn(Cc3ccccc3Cl)c2)C1"]
["MCULE-5600683843","O=C(CNC(=O)c1nc(C2CC2)n2ccccc12)Nc1ccc(OCc2ccc(Cl)cc2)cc1"]
["MCULE-8046592525","COc1ccc(CCN=C(O)C(CCC(=N)O)N=C(O)c2ccccc2Cl)cc1OC"]
["159927919","O=C(C1CCN(C(O)=Nc2ccccc2)CC1)N1CCC(C2CCOCC2)C1"]
["155614634","COC(=O)[C@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3"]
["44255189","Cc1ncn(-c2cc(NCCNS(=O)(=O)c3ccccc3)ncn2)c1C"]
["MCULE-8593397796","O=C(Cc1cccc(F)c1-c1ccc(C(F)(F)F)nc1)N1CCN(C2CCCCC2)CC1"]
["142973701","N#Cc1ccccc1CSCCNC(=O)C(=O)Nc1cnn(CC(F)F)c1"]
["117896077","CCN=C(O)c1cccc(CNC(=NC)NC2CCS(=O)(=O)C2)c1"]
["18113917","COc1ccccc1-n1c(SCC(O)=N[C@@](C)(C#N)C(C)C)nnc1N1CCCCC1"]
["75427401","CC(C)(C)c1cc(CF)on1"]
["17454951","N#Cc1ccc(=NC(=O)c2ccc(F)cc2F)[nH]c1"]
["183425540","OC(=Nc1cccc(CBr)c1)Nc1cc(F)cc(F)c1"]
["145617568","COCCN1C(=O)C[C@@H](CNC(C)C(C)(C)n2cncn2)[C@@H]1c1cnn(C)c1C"]
["175855470","CC.CN=C(N=C(O)Cc1ccccc1)SC(C)C1CCC(c2nnc(N=C(O)Cc3ccccc3)s2)C1"]
["57956603","CC(C)(C(=O)O)c1ccccc1OCc1ccccc1"]
["172368427","CC(C)(C)[Si](C)(C)OCCn1ncc2c1CCCC2"]
["147893051","Cc1cccc(SC2CCN(C(O)=NCCCOc3cccnc3)CC2)c1"]
["MCULE-4899658559","CCCN=c1nc(N(C)CCO)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1"]
["MCULE-5360981116","OCCOCCN=C(O)Cc1nonc1OCC(O)=NCC1CCCO1"]
["99851722","[Si]CCCNCCCCCCCCCCCCCCCCCCCNCc1ccccc1"]
["132439939","CN(C)Cc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1"]
["159062993","CCOC(=O)c1c(C#N)cc(CO)cc1CC"]
["65430105","CCOc1cccc(CN)c1OCC#Cc1ccccc1"]
["56722936","COCCN1CCN(C(=O)c2coc(COc3ccc4c(c3)C(c3ccccc3)N(C(C)=O)CC4)n2)CC1"]
["112378455","Cc1ccccc1NCc1cnccc1CN"]
["80350902","CCc1nc2c(s1)/C(=N\\Nc1ccc(C(=O)O)cc1)CCC2"]
["MCULE-1305852794","O=C(OCc1ccnc(F)c1)C1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1"]
["142532450","CCOc1ccc(OCC(O)CN(CC(F)F)C2CC2)cc1"]
["29845153","N#Cc1cccc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)c1NCCCO"]
["108077025","CCn1nc(C)c(CCN=C(O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1C"]
["112365299","Oc1cccc(CC2CC3CCC(C2)N3)c1"]
["105595983","CCn1cc(C[C@@H](C)N)cn1"]
["MCULE-3849966458","O=C(c1ccc2cc(-c3cncc(F)c3)ccc2c1)N1CCC(N2CCCCC2)CC1"]
["164600158","C[C@]12CC[C@@H]3c4ccc([C@@H](CC(F)(F)F)c5ccc6c(c5)OCO6)cc4CC[C@H]3[C@@H]1CCC2=O"]
["45355261","CCCC1=C2[C@@H](CC/C(C)=C/c3cc(I)c(O)c(OC)c3)OC[C@@H]2[C@@H]2C(=O)N(Cc3cccs3)C(=O)[C@@H]2C1"]
["98919392","Cn1c(C(=O)Oc2ccc(Cl)cc2Cl)ccc1-c1ccc(O)cc1"]
["99191012","C=CC(=O)O.O=C(O)CCn1c(=O)n(CCC(=O)O)c(=O)n(CCC(=O)O)c1=O"]
["178128053","C=NNc1ccc(Nc2nc(-c3cccc(NC4OC4CCC)c3)nc3cc(OC)ccc23)cc1C"]
["172766475","C=C1C=CC2=C(CCN2)C1"]
["10224560","COc1ccc(-c2cc(=O)n(CC(O)=Nc3ccc(Cl)cc3Cl)cn2)cc1"]
["102999930","COC(=O)/C=C/C(C#N)(C#N)N=Cc1ccc(C)cc1"]
["121078584","COc1cc(F)c(NC(O)=NN=c2cnc3ccccc3[nH]2)cc1F"]
["23089715","CCCCN(C)S(=O)(=O)C1CCS(=O)(=O)C1"]
["21434168","O=C1CCCN1c1cccc(OCC(O)=Nc2ncccc2O)c1"]
["122835878","CN(Cc1ccc2c(c1)OCO2)C(=O)C(O)=Nc1ccc(C(C)(C)C)cc1"]
["147534498","Cc1cc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)c(Cl)cc1Cl"]
["114214030","CCCC(CCC)C(O)=NCCCCCCl"]
["104919061","O=[N+]([O-])c1cccc(N=C(S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c1"]
["MCULE-2467491197","Br.CC=CC(O)=NCCCc1ccc(O)cc1"]
["4373668","CCOC(=O)N1CCC(N=C(O)[C@@H](C)S[C@H](C)c2ccc(F)cc2)CC1"]
["83401164","CN1C(=O)C2C(N=[N+]=[N-])C([N+](=O)[O-])C(=O)N(c3ccccc3)C2N(C)C1=O"]
["86415576","CCc1c(NN)ncnc1NCCCS(C)(=O)=O"]
["97838245","C=C(C)C1CC[C@@]23[C@@H](O)CC[C@H](C)[C@@]2(C)CC[C@H](C)[C@@H]3C1c1c[nH]c2ccccc12"]
["186485553","COC1=C2OCCOC2C2C(Cl)=CC=NC2=C1"]
["56362926","CCc1nc(N(C)N)nc(=O)n1-c1ccc(Cl)cc1"]
["MCULE-5465000442","CC(C)OC(=O)N1CCC(OC(=O)c2cncnc2)CC1"]
["MCULE-1434873018","CCCCN1CCN(C(=O)C(C)Oc2ccccc2-c2ccc(F)cc2)CC1"]
["169462284","CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)CCCCCCCCCCCCCCCC"]
["92328400","CSc1nnc(Sc2cc3c(cc2F)C(O)C(O)=N3)s1"]
["MCULE-7976420916","COc1cc(C2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCOC(C)C)ccc1OCc1ccccc1"]
["156918291","C[C@H](N=C(O)N1CC[C@H](c2cnn(C)c2)C1)[C@H](C)C1CCCCC1"]
["181911825","Nc1ccc(-c2cnc([C@@H]3C=c4cc5c(cc4CC3)=CC(c3cc(Cl)ccc3-n3cnnn3)=CC5)[nH]2)cc1"]
["MCULE-1135298555","CCC(N=C(O)c1ccc2c(c1)C(=O)N(C(CC(C)C)C(=O)O)C2=O)C(O)=NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1"]
["188180588","CC/C(C(=N)Nc1cc(-n2nc(C)c(Cl)c2C(F)F)ncn1)=C(/NC)c1ccc(F)cc1"]
["14260502","CCC(=O)C1=C(c2ccc(OC)cc2)N(C(=O)CC)n2c(CC)nnc2S1"]
["59372469","CC(=O)SCCOP(=O)(O)OCC1CCC(n2ccc(=N)nc2O)O1"]
["198487691","COc1cc(-c2cnc(O)c3cnc(C(F)(F)F)cc23)cc(OC)c1CN1CCN(CCC2CCN(c3ccc4c(c3)CN(C3CCC(O)=NC3=O)C4=O)CC2)CC1"]
["187765901","C[C@H](N=C(O)[C@@H]1Cc2ccc(O)c(c2)-c2cc(ccc2O)[C@H](N(C)C(=O)[C@H](CCCCN)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(O)=N[C@@H](C)C(O)N1)C(=O)N1CC[C@H]1C(=N)O"]
["149710398","CC1(C)CCCSc2c(C3CC3)cc(C=O)cc21"]
["58481926","CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc21"]
["22936279","O=C(CN=C(O)C12CC3CC(CC(C3)C1)C2)OCc1nnc(-c2cccs2)o1"]
["MCULE-2205711256","Cc1cc(F)cc(-c2ccnc(F)c2)c1NC(=O)c1ccon1"]
["33773636","C=CCCCCCCCCC(=O)OC[C@H]1O[C@@H](Cc2ccccc2)[C@H](OC)[C@@H](OC)[C@@H]1OC(=O)CCCCCCCCC=C"]
["MCULE-3920800955","CCC(NC(=O)c1ccc(F)cc1)C(=O)N1CCCC(C(=O)CCCc2ccccc2)C1"]
["55434590","CN=C(O)CCNCCCCCC(=O)O"]
["182843277","C=COCCC1CCC1=O"]
["MCULE-4738629967","COc1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc(OC)c1-c1ccc(C#N)cc1"]
["79177119","OC1CCCCC1(O)N(O)O"]
["101739389","OCC#Cc1ccc2ncnc(N[C@H]3CC[C@H](N4CCC5(CC4)CC5)CC3)c2c1"]
["23308615","CC(C)(CN=C(O)c1cnn2cccnc12)N1CCCCC1"]
["105502822","C[C@H](O)CN(C)CCc1ccc(Cl)cc1"]
["MCULE-3339860088","O=C1C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccccc2F)C(=O)N1c1ccccc1Oc1ccccc1"]
["108663025","CC[C@H](N=C(O)/C=C/c1ccc(C(=O)O)cc1)c1ncc(C)s1"]
["184669251","C#CCOCC(C)C.C=C.NC(=O)c1ccc(C(N)NN(N)c2ccccc2)cc1"]
["119313846","OCc1cccc(N=C(O)C2CC2c2ccco2)c1"]
["MCULE-5564686081","NS(=O)(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1"]
["68455074","CC(C)=CCC12C[NH+]3CC[NH+](CC(C3)C1=O)C2"]
["MCULE-1512537171","COc1ccccc1C1C(C(=O)N2CCCCC2)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl"]
["17020897","CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-n3cc(C)cn3)cc2)cc1"]
["42587136","CCCc1nccn1CC(=O)c1cc(C)sc1C"]
["10004686","CC(C)n1cc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cn1"]
["181081920","CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)c2ccnc(NN=[N+]=[N-])n2)cc1"]
["1394707","C=CC[C@@]1(O)CC[NH+](C)C[C@@H]1C"]
["12904915","CCSc1ccc(C(=O)N=c2[nH]nc(Cc3ccc(S(C)(=O)=O)cc3)o2)cc1"]
["20251404","C#CCN=C(O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1"]
["101392588","CN(CCn1cccn1)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c([N+](=O)[O-])c(N)c1C(=O)OCc1ccccc1"]
["22365783","O=C(c1ccccc1)N1CCC[C@H](C(O)=Nc2ncccc2O)C1"]
["151660070","O=c1ccc(-c2ccccc2)nn1CCN=C(O)[C@H]1COCCO1"]
["57429906","CC(C)(C)C(=O)N1CCC(C(O)=NCC(c2cccs2)N2CCCC2)CC1"]
["MCULE-5931276396","COc1cnc(C(O)=Nc2cc(F)ccc2-c2ccc(C)o2)cn1"]
["MCULE-1232005304","CCOC(=O)C1CCCN(C(=O)C(C)Oc2ccc3c(c2)CCCC3)C1"]
["75594757","[2H]Oc1nc2c(F)c(F)c(C([2H])([2H])[2H])c([2H])c2n1C1([2H])C([2H])([2H])C([2H])([2H])N(C(=O)OC(C([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])C1([2H])[2H]"]
["MCULE-4232632041","Cn1cc(-c2ccc(C(=O)N=c3cc[nH]cc3F)c(C(F)(F)F)c2)cn1"]
["1343840","CCCOc1ccc(C(O)=Nc2ccc(Cl)cn2)cc1OCC"]
["109907257","C[C@@H]1CCc2sc(C(=O)NN=C(O)[C@H]3CCCN3C(=O)c3ccc4ccccc4c3O)cc2C1"]
["30148137","CC(=O)COc1cc(O)c2c(c1Cl)CC(=O)/C=C/CC/C=C/C[C@@H](C)OC2=O"]
["121320702","CC1(C)CN(C(O)=NC2CCCc3sccc32)CCO1"]
["154833575","O=C(c1cccc2c1OCCO2)N1CC(N2CC(Oc3ccccc3F)C2)C1"]
["170057494","CN=Cc1nc(N=C(O)C(Cc2ccccc2)N2CC(=O)N(c3cc(Cl)ccc3-n3cnnn3)CC2=O)ccc1N"]
["67940574","COC1=CC(F)(OCc2cccc(CBr)c2)C(F)=CC1c1ccccc1"]
["20253139","O=C(CCN=C1N=C(Cl)N[C@H]2N=CN=C12)[N-]Cc1ccncc1"]
["30819106","COc1ccc2ncc(Cl)c(CCN3CC[C@@H](N=C(O)OC(C)(C)C)[C@@H](O)C3)c2c1"]
["167539102","OCC1(CC(F)F)CC1"]
["86010535","CC1CCSC2(CCCSC2C)N1"]
["MCULE-3754866428","C=CCN(CC=C)C(O)=Nc1cccc(C(=O)OC(C)C2CC2)c1"]
["MCULE-2596939774","O=C1C(NCC2COc3ccccc3O2)=C(c2ccc(Cl)cc2)C(=O)N1C12CC3CC(CC(O)(C3)C1)C2"]
["118309990","CN=C(NCCCC(=O)N1Cc2ccccc2C1)NCc1ccc(OCC(F)(F)F)cc1.I"]
["140670841","Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1nc(C)c(C)s1"]
["117221314","CCSCc1cc(O)nc(SC(CC)C(O)=Nc2c(C)cccc2C)n1"]
["85545577","CC(C)CCN=C(O)C(C)S(=O)(=O)c1cccc(F)c1"]
["189849004","N=c1[nH]c2ccccc2c2nc(-c3cscc3O)nn12.OC1=NCCCC1"]
["46423747","COc1ccc(Br)cc1C1C(C(O)=Nc2cccc(C)c2)=C(C)N=C2N=C(SCc3ccccc3Cl)NN21"]
["MCULE-4821837662","COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(Cl)c2)c(OC)c1OC"]
["53916583","Cc1cnc(Nc2cc(C(=O)O)c([N+](=O)[O-])cc2F)s1"]
["90626090","CC=CCC(C)C(O)C1C(O)=NC(CC)C(=O)N(C)CCCC(=O)N(C)C(CC(C)C)C(O)=NC(C(C)C)C(=O)N(C)C(CC(C)C)C(O)=NC(C)C(O)=NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C"]
["110757468","O=S(=O)(/C=C\\c1ccccc1)N1CCC(C(O)=Nc2cccc3ccccc23)CC1"]
["65532503","N=c1nc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c(N)c-2nc1-c1ccc(N(CCO)CCO)cc1"]
["180136291","Cc1ncsc1-c1ccc(CN=C(O)[C@@H]2CCCN2C(=O)[C@@H](N=C(O)CCC(O)=NCCOCCOCCN=C(O)N2CCC(CNc3ccc(S(=O)(=O)N=C(O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CC(C)(C)CC6)CC5)cc4Oc4c[nH]c5nccc-5c4)cc3[N+](=O)[O-])CC2)C(C)(C)C)cc1"]
["160517050","Cn1nccc1CC(=O)N(C1CC1)C1(C#N)CCC1"]
["197651179","CC(C)COCC(CS(=O)(=O)Cl)C1CC1"]
["15953974","CCCCN1C(=O)[C@](C)(C(O)=NCc2ccc(Cl)cc2)Oc2cccnc21"]
["171982321","CCOC(=O)[C@@H](Cc1ccccc1OCc1ccnc(-c2ccccc2OC)n1)Oc1ncnc2sc(-c3ccc(F)cc3)c(-c3ccc(O)c(Cl)c3C)c12"]
["42557060","CCN1CCC[C@@H](C(O)=N[C@H](C(=O)C[C@H](C(=O)N2C[C@]3(C[C@H]2C(=O)C[C@@H](CC2CCC2)C(O)=NS(=O)(=O)C2CC2)C(C)(C)C32CCC2)C(C)(C)C)C(C)(C)C)C1"]
["3502990","CC(=O)N1CCN(C(=O)c2coc(CN(Cc3ccc(F)cc3)Cc3cccc(Cl)c3)[nH+]2)CC1"]
["91790442","CCCC1CNC(=NCc2ccc(S(N)(=O)=O)cc2)S1"]
["10005086","CC[C@H](C)c1csc(N=C(O)CCCN=c2nccc[nH]2)n1"]
["MCULE-8314245579","CN(Cc1ccncc1)C(=O)c1ccc(-c2cccc(F)c2)cc1"]
["21044822","O=C(NN=C(O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1"]
["6754463","Nc1cccc2c1C(=O)N(C(=O)c1cc(-c3cccs3)nc3ccccc13)C2=O"]
["128025258","O=C(OCC(F)(F)C(F)F)c1cnc2ccccn2c1=O"]
["133912249","CN(C)C1CCCN(C(O)=NCc2ccccc2CN2CCOCC2)C1"]
["17125650","CCN(CC)S(=O)(=O)c1cc(C(O)=NN=C(O)COc2cccc(C)c2)ccc1F"]
["100487725","CCCCCCCCCCOC(=O)/C=C/C(=O)OC1C2CC3CC(C2)CC1C3"]
["99896948","O=C(/C=C(/O)c1cc(Cc2cc(F)c(F)c(F)c2)cn(Cc2ccccc2F)c1=O)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1"]
["65620349","Nc1c(F)cccc1C(=O)N(CCO)C1CCCCC1"]
["137119835","COC(CN=C(O)C(c1ccccc1)C(C)C)C(C)(C)C"]
["174535079","CCOc1ncccc1C(CC)n1c(O)nc2cnc(-n3cnc4ccccc43)nc21"]
["175256210","CC#Cc1ccccc1-c1cccc2ccccc12"]
["91500429","N=C(O)C1C=C(C2CCCCC2)N=NC1=O"]
["46915353","O=C1C=CC=C/C1=C1/NNC2=C1C(c1ccc(Cl)c(Cl)c1)N(CC1CCCO1)C2=O"]
["58127249","CCNCc1cccc(OCCOC2CCOCC2)c1"]
["51074889","CCCCCCCCOC(=O)C1CCC(c2ccccc2)=C(CC)C1C"]
["77519504","CN(Cc1cccc(C2=NC(=O)C3CCCCCC3=N2)c1)Cc1c[nH+]ccn1"]
["135698972","CCCN=C(O)c1cccc(CN=C(O)Nc2c(F)cccc2OC)c1"]
["137892251","CSc1ccccc1NC(=O)C(=O)N1CCN(CC2CC2)CC1"]
["175427830","N.O=C(OF)C(=O)OF.OB(O)O"]
["2057814","C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1ccc[nH+]c1)c1ccc(-n2ccnc2)cc1"]
["176609946","CC1CCCN1C=O.CCCCO.CNC(=O)c1nc(C)c(-c2cnc(NCC(F)(F)F)cc2C(F)F)s1"]
["103024179","N.[NH3+]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)O)C(F)(F)F"]
["MCULE-2494460942","Cc1cccc(-c2ccc(CCCC(O)=Nc3ccc4c(c3)OCCO4)cc2)c1C"]
["144553865","CCOc1ccc2c(c1)CN(C(O)=NC(COC)c1ccc(C)o1)CC2"]
["MCULE-7303529997","COc1ccc(-c2c(C)noc2C)c(N=C(O)C2CCN(S(C)(=O)=O)CC2)c1"]
["103941879","O=C(N/N=C\\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl"]
["MCULE-9102000724","N#Cc1ccc(N=C(O)c2ccc(N3CCOCC3)cc2)c(-c2cccc(F)c2C#N)c1"]
["142029456","CCCC1(C)CCCN(C(=O)c2cn(CC3(C)COC3)nn2)C1"]
["106129221","Cc1cc([C@H](O)CN2[C@@H](C)CCC[C@@H]2C)ccc1F"]
["28897490","CC(C)(C)c1ccc(CCC(O)=Nc2cccc(-c3ccccn3)c2)cc1.Cl"]
["10175044","C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@H](c2noc(CC)n2)C1"]
["MCULE-4708616655","COc1cncc(-c2c(C)cc(NC(=O)c3ocnc3C)cc2C)c1"]
["179981913","CN1CC2CC23C1CN3C(=O)C(=N)C1C=C(c2ccc(F)cc2)C=CC1N"]
["149610644","CCc1nc(-c2ccc(C(=O)NCc3cccnc3)cc2)oc1C"]
["127366271","CCCC(C)(O)C(O)=Nc1cccc(C)c1Cl"]
["149897631","CCCNCCCCC(CC)CCC"]
["188143962","O=c1cc2oc(=O)c(-c3ccncc3)cc2c[nH]1"]
["MCULE-4205872483","COC(=O)c1cnc2c(-c3cc(F)cc(C(F)(F)F)c3)c(C(F)F)nn2c1Cl"]
["49467288","Cc1c(CC(=O)O)c2cc3c(cc2n1C(=O)c1cccc(Cl)c1)OCO3"]
["25960365","C1=CC2(Oc3cc4ccccc4cc31)c1ccccc1-c1ccccc12"]
["CSSS02728957091","Cc1ncc(-c2cn(CC(O)Cc3cccc(F)c3)nn2)cn1"]
["75704320","C=C(C)OC(=O)N(C)c1cc2nc(C)c(-c3cc(N=C(O)OC(=C)C)c(F)cc3C)cc2cn1"]
["34053765","CC(C)(C)[C@H](NCCC(F)(F)F)C(=O)N1C[C@H](ON=C2c3ccccc3-c3ccccc32)C[C@H]1C(O)=N[C@@]1(C(O)=NS(=O)(=O)C2CC2)C[C@H]1C(F)F"]
["51549381","C/C=C/C1(CCCCCC)OC(=O)C12CCC(OC(=O)c1ccc(OCCCCCC)cc1)CC2"]
["88727602","CCC1CCC(C)N1C(CC(=O)O)c1ccccc1"]
["118709650","CCOC1CCN(C(=NC)NCC(C)N2CCc3ccccc3C2)CC1.I"]
["69598499","CN1C(=O)CNN(CCCCC2CCN(c3cccc(Br)n3)CC2)C1=O"]
["168887623","Cc1ccc(C)c(C(C)Nc2ncc(F)c(N(C)C)n2)c1"]
["107446998","Cc1cc(C)nc(N2CCC[C@@H](C(O)=Nc3nccs3)C2)n1"]
["155012053","CC(C)c1noc(CN2CC[C@H](C)[C@H](CN)C2)n1"]
["26746504","CC(C)(C)C1=CC(=NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C(=O)C=C1"]
["137328467","OC(=N[C@H]1CC[C@H](O)CC1)Nc1cnn(-c2ccccc2F)c1"]
["194762153","OCC1CCCc2c1nnn2Cc1ccccc1"]
["11511827","CCOc1ccc(CCC(O)=Nc2ccccc2OC[C@H]2CCCCO2)cc1"]
["88200538","CCc1cc(CC)n(CCC(C#N)NC(C)C)n1"]
["MCULE-4758315400","CCn1nc(C)cc1C(=O)Nc1cnccc1-c1cncnc1"]
["77215616","CCC(=Cc1ccc(O)cc1)CCC1OB(O)CC2C1=C(CC)CC1C(=O)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C12"]
["MCULE-7048894996","Cc1c(NC(=O)c2cc3c(N4CCCC4)ncnc3n2Cc2ccccc2)cccc1[N+](=O)[O-]"]
["93782519","CNC(C)(C)C(=O)N=c1[nH][nH]c(C)c1C"]
["105391298","COC(=O)c1cc(CN=C(O)N2C[C@H](C)O[C@@H](C)C2)oc1C"]
["179765570","CC(C)=C1[C@H]2CC[C@]1(c1ccnn1CCC#N)c1nnc(-c3c(F)cccc3F)cc12"]
["142280415","Cc1cccc(OCC(C)N=C(O)c2cnn(CCC(F)(F)F)c2)c1"]
["12094760","C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=N)O)C2)cc1"]
["14485962","O=C(Oc1ccc(F)cc1Cl)c1cncc(Br)c1"]
["16421453","CN=C(O)COc1ccc(CN=C(O)Nc2cc(C(=N)O)ccc2C)cc1"]
["159450124","Fc1cccc(CCN=C(S)Nc2ccc(Oc3ccccc3)cc2)c1"]
["MCULE-2733407294","OC(C=Cc1ccc(F)cc1)=Nc1cccc(C(O)=Nc2ccc3nc[nH]c3c2)c1"]
["MCULE-1614339628","CC(C)(C)OC(=O)c1nn(C2CCCNC2)c(C(F)(F)F)c1Cl"]
["67313026","CN1CC(=O)C2OC2C1"]
["131852760","O=C(CCc1nc(-c2ccncc2)no1)OCc1cccc(F)c1"]
["167911617","CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC"]
["MCULE-5110563431","COc1cccc(C(=O)N2CCCC(C(O)=Nc3cccc(Br)c3)C2)c1"]
["80972628","CCNC(OC(=O)N=[N+](CCCC(C(=N)O)N(C(=O)C(c1ccccc1)c1ccccc1)C(C)c1ccc(OC)cc1)C(=O)OCc1ccccc1)c1ccccc1"]
["42242201","C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)C1"]
["101191258","COC(=O)CC(c1ccccc1C)C(F)(F)F"]
["154705053","C=CC(=O)OCCCCC1(C(=C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(Br)ccc4-5)c4ccccc34)cc21"]
["31771258","CCCCC(CC)Cc1c2ccsc2c(CC(CC)CCCC)c2ccsc12"]
["64809523","O=C(O)CN=C(O)CCn1ccnn1"]
["186818457","CCn1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21"]
["69633591","COCC1COC(C(C)COC(C)=O)C1C"]
["15508942","N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccc(F)cc1"]
["163972765","CCC(=O)Nc1ccc(NC(=O)c2nc3ccc(Cl)cn3c2F)c(C)c1"]
["197717513","CN(C)C(=O)c1ccc(N(C)C2CN(C(=O)OC(C)(C)C)C2)cc1Cl"]
["166340845","COc1ccccc1CCN=C(O)CSc1n[nH]c(=NCc2ccccc2)s1"]
["139005478","Cn1c(=O)oc2ccc(N=C(O)c3ncoc3-c3ccc4c(c3)OCCO4)cc21"]
["139001860","COc1ccc(-c2nc(N=C(O)C(C)(C)c3cccs3)n[nH]2)c(OC)c1"]
["105995207","CCc1cc2c(c([C@@H](N)CCc3ccccc3)c1)N=C(O)CC2"]
["179537499","CC(C)(C)OC(O)N1CCC(C(=O)O)(N2C(=O)C=CC2=O)CC1"]
["MCULE-1826530066","CC(C)Oc1ccc(-c2ccc(F)nc2)cn1"]
["835383","CN[C@@H](C)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=NNc1ccccc1)C(C)C"]
["134880430","O=C(NCCN=C(O)NCC(O)c1ccccc1)c1cccs1"]
["42102189","COc1cccc(CC(O)=NC(C)C2CCCCN2)c1"]
["68982252","C#CCN(CC1CCCO1)C(O)=NCCn1ncc2ccccc2c1=O"]
["64071446","CN(CC(O)=NC(C)(C)C)C(=O)c1cnn(-c2ccccc2)c1"]
["191530997","C=C(O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](c1ncc(-c2ccc(-c4ccc5cc(-c6cnc([C@@H]7CCCN7C(=O)[C@@H](CC(=O)OC)C(C)C)[nH]6)ccc5c4)cc2)[nH]1)C3"]
["181021199","C=C(CCCCCCCCCC)C(=O)OC(O)CCC"]
["96565883","Sc1c(-c2oc3ccccc3c2S)oc2ccccc12"]
["55519538","C(=C1\\CCc2ccccc21)\\c1cncn1Cc1ccccc1"]
["110141066","CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1"]
["167038698","Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C(C)C)c1"]
["141185005","N=C(O)CNC(=O)c1ccc(CN=C(O)c2cccnc2Br)cc1"]
["159676009","CC(c1cccnc1)N1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1"]
["MCULE-7463684605","CCOc1ccc(CC(O)=Nc2ccccc2-c2cnc(F)nc2)cc1"]
["194205581","C=CC(O)=Nc1cc(N2CCN(C)CC2)ccc1Cc1ncc2ccc(C(O)c3c(Cl)c(OC)cc(OC)c3Cl)cc2n1"]
["68111706","OC(=NC(c1ccccc1)c1cccc(OCc2cccc(OCCCCNC[C@@H](O)c3ccc(O)c4nc(O)ccc34)c2)c1)O[C@H]1CN2CCC1CC2"]
["64752752","Cc1cccc(=O)n1Cc1ccccc1C#N"]
["94880371","COC(=O)C1COCCN1C1CCCCC1CN"]
["127828755","OC(=Nc1ccccc1)c1cccc(Cn2nnc(C3CC3)n2)c1"]
["110159738","COC(=O)[C@@H](N=C(O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1"]
["150161979","CCCCc1cccc(-c2ccc3c(c2)-c2cc4c(c[n+]2C(C)(CC)C3(C)CC)C2CCC4CC2)c1"]
["26731799","O=CCCC1CCN(CCCc2ccc3c(c2)OCCO3)CC1"]
["184912921","COC(=O)CC[n+]1cc(-c2nc(C)cs2)sn1"]
["MCULE-7474046559","CCc1ccc(NCc2cc(=O)c(OCc3ccc(Cl)cc3Cl)cn2CCN(C)C)cc1"]
["MCULE-4301337524","COC(=O)[C@H]1C=C[C@@H](N=C(O)c2ccc(C#N)nc2)C1"]
["20680142","CNS(=O)(=O)c1cc(/C=C/C(O)=NCCn2c(C)nc3ccccc32)ccc1OC"]
["154469260","CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)cc1"]
["160192724","Cn1cc(C2CCCCN2C(=O)Cn2cnnc2O)cn1"]
["95634809","Cc1nn(C)c(Cl)c1CN(CCCl)C1CC1"]
["61044300","CCn1cc(C(=O)OCC(O)=Nc2cc(OC)ccc2OC)c(=O)c2ccc(C)nc21"]
["96076690","O=C(O)[C@H]1CC=CC[C@H]1C(O)=NCC1CCS(=O)(=O)C1"]
["115901076","OC(CCNCC1CCCO1)=NCCC1=CCCCC1"]
["MCULE-4104137566","Cc1cccnc1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1"]
["178225761","CCC=CC=C(C)c1ccc(N)c(N=C(O)c2ccc(C[P+](=O)OCc3cccnc3)cc2)c1"]
["128619274","CC1CN(C)c2ccccc2CN1C(=O)Cn1cnc(C#N)n1"]
["91348086","COc1cc(C(=N)O)c(C(=N)O)cc1S(=O)(=O)C(F)(F)F"]
["137625402","CC(Sc1cnn[nH]1)C(O)=Nc1cc([N+](=O)[O-])ccc1Cl"]
["47535126","CC(CCl)C(O)=NCc1cc(Br)cs1"]
["181951950","CC(=O)OC(C)(CBr)[C@H](N=C(O)OC(C)(C)C)C(=O)N=[N+]=[N-]"]
["178280530","COC1C2C(C[C@@H]1OC)O[C@H]2O"]
["19762259","C[C@@H](Cn1cc[nH+]c1)NC(O)=NCCCN1CCN(Cc2ccccc2)CC1"]
["95093146","CCc1cc(CN)cc(N2CCOc3ccccc3C2)n1"]
["186976722","O=C(CC1CCCNC1)C1CCc2cc(O)ccc2O1"]
["79690622","CC(C)(C)c1nc2c([N+](=O)[O-])cccc2n1C(O[SiH3])(c1ccccc1)c1ccccc1"]
["134294239","CCCN=C(O)NC1CCN(C)C1c1ccccc1"]
["91454081","O=C(CBr)OC1CCC2=C(CCC2)C1"]
["173249531","c1ccc(Cc2ccc(COc3ccccc3)cc2)cc1"]
["181063651","CC(C)(C)CC(C)(CN)N=[N+]=[N-]"]
["44614298","CNC(C)(C)CNCCC(F)(F)F"]
["MCULE-8426539607","CCOc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)cc1-c1ccc(C(C)=O)cc1"]
["195631045","c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5sc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)c3)cc2)cc1"]
["78893710","Cc1cc(C)c(CN2CCc3cc(Cl)c(OC4CCCC4)cc3C2=O)c(O)n1"]
["77441223","CN(Cn1[nH]c(C=Cc2ccccc2)[nH+]c1=S)C1CCCCC1"]
["91202483","Cc1c2ccccc2nc2nc(=S)n(-c3ccccc3)c(N)c12"]
["126725363","CC1COc2ccccc2N1C(=O)CCCNC(=O)c1ccc(F)cc1"]
["176824161","CNC(=O)C(=O)C(CC1CCC1)N=C(O)[C@@H]1CC(C(C)C)CN1C(=O)C(N=C(O)NC(C)(C)C)C(C)(C)C"]
["190721400","C.CC(C)CN(C(=O)c1cnc(C(C)(C)C)[nH]c1=NCc1ccco1)[C@@H]1CNC[C@H](N=C(O)C2CCOCC2)C1"]
["MCULE-8603359849","N#Cc1ccc(-c2cc(F)c(F)cc2C(=O)N2CCN(c3ccccn3)CC2)cn1"]
["174280321","Cc1ccc(N(C)C(=O)CN(N)N)cn1"]
["96723436","O=[N+](O)c1ccc(/C=C/c2ccccc2)c([N+](=O)O)c1"]
["MCULE-3750713920","CCCCOC(=O)c1ccccc1NC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O"]
["177967752","Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(CC(F)c6ccc(Cl)cc6)C[C@@H]45)no3)c(=O)c21"]
["21004642","CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1"]
["MCULE-8010565236","Cc1cccc(-n2nc(C(=O)NC(C)C(O)=Nc3cccc(C#N)c3)cc2C)c1"]
["MCULE-2108088279","OC(CCc1ccccc1F)=NCCC1(c2ccccc2)CCCCC1"]
["177589953","C=CC(=O)N1C[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H](OCc2cccc(C(F)(F)F)c2)C1"]
["46776847","CCS(=O)(=O)Nc1ccc(C2=CC(c3ccco3)N(C(S)=Nc3ccccc3)N2)cc1"]
["131416678","OC(=NCC1(c2cccc(F)c2)CC1)Nc1cccc(N=C(O)C2CC2)c1"]
["MCULE-9081104213","COc1cc(-c2cnc(OC)c(NC(=O)c3ccc(F)cc3)c2)ccn1"]
["199719637","O=C(O)C1CC(=O)N(c2ncnc3n[nH]cc23)C1"]
["95832851","CC1CCC(CCl)(N=C(O)Cc2cccc(F)c2F)CC1"]
["174843504","C=C(C)C(=C)C(=C)Nc1ccc2c(c1C)CC(C(=N)O)Cn1c-2c(C(CCC)CCC)c2ccc(C(O)=NC3(C(=C)Nc4cc(C(=O)O)ccc4C)CCCC3)cc21.C=CC.CC"]
["32370952","CC/C=C\\C[C@H]1C(=O)CC[C@@H]1CCCCCOCC(=O)O"]
["111874850","CC1(C(=O)O)COCC1N=C(O)C(F)F"]
["MCULE-9774079204","Cc1nc(F)ccc1-c1cnccc1C(O)=Nc1onc(C)c1C"]
["MCULE-6866750006","COc1ccc(CCn2cc(OCc3ccc(OC)c(F)c3)c(=O)cc2CSc2ncccn2)cc1"]
["43879533","COc1ccc(Br)c(C(=O)OCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1"]
["11692026","Cc1cc(C)c([NH+]=C(O)CN(C)C2CC2)c(C)c1"]
["101967693","CC[C@H](N=c1[nH]c(=N)[nH]c(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1"]
["116110191","C=CCNc1cncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1"]
["22726816","COCCNCc1nccn1C.Cl.Cl"]
["70459424","N=C(NCCCC(N=C(O)C(Cc1ccc(OC(=O)c2ccccc2)cc1)N=C(O)CN=C(O)CN=C(O)C1=CC=C[CH]1)C(=O)O)N[N+](=O)[O-]"]
["157592730","OC(=N[C@H]1CCCC[C@H]1O)Nc1cc(Br)ccc1F"]
["63260975","COc1ccc(SCCCC(O)=Nc2ccccc2C(O)=Nc2ccc(C)cc2C(=O)c2ccccc2)cc1"]
["2320861","O=C([O-])[C@H]1CCCN1C(=O)Cc1csc(-c2cccc(CN3CCOCC3)c2)n1"]
["3654716","COc1ccc(/C=C2\\Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1OC"]
["173316206","CNc1ccc(CNc2ccc3oc4ccc(F)cc4c3c2)cc1"]
["108598985","CC(=O)N(O)Cc1cnc2[nH]cnc(C)c1-2"]
["77629815","[O-]c1c(Br)cc(Br)cc1C=NN=C(O)C(O)c1ccccc1"]
["70584722","CC1=NC(=O)N=C(O)C1CC(=O)N1C(=O)C2CCCCC2C2NC3CCCCC3C(=O)N21"]
["116242055","COC(=O)c1cccc(Nc2cc(C(O)=Nc3cccc(C)c3)ncn2)c1"]
["17758022","CC(=O)c1cccc(N=C(O)N[C@@H]2CCSc3ccc(F)cc32)c1"]
["125819432","COCCn1c(N=C(O)C=Cc2ccc3ccccc3n2)nc2ccccc21"]
["60234465","Nc1ccc(CS(=O)(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)cc1"]
["121076765","N#Cc1cnn(C(=O)c2ccc(Sc3ccccc3Cl)nn2)c1N"]
["MCULE-3373353969","COCCOC(=O)c1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(c3ccc(F)cc3)C2=O)cc1"]
["118809026","CCN=C(NCc1nc(C(C)(C)C)cs1)NCC1CC1"]
["27729525","CCOC(=O)c1cncc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3F)CCC2)c1"]
["75824585","CN1[C@@H]2CC[C@H]1C[C@@H](C=C(c1cccc(F)c1)c1cccc(F)c1)C2"]
["MCULE-9872119115","CSc1ncc(-c2ccc(C)cc2N=C(O)C2CC(=O)CN2C(=O)OC(C)(C)C)cn1"]
["64819318","CN1CCC(N(C)CC(N)(CO)c2ccccc2)CC1"]
["127347915","N#Cc1ncn(CC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1"]
["111769366","CCn1cc(CC(O)c2scc(C)c2Cl)cn1"]
["195754424","C1=CC2C(C=C1c1ccc3c(c1)c1ccccc1n3-c1ccc(-c3ccccc3)cc1)c1ccccc1N2c1ccc(-c2ccc3oc4ccccc4c3c2)cc1"]
["MCULE-7743177630","CC(C)N=C(O)COc1cn(CCc2ccc(F)cc2)c(CN2CCc3ccccc3C2)cc1=O"]
["MCULE-8174918565","COc1ccc(CCCN=C(O)c2ccnc(Cl)c2)cc1"]
["145690327","Cc1nc(C2CCOC2)cc(=NCc2csc(Cc3ccccc3)n2)[nH]1"]
["MCULE-7496843531","COc1ccccc1C1=C(Nc2cc(F)ccc2F)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O"]
["28164552","Cc1[nH]nc2ncc(N=c3nc4cccc(CC5CCOCC5)n4[nH]3)cc12"]
["89625962","Cn1ncc(-c2ccc(Cl)s2)c1N"]
["105581531","C[C@H](N)c1nnc([C@@H]2CCOC2)o1"]
["143204402","CC(C1CC1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1"]
["MCULE-5266064342","COc1cc(CC(O)=Nc2ncc(C)cc2-c2ccc(F)cc2C#N)cc(OC)c1"]
["MCULE-9015747909","Cc1ccc(-c2ccc(F)nc2F)c(NC(=O)c2ccc(F)cc2F)n1"]
["128278821","CCOC(CCN=C(O)NCc1nc(C(C)(C)C)cs1)C(C)C"]
["45927711","O=C(O)CCn1nccc1C(=O)N=c1[nH]n(Cc2ccccc2Cl)cc1Br"]
["197212954","CC1CCC(CC(O)C(=O)O)O1"]
["109205004","C=CCOC(=O)C1=C(C)N=C2SC=C(CC(O)=NC3CC3)N2[C@@H]1c1cccc([N+](=O)[O-])c1"]
["117131018","O=C(CN1CCOCC1)N1C[C@@H](COCC2CC2)[C@H](c2ccncc2)C1"]
["79048363","CCCCCCCC/C=C\\CCCCCCCC(O)=NCC[N+](C)(CCO)CCN=C(O)CCCCCCC/C=C\\CCCCCCCC"]
["65809668","CC(N=C(O)CCN1C(=O)C2CCCCC2C1=O)c1cccc(Br)c1"]
["92369148","C#CCCO[C@H](C)C(=O)O"]
["116670741","CN=C(NCCc1ccc(OC)cc1)NCC1(C)CCCS1"]
["195109074","CCC1=CC([C@H]2C=C[C@]3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)O[C@H](C(=O)O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)=CNC1N"]
["53335049","CCN(CC)Cc1ccc(CN=C(O)CSc2nc(C)c(Cc3ccccc3)[nH]2)cc1"]
["MCULE-8343077885","OC(Cc1cc(-c2ccoc2)cc(C(F)(F)F)c1)=Nc1c(F)cccc1C(F)(F)F"]
["74817775","CCCOCOc1cccc(C(CC2(c3noc4cc(F)ccc34)CCNCC2)=NO)c1"]
["MCULE-7163825959","COc1ncc(-c2ccc(F)cc2CC(=O)O)cc1N=C(O)C1CCCc2ccccc21"]
["MCULE-5005823845","Cc1cccc(-c2cc(F)cnc2N=C(O)Cc2c(F)cccc2F)c1"]
["144850916","Cc1cc(O)cc(C(C)CC=O)c1F"]
["125833035","CCc1nnc(-c2cccc(N=C(O)C(C)Oc3cccc(C(C)=O)c3)c2)o1"]
["104897391","O=C(O)C1(C(=O)O)NCC[C@H]1O"]
["88527755","CN=C(O)C(C)NN1CCN(C)CC1"]
["197586044","CC(C)(C)OC(=O)CCCOc1ccc(N)c2ccccc12"]
["150032704","CCC(C)n1nc(N2CCOCC2)c2cnc(N=c3ccnc(N4CCC(C)(O)CC4)[nH]3)cc21"]
["175678824","CN(C)C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1"]
["122683979","CSCCCCC(O)=Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1"]
["22047521","Cn1c(C[NH2+]Cc2ccc(N3CCCCCC3)[nH+]c2)nc2ccccc21"]
["MCULE-1135825767","Cc1n[nH]cc1-c1ccccc1C(O)=Nc1ccnnc1"]
["145540440","c1ccc(-c2ccc(-n3c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1"]
["1274635","CCn1nc(C)c(CN=C(O)c2cc(C)c(C)c(S(N)(=O)=O)c2)c1C"]
["1159159","N#Cc1ccc(C(=O)N2CCC3CC2c2cc(-c4ccccc4)ccc23)cc1"]
["198566847","O=C(O)c1ccc(NSc2cnc(-c3ccc(F)cc3)s2)c(F)c1F"]
["1616900","CCOc1ccc(C(O)=[NH+]CCCN(CC)CC)cc1Cl"]
["132790117","O=C(c1cccc2c1OCC(O)=N2)N1CCN(C2CC2)CC1"]
["MCULE-2355747794","COc1cccc(OC)c1C(O)=Nc1ccc(-c2cnn(C3CCCCO3)c2)c(F)c1F"]
["MCULE-7581607430","CCOC(=O)Cn1nc(S(C)(=O)=O)c(C(=N)O)c1Br"]
["34531177","O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(-c2ccc(N3C[C@H]4CNC[C@H]4C3)cn2)cc1"]
["159566018","COc1cccc(C(O)=NC2CCCN(C(=O)c3cccc(Cl)c3)C2)c1"]
["50415433","CCc1cc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)sc1C"]
["64680246","O=C1CN(S(=O)(=O)c2ccc(Br)c(C(=O)O)c2)CC(O)=N1"]
["MCULE-4016727521","COc1ccc(C(n2nc(C3CC3)c(C=NO)c2Cl)C2(C)CC2)cc1F"]
["81690933","[O][N+]([O-])=C1C=C=CC=C1C(=O)O.[Sb]"]
["124950447","COCCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)ccc1C"]
["76957151","COc1cccc(C=C(N=C(O)c2ccccc2)C(=O)Nc2ccc(SCC(=O)c3ccccc3)cc2)c1"]
["119682859","COc1ccc(C(=O)N2CCN(c3c(C)cccc3C(C)C)CC2)cc1"]
["186258952","C=C/C=C(\\C=C/CC(=C)CN(C(=C)C)C(=C)C1(C(C)CC)CCC(C)(C)CC1)N/C(C)=C\\c1cc[nH]c1"]
["199154264","CCCCCCCCCN(CCCCCCC)CCC(C)c1c(C(C)CCCC(C)(C)C)c(=O)c1=O"]
["62183097","CCN(CC)C1CCN(c2ccc(N)cc2C)C1"]
["183505670","[N-]=[N+]=NC1=CC(F)(F)CCC1"]
["26757353","COc1cc(CC(O)=Nc2nc3ccc(C(O)=Nc4c(C)cccc4Cl)cc3s2)cc(OC)c1"]
["145117323","Cc1[nH]c(C#N)nc1-c1ccccn1"]
["MCULE-3046237943","CCOC(=O)Oc1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCC(c3ccco3)C2)cc1"]
["47837080","CCCCCCCCOc1ccc(N)cc1CSCc1ccccc1"]
["43372768","COc1ccc(COc2c(OC)ccc(Cl)c2C[C@]2(C)C(=O)CC[C@@]3(C)[C@H](O)CC[C@H]32)cc1"]
["193059229","Cc1nc(CO)oc1-c1csc(CC(=O)Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1"]
["124587167","Cc1ccc(N2CCC(N=C(O)N3CC(C)OC(c4ccccc4)C3)CC2)nc1"]
["180199038","O=C(OC1=C(F)C(F)=C(F)C(F)C1F)Oc1c(F)c(F)c(F)c(F)c1F"]
["32428274","CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@@H]2[C@H]1COC(C)(C)O1"]
["74944110","N=Cc1c(O)nc(OCc2cccc(Cl)c2Cl)c2cc(F)ccc12"]
["MCULE-9123314699","CC(C)(C)OC(=O)N1CCN(C(C(O)=NC2CCCN(C(=O)OC(C)(C)C)C2)c2ccccc2-c2cccc(F)c2C#N)CC1"]
["112562779","O=C(O)c1cc(Br)cc(NCC2(C3CC3)CC2)c1"]
["MCULE-8308232243","CC1COCCN1C(=O)c1cccc(-c2cc(F)c(CC(=O)O)c(F)c2)c1"]
["134270600","OC(C=Cc1ccc(I)o1)=NCc1ccoc1"]
["141458845","CC1(O)CCCN(C(=O)C2CC2c2ccccc2C(F)(F)F)C1"]
["81753892","CC(N=C(O)COc1ccc(Br)cc1Br)C1NNNN1"]
["192019717","CCCCN1C(=CC(C)=CC2=[N+](CCCCCC(=O)C(C)C)c3ccc4c(C)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(CCCC)c2c1ccc1c(C)cc(S(=O)(=O)O)cc21"]
["114324200","CCCNC(CC)c1nnn(-c2ccc(C)cc2)c1CC"]
["20423073","COc1cccc([C@@H](CNC(O)=[NH+]CCc2[nH+]ccn2C)N(C)C)c1"]
["MCULE-5311668074","CCCOc1cccc(N2C(=O)C(Nc3ccc(Cl)c(C(=O)O)c3)=C(c3ccccc3[N+](=O)[O-])C2=O)c1"]
["27389297","CN1CCN(CCC2CN(CCC(=O)O)CCN2C2CN(C)C(=O)O2)CC1"]
["83711259","CC(OC(=O)CN=C1NS(=O)(=O)c2ccccc21)C(=O)N(C)C1CCCCC1"]
["90411883","Cc1ccc(N=C(O)C[NH2+]C(C)c2ccc(Cl)cc2)cc1F"]
["134563755","CC(NCCc1cn2ccccc2n1)c1cnc2ccsc2c1"]
["176257815","O=C(C=COc1nc(N2C[C@H]3CC[C@@H](C2)N3)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1)Nc1ccc(S(=O)(=O)n2cnc(C3CC3)n2)cc1"]
["159057718","CCOC(=O)Cc1cc(C(F)(F)F)cc(F)c1N"]
["109323160","C[C@@H]1CCC[C@@H](c2nc(Cl)c3c(n2)CCCCC3)C1"]
["176225505","CC(C)(C)OC(=O)N1CCC(N2Cc3c(Br)c4c(Cl)ncnc4n3CC2=O)C1"]
["179535710","N=C(O)CCN=C(O)NCCN1C(=O)C=CC1=O"]
["MCULE-3889125307","COc1ccc(C)cc1S(=O)(=O)N=C(S)N1CCCNCC1"]
["153559947","C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1"]
["MCULE-6019439492","Cc1c(CCC(=O)Nc2ccc(C#N)cc2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12"]
["85470104","COC1CCCC1NC1CCCSC1C"]
["184586127","COc1ccc(/C(=C/C(=O)O)c2ccccc2)cc1O"]
["189842338","CN1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)CCc2ccc(CN3CCn4ncnc4C3)cc21"]
["MCULE-9742378778","Cc1ccccc1CC(=O)Nc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1C#N"]
["168135841","Cc1cc(N=C(NO)C(=NO)c2ccccc2)n(C(C)(C)C)n1"]
["56070854","CCOC(=O)[C@@H](C)Oc1c(Br)cc(CNC2CCCC2)cc1OC"]
["77882210","COc1ccc(C2NNC3CCC(N=C(O)C4(OC)CCN(CC(=O)N5CC=C(c6ccc(-c7ncn(C)n7)cc6)CC5)C4)CC32)cn1"]
["30282692","Cc1nnc2c(N)c(-c3ccccc3F)c3cc(Br)ccc3n12"]
["59167558","CCC(C)(C)C1CCC(C#N)C(Sc2nncs2)C1"]
["61761057","CCn1ncc(-c2cc(C(O)=Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccccc5)c34)c3ccccc3n2)c1C"]
["174448815","CC(OC(=O)CCC(=O)CN)c1cccc(F)c1.Cl"]
["104067452","COc1ccc([C@H](O)[C@H]2CC(O)=NN=C2C)cc1OC"]
["MCULE-8143802671","CCN(CC)C(=O)c1ccc(-c2ccc(SCC(O)=NCC3CCCO3)cc2)cc1"]
["56821602","NS(=O)(=O)c1cccc(NS(=O)(=O)N2CCOCC2)c1"]
["75314146","O=[SH](=O)c1cccc2c(Br)cccc12"]
["83697772","CC(OC(=O)Cc1coc2cc(O)ccc12)C(O)=Nc1cccc(C(F)(F)F)c1"]
["118688257","CN=C(NCc1ccsc1)NCc1ccc(C)cc1C"]
["133288800","CCC1(CNC(O)=NCCc2nc(C)c(C)s2)CC1"]
["181603686","[N-]=[N+]=Nc1c(N=Nc2ccc(-c3cccnc3)cc2)ccc(Br)c1Br"]
["MCULE-9863121968","Cc1ncc(C(=O)N=c2cc[nH]cc2-c2sccc2C)s1"]
["150977000","O=C(O)[C@@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C1"]
["177363582","Cc1ccc(-n2nc(COC(=O)COc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c3)cc2-c2ccc(Br)cc2)cc1"]
["184745783","O=C(O)N/C=C/c1cccc(F)c1"]
["193393837","C1=CC(CN2CCNCCN(Cc3cc[nH]n3)CC2)=NC1"]
["MCULE-2869230516","CCCCN(CCC)c1nc(N=C(O)c2ccc3nc(C)c(C)nc3c2)n(-c2ccc(Cl)cc2)n1"]
["88350520","Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1F"]
["49857496","CN1CCN(c2nsnc2Cl)C(c2ccccc2)C1"]
["MCULE-9496451139","COc1nc(C)nc(N=C(O)c2cc(-c3cc(F)c(F)cc3F)cc([N+](=O)[O-])c2C)n1"]
["5451717","CCSc1nnc(SCC(O)=NC(O)=NC(C)(C)C)s1"]
["103225907","C[C@H](OC(=O)c1c(N=C(O)C2CCCCC2)sc2c1CCC2)c1nnc(-c2cccs2)o1"]
["152836169","Cc1ccc(NC(=O)CSc2nnc([C@H](C)N=C(O)c3ccccc3Cl)n2C)cc1C"]
["MCULE-5005715088","COC(=O)c1ccc(N(CCCN(C)C)S(=O)(=O)c2ccc(Br)cc2)cc1"]
["178708735","C=C(C[C@H](C)CF)C(F)(F)F"]
["78063376","CCC(C)(C)CC(C)(C(O)=NCCC[N+](C)(C)CCCCS(=O)(=O)O)C(C)(C)C"]
["173570199","COc1nc(Cc2ccc(B(O)O)cc2)cnc1C#N"]
["68240787","Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)CN1CCC(C(O)=NC(C)C(O)=Nc2c(C)cccc2C(O)=Nc2cccc(F)c2)CC1"]
["133414952","CCC1(C)CC1C(=O)N1CCCCC1c1nc(-c2ccccc2)no1"]
["91353003","CC(N=C(O)C(CC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C"]
["147608514","CCC(CO)CS(=O)(=O)c1ccccc1"]
["27000055","COC(=O)C(F)(F)C(F)(F)C(=O)C(F)=C(F)F"]
["172500404","N=C(CCBr)N(N)c1cccc(O)c1C=NN"]
["176231972","CCCC(CCCc1ccc(CCC2CCC(C)CC2)c(F)c1C)C1CCC(NC)CC1"]
["107850322","Oc1cccc2c1[C@H](Cc1ccccc1F)NCC2"]
["MCULE-9343739854","C=CCN(CC=C)c1cc(N2CC(C)Cc3c(C)ccc(C)c32)nc(CCC)n1"]
["2127720","C=CCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)C1CC1"]
["104673747","C[C@@H]1C[C@@H]1C(O)=Nc1cccc([C@@H](C)N)c1"]
["MCULE-8972629729","CC(=O)c1cc(F)cnc1-c1ccccc1OC(F)(F)F"]
["105395323","COc1ccc(-c2no[nH]c2=NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c(C)c1"]
["130342141","CCCC(=O)N1CCCC(C(O)=Nc2ccc3nc(-c4ccccn4)[nH]c3c2)C1"]
["MCULE-3180881582","CCOc1ccc(CCNC(=O)c2cc3c(N4CCC(N(C)C)CC4)ncnc3n2CC)cc1OCC"]
["58828993","COC1=CC(Br)=C/C(=C\\Nc2ccc(NC(=N)S)cc2)C1=O"]
["129632497","CC(C1CC1)n1cc(NCc2cccnc2)cn1"]
["58226296","CCCCCCCCN=C(O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)cc2)c1=N"]
["MCULE-1606253799","CCOc1ccc(N=C(O)Cc2cc(F)cc(-c3cnc4ccccc4c3)c2)cn1"]
["MCULE-1505713749","CC(C)(C)c1ccc(C=CC(=O)N2CC(O)CC2C(O)=NC23CC4CC(CC(C4)C2)C3)cc1"]
["17367758","COc1ccc(OC)c(-c2n[nH]c(=NC(=O)c3ccc(-c4ccccc4)cc3)o2)c1"]
["21909172","Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1"]
["196065217","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)OC(COC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)COC(OCC[N+](C)(C)C)C(=O)[O-]"]
["159587117","CC(C)(C)c1ccc(S(=O)(=O)N2CCCC(N=C(O)/C=C/c3ccc(Cl)cc3)C2)cc1"]
["31277412","CNC(=O)c1cc(Oc2ccc3oc(=Nc4ccc(Cl)c(OC(C)C5CCCN5)c4)[nH]c3c2)ccn1"]
["109233349","CCOc1ccccc1N=C1S[C@H](C(O)=Nc2c(F)c(F)c(F)c(F)c2F)C(N)=C1C(O)=Nc1cccc(Cl)c1"]
["48404414","CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1"]
["2765770","O=[N+]([O-])c1ccc(Cl)c(N=C(O)Cc2c(F)cccc2Cl)c1"]
["181896742","[N-]=[N+]=NC(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CNC[C@H]1c1ccccc1"]
["MCULE-3559770140","COCCOc1ccc(-c2cc(C)cc(N=C(O)C(OC)c3ccccc3)c2)cc1"]
["24876187","COc1ccc(N=C(O)C2(C(C)C)CCCCCC2)cc1OC"]
["43775881","CCSc1nc(-c2ccc(OC)c(OC(=O)N(C)C)c2)cc2nccn12"]
["70102708","NCCS(=O)(=O)CC=CCl"]
["136839020","N=C(O)CCC1CCCN(C(=O)C2CCCN2Cc2ccc(F)cc2)C1"]
["2264523","N=C(O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1"]
["65916392","COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.Cl.O=P(O)(O)O"]
["87435312","Cc1cccc(C)c1CC1(CNC2CC2)CCOC1"]
["MCULE-1165935527","CCOc1cc(C2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccc(OC)c2)ccc1O"]
["155364219","Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)c1F"]
["109490588","CCOC(=O)C1=C(COC(=O)[C@@H](N=C(C)O)C2CCCC2)N=C(O)N[C@@H]1c1ccc(Cl)cc1"]
["3329007","CCOCc1ccccc1NC(O)=NCc1ccc(C(=O)NCC(=N)O)cc1"]
["189282387","CCN(CCC(O)=NC)C(O)=NC(=N)N(C=O)CC1C=C(F)C(F)=C(F)C1"]
["7202785","CN(CCN(C)/N=C/c1ccc(Br)cc1)/N=C/c1ccc(Br)cc1"]
["MCULE-6725929974","CCCCc1cc(C(=O)N2CCCCC2CCO)nn1-c1cccc(Cl)c1"]
["MCULE-3413930793","Cc1ccc(-c2cccc(C(F)(F)F)c2)c(N=C(O)CC2CCCCC2)c1"]
["93529844","Cc1c(Br)cccc1C(Cc1cc(F)ccc1F)NN"]
["173983669","CC(C)(C)S(=O)N=Cc1cc(OC(F)F)cc(OC(F)F)c1"]
["MCULE-6590623290","COC(=O)c1noc2cc(-c3ccc(OC)cc3C)ccc12"]
["MCULE-4808331010","OC(=Nc1nccnn1)c1ccc(C(F)(F)F)cc1-c1cncnc1"]
["78126121","CCCC1CCC(c2ccc(CCC3CC(C)C3)cc2)CC1"]
["151469889","CS(=O)(=O)c1c[nH]nc1[C@@H]1COCCN1C(=O)CC1CC1"]
["180744801","CC1(C)c2ccccc2-c2cc(-c3cccc4oc5ccccc5c34)c(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21"]
["97993454","C=CCc1cc(Oc2ccc(O[Si](C)(C)C)c(CC=C)c2)ccc1O[Si](C)(C)C"]
["154339558","CCn1c2c(s/c1=N\\C(=O)c1ccco1)CCc1ccccc1-2"]
["130502970","COCCOc1ccc(C(=O)Nc2cccc(-c3nc(C)co3)c2)cc1"]
["887526","CCOC(=O)c1cc(C#N)c(SC(C)C(O)=NC2CCCCC2)nc1C"]
["154069540","N[C@H](COc1cncc(-c2ccc3c(c2)[C@@H](N=O)C(O)=N3)c1)Cc1c[nH]c2ccccc12"]
["MCULE-8465036924","COc1cc(-c2cnccc2C(=O)N2CCCc3ccccc32)ccn1"]
["91019143","ClC[Si-]=CC(=C1C=CC(Cl)=C[CH+]1)c1ccc(Cl)cc1"]
["73521893","C[C@H](C=O)N(N)c1cnc(C(N)=O)c(Nc2cc(C3CC3)ns2)n1"]
["138167058","OC(Cc1cccc(O)c1)=NCC1CCC2(CC1)OCCO2"]
["122708280","COCCOC1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1"]
["198087974","CS[C@]1(O)CC[C@H]1O"]
["94542993","COc1cc(C(O)c2cncc(C)c2)ccc1F"]
["116476167","CCN=C(NCc1cccc(OC)n1)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1.I"]
["MCULE-9271750603","COc1cc(F)ccc1C(=O)N(C)c1ncc(-c2ccc(C)o2)cn1"]
["69416032","CCN(CC)C(=O)CCCC(O)=NC1CCCn2nc(C(C)C)nc21"]
["4125572","CCN(CC)C(=O)CCN=C(O)c1cnn(-c2ccccc2F)c1"]
["170746226","CC.N=Nn1c(=N)c2cc(O)ccc2c2ccc(O)cc21"]
["166446717","O=C(c1cc2ccccc2o1)N1CCN(c2nccs2)C(=O)C1"]
["54864761","Cc1c(C)c(C)c(S(=O)(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c(C)c1C"]
["MCULE-4234457127","CN(C)C(=O)CCC(O)=Nc1cc(-c2ccc(CC(=O)O)cc2)cn2ccnc12"]
["142181842","CC1(C)CCCCC1N=C(O)N1CCCN(c2nccs2)CC1"]
["14144302","Cc1nnc([C@@H](N=C(O)C2CCCC2)c2ccccc2)n1C"]
["53488210","CCc1ccc(OCC(O)=N/N=C\\c2ccc(C)cc2)cc1"]
["173505704","CC(=O)C(NNc1cc(C(=O)O)ccc1C(=O)O)C(=O)Nc1ccc(NC(=O)C(N=Nc2cc(C(=O)O)ccc2C(=O)O)=C(C)O)cc1"]
["113655187","OC(Cc1ccncc1)c1ccc(Br)c(Cl)c1F"]
["22693001","CCc1ccccc1C(=O)c1cccc(Cl)c1"]
["MCULE-6019817918","CCCCOc1ccc(C2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1OC"]
["159644798","c1ccc2c(c1)ccc1c2ccc2ccoc21.c1ccc2sccc2c1"]
["195136305","c1ccc(-c2ccc3oc4nc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)nc(-c5ccccc5)c4c3c2)cc1"]
["182109400","CC1Cc2c(cccc2N2CC[C@H](N=[N+]=[N-])C2)O1"]
["177275128","C=C(Cl)/C=C\\C=C(/F)[C@H]1[C@@H]2C(=O)N(c3ccc(C(=O)O)c(C)c3)C[C@@H]2N(CC2CC2)[C@]12Cc1ccc(Cl)cc1N=C2O"]
["192643225","O=[N+]([O-])c1cccc(C(O)=Nc2ccccc2)c1O.OC(=Nc1ccccc1)c1ccc(Cl)cc1O"]
["14524931","CCCNS(=O)(=O)c1ccc(OCC(O)=Nc2ccccc2Cl)cc1"]
["102509050","CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(O)=NC1CCCC1)S(=O)(=O)c1ccc(SC)cc1"]
["MCULE-6731053927","O=C(OCC1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccc(Cl)cc1F"]
["51730961","CCCOc1ccc(N=C(O)CN=C(O)Cc2ccccc2)cc1OCCC"]
["174490395","N.c1ccc(OOc2ccccc2)cc1"]
["MCULE-9935853148","COc1cc(C)c(-c2cc(C)c(C(=O)N3CCN(Cc4cccc(C)c4)CC3)c(C)c2)c(C)c1"]
["159424109","C[C@H](N)c1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1-c1ccc(S(C)(=O)=O)cc1"]
["32113661","COC(=O)C(C=O)CCCCl"]
["MCULE-5391164696","CCCN=C(O)C(Cc1ccccc1)N=C(O)Cc1ccc(OC)c(OC)c1"]
["173532283","NC(=O)c1ccc(-c2cc3cc(OCCN4CCCCC4)ccc3[nH]2)c(O)n1"]
["48519102","C[C@H]1Cc2cc(C(O)=NN=C(O)c3ccc4c(c3)OCO4)ccc2N1S(C)(=O)=O"]
["89505627","NC1CC(CC(=O)O)CN(Cc2ccc(Cl)cc2)C1"]
["106251579","CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1nnc2n1CCNCC2"]
["5438910","COc1ccc2cc(C)c3nnc(SCC(O)=Nc4nc(C)cs4)n3c2c1"]
["57067939","C[NH+]1[CH-]c2cccc3cccc(c23)C1"]
["18937389","CCn1c(S)nnc1CN=C(O)[C@H]1CC(=O)N(C2CCCCCC2)C1"]
["146990160","COC(CN)CC(O)=NCCCCN1CCC(C)CC1.Cl.Cl"]
["MCULE-5643476501","COc1cc(C)c(-c2cc(OC)c(OC)cc2CC(O)=Nc2cnccc2C)c(C)c1"]
["104057800","CCOc1ccccc1/C=N\\N=C(O)[C@H](C)Oc1ccccc1"]
["46785276","CCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCC3CCC(OC(=O)[C@@H](F)CCCC)CC3)cc2)c(F)c1F"]
["162740993","CC1NCCCC1C(=O)c1cnccn1"]
["83667986","CCC(C)N=C(O)N=C(O)CSc1ncnc2sc3c(c12)CCC(C)C3"]
["172799101","CCCCCCCCCCCCCCCCCC(O)=Nc1ccc(OC(C[N+](C)(C)C)OP(=O)([O-])O)c(C(C)=O)c1"]
["16032128","CC1=c2c(C)nn([C@H]3CCOC(C)(C)C3)c2=[NH+]C(=O)C1"]
["165168636","N#Cc1ccccc1Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2"]
["138639690","Cc1cccc(C)c1CCN=C(O)c1cc2ccccc2oc1=O"]
["90654635","CCOC(=O)C1=C(c2ccccc2)NN(c2ccccc2)C1=CN=O"]
["30659043","Cl.Cn1c(N2CCN(CCOc3ccc(Cl)cc3)CC2)cc(=O)n(C)c1=O"]
["142714450","CN(Cc1ccc(F)cc1)C(=O)c1ccc(CN=C(O)OC(C)(C)C)o1"]
["MCULE-7386297303","Cc1cc(-c2ccccc2[N+](=O)[O-])ccc1CC(O)=NC1CCS(=O)(=O)CC1"]
["139947172","Cc1cc(C)cc(-n2nc(C(=O)NC3CC3C)cc2C)c1"]
["63630119","COc1cc2nc(CCn3c(=O)n4n(c3=O)[C@@H]3C[C@H]5C(=O)N(Nc6ccc(C)cc6)C(=O)[C@@]5(c5ccccc5)[C@@H](c5c(O)ccc6ccccc56)C3=CC4)c(=O)n(C)c2cc1OC"]
["160207526","Cc1cc(=NC(O)=NC2CC3OCCCC23)[nH]n1-c1ccccc1Cl"]
["102959887","C=CCN([C@@H](C)C(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-]"]
["14466698","Fc1ccc(-c2nnc([S-])n2/N=C/C=C/c2ccco2)cc1"]
["18599501","CNS(=O)(=O)c1cc(C(O)=NCCC2=CCCCC2)cc(C)c1C"]
["MCULE-1030678975","COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(O)=NC(C)C)C3c2ccccc2OC(C)C)cc1"]
["57021278","COCCC(C)N1CCCNC(C)C1"]
["11128212","O=C(Nc1ccccc1F)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1"]
["148844760","N#Cc1ccc(OC2CN(C(=O)c3cccc(F)c3)C2)nc1"]
["160284129","COCC1N=C(O)N(CC2CC3CCC2C3)C1=O"]
["MCULE-5753677631","O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(N=C(O)c3cccc(Br)c3)nc2)c1"]
["66897144","C=CCc1cc(C=C2C(=O)N(c3ccccc3)N=C2O)cc(OC)c1Oc1ccc([N+](=O)[O-])cn1"]
["150745232","C[C@H](OC(C)(C)C)[C@H](O)C(=O)O"]
["26696547","Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)c(C)c(C)c1OCC=C(Cl)Cl"]
["188177999","O=C(OCc1ccccc1)C1OC12CCCC2"]
["MCULE-3993074706","COc1cccc(-c2ccc(NC(=O)c3cc(C)on3)nc2C)c1F"]
["133704430","CCN=C(O)CN1CCCN(C(=O)CC(C)C(=O)c2ccc(Cl)cc2)CC1"]
["54505497","CCCNC(c1cc2cc(Br)cc(Cl)c2o1)C(C)(C)C"]
["28000937","N=C(O)c1cc2c(cc1N=C(O)COCc1ccccc1)CCC2=O"]
["109800067","O=C(COc1ccc([C@H]2c3sc(O)nc3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1)N1CCOCC1"]
["MCULE-3088252798","COc1ccc(-c2c(C(F)(F)F)nn(C3CCSCC3)c2Cl)cc1"]
["87933947","CCSCc1nc(C)c(C(=N)S)s1"]
["27353005","COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(C(N)=O)cc4)nn23)cc1"]
["109575864","COc1cc(O)cc2c1CCN[C@@H]2c1ccc(C(=O)O)cc1"]
["44596663","Cc1cccc(C(C)(C)c2cccc(C)n2)n1"]
["1043914","COc1ccc(Cn2ncc(NC(=O)c3ccc(NC(=O)c4cc5ccccc5o4)cc3C)c2N)cc1"]
["19645781","CCOC(=O)c1cccc(N=C(O)CSc2nncc([O-])n2)c1"]
["49418261","Cc1ccc(N=C(O)c2cc(Cl)c3c(c2)OCCO3)c(OCC2CCCO2)c1"]
["14106705","OC(=NC1CCCCCC1)c1cc(F)cc(F)c1"]
["94928681","COc1cc(Br)ccc1-c1nc(C2(N)CCCCC2)no1"]
["185948764","OC1=N[C@@]2(CCc3cc(OCC(F)(F)F)cc(F)c32)Cc2nn(CCC3CC3)c(-c3nn[nH]n3)c21"]
["128704313","OC(=NCCc1ccccc1O)c1cccc(-c2noc(C3CC3)n2)c1"]
["52984185","CCCCC(CC)(CO)Cc1cc(Br)cs1"]
["63781531","CC(C(O)=Nc1cccc(N=C(O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1)n1cccn1"]
["107931457","Cc1cc(CN=C(O)N[C@@H](C)CCCO)c(C)s1"]
["170570468","C=CC(=O)N(CC(=O)OCC)N=C(O)[C@H](N=C(O)[C@@H](N=C(O)c1ccc(N)c(Cl)c1)C(C)(C)C)c1cccc(C(F)(F)F)c1"]
["11692384","CC(C)CN=C(O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1=O"]
["128001820","Cc1co[nH]c1=NC(=O)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1"]
["113296105","Cc1nc(CNc2cccc(OC(C)C)c2[N+](=O)[O-])no1"]
["MCULE-4499752006","Cc1cc(N)cnc1CCCBr"]
["139116895","CCc1cnc(CN(C)C(=O)c2ccnc(-n3cncn3)c2)s1"]
["197078707","CC1CNC(C(O)=NC2CCCC([C@H](C)SC3NNCN3C)C2)CC1C1CC1"]
["141802074","O=C1c2ccccc2OCC1N=C(O)CN1CCN(c2ccccn2)CC1"]
["158955544","Cc1nc(S(=O)(=O)N=C(O)C2(C)CCC2)cn1C"]
["84520223","Cc1ccccc1C1=CCC(=O)CC1"]
["158888695","C[C@H]1CN(C)CCN1c1ncc(S(N)(=O)=O)s1"]
["66710593","Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2Br)cc1"]
["32686547","COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]2CCCC/C=C/CCCOc3c(O)cccc3C(O)=N2)cc1"]
["156897471","C[C@@H](NCc1ccc2c(c1)CCC2)c1nc(C2CCCCC2)no1"]
["104419290","C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1"]
["76594511","COc1cc(OC)c(OC)cc1C=C(N=C(O)c1ccccc1)C(=O)Nc1cccc(SCC(=O)Nc2ccc(N=C(C)O)cc2)c1"]
["121806910","Cc1cccc(-c2cncc(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)c2)c1"]
["48869297","CN(Cc1cccc(Br)c1)C(C)(C)CN"]
["189136233","CC(C)(C)C[C@@H]1NC[C@H](c2cccc(Cl)c2Cl)[C@]12CNc1cc(Cl)ccc12"]
["127497726","Cc1ccc(N=C(O)COc2c(C)nn(C)c2C)nc1"]
["188824607","CC1CCC(c2ccc3[nH][nH]c(=N)c3c2)=NC1"]
["111369728","Cn1nccc1CCC(O)C1(c2ccccc2)CC1"]
["108322300","O=C(c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12)N1CCN(c2ccncc2)CC1"]
["105542753","Cc1ccc(C(C)(C)C)cc1[C@@H](O)CCCC(=O)N(C)C"]
["MCULE-9162213937","COc1cc(-c2c(N=C(O)Cc3c(C)cc(C)cc3C)ccc(F)c2F)ccc1C"]
["MCULE-8818583007","COc1nccc(=NC(=O)c2cncc(-c3ccc(OC(C)C)cc3)c2)[nH]1"]
["107067231","CNCCCS(=O)(=O)N(C)c1c(C)cccc1C"]
["114819667","CN=C(O)CNc1ccc(C)cc1C#N"]
["MCULE-5530291889","CCOC(=O)N1CCC(N(C)C(=O)c2c(F)cccc2-c2ccc(C(=O)N(C)OC)cc2)CC1"]
["MCULE-9121991885","N#Cc1cccc(CC(N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)OCc2cc(F)ccc2Cl)c1"]
["169985116","N#Cc1ccc(NC2CN(Cc3cnc4cc(C5CC5)c(O)nc4c3)C2)cn1"]
["26879851","CCCCC(CC)COc1ccc(C(=O)c2ccccc2)c(O)c1"]
["MCULE-6646039145","COc1cncc(-c2ccc3c(c2)CCN3C(=O)Cn2cc(C)cn2)c1"]
["32908715","CC(C)(C)C1CCc2nc3cc(C(N)=O)[nH]c3cc2C1"]
["94009096","CSCCC(C)NC(C)c1ccc(C)c(C)c1"]
["188025801","CCCCOC(CCC)=C(OCCCC)OCOC"]
["128888692","COc1cc(N=C(O)COc2ccccc2OCC(F)(F)F)ccc1N"]
["MCULE-9345254419","Cc1cc(Cl)ccc1NCc1cc(=O)c(OCCCO)cn1CCCCN1CCCC1"]
["44613089","C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1"]
["32138574","COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)CC12"]
["89861723","Cc1cc(O)ccc1NC(=O)CN=C(O)COc1ccccc1"]
["70612392","C=CCN=C(O)OCC1OC1C=C"]
["179391637","CCC(C)(C)C1CC2CN(C)CC2C1"]
["65938222","CSc1ccc(NC(=O)COC(=O)c2ccccc2S(C)(=O)=O)cc1"]
["MCULE-5911916060","Cc1ccc(-c2ccc3c(c2)CCN(C(=O)C(C)N2C(=O)c4ccccc4C2=O)C3)cc1C"]
["173269912","COc1cccc2oc(C(=O)NN=CO)cc12"]
["20861281","COCCCN1C(=O)C(=O)C(=C(O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1"]
["MCULE-7761648457","O=C1C(NCc2ccc(Cl)cc2)=C(c2cccs2)C(=O)N1CCN1CCOCC1"]
["32730249","C/C=C1\\CC(CO)N(C(=O)c2ccc(O)c(OC)c2)C1"]
["MCULE-6181225609","COc1cc(F)cc(-c2cc(F)ccc2CC(=O)N=c2ccc(OC)n[nH]2)c1"]
["133347795","COc1cccc(CN=C(O)CSCC(C)c2ccccc2)c1"]
["155857696","C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Br)c2O)N1"]
["11887777","Cc1ccc(N=C(O)c2cc(-c3ccccc3)on2)cc1N1CCCS1(=O)=O"]
["123250786","N=C(O)c1cnc(Nc2ncnc3c2cnn3-c2ccncc2)s1"]
["181158120","Cc1nn2ccccc2c1-c1nc([O-])c(C(=O)O)s1"]
["87135992","O=C(O)CN(CC(=O)O)C(=O)C1C2CCCC21"]
["124722520","COCc1ccccc1CN=C(O)CS(=O)C(C)c1ccccc1"]
["73558981","CN(C)S(=O)(=O)c1c(Cl)ccc(NC(S)=Nc2ccccc2Cl)c1O"]
["146178580","NCC1CCCN1C(=O)COc1ccc2ccc(=O)oc2c1"]
["141492671","Cc1nc(-c2ccccc2)sc1C(C)N=C(O)N1CCCC(CO)C1"]
["MCULE-1809974294","CN1CCN(Cc2cccc(-c3cc(C(=O)N4CCN(C5CCCCC5)CC4)cc(F)c3F)c2)CC1"]
["156389432","CCC[C@H](N=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c(CCCCC(=O)O)nc2c1)/C(C)=C(O)/C=C\\CF"]
["171689953","CCn1cc2c(n1)C(COCC1CC1)CN(Cc1ccccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]
["14478472","O=S(=O)(c1ccccc1[NH2+]CCCN1CCC(O)CC1)C(F)(F)F"]
["192204387","O=C(CCc1nccs1)N1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1"]
["75064486","C1CC1.[N-]=[N+]=NC(=O)N=[N+]=[N-]"]
["3964299","Cc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2N)cc1"]
["160417164","CC(C)Nc1ccc(C(=O)N2CC(C)OC3(CCCOC3)C2)cn1"]
["56620023","CCC(C(O)=Nc1ccccc1N1CCCC1)c1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F"]
["24003531","Cc1nc2cc(C(=O)N3C[C@H]4CC[C@]5(N=C(O)c6ccccc6N5)[C@H]4C3)ccc2n1C"]
["131301983","OC(=NCCN1CCN(c2ncccn2)CC1)N=c1cccn[nH]1"]
["56151958","COc1ccc2c(C)cc3nnc(SC(C)C(O)=Nc4ccccc4SC)n3c2c1"]
["168609942","CC(C)(C)c1nc(C(=O)O)n(C2CC2)c1O"]
["176609366","CC.CC[O+]=c1cc(N2CCCC2)ccn1Cc1ccccc1"]
["182282397","CCCCc1cc(OCCC)ccc1N=[N+]=[N-]"]
["8002195","CCCCC(=O)Oc1cc([N+](=O)[O-])ccc1OC"]
["175121502","CC(C)(C#[NH+])S(=O)c1ccc(Cl)cc1"]
["14471149","CN1CCCc2cc([C@@H](C[NH+]=C(O)c3ccc4ccccc4c3)N(C)C)ccc21"]
["196514382","C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2c(C([2H])([2H])[2H])c(-c4ccc(-c5ccccc5)cc4)ccc23)cc1C([2H])([2H])C(C)(C)C.[Ir]"]
["MCULE-2290290862","CCN(CCOC)C(=O)CCc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)ccc1F"]
["1684712","CCCOc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC"]
["MCULE-9340801683","CCCCCOc1ccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SCc2ccccc2)cc1"]
["CSSS15275484613","COc1cccc2[nH]c(CNC3(C(=O)O)CCC(F)(F)CC3)cc12.O=C(O)C(F)(F)F"]
["101770531","CC(C)(C)OC(O)=NC1c2ccccc2CC1OC(=O)C1CCOC1"]
["24360824","Cc1ccc(N=C(O)C2C3C=CC4(O3)C2C(=O)N(Cc2ccc(Cl)cc2)C4C(O)=NC2CCCC(C)C2C)cc1Cl"]
["174078693","OC[C@@H]1CCCN1CCCOc1cccc(Nc2nccc(-c3cnc(C4CCCC(c5ccccc5)C4)[nH]3)n2)c1"]
["143465964","CCOC(=O)CC(C)N(C)C(=O)c1ccccc1"]
["125091169","COCCN(Cc1ccccc1)C(=O)CN=C(O)c1cc(F)cc(F)c1"]
["56503514","CCCS(=O)(=O)NC(C)(C)C"]
["MCULE-5030268345","CC(C)OC(=O)c1ccc([N+](=O)[O-])c(OCCN2CCOCC2)c1"]
["151943207","CC1(C)C[C@H](C(O)=NCc2ccno2)CCO1"]
["MCULE-6728314361","Cc1cc(C(O)=Nc2c(C)noc2C)c(F)cc1-c1ccc(C(F)(F)F)nc1"]
["179293966","CCC1[CH-]CCC1.[Cs+]"]
["MCULE-5280161979","COc1cc(C2C(C(O)=NCc3cc(C)ccc3C)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1O"]
["27078192","CCCCCCc1c[nH]c(=NCCSCc2ccc(CN(C)C)o2)nc1O"]
["163135652","N#CC1Cc2cc(O)ccc2N1"]
["48532050","COCCCN1C(=O)C2C(C(C)C)NC3(C(O)=Nc4ccc(Cl)cc43)C2C1=O"]
["MCULE-9996022851","Fc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccc(OCc3ccccc3)c2)c1"]
["MCULE-4778114026","CC(C)COC(=O)COc1cn(CC(C)C)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O"]
["115888051","COc1cccc(CCN=C(O)CNc2ccccc2OC(C)C)c1"]
["176682170","CC(=O)Oc1ccccc1C(=O)N(N)C(C)(C)C"]
["65082563","OC(Cc1csc(N=C(O)c2ccccc2F)n1)=NCC1(c2ccc3c(c2)OCO3)CCOCC1"]
["114772629","CC(N)c1ccc(Br)cc1OCc1ccc(Cl)c(F)c1"]
["MCULE-7537809746","CC(C)OCCN1C(=O)C(Nc2ccc3ccccc3c2)=C(c2ccc(OC(C)C)cc2)C1=O"]
["58301683","COc1ccc(NC(=O)C(c2cccc(C)c2C)N(C(=O)CN=C(O)OC(C)(C)C)C(C)(C)C)cc1"]
["183823693","[N-]=N[N+]#SCOCCC(F)(F)F"]
["74733197","Cc1nc(Sc2ccc(C(=O)OC(C)(C)C)cc2)ccc1C=O"]
["170363492","C=C/C=C(n1c(C=C)c(/C=C\\C)c2cccc(C)c21)\\[N+](C)=C/C"]
["MCULE-1473814515","Cc1ccc2c(C)c(C(=O)Nc3ccccc3Br)c(=O)oc2c1"]
["9356542","CC[C@@H](C)N=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)cc1)N2"]
["MCULE-4020292068","CCCOc1ccc(-c2ccc(C)cc2N=C(O)c2c(C)ccc[n+]2[O-])cc1"]
["84646727","CC1(C)CCC(O)(C2(C#N)CCCC2)CC1"]
["100905666","O=C(N=c1ccn([C@H]2C[C@H](OP3(=S)OCC4(CCCCC4)S3)[C@@H](CO)O2)c(O)n1)c1ccccc1"]
["33558580","COC(=O)/C(C)=C/[C@@H](NS(C)(=O)=O)C(C)(C)C"]
["104065824","Cc1ccc(C(=O)/C=C\\c2ccccc2O)c(C)c1"]
["192741780","N=c1nc2c3ccc(N)cc3nc(Cc3ccc4c(c3)OCO4)n2[nH]1.O=S=O"]
["140231735","OC(=NCc1ccn(C2CCCC2)n1)Nc1cccc2cnccc12"]
["MCULE-3120503893","COc1nc(-c2ccnc(F)c2F)cnc1N=C(O)c1cnc(C)cn1"]
["67285434","C=CCCCNCc1cc(F)ccc1F"]
["8219079","O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1"]
["190459863","Cc1cccnc1S(N)(=O)=O.Cl.Cl"]
["MCULE-9069955996","CCOc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(C(F)(F)F)cc1-c1ccc2cc(OC)ccc2c1"]
["98541193","O=C(O)C1(C(O)=NCc2ccccc2)C=CCC1"]
["191299293","Cc1cc(OCC(=O)CCc2ccc3c(c2)CCO3)nc2c1c(C1CC1)nn2C"]
["9729523","Cn1cc(CCN=C(O)N2CCN(C(=O)c3ccsc3)CC2)cn1"]
["14943798","CCN(C(=O)C(=O)NC[C@@H](O)COc1ccc(F)cc1)c1cccc(F)c1"]
["200497906","CNCC=Cc1cc(C)c(Br)s1"]
["180984172","[N-]=[N+]=Nc1ccc(-c2ccc(Cl)c(Cl)c2)o1"]
["148041669","CC1(c2nc(Cc3cccnc3)no2)CCCCN1.Cl"]
["134622401","Cn1cc(OC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cn1"]
["79458247","CC(C)(C#N)N[N]"]
["53443612","CNCc1c[nH]nc1S(=O)(=O)N1CCSCC1C"]
["144467907","CN(C)C(=O)c1cc(N=C(O)C(C)(C)c2ccc(F)cc2)ccn1"]
["MCULE-8515634986","N#Cc1ccc(COc2cn(CC3CCCO3)c(CNc3ccc(N4CCCC4)cc3)cc2=O)cc1"]
["199092630","Fc1cccc(Cl)c1-c1ncnc(Cl)c1F"]
["25022001","CCCCNc1nc(SCCC)nc2c1nnn2C1CC(CCc2nn[nH]n2)C(O)C1O"]
["132934669","OC(=Nc1cccc(OCc2cccnc2)c1)c1ccc(-n2cncn2)nc1"]
["18664277","O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccsc1"]
["181981544","CCC[N+]1(CC)CCCC1Br"]
["111461834","Cc1cc(S(=O)(=O)N2CCC[C@@H]2CO)sc1Cl"]
["96475108","CCCCOc1cc(O)c(C=O)c(OCCCC)c1"]
["MCULE-8061986193","CCN(CC)CCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN1CC(C)CC(C)C1"]
["145642386","c1ccc2c(c1)N=c1ccc3c(c1-2)N=C(c1ccc2ccccc2c1)C=3c1ccc2ccccc2c1"]
["146075204","Cl.NCC1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1"]
["MCULE-7664703751","CCc1c(C)nn(C(C)CC)c1N"]
["98661136","Cc1cccnc1C1CCc2oc(-c3ccccc3)nc2C1"]
["60991312","Cn1cc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c2cc(C(C)(C)O)ccc21"]
["102948352","COc1ccc(C(C)Cl)cc1N=C(O)c1cc(Cl)cc(N=NC(C(C)=O)C(O)=Nc2ccc(N=C(O)C(N=Nc3cc(Cl)cc(C(O)=Nc4cc(C(C)Cl)ccc4OC)c3)C(C)=O)c(C(C)Cl)c2)c1"]
["2370139","CCCOc1ccccc1C[NH+]1CCC[C@@H](CO)C1"]
["167869906","CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC/C=C\\CCCCCCCC)COP(=O)([O-])OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2[O-])[C@H](O)[C@@H]1O"]
["113352410","CCCOCCN1C(=O)C(C)(CC)N=C(O)CC1C"]
["198546430","CN1CCN(c2c(F)cc3[nH]c(-c4nc(C#N)ccc4Cl)cc(=O)c3c2F)CC1"]
["172039579","COc1cc2c(cc1OC)[C@H]1C[C@@H](COC(=O)[C@H]3COCCN3)[C@H](CC(C)C)CN1CC2"]
["161713429","CC1=CC=C(C(C)C)C(=O)/C1=N/Nc1c(Cc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])ccc(C(C)C)c1O"]
["3017778","CC(O)=Nc1ccc(Cl)cc1N=C(O)c1cn2c(C)cccc2n1"]
["MCULE-8620961442","Cc1ccc(NC(=O)c2ncc(-c3cccc(N4CCOCC4)c3)cc2C)c(C)n1"]
["33675807","CCCCC(CO)Nc1nc(C)nc(Nc2ccc(C)cc2)n1"]
["MCULE-2332793044","N#Cc1ccccc1S(=O)(=O)N1CCOc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21"]
["138298638","Cc1ccc(C(O)=NCCCc2nnc3n2CCCCC3)cc1O"]
["24736809","CC1CCCCN1Cc1nc(O)c2cnn(C)c2n1"]
["171937191","CC1(C)[C@@H](CC(=O)N2CCc3c(n(Cc4cnc(C(F)(F)F)s4)c4ncccc34)C2)CC[C@@]1(C)C(=O)O"]
["MCULE-3205133294","Cn1ncc2ccc(-c3ccc(N=C(O)c4ncccc4F)c(F)c3F)cc21"]
["57218922","Cc1c(Cl)cccc1NC(O)=NCCOc1ccc(-c2ccco2)nn1"]
["156344840","CN(C)C(C(=O)O)c1cccc(F)c1Br"]
["78265200","[CH2-]CC#[N+]CCC[N+](C)(C)C.[Cl-].[Cl-]"]
["87004982","Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cn1"]
["21206077","O=C1c2ccc(Br)cc2C(=O)N1CCC(O)=[NH+]Cc1cn2ccccc2n1"]
["MCULE-9052332390","CCCN=C(O)CCCCCNC(=O)c1ccc(OCCC)cc1"]
["33582065","CN[C@H](c1ccccc1)[C@@H](O)COC"]
["116537749","CN=C(NCC(=O)OC(C)(C)C)NCc1ccc(C)cc1OCCCOC.I"]
["53852017","Cc1nc(S(=O)(=O)Cl)cn1CCN1CCN=C1O"]
["20154540","C[C@H]1CN(Cc2[nH+]nc(C(C)(C)C)o2)C[C@H](C)O1"]
["100321275","OC(=NC(C1CC1)C1CC1)C1NC(Cl)=C2C(F)=CC=CN21"]
["137072187","N#CCCCS(=O)(=O)N1CCN(C(O)=NC2CCCCC2)CC1"]
["173603633","Cc1ncoc1-c1ccc([C@H](C)N=C(O)[C@@H]2C[C@@H](O)CN2C(=O)C(N=C(O)COCCOCCOCC(=O)N2CCN(c3ccn4c(n3)nc3ccccc34)CC2)C(C)(C)C)cc1"]
["129585449","CC(O)CN1CCC(CN(C)C(=O)C(C)(C)C#N)CC1"]
["96079169","CC1=CCN(CC(N)c2cccs2)CC1"]
["114919676","NC(C1=CCCCC1)c1ccc(F)cc1I"]
["177680166","Cc1cc(C(C)C)c(N=C(O)NS(=N)(=O)c2sc(C(C)(C)O)nc2CO)c(C(C)C)c1"]
["69881000","CC(=O)C1(O)C(=O)N(Cc2ccccc2)C2CCCC2C1C"]
["143072259","CCC(CC)c1cc(CN=C(O)c2csc(-c3ccccn3)n2)on1"]
["132775614","COc1cc(C)ccc1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1"]
["155047217","C[C@H]1[C@H]2C[C@H](C[C@H]1N=C(O)c1cnc(N3CCCCC3)nc1-c1ccccc1F)C2(C)C"]
["134175128","CCCCN=C(O)C1CCC(C)N(C(O)=NCCN(CC)C2CC2)C1"]
["49035441","C[N+](C)(C)CCOP(=O)([O-])OCCC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1"]
["197857006","OC(=NOCc1ccccc1)C1CCCc2nn[nH]c21"]
["94943141","CC1CCN(C2CCN3CCCC23)CC1CN"]
["115080060","CCCC(Nc1ccc(Br)nc1C)c1ccccc1"]
["168140313","CCOC(=O)C1=C(O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=NC(=O)c1ccccc1"]
["112956468","CCNCC(C)S(=O)(=O)Nc1cnccc1C"]
["MCULE-4202047062","FC(F)(F)COc1ccc(-n2cc(I)cn2)cc1"]
["194078157","CN(C)C(=O)c1ncccc1N.CN(C)C(=O)c1ncccc1Nc1cc(Cl)ncc1C(F)(F)F.Cc1cnc(Cl)cc1I"]
["89877570","CCc1nc2ccc(C(=O)N3CCCN(c4nc(C)cc(O)n4)CC3)cc2[nH]1"]
["108214416","CC(C)Oc1ccccc1CC(O)=N[C@@H](C)CCC(=O)O"]
["MCULE-8830012059","Cc1ccc(F)c(CN(C)CCN2CCN(C(=O)Cc3ccccc3F)CC2)c1"]
["32426481","C[C@H]1C(O)=N[C@@]2(C(=O)O)COC(C)(C)O[C@@H]12"]
["85354817","Cc1ccc(C(C)N=c2cc[nH]cc2Cl)o1"]
["200444871","COc1ccc(-c2[nH]nc3c2C(c2ncc[nH]2)CC(O)=N3)c(OC)c1"]
["157703120","Cc1c(Br)cccc1C(=O)N1C[C@@H](C)[C@H](C(=N)O)C1"]
["MCULE-6782483951","Cc1cc(O)cc(=O)n1CCCC(O)=NCc1ccc(S(=O)(=O)NCC(C)C)cc1"]
["142945421","CC(Oc1ccc(F)cc1Cl)C(O)=NN1CCOCC1"]
["93260942","CN=C(O)c1cccc(NCc2nc(C)cs2)c1"]
["64696992","Cc1ccccc1[C@@H]1CC(C(=O)O)=Nc2ncnn21"]
["4391324","CCCN(Cc1ccc(OC)cc1)C(=O)c1cnc(N(C)C)nc1C"]
["52460107","CCN(CC)C(=O)c1ccc(C)c(N=C(O)CN2CCC(C(O)=NC(C(O)=Nc3cccc(C(=O)N4CCCC(C)C4)c3)C(C)C)CC2)c1"]
["92523577","Cc1cc(N=C(O)C2CC3C=CC2C3)c(C(=O)O)[nH]1"]
["25370227","CCCCc1ccc(C#Cc2ccc(OCCC)cc2)nn1"]
["MCULE-1438702693","OC(Cc1csc(-c2ccc(F)cc2)n1)=Nc1nc[nH]n1"]
["125919304","Cc1nn(CCCl)c(C)c1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1"]
["135207293","CCOCCC1(C(O)=NCCC(=O)N=c2cc[nH]cc2)CCCC1"]
["173772030","CC(C)C1NN=CC(C)[C@H]1C"]
["191877452","Cc1nocc1C(O)=NCc1ccc(Cl)c(CC2=Nc3cc(N4CCCC4)ccc3C2)c1"]
["111333222","CCCNc1ncnc(N2CCCC(OC)C2)c1OC"]
["103755149","C#CCN=C(O)[C@@H](C)Oc1cccc(Cl)c1Cl"]
["143378501","Cc1nc2ccc(N=C(O)c3ccc(N4CCC(C)CC4)nc3)cc2o1"]
["118106429","CN=C(NCCCn1c(C)nc2ccccc21)NCc1ccc(CN2CCOCC2)cc1"]
["17140199","CS(=O)(=O)N1CCCc2ccc(N=C(O)c3ccc(=O)oc3)cc21"]
["148835031","N=c1cc(CCCc2ccccc2)nc[nH]1"]
["29822842","CSCCOC(O)=Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCC2"]
["95029599","N=C(O)CCN=C1NCCN1"]
["99084842","N[C@](Cc1ccc(Cl)c(Br)c1Cl)(NC(Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccc(NCc3ccccc3)cc2C1)C(=O)N1Cc2ccccc2C1"]
["68865690","CCC(C)c1ccc(OC)c(-c2cn3cc(CC(=O)O)sc3n2)c1"]
["MCULE-3616676649","CC(O)=Nc1cccc(-c2cc(F)c(C(O)=Nc3ccccc3C(F)(F)F)cc2C)c1"]
["197081388","Cc1cc2nnn(CCCC(=O)[O-])c2cc1C.[Na+]"]
["173065943","CCNC/C=C(\\C)c1ccc2nc(-c3cc(Cl)ccc3OC)sc2c1"]
["64487017","O=C(c1ccc(F)cc1F)N1CCC(C(O)=Nc2ccccc2-c2nc3ccccc3s2)CC1"]
["21364528","CN1CCN([C@H](C[NH+]=C(O)c2cnn(C(C)(C)C)c2)c2cccs2)CC1"]
["33156421","C#CC#CCOC1CCCCO1"]
["96546398","Oc1cccc(-c2cc(Cc3ccccc3)ccc2Cc2ccccc2)c1"]
["182924185","CC(=O)OC[C@H]1O[C@@H](C(C)OC(=O)c2cnc(O)nc2O)[C@H](OC(C)=O)[C@H]1OS(=O)(=O)c1ccc(C)cc1"]
["94594991","COCCOCCNCc1ccc(C#N)cc1C"]
["128119275","COCCCCCN=C(O)N1CC(O)CC1c1cc(F)ccc1F"]
["127018979","CCc1nc(N=C(O)CSc2nncn2-c2ccc(C)cc2)n[nH]1"]
["12604022","COc1ccc2nc(O)c(CN=C(O)c3cc(OC)c(OC)c(OC)c3)cc2c1"]
["184674091","CN=C(O)Nc1ccc(S(=O)(=O)N2CCC(C3CCN4C(C3)C(C(=O)N3CCC(C)CC3)C(C)[N+]4=O)CC2)cc1"]
["183772093","N#Cc1cc2c(Oc3ccc(N=[N+]=[N-])cc3)ccnc2cc1OCc1ccccc1"]
["MCULE-5319007120","Cc1cc(-c2cnc(C#N)nc2)cc(C)c1C(=O)NC1CCS(=O)(=O)CC1"]
["121097800","CC(C)C1(C)CCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1"]
["171963342","OC1(CCCOCc2ccccc2)CC2CCC(C1)S2"]
["156284990","CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@H](c6ccc(Cl)cc6Cl)O5)c(Cl)c4)CC3)cc2)c1=O"]
["23003249","Cc1ccc(CN=C(O)C2CCCN(c3nc(O)c4scc(-c5ccccc5)c4n3)C2)cc1"]
["MCULE-7327895409","COc1cc(N=C(O)c2cnco2)cc(-c2cc(OC)c(OC)c(OC)c2)c1"]
["MCULE-9740975739","CC(C)Cn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(Cl)c(Cl)c1"]
["156860355","CC(=O)N1CCC[C@H](C(O)=NS(=O)(=O)c2ccc3c(c2)CCC3)C1"]
["5973519","Cc1nc([C@@H](N=C(O)c2cc3ccccc3s2)c2ccccc2)n[nH]1"]
["95816516","OCC(Cc1cccc(F)c1)Cc1cncs1"]
["28008284","CC(=O)N1CCN(C(=O)c2c(=O)c3ccc(N4CCOCC4)nc3n3c2sc2ccccc23)CC1"]
["111945569","Clc1cc(Br)cnc1NC1CCCCC1Cl"]
["49504784","CC#CCOc1nsc(N2CCCCCC2)n1"]
["173005443","CC1(c2c[nH]c3c(Br)cccc23)CCCO1"]
["9066753","COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](O)C[C@@H](c3ccc(F)cc3)N21"]
["25729737","CCCC=CC(C)(C)C(C)C(=O)OCC"]
["97395935","O=C(O)CN1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN(CC(=O)O)CCN(CC(=O)O)CC1"]
["55083195","CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1"]
["161228480","CCOC(=O)[C@H]1CCC[C@H](n2nc(-c3ccc(CN=C(O)c4ccccc4OC)cc3)c(C(=N)O)c2N)C1"]
["60829628","COc1ccc2nc(C=Cc3ccncc3)[nH]c(=NC3CCC(N)CC3)c2c1"]
["130967333","CCCN(CCC)C(O)=Nc1ccccc1OCCC(=N)O"]
["174825346","CC(C)(C)OC(O)=NCC1CNCCN1.COC=O.c1ccncc1"]
["106205363","CC[C@H](c1nc2ccccc2cc1C)[C@H](C)Cl"]
["47160797","COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H]3C(O)=NCc3ccco3)ccc2c1"]
["111857563","CC(C(=O)O)C(C)C(O)=Nc1cccc2c1CCCC2"]
["13337367","CC(C)[C@@H](N=C(O)OCc1ccccc1)n1cncn1"]
["135316776","CC(NC(O)=NCc1ccc(OCCCN(C)C)cc1)c1nc2ccccc2[nH]1"]
["60054377","COc1cc2c(-c3ccccc3)c(C)oc2cc1/C=N\\NC(=N)S"]
["1503706","C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(OCC(F)(F)F)cc1"]
["MCULE-1512495563","CCOP(=O)(OCC)c1cn(-c2cc(F)c(F)cc2Br)nc1C(F)(F)F"]
["MCULE-5025017630","CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)C2c2ccccc2)cc1C(C)(C)C"]
["MCULE-4943339387","COc1ccc(C=CC(O)=Nc2nc(N3CC(C)OC(C)C3)nn2-c2cccc(Cl)c2)c(OC)c1"]
["59288284","CSCCC(N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(N)CS)C(O)=NC(CC(=N)O)C(=O)O"]
["149470086","CCOc1cccc(C2/C(=C(\\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccc(C(=O)OCC(C)C)cc2)c1"]
["170208231","C=NNC(CCNCc1ccccc1)=NC"]
["29241767","CC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)C(C)CC1NS(=O)(=O)C(C)(C)C"]
["MCULE-7260377739","CCn1ncc(C(=O)N2CCCN(C(=O)c3ccccn3)CC2)c1C"]
["99932808","CN1CCC(Oc2ccc(N)cc2)C(F)C1"]
["MCULE-6276954177","CC(C)N1CCC(C(O)=Nc2cc(F)cc(-c3cncc(C#N)c3)c2)CC1"]
["111011229","Cc1cc(=Nc2cc(Oc3ccccc3)cc(Cl)n2)[nH][nH]1"]
["115064740","NCc1c(Cl)cccc1OCc1cccc([N+](=O)[O-])c1Br"]
["122612842","Cc1ccc(Cc2n[nH]c(=NC(O)=NCc3ccc([N+](=O)[O-])cc3)s2)cc1"]
["195745873","CN(C(=O)CC1CCCC1)S(=O)(=O)c1cc(S(N)(=O)=O)ccc1Cl"]
["96706494","CC[C@@H](OC(=O)c1ccc([N+](=O)O)cc1)c1ccccc1"]
["97123798","COc1ccc2ccccc2c1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3c(OC)ccc4ccccc34)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2"]
["152328230","CCOC(=O)C1=C(C)N=c2s/c(=C\\c3c(OCc4ccccc4C#N)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1"]
["161276928","CCCc1ccccc1CCC.OP(O)(O)=S.OP(O)(O)=S"]
["MCULE-9687992786","CCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(CC)s3)cn2)CC1"]
["91375885","CC(C)CCC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1"]
["11880223","Cn1c(Sc2ccc(C3OC(=O)CC(=O)O3)cc2[N+](=O)[O-])nnc1-c1ccccc1"]
["164651268","COC1CCN(c2ccccc2S(=O)(=O)C(F)F)CC1"]
["149791180","COc1cnn(-c2c(O)nc3cc(Cl)c(C)cc3c2O)c1"]
["MCULE-9332142421","O=C(O)C(Cc1ccc(F)cc1)N=C(O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O"]
["172845530","[2H]C([2H])([2H])N1CC[C@@H](Oc2c(OC)ncc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c23)C(F)(F)C1"]
["17408245","O=C1/C(=C\\c2cccc3c2OCO3)SC(=S)N1CCc1cccs1"]
["110310475","C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1"]
["181199403","C=CC(=O)N1CCN2c3ncnc4cc(-c5cccc6oc(=O)n(C)c56)c(Cl)c(c34)OC[C@@H]2C1"]
["176195150","C[C@](Cl)(N=[P+]([O-])Oc1ccccc1)C(=O)OCc1ccccc1"]
["183431376","N=C1N=C2N=C(Cc3ccc(-c4cccs4)nc3)N=C2C(N)N1"]
["18277097","COc1ccc(CN=C(O)CSc2nnc(-c3ccccc3F)n2C)cc1OC"]
["81520288","Cc1cc(Br)ccc1C(C)NS(=O)C(C)(C)C"]
["105748842","CN[C@H](C)C(O)=Nc1cc(Cl)ccc1-n1cccn1"]
["78935161","c1ccc(-c2ccc(-c3ccc(/C(=C(/c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1"]
["73979877","CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)I(=O)=O)c(-c3cc(-c4nc5ccccc5s4)ccc3F)cc12"]
["117457184","Cc1c(Cl)cccc1NC(=O)c1nccs1"]
["92758447","COC(O)=NC1CCN(C2CCCCCC2O)C1"]
["28812763","COc1ccc(-c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2)cn1"]
["129468686","C#CCN(CC#C)S(=O)(=O)c1c(C(=O)OC)sc2ccccc12"]
["90125325","CC(C)Cc1nc2c(N)ccnc2n1C(C)C"]
["56848735","[C-]#[N+]c1cc(C#N)cc(Oc2c(OCc3nnc(O)n3C)ccc(Br)c2F)c1"]
["23558435","CCSc1ncccc1C1CCCCN1C(=O)c1ccccc1"]
["117124783","CN1C(=O)CCC2(CNC(=O)c3ccco3)CCC=C12"]
["7623322","COc1ccccc1N=C(O)COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1"]
["65793461","OCC[C@H]1CN(Cc2ccc(CN3CCCCC3)s2)CCN1C1CCCC1"]
["16891922","CC1=C(n2nnc3cccc(C4(O)CCCCC4)c32)OCC1"]
["78566187","CC(C)O[Si](C)(OC(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F"]
["67100291","O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCC(O)=Nc1ccc(F)c([N+](=O)[O-])c1"]
["151155687","CCN(C(O)=N[C@H](CCSC)C(=O)OC)c1ccccc1"]
["MCULE-3021177664","N#Cc1cc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)c(F)c2)ccc1F"]
["55607086","Cc1cccc(C(=O)Nc2ccc(NC(=O)C(C)N=C(O)C3CCN(C(C)C(O)=Nc4cccc(C(O)=Nc5ccccc5C)c4C)CC3)cc2)c1"]
["177875538","C#CC(=O)Oc1cc(CCN)ccc1O"]
["12808438","CN(C)CCN(Cc1cccc(C#[NH+])c1)S(=O)(=O)Cc1cccc(F)c1"]
["58161975","Cc1cccc(C(O)=NCC(C)C)c1N=C(O)C(C)N=C(O)C1CCN(CC(O)=Nc2cccc(C(O)=NC3CCCC3)c2C)CC1"]
["143225811","CCC(Nc1cccc2c1CCN2C(=O)COC)c1cccc([N+](=O)[O-])c1"]
["44119070","CC(O)=NC(CSCc1ccn(C2CCCC2)n1)C(=O)O"]
["MCULE-6060933070","CCOC(=O)c1sc(N=C(O)COc2cn(CCc3ccc(C)cc3)c(C)cc2=O)nc1C"]
["99897363","CCC1(S(=O)(=O)N=C(O)[C@@]2(N=C(O)[C@@H]3C[C@@H](Oc4nc(Cl)cc5c(OC)cccc45)CN3C(=O)[C@@H](N=C(O)OC(C)(C)C)C(C)(C)C)C[C@H]2C)CC1"]
["83528639","CCO[Si](OCC)(OCC)OC1CC=CCCC2C3C=CC(C3)C12"]
["MCULE-8177033485","C#CCOc1cn(CCCN(CC)CC)c(CN2CC(O)C2)cc1=O"]
["13100464","C[C@@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(=O)c1c[nH]c2ccccc12"]
["110130671","OC(CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)=NCc1cccc(CN2CCCCCC2)c1"]
["18456042","CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)CC)c1)C(=O)c1ccccc1"]
["67731274","CC(C)(N=C(O)C=CC(=O)O)C(=N)O"]
["172891944","C=CCN=C(O)c1cc2cc(OC)ccc2c(=O)[nH]1"]
["MCULE-1624661268","O=C(Cc1cccc(-c2ccncc2)c1)N1CCC(C(F)(F)F)CC1"]
["180449595","O=C(O)C(NC12CC3CCC1C32)c1ccccc1"]
["153538748","CCC#CCOC(=O)[C@H](CSCN=C(C)O)N=C(O)c1coc(-c2cccs2)n1"]
["56513601","C/C=C/C1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(CCCCCCCCCC)c(F)c5F)cc4)c(F)c3F)CC2)CC1"]
["128505705","COc1ccc(C(=O)NCCN=C(O)N(C)Cc2ccccc2)cc1"]
["MCULE-5636528329","Cc1cc(CCCN=C(O)OCc2ccccc2)cc(C)c1O"]
["143488259","CC(C)c1cc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)n(C)n1"]
["552863","CC(C)(C)c1cc(-c2ccc3cc(C(=O)O)ccc3c2)ccc1O"]
["84746450","CCC(C)c1ccccc1OCc1cccc(NN)n1"]
["30704966","CSCC[C@H](N=C(O)c1ccc(N(C(=O)O)N2C=CC=NC2)cc1-c1ccccc1)C(=O)O"]
["50522933","COc1ccc2c(c1)N(OC(=O)C1=CC(=O)C(=O)C(O)=C1)NN2"]
["147799754","OC=N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl.OC=N[C@H](N1CCOCC1)C(Cl)(Cl)Cl"]
["130195389","CN(C(=O)C1CC(=O)C1)C1CCN(CCc2ccccn2)CC1"]
["170668282","Cc1cc(-c2sc3ccccc3c2-c2cccc(-c3c(-c4cc(O)c(C(C)(C)C)cc4C)sc4ccccc34)n2)c(O)c(C(C)(C)C)c1"]
["182672938","COC1=CC(Oc2cccnc2)(Oc2cccnc2)C(S(C)(=O)=O)(S(C)(=O)=O)C=C1C(O)=NC(=N)N"]
["136852263","Cc1ccc(C(O)=NNC(O)=Nc2cccc(OCc3ccc(F)cc3)c2)o1"]
["126937316","Cc1nc(-c2cccc(C(=O)Nc3ccc(F)c(C#N)c3)c2)cs1"]
["92052841","Cc1cccnc1COc1c(Cl)cc(N)cc1Cl"]
["1366244","CC(C)[C@@H](N=C(O)c1c(F)cccc1F)C(=O)N(C)Cc1ccccc1Br"]
["80849758","COc1cc(N=C(O)C(C)Oc2ccc(Br)cc2)c(C(=N)O)cc1OC"]
["70467803","COc1cc(C=CC(O)=NC2CCSc3ccccc32)ccc1OS(=O)(=O)c1ccc(C)cc1"]
["142801258","Cc1ccc(N=C(O)c2nnc(CN(C(C)C)C3CC3)s2)cc1"]
["MCULE-9862472440","C=CCn1cc(OCC(O)=Nc2c(CC)cccc2CC)c(=O)cc1CN(CCO)CCO"]
["100354720","[SiH3]CC[SiH2]c1ccc[nH]1"]
["84963272","NCC(Cc1ccc(Cl)cc1)c1ccccc1Br"]
["189030086","COC1(C)CC2CN(C(C)=O)C2C1"]
["CNP0587004.0","CCC(=O)C=CC=CC=CC(=O)NC1=CC(=O)C2CCN12"]
["58006485","CC(C)Cc1ccc([C@@H](C)N=C(O)CN2CCC(CO)CC2)cc1"]
["60862810","O=CC1CN2CCCC2=N1"]
["165073187","CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COCCC(C(=O)[O-])[N+](C)(C)C)COC(=O)CCCCCCCCCCCCC"]
["CSSS14929158472","O=C(O)c1coc(COC(=O)c2ccc(S(=O)(=O)F)s2)n1"]
["MCULE-9476545040","Cc1noc(C)c1N=C(O)c1cc(F)ccc1-c1cccs1"]
["92781471","CCCNC(Cc1cccc(F)c1F)c1c(Br)cnn1C"]
["MCULE-6290797507","Cc1ccnc(NC(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1"]
["76587870","CCc1cccc(C)c1N=C(O)CSc1cccc(NC(=O)C(=Cc2cccc(OC)c2OC)N=C(O)c2ccccc2)c1"]
["MCULE-7393120599","COc1cc(-c2cc(F)ccc2F)ccc1CC(O)=Nc1nc(C)ncc1C#N"]
["87028554","CC1(NCc2cccc(F)c2Br)CCS(=O)(=O)C1"]
["55477041","Cc1cc(-c2csc(=Nc3cccc(O)c3)[nH]2)ccc1F"]
["21479882","O=C(O)[C@H]1CC=NCC1"]
["MCULE-4557833895","CON(C)C(=O)c1ccc(-c2cccc(C(=O)Nc3ccc(C(C)=O)cc3)c2F)cc1"]
["100795581","O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N=C(S)N/N=C3\\[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]3O)cc21"]
["164398580","CC(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O"]
["15724721","CCS(=O)(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1"]
["MCULE-9056364600","CCCCS(=O)(=O)N(CC(O)=Nc1cccc(C)c1)C(CC)C(O)=Nc1cccc(N(C)C)c1"]
["127028083","CC(N=C(O)C(C)(C)C)C(=O)N1CCC2OCCCC2C1"]
["MCULE-8155926496","CCN(CC)CCCCN=C(O)Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O"]
["157521099","Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OCCCC(=O)O)cc3)CC2=O)cc1"]
["47740624","COc1cc(OC)c(C2CC(O)=Nc3c2c(O)nn3C2CCOCC2)cc1OC"]
["97948575","COC(=O)c1ccc(-c2cc(OC)c3oc(CN=C(O)OC(C)(C)C)cc3c2)cc1"]
["106422093","CN1CCN([C@@H](c2ccc3c(c2)CC(O)=N3)[C@H]2CCCN2)CC1"]
["26234655","O=C(Nc1ccc(O)cc1)C(CS)Cc1ccccc1"]
["128192537","CC1(CNC(O)=NCCc2nc(C(F)(F)F)cs2)COC1"]
["140093451","CSc1ccc(C(C)NCC2CCCN(C)C2)cc1F"]
["180763479","COCC(O)=NCC(C)C1=INC(=N)C=C1"]
["28698171","COc1ccc2c(O[C@@H]3CC4C(O)=N[C@]5(C(=O)O)C[C@H]5/C=C\\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C"]
["135482700","COC1(C)CC(N(C)C(O)=NCc2cc(C)no2)C1(C)C"]
["128331578","Cc1csc(C(C)CN=C(O)CCc2nc3ccccc3s2)n1"]
["100222831","CC1=CC(=CN[C@@H]2CCCC[C@H]2NC=C2C=C(C)C=C(C)C2=O)C(=O)C(C)=C1.Cc1cc(C)cc([C@H](NC=C2C=CC3=C(C2=O)[C@H](C)CC3)[C@@H](NC=C2C=CC3=C(C2=O)[C@H](C)CC3)c2cc(C)cc(C)c2)c1.Cc1ccc2ccccc2c1C1=c2ccccc2=CC(=CN[C@@H](C)[C@H](C)NC=C2C=c3ccccc3=C(c3c(C)ccc4ccccc34)C2=O)C1=O"]
["94956511","CCCC(C)C(NN)c1c(Cl)cnn1C"]
["115601329","CCN(CC)c1ccc(C2/C(=C(\\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccccc3[nH]2)cc1"]
["177319885","Cc1cccc(C(CN)C(=O)N2CC(c3ccccc3C)CC2C)c1"]
["137247803","Cl.OC(CC1CCNC1)=NC1(c2cccc(F)c2)CCOCC1"]
["MCULE-6481070820","Cc1cccc(N=C(O)CCC(=O)c2ccccc2)c1-c1cnc2ccccc2c1"]
["174147209","CN=C(/C(Br)=C\\N)c1cc(C)ccc1OC"]
["7394024","CN(Cc1ccc(Cl)cc1)CN1C(=O)C2(CCCC2)N=C1O"]
["184413202","CCC(CC1CCCCC1)C(N)O"]
["168308770","COc1ccc2[nH]cc(/C=N/NC(=N)N)c2c1"]
["79580947","CC(C)(O)C#CC1=CC=C[CH]1.IC1=CC=C[CH]1.[Fe]"]
["73706586","O=C(CCl)Oc1ncns1"]
["97476120","CC(=O)C(/C(=C/c1ccccc1)c1nc2ccccc2s1)=P(c1ccccc1)(c1ccccc1)c1ccccc1"]
["137953010","CCN=C(O)COc1ccc(CNC2CCCOc3cc(C)ccc32)cc1OC"]
["19517877","COc1ccc(CCC(=O)[NH+]2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)cc1"]
["MCULE-3090097264","CCC(O)=Nc1cc(C(=O)N2CCCC2)ccn1"]
["112937898","CC(C)N=C(O)c1c(N)nsc1NCCc1ccc(Br)s1"]
["MCULE-5906782571","COc1ccc([N+](=O)[O-])cc1N=C(O)CCC(=O)N1CCCC1c1nnc2ccccn12"]
["19953588","COc1cc(/C=C/C(=O)N2CC[NH2+]CC2)ccc1O"]
["164280001","Cc1ncc(C(O)=Nc2ccc(CN(C)C)c(C(F)(F)F)c2)cc1C#Cc1c[nH]c(=N)c2ncccc12"]
["166988078","O=C(c1ccccc1F)N1CCCC(C(=O)N2CCC(N3CCOCC3=O)CC2)C1"]
["83927953","Cc1nc2c(OC[C@H](O)CO)cc(-c3ccccc3C(F)(F)F)nn2c1C(=O)N=c1cc[nH]cc1F"]
["14910819","COc1ccc(-c2c(C)sc3nc(SCc4ccccc4C)nc(Cl)c23)cc1"]
["56654879","OC(=Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cnc2nc(O)nc(O)c2c1"]
["5703236","Cc1ccccc1C(=O)N=c1[nH]onc1-c1cccs1"]
["54161077","Cc1cc(C)c(C#N)c(OCCN2CCCC2)n1"]
["151700314","CCN(CC)C[C@@H]1CO[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@H]12"]
["MCULE-8352552847","Cc1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)c3ccc(Cl)cc3)cn2)s1"]
["MCULE-2581449916","CC(C)(CO)CN=C(O)C1(c2ccccc2)CCCCC1"]
["MCULE-9966156246","CCn1nccc1-c1ccc(F)c(C(O)=Nc2cnc(OC)c(C)c2)c1"]
["116445586","CN=C(NCC1CN(CC(C)C)CCO1)NC(C)Cc1ccc(C)s1.I"]
["5412907","C[C@@H]1CCCC[C@H]1N=C(O)COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]
["104428844","N[C@@H](CCSCc1ccc(Cl)c(Cl)c1)C(=O)O"]
["174669435","CC1=C(C(=N)O)SCN1c1ccc(-n2nc(C(F)(F)F)c(Cl)c2C2CC2)nc1"]
["137206299","Cc1nc(SCC(O)=Nc2ccc(N3CCCC3)nc2C)n[nH]1"]
["MCULE-6607122540","Fc1c(-c2ccccc2)cccc1-c1c[nH]c2ncccc12"]
["180777175","O=NC(CCCCNC1CC1c1ccccc1)C(O)=NCc1cc(F)ccc1F"]
["18231447","OC(=Nc1ccc(F)cc1F)c1ccc2nonc2c1"]
["14169748","C[C@@H]1C[C@@H]1C(O)=Nc1cccc(-n2cnnn2)c1"]
["58693758","COC(=O)C(Cc1cccs1)C(=O)[O-]"]
["42450850","CCOC(=O)c1cc(Cc2ccccc2)sc1NC(S)=Nc1ccccc1Sc1ccc(Cl)cc1"]
["140201849","Cc1ccc(C)c(-n2c(C)nnc2SCC(O)=NCC2CCCC(O)C2)c1"]
["19808276","Cc1cc(C)n(Cc2cccc(NC(O)=NCCCN3C[C@H](C)O[C@@H](C)C3)c2)n1"]
["123383938","COCCOc1ccccc1NCc1ncnn1C"]
["98418245","CB(O)NNCc1ccccc1.CC"]
["MCULE-1676160528","CC(C)COc1ccc(-c2ccc3oc(N=C(O)CCCc4ccccc4)nc3c2)cc1"]
["175931043","CC(C)(C)NSc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccc(F)cc4)ccn3n2)c1"]
["194445760","CC=NCCCCCC(=O)CCCN(CCOCCOCCOC)c1cc(COc2cc3c(cc2C)C(=O)N2Cc4ccccc4CC2CN3C)cc(COc2cc3c(cc2OC)C(=O)N2Cc4ccccc4C[C@H]2CN3)c1"]
["MCULE-8900923503","CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(-c3ccc(CC#N)c(F)c3)cc2)CC1"]
["87668629","Cc1cccc(CC(CC(=O)N(C)C)C(=O)O)c1"]
["105542293","CCOc1ccc(C(=O)CCCC(O)=N[C@H](C)CC)cc1"]
["115978369","CCc1ccc(N=C(O)c2cc(C(=O)Nc3ccc(C(C)=O)cc3)ccn2)cc1"]
["78134475","CN1CCC/C1=N/CCSc1csc2ccccc12"]
["187628078","C#CCOCCOc1ccccc1-c1cc(C(C)(c2ccc(-c3ccccc3)cc2)c2ccc(OCCOCC#C)c(-c3ccccc3OCCOCC=C)c2)ccc1OCCOCC#C"]
["158385749","COC(=O)Cc1c(C#N)ccc(F)c1Cl"]
["66219070","O=c1[nH]nnc2c1sc1nsc(SCc3ccccc3)c12"]
["MCULE-2503971097","Cc1cccc(-c2cc(CC(=O)N3CCN(S(C)(=O)=O)CC3)ccc2F)c1C"]
["100653907","C[C@@H]1[C@H](NC(=O)O)CCCN1c1cnc(C#N)c(Cl)n1"]
["159106511","N[C@H](CC1OCCO1)c1cncs1"]
["137430804","CCOc1cc(CNC(C)c2ccc(C#N)s2)ccc1OC(F)F"]
["124962111","Cc1ccc(CCNC(C)c2ccc(N3CCOCC3)cc2)cn1"]
["96995356","O=C(O)Cn1cnc2c(O)nc(N=C(O)OC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)nc21"]
["115629503","CCc1ccc(OCCC(O)=NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1"]
["125918207","CCOc1ccc(CN=C(O)N2CC(C)c3ccccc32)cc1OC"]
["198641641","CC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(CC4CCOCC4)cc3)C2=O)n1"]
["508056","Cc1[nH]c2ccccc2c1C1=CCN(CCCCC23CCCc4cccc(c42)N=C3O)CC1"]
["46182447","CC(C)CC(C(=O)[O-])C(C)CC(=O)N=c1ccn(-c2ccccc2)[nH]1.[Na+]"]
["196468854","Cc1nnc2n1[C@@H](CC(C)C)CN(C(=O)c1csc(=N)[nH]1)C2"]
["136351669","CSc1cc(C(=O)Oc2cccc(N=C(O)c3cnn(C)c3)c2)ccc1F"]
["89818370","CSCc1ccc(C(=O)OCCN2C(=O)C(C)(C)Nc3ccccc32)cc1"]
["80617879","CCC(=O)N(C1CCCCC1)C(C(O)=NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1O"]
["112202013","CCS(=O)(=O)CCNCc1cccc(Br)n1"]
["44004623","O=C(O)C(O)CCCCN=C(O)C(F)(F)F"]
["77321026","OC1=NC(c2cccnc2)NC2CCN(Cc3ccc(N4CCCC4)cc3)CC12"]
["189164924","N#Cc1ccc(NS(=O)(=O)c2c[nH]c(Br)c2)c(F)c1"]
["117301691","CCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1"]
["194576864","CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ncc(OC2=C=C3c4ncc5n4C4C(=C=CC=C4C(C)(C)C5(C)C)[C-]3C=C2)[n-]1.[Pt+2]"]
["172619859","CCC1CCCC(CC)OC(=O)CCCCC(=O)O1"]
["9628119","COC(=O)CN(CC(=O)OC)CC(O)=NC(O)=NC(C)(C)C"]
["MCULE-8554782366","COCc1nc(-c2cccc(N=C(O)C=Cc3ccccc3)c2)cs1"]
["MCULE-9615717449","COc1cc(C(=O)Nc2ccc(-c3ccc(OC)c(F)c3F)c(F)c2C#N)ccn1"]
["158164868","CCN1CCN(C(=O)CCc2ccc(C)o2)C[C@@H]1c1nccn1C"]
["90330370","CC(=NNc1ccccc1C)c1ccco1"]
["191639503","c1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5c(-c6ccccc6)c6c(cc5c34)oc3ccccc36)c2)cc1"]
["MCULE-8225801169","Cc1cccc(OCCCCOc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1"]
["135013069","COc1ccc(CNC2CCN(C(=O)c3ccccc3)CC2)c(OC)c1"]
["169983631","C=C/C=C\\c1c(C)n(-c2ccc3c4ccc(-n5c6ccccc6c6ccccc65)cc4n(-c4ccc(C(C)C)cc4)c3c2)c2ccccc12"]
["60609364","COc1ccc(N(N)NNc2cc([N+](=O)[O-])ccc2C(=O)O)c(C(=O)O)c1"]
["106854812","C[C@H](NC(O)=NCCc1csc(N2CCCC2)n1)c1cnn(C)c1"]
["86316423","CCN=C(O)CN(CC)c1nc(=NC)[nH]cc1F"]
["MCULE-4201302850","CCOC(=O)N1CCC(C(O)=Nc2cccc(-c3cccc4c3cnn4C)c2C#N)CC1"]
["33663465","CC(C)(C)C(CCO)CCBr"]
["171312657","COC(=O)c1cccc([C@@H](N)C(F)(F)C(F)(F)F)c1.Cl"]
["11852822","OC(=Nc1ccc(Cl)c(F)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1"]
["63703906","CCNCCCCSc1n[nH]c(C)n1"]
["130632761","CN1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCO4)nc2)CC1"]
["159724727","COc1cccc(C2=CCN(C(O)=Nc3ccc4c(c3)N(C)CCO4)CC2)c1"]
["MCULE-3758827230","Cc1ccc(-c2cc(C)c(NC(=O)c3c(F)cc(F)cc3F)c(C)c2)cc1[N+](=O)[O-]"]
["151204968","O=C(O)CCCN=C(O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F"]
["60249740","O=C(CCc1cccc(O)c1)OCC(Cl)(Cl)Cl"]
["MCULE-7238506746","CC(C)OC1CN(C(=O)Cc2cc(-c3ccc(CC#N)cc3)cc(C(F)(F)F)c2)C1"]
["MCULE-1681544109","CCOC(=O)c1sc(N=C(O)c2ccc(OC)cc2N)nc1-c1ccccc1"]
["6262068","Cc1ccc(C(=O)O[C@H]2CO[C@@H]3CO[C@H](c4ccccc4)O[C@H]3C2)cc1"]
["148445807","O=C(O)[C@@]12CCC[C@H]1CN(c1cc(C(F)(F)F)ccn1)C2"]
["142296991","CCCCOC(=O)CN=C(O)Cc1ccn(C)n1"]
["151939505","CCOc1ccnc(N[C@H]2CCCN(C(C)=O)C2)n1"]
["MCULE-3868547305","CCCc1ccc(-c2cn(C)[nH]c2=NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1"]
["27768226","O=C(O)NC1CC[C@H](N=C(O)CN=C(O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1"]
["134189245","CCc1cc(C#N)c(N=C(O)C2CCCN(C(=O)c3ccc(C)cc3)C2)s1"]
["197088685","CCCOC(CCCCC/C=C/CCCc1cc(PI)c(C)c(C)c1C)OCCC"]
["46504227","C=CCCCCC[C@H](Cc1ccc(C)c(F)c1)C(=O)OC"]
["124594913","OCC1(N=C(O)CCc2ccccn2)CCOC1"]
["146755491","COc1ccccc1OCCN1CC2CCC(N)C2C1.Cl"]
["CSSS05020223283","Cc1cc(F)cnc1C(=O)N(C)CCN=C(O)c1cc2cc(F)cc(F)c2[nH]1"]
["42947831","Cc1ccn(P2(n3ccc(C)n3)=NP(c3ccccc3)(c3ccccc3)=NP(c3ccccc3)(c3ccccc3)=N2)n1"]
["150765448","CCCC(=O)OCC(=O)[C@]1(OC(=O)CCC)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C"]
["MCULE-5959802748","CC(O)=Nc1ccc(-c2cnn(C)c2N=C(O)c2cc(C)ccn2)cc1"]
["48825217","Cc1ccccc1CN(Cc1cccc(-c2ccccc2)c1)C(=O)CCc1cccnc1"]
["167653872","CCC/C=C\\C/C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\C/C=C\\CCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC"]
["MCULE-8230933683","COc1ccccc1C(O)=Nc1cccc(-c2cc(C)cs2)c1"]
["115273048","CC(C)(C)c1nnsc1C(O)=Nc1c(N)ccc(F)c1F"]
["168406072","CC(O)CNCC(C)O.O=C(O)c1ccccc1N=N/C(=N/Nc1cc(S(=O)(=O)O)ccc1O)c1ccccc1"]
["178362519","COc1cc(Cl)ccc1-c1nc2ccccc2c(=NCCC2C=CC=CC2)o1"]
["MCULE-5456580758","COc1cc(C(=O)N2CCN(CC3CC3)CC2)cc(OC)c1-c1ccccc1[N+](=O)[O-]"]
["149667501","[C-]#[N+]c1ccc([C@H](O)CN2CCN(c3ccc(C#N)cn3)[C@H](c3ccc(Cl)cc3)C2)cc1"]
["174422762","CCc1cccc(CNC(C2=CC=CCC2)C2=COC=CO2)c1"]
["85358507","CC(NC(=N)O)C(O)=NC1(CC(=O)O)CCC1"]
["91544627","O=C(c1cccc(N2Cc3ccccc3C2=O)c1)N1CCCCC1"]
["11969620","CC(=O)N1C=Cc2ccccc2[C@H]1CC(O)=Nc1ncc(Cc2ccc(C)c(Cl)c2)s1"]
["31516164","CC(=O)N1C(=O)/C(=C(\\Nc2ccc(OCCN(C)C)cc2)c2ccccc2)c2ccc([N+](=O)[O-])cc21"]
["142157585","Cc1ccc(C(=O)NCCN=C(O)NN=C(O)Cc2ccccc2F)cc1"]
["107400328","CCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1"]
["162612523","C=CC[C@H](N)c1cccnc1Br"]
["175622776","CC(C)[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@@H](Cc1cccc(OC(C)C(C)(C)C)c1)C(=O)N1CCC[C@@H](C(=O)O)N1"]
["949723","CCO/C(O)=C1\\C(C)=Nc2sc(C(=O)c3ccc(C)cc3)c(N)c2C1c1ccc(C(=O)OC)cc1"]
["MCULE-6194962421","Cc1cccc(Cn2nc(Cl)c(N)c2C(F)(F)F)c1C"]
["MCULE-3935534184","Cc1cccc(-c2cc(F)cc(C)c2N=C(O)c2conc2C)c1"]
["99144123","CCOC(=O)Cn1nc(C2CC2)c(Oc2cc(C)c(C#N)c(C)c2)c1C1CC1"]
["187242792","CCS(=O)(=O)N1CC2CN(Cc3ccccn3)CC2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]
["165928816","Cc1ccc(CNC(O)=NCCCn2cnc3ccccc32)cc1F"]
["148532739","COC(C)(C(O)=NCCNS(=O)(=O)N(C)C)c1ccccc1F"]
["126243723","Cc1ccc(CCN(Cc2ccco2)C(O)=NCC2(C)COC2)cc1"]
["51328377","CC(C)CN(CC(=O)O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]
["15358097","CC1=C[C@H](c2n[nH]c(C3CC3)n2)[C@H](N=C(O)C(C)(C)C)S1"]
["MCULE-2795900326","Cc1cc(Cn2ncc(C3CC3)c2O)ccc1F"]
["161907933","COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2nc3ccccc3s2)cc1"]
["170887062","Cc1nn(Cc2ccc(C(=O)CC(=O)O)o2)c(C)c1Br"]
["33444836","Cc1ccccc1OC(=O)C(C)n1c2ccccc2c2ccccc21"]
["129245693","Cc1nc(N=C(O)C(C)(C)C2CCCC2)ccc1[N+](=O)[O-]"]
["90052645","COc1cccc2cc(C(=O)O)c(N)nc12"]
["153581663","CC[C@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1"]
["115265674","CCN(c1[nH]c(=NC)c(F)cc1F)C1CCCC1"]
["109781431","C[C@@H](Sc1nnc(-c2cccs2)o1)c1ccc(OC(F)F)cc1"]
["52136512","CCc1cc(Br)ccc1OCC(O)=Nc1ccccc1OC"]
["28478034","CC(C)n1cc(COc2ccc3c(c2)CCN3C(=O)CN(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C(F)(F)F)n1"]
["182540702","CCCCCCCCCN(C)Cc1cccc(Br)c1"]
["MCULE-7756671586","CN(C)CCCNC(=O)c1nonc1OCC(O)=NCCCO"]
["70166608","COc1ccc(C2C=CC3(O)C(O)=NCC3C2c2ccc(Cl)cc2)c(Cl)c1"]
["108673403","CN(C)CCCN(C(=O)C1=Cc2cc(Cl)ccc2OC1)[C@H]1CCS(=O)(=O)C1"]
["191965857","CCN1CCN(c2cncc(-c3cn(-c4cc(CC(=O)c5cc(C)n(C(C)(C)C)n5)cnc4C)nn3)c2)CC1"]
["170832138","CC(C)(C)OC(O)=NCC(O)C(O)c1cc(C#N)ccc1F"]
["123705947","O=[N+]([O-])c1cc(Cl)ccc1C(O)=Nc1cc(Br)ccc1F"]
["168428860","[B+]=C1C=NN(C)C1c1cc(N=C([O-])Nc2ccc(Cl)cc2)ccc1O"]
["59143943","C=CCN(C(=O)C1N(CCCCCO)C(=O)[C@@H]2[C@H](C(=O)N(CC=C)c3ccc(OCC)cc3)[C@@H]3CC(C)C12S3)c1ccc(Cl)cc1"]
["MCULE-1811055009","O=Cc1cc(CC2CC2)n(CCCO)n1"]
["MCULE-1009483470","CCn1nccc1-c1ccc(CN=C(O)C2CCN(S(C)(=O)=O)CC2)cc1"]
["144764763","CNCCC1CS(=O)(=O)c2cccc(Br)c21"]
["144541103","CN(CCOc1ccccc1F)C(O)=Nc1ccc2c(c1)N=C(O)CC2"]
["26594651","[CH2]CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF"]
["119673193","CS(=O)(=O)N(CCN=C(O)Nc1ccccc1)Cc1ccccc1"]
["152946535","CCN1C(=O)COc2ccc(N=C(O)N(C)[C@H](C)Cc3cc(C)ccn3)cc21"]
["161280812","C/C=C(C)\\C(=C/CNC(C)c1ccccc1)C(N)N"]
["145671400","C/C(=N\\OCCN)c1ccc(C[C@@H](C=O)N=C(O)[C@H](N)CCC(=O)O)cc1"]
["47840088","CC(C)c1ccc(S(=O)(=O)N2CCN(CC(O)=[NH+]c3ccccc3)CC2)cc1"]
["55433253","CN(c1cccc(Cl)c1)c1ncnc(Cl)n1"]
["53490612","CCC(CC)N=C(O)c1ccc2[nH]c(=N)sc2c1"]
["198834589","OC(=Nc1nnc(/C=C/c2ccco2)s1)[C@@H]1CCCN1"]
["110558151","Cc1ccc2nc(CC[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H](O)[C@]34C)[nH]c2c1"]
["98899228","CCC(Oc1ccccc1Cn1c(-c2cccc(OC)c2)nc2ncc(-c3ccccc3)cc21)C(=O)O"]
["146853226","COc1ccc(F)cc1CN1CCN(C(=O)c2coc(CN)c2)CC1.Cl.Cl"]
["MCULE-7131042692","CCOc1ccc(C(=O)NCC(c2cccnc2)S(=O)(=O)c2ccc(OC)cc2)cc1"]
["168153686","COC(=O)C1=C(O)/C(=C/c2ccccc2Cl)SC1=Nc1ccccc1"]
["96343100","NCC1(C(=O)N2CCN(CCC(=O)O)CC2)CC1"]
["121641809","CC(Oc1cccc(CO)c1)C(O)=NCc1cccnc1N1CCN(C)CC1"]
["MCULE-3712794065","CCC(CC)C(O)=NC1Cc2ccccc2N(C(=O)CCCc2ccc(F)cc2)C1"]
["MCULE-7191332056","COCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OCc2ccccc2C)cc1"]
["115659131","CC(Oc1ccccc1C(C)C)C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1"]
["54910970","Cc1nn(C)c(C(=O)N2NC(C(F)F)=CC2(O)C(F)F)c1Br"]
["61781416","C=CC(=O)OC(C)(C)[C@@]12CCCC[C@H]1C[C@@H]1CCCC[C@@H]1C2"]
["146743365","C=CCN=C(O)C(C)NCC1(N)CCC1"]
["MCULE-2082481529","OC(=Nc1ccccn1)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1OC(F)(F)F"]
["183345831","COc1c(C)cc(N2CCCCC2)cc1C"]
["19192902","O=[N+]([O-])c1ccc(=NCc2cn3cc(Cl)ccc3n2)[nH]c1"]
["66659675","O=c1cccc2c3sccc3c(C(O)=NCC#Cc3ccccc3)cn12"]
["32786391","COc1cccc2c1-c1ccc3c(c1C(c1cc(C)cc(N4CCOCC4)c1)O2)C(C)=CC(C)(C)N3"]
["185613657","CC(C)(Cc1ccc(F)c(F)c1)NC(O)Cc1cc(O)cc2c1OCC(O)=N2"]
["56320861","CCCNC(Cc1ccc(Cl)cc1)CC1CCCC1"]
["MCULE-7057776253","O=c1cc(CN2CCC(O)CC2)n(CCC2=CCCCC2)cc1OCCOc1ccc(Cl)cc1"]
["152657272","CCOc1ccccc1NC(=O)C(=O)N/N=C\\c1ccc(OCC(O)=Nc2cccc(Cl)c2)c(OCC)c1"]
["42416453","COCc1cc(=O)c2cccc(-c3ccccc3)c2[nH]1"]
["173618176","C=Cc1c(C2=C(C)Oc3ccccc3O2)c(/C=C\\C)c(C)n1C"]
["87132104","CC1CC(n2c(C3CC3)nc3cc(N)ccc32)CCN1C"]
["125830713","Cc1ccc(F)c(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)c1"]
["66987830","C1=c2ccccc2=N/C1=C1/Nn2c(CN3CCCCCC3)nnc2S1"]
["34002123","C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H](Cc1ccccc1[C@H](O)C(C)(C)C)N(Cc1ccccc1)C2(C)C"]
["68711783","COCC(C)(CN)N(C)C1CCCCCC1"]
["MCULE-8003821493","COc1cc(CC(O)=Nc2cc(C)no2)c(-c2ccnn2C2CCCCO2)cc1OC"]
["31063975","CCCc1nn(C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]
["188945759","CCOc1ccc(N)c(N(C)S(C)(=O)=O)c1"]
["104656310","CCOC(=O)[C@H](N)Cc1ccccc1CC"]
["74783882","O=C(O)c1cc(COC2=CCC(Br)C=C2)n(-c2c(Cl)cccc2Cl)n1"]
["121882314","CC(=CC(O)=NCCCCNc1ccccn1)c1cccc(F)c1"]
["MCULE-6909484240","CCOCCCN=C(O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(N(C)C)c(C)c2)cc1"]
["177948387","N=c1nc(-c2cn(C3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)cc[nH]1"]
["135864620","CC1CN(C(=O)CCC(=O)c2ccc(F)cc2)CC(C)N1"]
["103651150","COc1ccc2cc(CN=C(O)c3cccc(N=C(O)[C@@H]4C[C@@H]4C)c3)ccc2c1"]
["49182816","CCOc1ccc(NC(=O)C(C)N=C(O)C2CCN(CC(O)=Nc3ccc(Cl)c(C(=N)O)c3)CC2)cc1"]
["MCULE-5722159077","Oc1cc(O)cc(-c2ccc3ncnn3c2)c1"]
["59393768","O=C(O)[C@@H]1CC2(CN1)CC21CCC1"]
["21987604","COc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(c5ccccn5)CC4)c(O)ccc3c2=O)c1"]
["MCULE-8979149345","COC(=O)N1CCC(C(O)=Nc2cccc(-c3ccc(OC(C)C)cc3)c2C#N)CC1"]
["27808495","CCCCc1oc2ccc(C(=O)OC)cc2c1C1(c2ccc(O)cc2)OCCO1"]
["148730497","O=C1N(c2nc3ccccc3[nH]2)CC[C@]12CCc1ccc(C(O)=NO)cc1C2"]
["MCULE-4956457508","CCOc1cc(C(O)=NC(C)(C)C(O)=NCCc2cn3ccsc3n2)cc(OCC)c1OCC"]
["87150505","CCn1c(CNCC(C)(C)CO)nc2ccccc21"]
["179085044","C=C[C@H](O)C1O[C@@H](n2ccc(=N)nc2O)C(F)(F)C1O"]
["MCULE-4146939103","Cc1cc(-c2ccc(F)cc2)c(C)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1"]
["68817443","CCC#Cc1ccc(C=C(C)C)cc1"]
["176681194","COCOCC1C(C)(C)C=NC1(C)C"]
["13567823","CCCN=C(O)[C@H]1CN(C(=O)c2cccs2)C[C@H]1c1cccc(OC)c1OC"]
["90073861","Cc1cc(C)c2c(Br)c(CNC3CC3)[nH]c2c1"]
["162334294","CC(=O)C(C)(O)c1ccccc1O"]
["MCULE-9935606087","CCn1cc(Cl)c(C(=O)N2CCC(CN3CCOCCCN(C(=O)Cc4ccccc4)CCOCCOCCC3=O)CC2)n1"]
["141833138","CC(C)(CC(O)=NC1CCSc2ccccc21)N=C(O)OC(C)(C)C"]
["123648383","Cc1ccc(C(O)=Nc2cc(F)ccc2OCC(F)(F)F)c(C)c1"]
["170006709","C=CC/C(=C/C)c1ccccc1OS(=O)(=O)O"]
["172459042","N#CC[C@H](N=C(O)c1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)N1CCNCC1"]
["170321278","CC(C)C[C@@H](N=C(O)[C@H](N)CCc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1"]
["MCULE-6108522934","Cc1ccc2[nH]c(C)c(CC(=O)N3CCC(CNC(=O)c4cc5n(n4)CCC5)CC3)c2c1"]
["155500213","COc1cccc([C@@]2([C@H](C)CN(C)Cc3ccccc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c1"]
["51772687","CC1CCCC(CO)(CN(C)CC2CC2)C1"]
["175692357","CCOC(=O)c1cncc(-c2ncc3c(n2)N2CCOCC2C(=O)N3Cc2ccc(SC)cc2)c1"]
["MCULE-4720748362","OC(CSc1ncccn1)=Nc1cncc(-c2ccc(N3CCCC3)nc2)c1"]
["MCULE-7745569861","CN=C(O)c1cccc(-c2cc(F)cnc2C(O)=NCc2ccc(C#N)cc2)c1"]
["CSSS02601182116","N=c1ccc(Cc2nc(Cc3cccnc3)no2)c[nH]1"]
["MCULE-1115494126","CC(=O)N1CCC(C(O)=Nc2ccc(F)c(-c3ccc(C(N)=O)cc3)c2)CC1"]
["113310062","Cc1noc(CCNC(C)C(O)=NCCC(C)C)n1"]
["33558373","CCCCC(=O)C(O)(CC)CC"]
["114973043","CCNc1cncc(C(O)=NCC2CC2C)n1"]
["78078395","CC1CC2=CC=CCC2C1C"]
["9458766","COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cc(Br)ccc1OC"]
["10778034","C[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)N1CCc2ccccc21"]
["161556901","Cc1ccc2c(c1)C(OC(C)C)CC1(CCN(C(=O)c3ccc(S(=O)C(C)C)c(C)c3)CC1)O2"]
["26233373","O=C(Cl)c1ccc(N=C(O)c2ccc(F)cc2F)nc1"]
["200452877","C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N=c1ncc2cc(C(F)F)nc(N[C@H]3CCCC3(F)F)c2[nH]1"]
["89595231","NNc1nc(C23CC4CC(CC(C4)C2)C3)nnc1N"]
["180088156","CCCCCCOC(O)=NC(N)C1=CC=C(NCc2nc3cc(C(=O)N(CCC(=O)OCCF)c4ccccn4)ccc3n2C)CC1"]
["130009118","CCC(=O)N1CCC(C(=O)OC(C#N)C(C)(C)C)C1"]
["MCULE-8091171703","Cc1cncc(N=C(O)CCc2ccccc2-c2ccc(C#N)s2)c1"]
["MCULE-4980080418","Cc1cc(C(=O)N2CCC(CCN=C(O)c3cnn(C)c3)CC2)c(C)n1C(C)C"]
["20704500","CCn1c([C@H](C)N=C(O)/C=C/c2ccc(F)cc2)nc2ccccc21"]
["177424967","COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c(=NCc4ccc(Br)cc4)sc3C12"]
["MCULE-6043381703","COc1cc(N=c2[nH]c(-c3cccc(C)c3)nc3c2CCCC3)c(OC)cc1N=C(O)c1ccccc1"]
["85961197","CCC(C)C(=O)CN1CCC(C(F)(F)F)CC1"]
["118454970","CCc1noc(-c2ccc(CCNC(=NC)NCC(C)c3ccsc3)cc2)n1"]
["MCULE-4582291139","Cc1ccc(CCC(=O)Oc2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)cc1"]
["148019153","CS(=O)(=O)N1CCN(C(=O)CCC2CCCN2)CC1.Cl"]
["159554053","CC(=O)N1CCN(C(=O)N2CCC(N=C(O)COc3ccccc3Cl)CC2)CC1"]
["111422535","COCCCN(C)Cc1c[nH]c(=NN)cn1"]
["MCULE-8864445205","COc1cc(Br)ccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(C2CCCC2)C1=O"]
["182263599","Cc1ccc(S(=O)(=O)OCCCCC#N)cc1"]
["120075413","CCC(C)CN(CC)C(=O)c1cc(S)ccc1Cl"]
["169074412","N#Cc1ccc(Oc2cccc(-c3nc(S)nc4nc(S)nc(S)c34)c2)cc1"]
["126224526","CC1CCCC(CN=C(O)NC(C)c2nnc3ccccn23)C1"]
["87789062","CCc1ccc(C(=O)CCO)cc1"]
["42826848","CCCCN(CCCC)CCCOc1ccc(/C=C/c2cccc(OC)c2)cc1.Cl"]
["58346395","COc1ccc(N=C(O)C(C)(C)C(C)(C)N)cc1F"]
["48996122","COc1ccc(N=C(O)c2cc(C)ccc2-n2ccnc2)cc1OCc1ccncc1"]
["MCULE-5715238995","Cc1nnc(C(O)=Nc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C#N)o1"]
["147000808","I.N=C(NCC1CCC1)NCC1CCCC(O)=N1"]
["86827114","COC(=O)CCCS(=O)(=O)Nc1c(N)cc(F)cc1F"]
["MCULE-6866348954","O=C(c1ccccc1)N1CCC2(CCN(Cc3cncs3)C2)CC1"]
["19762584","COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1"]
["MCULE-6420377880","O=C1CCCN1CCC(O)=Nc1cccc2ocnc12"]
["83880537","COc1ccc(-c2nnc(C(C)Sc3nnc(-c4ccc(C)cc4)o3)o2)cc1"]
["73550744","CN(C)CCN1C=CC=[N+]1"]
["138702212","CCC(CC(O)=NS(=O)(=O)c1ccc(OC)c(Br)c1)C(C)C"]
["MCULE-2647882595","Cn1cc(-c2ccc(CC(=O)O)cc2)c(C(=O)N2CCN(C(C)(C)C)CC2)n1"]
["3853757","Cc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1"]
["43149239","NC1(c2cccc(-c3ccc(C=O)s3)c2)CC1"]
["53513272","COCC(NCc1c(Cl)cccc1Cl)C(C)C"]
["10086246","CCOC(=O)Cn1/c(=N/C(=O)c2ccn(C)n2)sc2c(OC)ccc(OC)c21"]
["100898231","C[C@H](Nc1cc2ccc1CCc1ccc(cc1)CC2)C1CCCCC1"]
["62914907","CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3C(O)(CN=C(O)c5ccccc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43C65)C2)C1"]
["183744523","CCCCCCCCCCCCCCCC(CCCCCC)CN=[N+]=[N-]"]
["43523631","C[C@H](Cc1cc(F)cc(F)c1)c1ccccc1"]
["147149389","Cl.NC[C@@H]1CN(CC(=O)N2CC(O)=Nc3ccccc32)C[C@H]1c1ccccc1"]
["33398558","CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1)C(O)=N[C@H](C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(=O)O)C(=O)O)C(C)C"]
["MCULE-5068775524","Cn1cc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)c2ccccc21"]
["MCULE-2757306023","N#Cc1ccc(F)c(-c2cc(C(O)=Nc3cnccn3)cc(F)c2F)c1"]
["197199333","CC(C)(C)OC(O)=NC(C)(C)C(CC(=O)O)N=CO"]
["305043","CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1"]
["19333772","CC[NH+](CC)CCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1"]
["164799096","COc1ccc(-c2noc(CN=C(O)C(C)Oc3ccc(Cl)cc3)n2)c(OC)c1"]
["70404878","CCOC(=O)C(C(Cl)c1ccccc1)N1CCN(c2ccccc2)CC1"]
["144161094","Cc1ccc2c(c1)C(N=C(O)CCC1CCOCC1)C(C)C2"]
["43316021","O=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCC(Cc2ccccc2)CC1"]
["81877284","Cn1cc(/C(CC(c2ccc(C(O)=NC3CCCCC3)c(F)c2)c2ccccc2Cl)=N/O)ccc1=O.O=C(O)O"]
["149164252","COc1cc(C2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1O"]
["MCULE-5974691089","COCCNc1ncnc2c1cc(C(=O)N(C)CCO)n2CCOC"]
["55063298","CCOc1ccc(N[C@H](C)C(O)=Nc2ccc(Cl)cc2Cl)cc1OCC"]
["20314840","CCCOc1ccc([C@H]2[NH+]=N/C(=N/C(O)=[NH+]c3cccc(Cl)c3)S2)cc1"]
["21644837","CN(C)c1ccc(-c2nnc(N=C(O)[C@@H]([NH3+])Cc3ccccc3)s2)cc1"]
["68474752","NC1(CC2CCCc3ccccc32)CCCC1"]
["49921203","CC(C)OCC(O)Cn1cccn1"]
["173809606","N=CC(=CN)NC(=O)c1cc2ccc(-c3nccc(Nc4ccc5n[nH]cc5c4)n3)cc2[nH]1"]
["171806506","COc1ccc(-n2c(C#C[Si](C(C)C)(C(C)C)C(C)C)nc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)cc1Cl"]
["152425694","CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1cc(Cl)cc(Cl)c1"]
["118502518","CC1(CNC(=N)Nc2ccc(OC(F)(F)F)cc2)CCCCC1O"]
["13197980","COc1ccccc1-n1c([C@H](C)N(CCc2ccccc2)C(=O)C2CCCCC2)nc2ccccc2c1=O"]
["80325896","COc1ccsc1C(O)=NCc1ccnc(SC)c1"]
["112977010","CNCCn1cc(S(=O)(=O)Nc2c(C)cccc2F)cn1"]
["94365290","CC(O)CC(C)NCCC#N"]
["198008871","Cc1cccc(C(N=C(O)c2cccc(-n3ccnc3O)c2)c2cccc(C)c2)c1"]
["142617044","CC(C(=O)OC(C)(C)C)N(C)CCCCN1C(=O)c2ccccc2C1=O"]
["5209454","CCC(=O)N1CCC[C@H](C(O)=NC[C@H](O)c2ccc(F)cc2F)C1"]
["148051215","CC1(CNc2nccc(C(C)(C)C)n2)CCNCC1"]
["3887297","Cc1nn2c(nnc3c(=O)n(-c4cccc(Cl)c4)ccc32)c1-c1ccccc1"]
["106107868","Cc1ccc2c(c1)OC(C)(C)C[C@]2(C)N"]
["144725424","Cc1ccc(-n2c(C3CCN(C)C3)nc3cccnc32)o1"]
["90576426","O=[N+]([O-])c1cccc(C=NN(Cc2ccccc2)C2CCCCC2O)c1"]
["160277055","Cc1nc(C2(NS(=O)(=O)CCc3cccs3)CCCC2)no1"]
["MCULE-1004287508","CON(C)C(=O)c1cccc(-c2cnc(C(=O)NC3CCS(=O)(=O)CC3)c(C)c2)c1"]
["26478413","O=C1CCCCC1(Cc1ccccn1)c1ccccc1"]
["164693252","Cc1ccc(F)c(-c2ccc(F)c(C)c2F)c1"]
["173721561","CCc1cccc(C)c1-n1nc2c(c1-c1cc(C)c(C)c3[nH]ccc13)CN(c1ncc(C(C)C)cn1)CC2"]
["182492930","Cn1c(N=[N+]=[N-])cc2c(N3CCCC3)nc(N3CCCC3)nc21"]
["4706346","C[C@H]1CN(c2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C[C@H](C)O1"]
["MCULE-9766498957","CCOC(=O)c1ccccc1N=C(O)C(CC)N=C(O)c1cc(-c2ccccc2)on1"]
["MCULE-6629855893","Cc1cccc(C)c1C(O)=Nc1cc(-c2cccnc2)cnc1C"]
["135521561","CS(=O)(=O)c1ccc(-c2noc(CC3CC4CCC3C4)n2)cc1"]
["183145228","CC(C)n1c(=O)n(C(O)=NN=[N+]=[N-])c2ccccc21"]
["42355489","OC(CN1CCC[C@H]1c1ccc(Cl)cc1)=Nc1cccc(C(O)=NC2CC2)c1"]
["122586613","CC(O)=Nc1cccc(N=C(O)N2CC(C)C3CCCCC32)c1C"]
["115578737","CCCOc1cccc(C2/C(=C(\\O)c3ccc(Br)cc3)C(=O)C(=O)N2c2cccc(OC)c2)c1"]
["12272570","CN1C(=O)C=C(CN(Cc2c(F)cccc2Cl)C2CC2)[NH+](C)C1=O"]
["69184101","COC(=O)c1c(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)cc3Cl)C2=O)sc(C)c1C"]
["193790553","COc1cc(C[n+]2ccccc2C=O)cc(OC)c1OC.[Br-]"]
["1885735","Cc1csc(=O)n1CCC(O)=N[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1"]
["175705176","NC(=O)c1oc([N+](=O)[O-])cc1-c1cccc(N)c1"]
["61601267","CC(C)(C)c1ccc(OCCn2c(-c3cccc(Br)c3)nc3ccccc32)cc1"]
["158924365","CN=C(O)[C@@H]1CCC[C@H]1NC[C@@H]1CCC(C)(C)O1"]
["MCULE-1584689819","Cc1ncc(-c2c[nH]nc2C)cc1N=C(O)CCC(=O)c1ccccc1"]
["108406069","CC(C)CN=C(O)C[C@H](CCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12"]
["89720879","Cc1cc(N2CCOC(CC(=O)O)C2)ccc1Br"]
["147330402","C[C@H]1OCCN[C@@H]1C(O)=Nc1cccc(Cn2cncn2)c1.Cl.Cl"]
["55379590","COc1cc([N+](=O)[O-])ccc1N=C(O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2"]
["101760906","CN(CC(=O)O)C(=N)NSCC(=O)O"]
["197679991","C#CC(N=C(O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1"]
["22857745","CCCCCCCC[N+](C)(C)C.[Cl-]"]
["170166737","C=CS(=O)(=O)N(C(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1"]
["138081493","OC(=Nc1c(F)cccc1F)c1cnn(Cc2ccccc2)c1"]
["MCULE-4269649327","COc1ncc(-c2cc(F)cc(C#N)c2)cc1C(=O)Nc1cccnc1C"]
["60453405","CNC(CSC(C)(C)C)Cc1cccc2ccccc12"]
["2509437","CCn1c(=O)c(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c(C)n(-c2ccccc2)c1=O"]
["48669631","C=C(CC)COc1c(C)cc(CC(C)N)cc1C"]
["MCULE-3599567981","COc1ccc(C=CC(=O)N(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"]
["121700482","Cc1cc(=NC(=O)CC(C)c2cccc(F)c2)[nH]o1"]
["MCULE-8661975162","COc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)c3cc(-c4ccccc4C#N)cnc3OC)CC1)C2"]
["18199217","COc1ccc(C2=C/C(=C3/N=C(c4ccco4)OC3=O)c3ccccc3O2)cc1"]
["67228886","CC/C(=C\\CN1CC2CCC1C2)C(=O)O"]
["154512557","COc1cc(N2CCOCC2)ccc1/C=N/N=C(O)c1ccccc1-n1cccc1"]
["50623761","CCOc1ccccc1N=C(O)C1CCCN1C(=O)C1CCN(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1"]
["26325917","COC(=O)CCCC=CC[C@@H]1CC[C@@H]2S[C@]12NS(=O)(=O)c1ccccc1"]
["95355287","Cc1ccc(C(C)NC(O)=NCc2ccc(S(=O)(=O)N3CCCC3)cc2)o1"]
["MCULE-6536843748","Cc1cc(C)cc(C(O)=Nc2nc3cc(-c4cccc5c4cnn5C)ccc3o2)c1"]
["MCULE-5222138976","CCOC(=O)c1ccc(CNC2=C(c3ccc(Br)cc3)C(=O)N(C3CCCC3)C2=O)cc1"]
["CSSS02610286022","Cc1nccc(-n2ccc(=NCc3ccns3)[nH]2)n1"]
["165488840","N=C(O)c1cnc(Oc2cccnc2Cl)c(Cl)c1"]
["169039823","Cc1cccc(COc2ccccc2C2C(C#N)=COC(N)=C2C#N)c1"]
["108748444","CO[C@@H](C(O)=NNC(=O)c1ccc[nH]1)c1ccccc1"]
["135373596","COc1cc(C(=O)N(C)CC(O)=Nc2cccc(C)c2C)ccc1Cl"]
["54806213","Cc1ccc(-c2nn(-c3ccccc3)cc2C(O)=NCCN2C(=O)CN=C2O)c(C)c1"]
["31850128","COc1nc2cc(C(C)(C#N)Cc3cccc(C#N)c3)ccc2c2c1CCCC2"]
["169229759","CC(C)c1cc(Cl)cc(C(C)C)c1N=C(O)NS(=N)(=O)c1ccn(C(C)C)n1"]
["89066596","NCC(CC(=O)N1CCCCC1)c1ccccn1"]
["147345722","COc1ccc(Cl)cc1N=C(O)CCN1C[C@@H](C(F)(F)F)[C@H](C(=O)O)C1.Cl"]
["100235743","C1CCCN(C2CNCCCN2)CC1"]
["1931265","COc1ccc(S(=O)(=O)N(C)C)cc1N=C(O)CNc1ccc(Cl)cc1Cl"]
["107202516","Cc1ccc(S(=O)(=O)N(CCN)C[C@@H]2CCCO2)cc1"]
["160275304","CCN1CCC(N(C)C(O)=Nc2cnns2)CC1C"]
["160390514","CC(N=C(O)N1CC(C)(C)OC2(CCOC2)C1)C(=O)N1CCCCC1C"]
["127730171","Cc1ccn(CCCS(=O)(=O)c2ccccc2)c(=O)c1"]
["96551773","CCCCCCCCCCCc1ccc2c(S(=O)(=O)[O-])ccc(CCCCCCCCCCC)c2c1.CCCCCCCCCCCc1ccc2c(S(=O)(=O)[O-])ccc(CCCCCCCCCCC)c2c1.[Ca+2]"]
["97269147","CCOC(=O)C1=C(c2ccccc2)C(=O)[C@H]2[C@H]3C[C@@H]([C@@H]12)[C@@H](O[Si](C)(C)C(C)(C)C)C3"]
["106163909","CC[C@H](O)CNc1cc(C(F)(F)F)ccc1F"]
["170836406","CC(=O)OCC1OC(O[C@]2(COC(=O)C(C)C)OC(COC(C)=O)C(OC(=O)C(C)C)C2OC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)C"]
["79306907","CC[Si](C#Cc1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1C#C[Si](CC)(CC)CC)(CC)CC"]
["97080157","N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@H](Cc1c[nH]c2ccccc12)C(O)=NC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2"]
["32966930","Cc1cccc(N2CCN(C[C@H](O)CN=C(O)c3nc(C)n(-c4ccccc4)c3C)CC2)c1C.Cl.Cl"]
["MCULE-9261754836","COc1cc(OC)c(-c2cc(C)cc(C(O)=Nc3nncs3)c2)c(OC)c1"]
["MCULE-7150839318","CS(=O)c1ccc(-n2nc(C3(C)CC3)c(C3CCC3)c2Cl)cc1"]
["121916640","Cc1ccc(C(=O)NN=C(O)c2ccc(OCc3ccccc3)nc2)o1"]
["25973644","O=NN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]
["187959485","C=C/C(=C\\C=C(/C)CCl)C(CC(C)(C)CC)C(C)(C)C(C)(CC)CC(c1ccccc1)C(C)(C)C(C)(C)CC(C(=O)OCCOC)C(C)(CC)C(C)(C)CCC(c1ccc(CN(C)C)cc1)C(C)(C)C"]
["61868269","CN(C)c1cccc(Oc2ccc(F)cc2C(=O)O)c1"]
["13065855","CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N(CC)c2cccc(C)c2)cn1C"]
["MCULE-9469528195","Cc1ccc(C)c(CC(O)=Nc2c(-c3ccc(C(N)=O)cc3)cc(F)c(F)c2F)c1"]
["125571069","CNCCCN=C(O)c1cc(C)n(-c2ccc(F)cc2)c1C.Cl"]
["159281292","Cc1c(F)cc(C(=O)Cl)cc1Br"]
["63798031","C[C@@]12C(=O)N(c3ccccc3)C(=O)[C@@H]1C[C@@H]1C(=CC[C@@H]3C(=O)N(CCc4ccc(O)cc4)C(=O)[C@@H]31)[C@@H]2c1ccccc1O"]
["114630161","Cc1nc(C(=O)N(C)c2ccc(O)cc2)ccc1C(=O)O"]
["8233162","CCSc1nnc(N=C(O)CCCOc2ccc(Cl)c(C)c2)s1"]
["46238894","CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc(C)c(C)cc2s1"]
["MCULE-8758679700","COc1cc(N=C(O)C2CC(F)CN2C(=O)OC(C)(C)C)ccc1-c1c(OC)cccc1OC"]
["29318240","Cc1c(S(N)(=O)=O)cc(-c2ccc(N3CCOCC3)c(C(C)(C)C)c2)n1CC1CCCCC1"]
["88967174","OCCNCCCc1ccc(Cl)cc1Cl"]
["46827313","CN1CCN(S(=O)(=O)N(CCCCCCC(O)=NO)c2ccc(-c3ccc4c(c3)C=CC4)cc2)CC1"]
["140299158","CSc1ccccc1C(O)=NNc1ccc(C)cc1"]
["122879069","Nc1c(C(O)=NCc2cc3cc(Br)ccc3[nH]2)cccc1[N+](=O)[O-]"]
["MCULE-1031447265","CCC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(O)=NCc1ccccc1OC(C)(C)C"]
["150044421","CCC(CC)C(CC)(CC)[Si](C)(C)OC(CC)(CC)[Si](C)(C)CC"]
["81870409","N#Cc1nc(NCCC2CC2)c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n1"]
["119812925","Cc1ccc2cc(C(=O)NCCCN(C)C)[nH]c2c1"]
["64202260","CCC(C)C1CN(CCc2cccc(C)c2)C(C)CN1"]
["198333053","CCCCCCCCCC(=O)OCC(COC(=O)CC12CC(C)C[C@H](CC(CC)C1)C2)COC(=O)OCCCN1CCCC1"]
["133025702","O=C(C1CCCCC1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1"]
["12668375","C[C@H](N=C(O)c1ccccc1N=C(O)CSc1nnnn1C1CCCC1)c1ccccc1"]
["150102663","COC(O)=NC(CN1CC(C)CC1c1nc2ccc(-c3ccc4cc(-c5cnc(C6CC(C)CN6C(=O)OC(C)(C)C)[nH]5)ccc4c3)cc2[nH]1)C(C)C"]
["2999883","O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2nnsc2Cl)CC1"]
["84847461","CCC(C)(C)C1(O)CC1C"]
["22419859","C[C@H](N[C@H](C)c1nc(O)c2c(-c3ccccc3)csc2n1)c1cccs1"]
["82082449","CCCN(CC)C(=O)C1CCC2=C1C(C)c1cnn(-c3ccc(F)cc3)c1C2"]
["165709076","CC(C)c1nnc(N2CCC(C)(C)S(=O)(=O)CC2)s1"]
["102573727","OC(CCCC[C@H]1SC[C@@H]2N=C(O)N[C@@H]21)=NC1CC1"]
["111806274","CCCNC(c1ccc(F)cc1F)c1ncccc1Cl"]
["83706837","CCC(=O)c1ccc(OCC(=O)OCC(=O)C=C2N(C)c3ccccc3C2(C)C)cc1"]
["44437825","CCN(CC(=O)N(C)C)C(=O)[C@@H]1Cc2ccccc2N1"]
["152932445","N=c1nc(N2CCC(N3CCSCC3)CC2)cc([C@@H]2CCOC2)[nH]1"]
["7890578","CCOc1cccc(C[NH2+]C[C@H](O)COCc2ccc(OC)cc2)c1"]
["198324109","CO[C@@H]1CN(Cc2c[nH]c3c(=N)[nH]cnc23)CC1CSCc1ccccc1"]
["176886933","C1=Cc2c(n(-c3cc(-c4ncccn4)cc(-c4ncccn4)c3)c3c2ncc2c4ccccc4sc23)CC1"]
["140980867","OC(C=Cc1ccncn1)=NC1(c2cccc(Br)c2)CCC1"]
["151779347","Cc1cnc(C(O)=N[C@@H]2CCCCC/C=C/[C@@H]3C[C@]3(C(O)=NS(=O)(=O)C3CC3)N=C(O)[C@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1"]
["62811290","Cc1cccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CN=C(O)Oc2cccc3cccnc23)c1"]
["15845402","Cn1ccc(=NC(=O)CCc2ncc(-c3ccccc3Cl)o2)[nH]1"]
["177926142","COc1cccc(C2CCN(C/C(C=NCc3ccccn3)=N/N)CC2)c1"]
["10063597","CC(O)=NCCC(O)=Nc1cc(C#N)ccc1C"]
["139240170","CC(=O)N1CCc2cc(NC(=O)N3CC(C)OC(C)(C)C3)ccc21"]
["33899353","CCOc1cc(C(Nc2ccc(C(N)=NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C(O)=NS(=O)(=O)N(C)C)cc2c(C)coc12"]
["140886298","CC(C)C(NC(=O)c1ccc(F)cc1)C(O)=NCc1ccccc1OCCO"]
["21802672","C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(O)=NC[C@@H](c1cccs1)N(C)C"]
["121148126","Cc1nc(C(C)C)sc1C(C)N(C)C(O)=NC(C)c1nc2ccccc2[nH]1"]
["125200903","COC(=O)c1ccc(OCCN(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1"]
["110453331","O=C(O)c1cccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)c1"]
["47092844","CC1=C2C(=NC(=O)CS[C@H]2c2ccccc2OCc2ccccc2Cl)N(c2ncccn2)N1"]
["MCULE-7411660495","CCCCCS(=O)CCCCOc1ccc(C)cc1"]
["671314","Cn1c(=O)c2nc(N=Nc3ccc(N)cc3N)[nH]c2n(C)c1=O"]
["94639006","Cc1ccc(C)c(CC(CC2CCS(=O)(=O)C2)NN)c1"]
["131733636","CCN(CC)S(=O)(=O)c1ccc(CCN=C(O)[C@@H](C)N)s1.Cl"]
["MCULE-9522560312","CN1CCN(c2ccc(-c3c(F)cccc3NC(=O)c3ccc(C#N)cc3)cn2)CC1"]
["179681863","CCC/C=C(/OCC)[C@H](C)F"]
["MCULE-2559317321","Cn1[nH]nnc1=NC(=O)c1ccc2cc(-c3ccncc3)ccc2c1"]
["84994369","CCCCc1oc2ccccc2c1CNCC1(CO)CC1"]
["188842521","C=N/C(=C\\C=C/Cc1ccc(OC)nc1)C(=O)N1CCc2cc(C(=C)OCC)sc2-c2ccccc21"]
["31754106","CC(C)NCc1cnc2sc(-c3ccccc3N=C(O)c3cncc(-c4ccccc4)c3)nc2c1"]
["4369171","COc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1"]
["6065035","N=C1NC2=N[C@@H](c3ccccc3)C[C@H](c3ccccc3)N2N1"]
["143819463","CN(C)C(=O)c1cc(N=C(O)N2CCCN(CC(F)(F)F)CC2)ccc1F"]
["MCULE-9507696419","Cc1ccc(C)c(CC(O)=Nc2ncc(C)cc2-c2ccccc2)c1"]
["150948202","Cc1ccccc1N1C(=O)C2=Nc3ccccc3C2=N[C@@H]1SCC(=O)O"]
["128833064","CCC1CCCC(CNCC(C)(O)CN(C)C)C1"]
["131679736","CCCC(=O)Nc1ccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cc1"]
["27384487","CC(=O)O.NCCCn1cc(-c2nc3c(-c4ccccc4)cccc3[nH]c2=O)c2cc(N(Cc3ccccc3)Cc3ccccc3)ccc21"]
["148379799","COc1ccc(CN=C(O)N(C)CC(C)C(=O)O)cc1[N+](=O)[O-]"]
["142959453","CCN1CCOC(C(O)=NCCC(C)N)C1.Cl.Cl"]
["20300182","CC(C)(C)c1ccc(-c2nnc(S)n2/N=C/c2c(F)cccc2Cl)cc1"]
["177179030","CC(C)(C)OC[C@H](N=C(O)OC(C)(C)C)C(O)=NCCc1ccc([N+](=O)[O-])cc1COS(C)(=O)=O"]
["154965499","COc1ccccc1C(=O)N1CC[C@H](S(C)(=O)=O)C1"]
["54199782","C=C(NN=C(O)CNc1cccc2ccccc12)c1ccc(F)cc1"]
["74474359","CCCCCC(CN(O)C=O)C(O)=NNc1ncc(N(C)C)c(-c2ccccn2)n1"]
["2813683","O=Cc1cccc(OCCC(O)=Nc2ncn(Cc3ccccc3)n2)c1"]
["108378766","OCCN1CCOC[C@]2(C[C@@H](CNc3ncccc3F)CO2)C1"]
["182868475","CNc1ccccc1N(OCCOC)S(=O)(=O)O"]
["12142894","C=C(C)CN(CC)CC(=O)[NH2+]c1cc(C)nn1C"]
["55561422","CC1(C)OB(c2ccc(S(C)(=O)=O)cc2F)OC1(C)C"]
["183456610","CCOC(C(=O)O)=C(CC)c1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1"]
["92170634","CCNc1cc(OCCc2scnc2C)nc(COC)n1"]
["19996317","COC(=O)c1ccc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)[nH]2)s1"]
["133235269","COCCCC(C)C(=O)N1CCCC1c1ccc(COC)o1"]
["166943724","CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC"]
["115612073","COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(Oc4ccccc4)cc3)C2c2cccs2)c(OC)c1"]
["194793406","Cc1cc(F)cc(F)c1S(C)(C)Cl"]
["109539824","COc1cccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1OC"]
["152401889","CCOc1cc(/C=N\\N=C(O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1cccc2ccccc12"]
["115004936","CC(CN)CN1CCCN(C(=O)c2ccc(O)nc2)CC1"]
["MCULE-7121018837","COc1ccc(C(O)=Nc2ccc(F)c(-c3cnc(F)cc3C)c2F)c(F)c1"]
["MCULE-9597569325","CCOc1ccc(-c2cnc(C(=O)OC)c(F)c2)cn1"]
["54479560","CCSc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)ccc1OC(C)C"]
["197696367","CC1(C)CC(NC(O)=NCC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C(=O)O1"]
["MCULE-5477575564","COc1nccc(-n2nc(C3CNC3)c(I)c2Cl)c1F"]
["102428905","CCCN=C(O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O"]
["156446338","O=S(=O)(N1CC[C@H](CO)C1)C(F)(F)F"]
["147251130","Cl.NC1(c2noc(/C=C/c3ccc(Cl)s3)n2)CCC1"]
["78580092","Bc1cccc(/C=C/S(=O)(=O)N(Cc2ccccc2)c2cccc(Cl)c2)c1"]
["161370593","C=C(C#N)c1c(-c2cc(CNS)ccc2CC)[nH]c2c1CC(C)(C)CC2"]
["97458346","CCCCCCCCCCCCOc1ccc(C#CC#Cc2ccc(OCCCC)cc2)cc1"]
["178466608","c1ccc2c(c1)B1c3cccc4c3N3C(=[N+]1c1ccccc1-2)c1ccccc1N3C1c2c([n+]3ccc5ccccc5c3c3ccccc23)C41"]
["67781506","CCCC(O)C(CC)N1CCCC(C)CC1"]
["183686548","COC(C)CN(Cl)c1c(C)ccc(C(C)=O)c1C"]
["MCULE-1080059222","Cc1nn(Cc2ccccc2)c2c1C(c1cccc(F)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2"]
["724245","CCOC(=O)Cc1cc(O)n2nc(C)c(-c3ccccc3)c2n1"]
["MCULE-4470819752","CC(C)c1nn(Cc2ccc(C(C)(C)C)cc2)c(N)c1C#N"]
["103685114","CC1=NN(c2ccc(C)cn2)C(=O)[C@H]1CCO"]
["113179558","CCC(CC)C(N)CN=C(O)CC(F)(F)F"]
["55894242","CCC(=O)C(=O)OCCCOCC(O)C(OCCCOC(=O)C(=O)CC)C(O)COCCCOC(=O)C(=O)CC"]
["126098396","OC(=NC1CCN(CC(F)(F)F)CC1)c1cc(Cl)cc(C(F)(F)F)c1"]
["86680543","CC(C)OCCN(C)C(=O)C1(N)CCC1"]
["MCULE-2330637091","CCCc1nn(Cc2cccc(Cl)c2)c2c1C(c1ccc3c(c1)OCCO3)C(C(O)=NC(C)CC)=C(N)O2"]
["118551422","N=C(NCCC(F)(F)F)N1CCSCC1"]
["178277477","CCCCN(CCCCCC(O)=N/N=C\\c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)Cc1ccccc1"]
["200610617","O=c1c(NCc2ccccn2)c(-c2ccc(C3CCNCC3)cc2)c1=O"]
["87401485","CCCOc1cncc(C(O)C2(C)CCCO2)c1"]
["77069101","COC(=O)CCCCN1C(=O)C(O)(C(C)C=CCCn2cc(CCO)nn2)c2cc(N3CCOC3=O)ccc21"]
["68634836","CCNCCC1(CCc2cccs2)CCCC1"]
["147119729","Cl.NCCC1CCCN(Cc2csc(-c3ccccc3)n2)C1"]
["182183910","CCCCC(O)/C=C/N=[N+]=[N-]"]
["44197707","Clc1nc(N2CCCCC2)[nH]c(=NCc2nccs2)n1"]
["84613704","NC(=O)c1ccc(=NC2CCN3CCCC23)[nH]n1"]
["172192772","C#CCC(CC#C)COC(=O)C(C)c1ccc(CC(C)C)cc1"]
["160010752","CCC(OC1CCCC1)C(=O)N1CCC(c2cc(C)[nH]n2)CC1"]
["22917781","Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)C2c2cccc([N+](=O)[O-])c2)s1"]
["173465326","C=C/C=C(\\C=C)Nc1cc(=O)c2cnc(N(CC)CC)cc2n1-c1ccccc1"]
["148483051","CC(C(=O)O)N(CC(=O)N(C)CCOc1ccccc1F)C1CC1"]
["156185515","CC(C)(C)[Si](C)(C)OCCN1C[C@@H](c2ccc(C#N)cc2)Cc2ccccc21"]
["4553111","CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2n[nH]c(=N)s2)C1"]
["44916926","CCCCCCCCCCCCCCCCCC(O)=N[C@H]1CO[C@H]2OC(COC(=O)CCC(=O)O[C@H](CCCCCCCCCCCCCC)[C@H]1OC(C)=O)[C@H](O)[C@H](C)C2OC(=O)c1ccccc1"]
["88189169","N=C(NO)c1cc(F)ccc1NC(=O)c1ccncc1O"]
["176338225","Cc1ccc(N2Cc3c(C4CCC4)n[nH]c3CC2C)cc1F"]
["174163697","COC(=O)c1ccc(CN(Cc2ccc(CN)cc2)Cc2ccc([N+](=O)[O-])cc2)cc1"]
["28502268","CC(N=C(O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(S(C)(=O)=O)C/C2=C\\c1ccc(F)cc1)c1ccccn1"]
["195411858","C/C(=C\\C=C/CC1=CC2C(=C2C(F)(F)F)C=C1)CN1CCN(C)CC1C"]
["136968867","CCOCCCN=C(O)C(C)Nc1ccccc1OC"]
["47434820","CNc1ccc([N+](=O)[O-])cc1C(O)=Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1"]
["47867126","CC1CN(CC(F)(F)F)CCCN1"]
["75419269","CC(CO)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc([C@H]3OC(C)(C)N(C(=O)C(F)F)[C@@H]3CF)cc2)cn1"]
["95620595","Cc1ncc(CN=c2[nH]cc(N)c(C)c2Br)s1"]
["98070335","CCCCn1c(=O)c2ccc(C(F)(F)F)cc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21"]
["166756236","CC1(C)C2=C(C(=O)c3ccc(OCC4CCNCC4)cc31)C1CC=C(Br)C=C1N2"]
["23399764","CC(C)N1CCc2c(sc(N=C(O)c3ccc(Oc4ccccc4)cc3)c2C(N)=O)C1.Cl"]
["MCULE-2982396965","CC(=O)Oc1ccc(CC(N=C(O)C=Cc2ccccc2[N+](=O)[O-])C(O)=NCc2cccc(C)c2)cc1"]
["162592820","CO[C@@H]1C[C@H]2C(O)OC[C@H]2O1"]
["52081490","CCC(CC)NCC(O)=Nc1ccccc1OC"]
["84144529","CCCCOc1cscc1Br"]
["91960963","COc1cccc(F)c1C(O)C1=CCCO1"]
["198521587","Cc1nc(Oc2cc(C#N)ccc2-c2ncc([C@@H](F)CN)cn2)cc(N2CCOCC2)n1"]
["140828294","CCN(C)CCNC(=O)c1n[nH]c(C(C)C)c1Br"]
["169548229","CCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)OC(=O)CCCCCCC/C=C\\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC"]
["MCULE-9596926936","Cn1nc(C(F)(F)F)cc1-c1cc(F)c(F)cc1C(O)=NCCN1CCC(Cc2ccccc2)CC1"]
["18182406","COc1ccc(C)cc1N=C(O)[C@H](C)SCc1ccc(-n2cccn2)cc1"]
["33212546","O=C(Nc1nsnc1-c1ccccc1)C(=O)c1ccccc1"]
["182001011","CN1CC2(CNCO2)c2cc(Cl)ccc21"]
["5594580","CC1CCN(C(=O)c2ccc(N=C(O)C(=O)N[C@@H](C)c3ccncc3)cc2)CC1"]
["27693016","O=C(O)CCc1ccc(OCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1F"]
["74459638","C[C](C)Cc1cc2ccccc2s1"]
["135398174","CN1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1"]
["174120965","CCOC(=O)C(C)(C)c1ccc(C2(N(COCC[Si](C)(C)C)S(=O)C(C)(C)C)COC2)cc1"]
["96766444","CC(C)OC(=O)N1CCC(O)(c2ncnc(OCc3ccccc3)c2CO)CC1"]
["171079559","C#CC(C)(C)OCCCO"]
["76442308","CCc1ccc(C=CC(=O)N(CC)CC(O)=NCc2ccc(Cl)cc2)cc1"]
["125521423","COCCCCS(=O)(=O)N=C(O)CC1CC(C)CC(C)(C)C1"]
["108419961","CC[C@@H](C(O)=NCc1ccco1)n1c(=O)n(-c2ccc(F)c(Cl)c2)c(=O)c2cc(C)ccc21"]
["21178611","COc1cc(OC)c(CN[C@@H](C)CC#[NH+])c(OC)c1"]
["109319848","CC(C)=C1[C@H]2CC[C@H]1[C@H]1COC[C@@H]12"]
["52192088","CCOc1ccc(Cl)c(C(O)=Nc2ccccc2S(=O)(=O)N(C)C)n1"]
["164971707","CC(C)C(=O)N1CCN(c2ccc(N=C(O)/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)cc2Cl)CC1"]
["49446918","CN(C)S(=O)(=O)NCCCCC(C(O)C(O)=NCc1cccnc1)N(CC1(Cc2ccc(F)cc2)CCC1)C(=O)O"]
["67060055","CN1CCC(NCc2cccc(Cl)c2)C1"]
["848656","CCOc1c(Br)cc(C(=O)N2CCCN(C)CC2)cc1OC.Cl"]
["117233204","CCOCC1CCCN(C(=O)c2c(OC)cccc2OC)C1"]
["171538979","O=C[C@H](NS(=O)(=O)O)[C@@H](O)[C@H](O)C(O)CO"]
["CSSS01172013682","CS(C)(=O)=Nc1nc(C(O)=NCC(c2ccccc2)c2nc[nH]n2)cs1"]
["MCULE-9151527263","OC(=Nc1nc2ccc(-c3cnn(C4CCOCC4)c3)cn2n1)c1ncccc1F"]
["33831481","CCCCN(C#CCOc1cc(C)oc(=O)c1)S(=O)(=O)c1ccc(C)cc1"]
["61622027","C=CCN1C(O)=NC(c2ccccc2F)C2=C1CN(C(C)C(C)C)C2=O"]
["MCULE-4328525057","COc1ccc(-c2nc(C)c(C(O)=NC(Cc3ccccc3)c3nc4ccccc4[nH]3)s2)cc1OC"]
["171905059","CC(O)c1cc(C(N)=O)n([C@@H](C)Cn2cc(Cl)c(-c3ccc(C#N)c(Cl)c3)n2)n1"]
["182214363","CC(CN=[N+]=[N-])(Cc1ccccc1)Cc1ccccc1"]
["116749420","CCC(=O)N1CCC(NC(=NC)NCc2cccc(Oc3ccccc3)c2)C1.I"]
["68872327","c1c[nH]c(CNCCCc2nc[nH]n2)c1"]
["179796257","c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc(-c7nc8ccccc8s7)cc6)cc5c34)n2)cc1"]
["MCULE-1251561873","Cc1ccc(CN2CCN(C(=O)Cc3cc(-c4cccn4C)cc(C(F)(F)F)c3)CC2)cc1"]
["44455736","CCCCOc1cc(C#N)ccc1OC"]
["MCULE-3529724516","COC(=O)COc1ccc(N=C(O)c2ccc(CS(C)(=O)=O)cc2)cc1"]
["115076695","Cc1cc(NCc2ccccc2OCC#N)cnc1Br"]
["MCULE-9832463621","O=c1cc(CNc2ccc3c(c2)OCO3)n(Cc2ccco2)cc1OCCCc1ccccc1"]
["83391945","CC(C(=O)OCC(O)=Nc1ccc(F)c(F)c1F)N1C(=O)c2ccccc2C1=O"]
["159638368","Cc1nc(C2(NS(=O)(=O)CC3CCCO3)CCCCC2)no1"]
["146651361","CCc1ccccc1N1CC(C(O)=NC(C(=O)O)c2ccc(OC)cc2)CC1=O"]
["80288449","O=C1/C(=N\\N=C(O)c2cccc(Br)c2)c2ccccc2N1CN1CCOCC1"]
["86837048","CC(C)(COc1cc(F)cc(Br)c1)C(O)=NN"]
["79852697","O=CC([O-])c1ccccc1.[K+]"]
["103301888","CC[C@@H](C)[C@H](C(=O)N1CCC(=O)CC1)c1ccccc1"]
["107167544","CCN(CC)CCNCC[C@@H](O)c1cccs1"]
["114962791","CCNc1ncc(F)cc1C(O)=NC1(C)CCCCC1"]
["7809548","CCCN=C(O)[C@@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)C1"]
["47844504","CC1=CC(=O)/C(=C2\\NNC3=C2C(c2ccccc2)N(Cc2ccc(C)cc2)C3=O)C(C)=C1"]
["160828657","CN(C)C1CCCC(N=C(O)[C@@H]2C[C@H]2c2cnn(C)c2)C1"]
["66048174","COc1cc(C(=O)Oc2c(-c3ccc(Cl)cc3)oc3ccccc3c2=O)cc(OC)c1OC"]
["144623736","CC(=O)N1N=C(c2ccccc2)OC1C(=O)N(C)Cc1ccccc1"]
["15566796","COCCOc1ncccc1C[N-]C(=O)c1ccccc1NS(C)(=O)=O"]
["147863410","O=C1OCCN1C(=O)[C@H](N=C(O)C(F)(F)F)[C@H](SC(c1ccccc1)c1ccccc1)c1ccccc1"]
["123649775","COc1ccc(-c2nc(CNC(c3ncccc3C)C(C)C)cs2)c(OC)c1"]
["155075852","CC(C)CC(=O)N1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1"]
["144162043","OC(=NCc1ccc(COc2ccccc2)cc1)[C@@H](O)c1ccccc1"]
["18618026","O=C(Oc1ccc(/C=N/N=C(O)CNC(=O)c2ccco2)cc1)c1ccc(Br)cc1"]
["MCULE-8096577296","Cc1cc(Br)ccc1NC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCCN=CO)C1=O"]
["MCULE-8624841464","CCOc1ccc(C=Nn2c(C)nnc2SCC(O)=Nc2ccccc2)cc1OCC"]
["155484196","COC(=O)c1cccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c12"]
["51798527","O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCC(O)=NC[C@H](c1ccccc1)N1CCCC1"]
["MCULE-1877907361","COc1ncc(-c2cccc(CC(O)=Nc3cccc(C#N)c3)c2)c(OC)n1"]
["MCULE-8018712123","CCc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(C)cc3)c2)cc1"]
["168735191","Cc1cc(C(N)=O)nn1-c1ccc2c(ccn2Cc2ccc([C@@H]3C[C@@H]4CN(CCS(C)(=O)=O)C[C@@H]4C3)cc2)c1"]
["26705014","NNc1cc(F)c([N+](=O)[O-])cc1F"]
["188103411","C=C(NC1CC(F)(F)C1)C(c1c(Cl)cccc1Cl)N(C=O)c1cccc(C)c1"]
["174521814","CC(C)[C@@]1(C(O)=N[C@@H](CC(=O)O)C(O)CF)CC(c2nccc3ccccc23)=NO1"]
["3643681","CCCN(C)CC(=O)N(CC)CC(O)=[NH+]C(C)C"]
["77577121","CN(Cc1c(F)cccc1Cl)C(=O)C1CCC2C(=O)N(C)C(S)=NC2C1"]
["103497048","CCCc1ccc([C@@H](N)COC2CCCC2)cc1"]
["127675284","CC(C)Cc1nnc(N=C(O)CNC(C)c2ccc(S(C)(=O)=O)cc2)s1"]
["58145503","COc1ccc2c(c1)CCCC2CC(O)=NCCCNc1ccccc1"]
["57322778","CC(C)NS(=O)(=O)c1ccc(F)c(C(O)=NNC(=O)c2ccc(COc3ccccc3)o2)c1"]
["9191154","Nc1cccc(OC2CC2)c1"]
["146673941","Cc1cc(C(=O)NC(Cc2ccccc2)C(=N)O)cc(C)c1OCC(=O)O"]
["85452848","O=S1(=O)CCCC(N2CCN3CCCC3C2)C1"]
["MCULE-7449887970","COc1ncc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1-c1cnc(F)c(C)c1"]
["136336045","CCCC(C(O)=Nc1cccn(Cc2ccccc2)c1=O)N(C)C"]
["MCULE-1835231890","COc1cccc(-c2cccc(C#N)c2N=C(O)c2ccc(C(F)(F)F)cc2)n1"]
["52130998","CC(C)(N)CN1CCCC(C(F)(F)F)C1"]
["141649668","Cc1cc2ncn(CN(C)CC#N)c2cc1C"]
["139517685","COC(=O)c1ccccc1N=C(O)CC1CCOc2ccccc21"]
["MCULE-1610532102","CCCN=C(O)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(C(=O)OC)cc1"]
["145577942","Nc1nc(C(F)F)c(I)cc1O"]
["80756454","CCCC(C)C(O)=Nc1cc(OCC)c(N=C(O)c2ccccc2)cc1OCC"]
["44331808","Cc1c(C(=O)N2CCC(CN=C(O)OC(C)(C)C)CC2)sc2nc(C(F)(F)F)ccc12"]
["98237250","CCn1c(-n2cc(C(F)(F)F)cn2)nc2c(N)nc(N=C(O)C(C)(C)C)nc21"]
["100517814","CCCOC(=O)CN(C)C(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]
["55047231","Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1"]
["185853870","N=c1[nH]c(CCC(O)=N[C@H]2CCO[C@H](CO)[C@H]2O)cs1"]
["28476108","CCCC[C@@H](C)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O"]
["64057122","C[C@@H](C(=O)N(C)Cc1ccccc1)n1ccc(C(=O)O)n1"]
["49131772","CC(C)=C(C)C(O)=Nc1ccccc1"]
["MCULE-6945866185","CN(C)c1ccc(C(O)=NC(Cc2ccccc2)C(=O)N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)cc1[N+](=O)[O-]"]
["147529188","COc1ccc(C2CCCCN(C(=O)COc3ccc(C(C)C)cc3)C2)cc1"]
["95884510","CCn1cc(S(=O)(=O)NCC(N)(CC)CC)nc1C"]
["59244201","C/C(=C\\Nc1ccc(/C=C/S(=O)(=O)c2ccccc2)cc1)CC1CCCN1C"]
["26715743","CCCCOCCc1cc(S(=O)(=O)O)ccc1C"]
["54851799","Cc1ccc(C(C)(C)C)c(OP(=O)(O)O)c1"]
["MCULE-1635159524","COc1cc(C(O)=Nc2cncc(C)c2)cc(OC)c1-c1cn(C)nc1C"]
["169898963","C=CCN=C(O)c1cnc(Nc2ccc(N3CCC(N(C)C)CC3)cc2)[nH]c1=Nc1cccc(C(C)(C)O)c1"]
["MCULE-4591956749","COc1cc(OC)c(-c2cc(OC)ccc2N=C(O)c2ccccc2C#N)c(OC)c1"]
["179935329","C[C@H](O)c1nccn1Cc1cc(C#Cc2ccc3c(c2)OC(CO)CO3)on1"]
["63929810","Cc1cc(Cl)c(OCCN2CCNCC2)c(Br)c1.Cl"]
["109566567","Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)ccc1N(C)C"]
["194781442","C/C(=N\\NC(=O)c1cccs1)c1ccc2ccccc2n1"]
["93579531","CC1SCCSC1c1noc([C@H](C)N)n1"]
["MCULE-5300536199","Cc1ocnc1C(=O)Nc1cc(F)c(F)cc1-c1ccccc1OC(C)C"]
["171470402","CNC[C@H]1CCOc2c(-c3cc(C)ncc3C)cccc21"]
["60905324","Cc1cc(C)cc(N2CCNC3(CCCC3)C2)c1"]
["5741399","COc1ccc(OC)c(N(CC(O)=Nc2ccccc2Br)S(=O)(=O)c2ccccc2)c1"]
["150832249","COP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@H]1O"]
["27823425","N#Cc1cccnc1N1CCN(CN=C(O)c2ccccc2Cl)CC1"]
["99190122","CC1(O)CC(NC(=O)O)(c2ccc(-c3oc4ncn(CC(F)(F)F)c(=O)c4c3-c3ccccn3)cc2)C1"]
["162956919","C#CC(C)NC1CC2C3CCC(C3)C12"]
["73637269","C1CCC[N]CC1.OCC(CO)C12CCC[N+]1CC2"]
["MCULE-4193326144","CC(=O)c1cccc(-c2ccc3nc(=NC(=O)c4ccc5c(c4)CCO5)[nH]n3c2)c1"]
["122243367","CCc1ncsc1C(=O)N1c2ccccc2SC(C)C1C"]
["116210125","COc1ccc(OCCNC(=O)c2cc(C)nc(N3CCOCC3)n2)cc1"]
["43581927","CN(C)Cc1ccc(-c2ccccc2CN=C(O)CN(C)C(=O)OC(C)(C)C)cc1"]
["5346952","CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(O)=NC)CC3=O)cc2)cc1"]
["16032283","OC(=NCCN=C(O)c1ccccc1F)NCc1cc[nH+]c(N2CCCC2)c1"]
["MCULE-9910177195","CC(=O)c1cccc(N=C(O)CCc2ccc(F)c(-c3ccc(N4CCN(C)CC4)nc3)c2)c1"]
["8209900","O=C([C@H]1C[C@H]1c1ccccc1)N1CCc2cc(N3CCCC3)ccc21"]
["103612716","O=S(=O)(c1ccc(N2CCN(c3ccc(O)cc3)CC2)nc1)N1CCC(Cc2ccccc2)CC1"]
["116190622","CC(Nc1nccc(C(=O)NCCc2ccc(Cl)cc2)n1)c1ccccc1"]
["56589140","COc1cc(OC)c(C(=O)C=Cc2cccc3ccccc23)cc1I"]
["121752686","Cc1c(C=CC(O)=Nc2ccc(Cl)cc2NC(=O)c2ccco2)cnn1C"]
["93684510","CC(CCc1ccc(O)cc1)N=C(O)C(C)CCCN"]
["122312357","Cc1nn(C)c2ncc(CN(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)cc12"]
["115167504","Cc1ccc(Br)cc1Oc1ccc(Br)cc1CCN"]
["50012523","COc1ccc(OC[C@H](O)CN2C(=O)C3(CCC(C)CC3)N=C2O)cc1"]
["106430739","CN(C)CCNC[C@H](O)c1ccc(-c2ccccc2)cc1"]
["156827144","C[C@@H]1CN(C(O)=N[C@@H](C)c2ccc3c(c2)OCCO3)C[C@@H](c2ccsc2)O1"]
["67222710","Cc1cc(Cc2cc(C)c(NC(=O)Nc3ccc(F)cc3)c(C)c2)cc(C)c1NC(=O)Nc1ccc(F)cc1"]
["147239960","CN=C(O)CN(Cc1cccc(C(F)(F)F)c1)CC(C)(C)N.Cl"]
["61262708","O=C(O)CC(N=C(O)OCc1ccccc1)C(=O)CN(c1cccc2ccccc12)S(=O)O"]
["158866035","CC[C@@H]1CC[C@@H](C(O)=NS(=O)(=O)[C@H]2CCCOC2)O1"]
["66374680","Cc1cc(C(=O)NN=C(O)C(C)Oc2ccc(F)cc2)on1"]
["120777072","CCc1ccc(C(=O)C#CN2CCN(C)CC2)cc1"]
["156229746","Nn1c(S)nc2c(-c3ccc(Cl)cc3)n[nH]c2c1=O"]
["165967705","Cc1noc(C(C)SC2=NN/C(=C3\\C=Nc4ccccc43)O2)n1"]
["88479821","CC1(c2ccc(Br)cc2F)CCNCC1"]
["104399458","Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(O)=NCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1"]
["150324647","CCC=C1CNCCCO1"]
["62646252","O=C(COc1ccc(CO)cc1C(F)(F)F)N1CCCC1"]
["MCULE-9086422597","Cc1noc(C)c1N=C(O)COc1ccccc1-c1ccccc1[N+](=O)[O-]"]
["MCULE-7407659620","CCC(C)C(C(O)=Nc1ccccc1)N(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)c(C)c1"]
["121184490","O=C(CN=C(O)NC(CO)c1cccc(Br)c1)N1CCCCC1"]
["119864090","Cc1ccc(Br)c(N=C(O)c2ccc(Br)cc2Br)c1"]
["21962800","COc1ccccc1-c1nc(=NCCN2CCOCC2)nc2[nH]n(-c3ccccc3)c(N)c1-2"]
["184730361","CCOc1c(C(=O)O)cnn1-c1cccc(C2=CCCC(C)=C2OCc2ccc3c(c2C)CCN([C@@H]2CCOC2)C3)n1"]
["180246332","OC(=NC1C=CC(F)=CC1)N1CCNCC1"]
["132062425","CC(CC(O)=NCc1ccnc(N(C)C)c1)C(=O)c1cccc(F)c1"]
["163532497","C#CC1(Cl)C(n2ncc(=N)nc2O)OC([C@@H](C)O)[C@@H]1O"]
["184593200","N=C(/C=C(\\c1ncc(C(=O)N2CCCCCC2)[nH]1)C(F)(F)F)c1ccc(F)cc1"]
["165461114","CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1"]
["110272623","N=C(O)[C@H]1CCCN(CCCNC(=O)c2cccn2Cc2ccncc2)C1"]
["27619867","CN1CCN(c2cc(C(F)(F)F)nc3c(F)cccc23)CC1"]
["CSSS14948290908","Cc1ccncc1CN(Cc1cnn[nH]1)CC1(C)CCC(F)(F)CC1"]
["160970095","OC(=Nc1cc2c(cc1Cl)OCCO2)N1CCC(c2ccncn2)CC1"]
["14103105","COc1ccc(/C=C/C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)cc1OC"]
["175271185","Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)O)C[C@@H]2C)c2cc(Cl)c(-c3c(C)ccc4n[nH]cc34)nc21"]
["13543704","Cc1ccc(C(O)=NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1Cl"]
["166727351","CCOC(=O)Cc1cc(CBr)nc(C(F)F)c1N"]
["97439252","CCOC(=O)c1c(C)c(CCCl)c(C)c(CCCCl)c1O"]
["164399567","CCc1nc2ccc(C(O)=Nc3cccc(OC)c3)cn2c1N(C)CCC(C)C"]
["62901808","Cc1ccc(C(=O)NN=C(O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)cc1"]
["MCULE-6167459231","Cc1ccc(OCCCC(O)=NC(Cc2ccc(F)cc2)C(O)=NCCN(C)C)cc1"]
["109707064","CCCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)c1ccccc1Br"]
["28969343","Cl.OC(=Nc1ccc(Cl)cn1)c1ccccc1N=C(O)c1ccc(OCc2ccccc2)cc1OC1CCNCC1"]
["102059971","CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@@H](CC(=O)O)[C@](C)(CC(=O)O)[C@H]3CC[C@@]21C"]
["180587799","C=C/C=C(/C=C)CC(=O)OCCC1Cc2ncccc2-[n+]2ccccc2C1"]
["275725","O=C1c2ccc(C3=NCCN3)cc2S(=O)(=O)c2cc(C(F)(F)F)ccc21"]
["126541465","CC(NC(=O)C(=O)Nc1cccc(-c2cccs2)c1)C1CCCO1"]
["45084803","CC[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)[C@@H](N(C)C)C[C@]4(C)[C@H]3CC[C@]12C"]
["191359496","CNc1ccc(Oc2cc(Oc3ccc(NC(=O)C(COO)(C(C)=O)C(=O)O)cc3)cc3ccccc23)cc1.Cc1ccc(Oc2cc(Oc3ccc(N4C(=O)C5(C(=O)N(C)C5=O)C4=O)cc3)cc3ccccc23)cc1.O=C1CC(=O)C12C(=O)OC2=O"]
["23158499","CC(O)=NC(C)CCc1ccc(-c2csc(=NC(C)C)[nH]2)cc1"]
["199839561","Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CN(S(=O)(=O)c2cnn(C)n2)CCN1C(=O)C1CC(O)C1"]
["174608396","O=C(COc1ccc(Cl)cc1Cl)OCC(=O)Oc1ccccc1"]
["MCULE-2047715023","Cn1ncc(-c2ccc(CN3CCOCC3)cc2)c1N=C(O)CN1C(=O)c2ccccc2C1=O"]
["125406328","CN(C)CCN(Cc1ccccc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-]"]
["152309469","Cc1cc(Cl)ccc1NC1N=C(O)/C(=C/c2ccc(OCC(=N)O)cc2)S1"]
["112130318","COCC(C)(C)NCCN1CCCC1"]
["78309798","CC.CCCCCCCCCCCCCCCCCCO"]
["MCULE-4941636584","CC(O)=Nc1ccc(-c2cc(CCC(=O)N3CCC(F)C3)ccc2F)cc1"]
["MCULE-9123559984","CCN(CC)C(CN=C(O)C(C)N=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1ccccc1"]
["136126573","O=c1c(C(O)=NCCCc2nc(-c3ccc(F)cc3)no2)cnc2sccn12"]
["82735018","CCCCC(=O)OC(CN(CC1CCCCC1)N=C(O)C(N=C(O)OC)C(C)C)C(C(=O)C(N=C(O)OC)C(C)C)C(N)c1ccccc1"]
["19571274","CS[C@H]1N=CCN1c1cccc(C([O-])=Nc2nc[nH]n2)c1"]
["144678038","NC1(c2ccc(C3(CO)CC3)cc2)CCC1"]
["13197116","Cc1nc(=NC(=O)c2ccc3c(c2)OCC(O)=N3)o[nH]1"]
["75042363","C[C@H]1O[C@H]1P(N)(=O)Cl"]
["199775055","C.CC(C)(C)C1=[C-]N(c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5ccccc5-c5ccccc54)ccc3)cc(C(C)(C)C)c2)CN1c1ccc(C(C)(C)C)cc1.[Pt]"]
["10674766","CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(O)=Nc1ccc(Cl)c(Cl)c1"]
["114370016","Fc1cc(Cl)c(C(Cl)c2sccc2Cl)cc1F"]
["50178785","CC1CNCCCN(C23CC4CC(CC(C4)C2)C3)C1"]
["MCULE-2529781933","CCN=C(O)Cc1ccc(N=C(O)c2ccc(=O)n(C)c2)c([N+](=O)[O-])c1"]
["170004632","c1ccc2c(c1)-c1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5sc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1C21CCCC1"]
["174699798","O=C1C=c2ccccc2=c2ccc3c(c21)C(Cc1ccc(Cl)cc1Cl)C(=O)C(c1ccccc1)C=3"]
["13094999","COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(C)o1"]
["MCULE-5694918511","CCCCOc1ccccc1N=C(O)C1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2"]
["140399508","Cc1ccccc1-n1nccc1N=C(O)C(=O)NC(CCO)c1ccco1"]
["156185008","CN1C[C@@H](c2ccccc2C(=O)O)Cc2ccccc21"]
["49113016","CCNCc1ccc(OCC(=O)N(CC)C2CC2)c(Cl)c1"]
["179461768","CC1C2CC3CC4C1C2CC(C)C34C"]
["187892865","COc1ccc(COc2ccc(C(=O)N3CCC(c4cc(C(=O)O)on4)C3)c(F)c2OCc2ccc(OC)cc2)cc1"]
["193757975","Cc1cc(=N)[nH]c(C)c1CN=C(O)c1ccc2c(c1)C1OC2c2cc(-c3ccco3)ccc21.Cc1cc(=N)[nH]c(C)c1CN=C(O)c1ccc2c(c1)C1OC2c2ccc(-c3ccco3)cc21"]
["45064928","C/C(=N/Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1"]
["74863206","C[C@H](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1=C=CC=C(Cl)[CH]1"]
["30424892","COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4cccs4)C[C@@H]3CCC(=O)O)c2c1"]
["165392915","OC(CCN1C(S)=NC(c2ccccn2)C1c1ccc(-c2ccc(F)cc2)o1)=Nc1ccccc1F"]
["90725141","COc1ccc(OC)c2c(OC)c(C3OC(=O)OC3C=C(C)C)cc(OC)c12"]
["48380781","CCOc1cc(C=NN=C(O)CC(O)=Nc2ccccc2Br)cc(I)c1OCC"]
["3246189","CC(C)Cn1c(N2CCN(Cc3ccccc3F)CC2)nc2c1c(O)nc(=O)n2C"]
["121592674","CN(C)CCN(C)C(=O)CCc1nc(-c2ncccn2)no1"]
["103841489","Cc1ccc([C@](C)(C=O)Cc2ccc(C(C)(C)C)cc2)cc1"]
["7563165","CCOC(=O)c1cnc2ccc(Cl)cc2c1Br"]
["179567153","O=C(N=c1nc(-c2cn3ncnc3c(CCCC(F)(F)F)n2)[nH]c(O)c1-c1ccc(Cl)cc1)C1CC1"]
["96239970","CC1(C)CC2(CNCC2C(=N)O)C(C)(C)O1"]
["MCULE-4289890940","O=C(C=Cc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1"]
["195618700","CN=CCCNCc1cccc(C)c1"]
["190207626","CB1Oc2ncccc2N1C"]
["198666780","O=C(Cc1ccc(C(F)(F)F)nc1)Cn1nc(N2CCCCC2)ccc1=O"]
["182540009","[N-]=[N+]=NC(O)(c1ccccc1)c1cccnc1"]
["25504648","Cc1cccc(-c2nccc(-c3ccccc3)n2)n1"]
["CSSS02800653036","O=S(=O)(NC1CCN(CC2CCOC2)CC1)c1ccns1"]
["73483127","CCCCCCCCCCCCOc1c(C)cc(C(=O)O)c(Oc2ccccc2)c1C"]
["147262500","Cn1ccnc1C1CNCCN1CC(O)=NC(c1ccccc1)C1CCCC1"]
["103664587","CCN(CC(O)=Nc1c(F)cccc1F)C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1"]
["95411933","NCc1cn(CC(=O)Cc2ccc(Cl)s2)nn1"]
["29810871","CC1(C)CN=C(O)c2sc(N3CCOc4ccc(O)cc43)nc2C1"]
["181241674","COC(=S)CCC#N"]
["58505567","N#CC(C#N)=C1c2ccccc2-c2c1sc1ccccc21"]
["174115555","Cc1c(C(O)=NCc2ccc(F)cc2)c(O)c2ncccc2c1OSCCN1C(=O)c2ccccc2C1=O"]
["152444696","CCOc1cc([C@@H]2NC(O)=NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NNC=C1C=CC=C(OC)C1=O"]
["4843168","COc1ccccc1C(=O)O[C@H]1OCCO[C@@H]1OC(=O)c1ccccc1OC"]
["8568404","CN=C(O)[C@@H](C)Sc1cc(Cl)ccc1Cl"]
["110355032","N=C(O)COc1ccc(CN=C(O)CN2CCC[C@@H]2c2ccc[nH]2)cc1"]
["107094064","Oc1ccc(N2CC[C@H](CNCCc3c[nH]c4ccccc34)C2)cc1"]
["15889283","N=c1cc(N)nc(SC2=CC(=O)c3ccccc3C2=O)[nH]1"]
["126763508","CCC(NCC(=O)Nc1ccc(N=C(C)O)cc1)c1nc(C)cs1"]
["155033391","CC(C)(N)[C@H](F)c1ccc(Br)cc1"]
["99669813","CCC/C(=N\\OC/C=C/Cl)C1C(=O)CC(=CS(=O)c2cc(F)c(F)cc2F)CC1=O"]
["MCULE-4363987917","O=C(CCN1CCCC1)N1CCN(c2cc(N3CCCC(CO)C3)nc(-c3ccccc3)n2)CC1"]
["48098079","O=C(O)c1ccc(-c2cccc(-c3ccccc3)c2)s1"]
["106477841","Cc1cc(C)c(N=c2[nH]nc(SC[C@@H](O)COCc3ccco3)s2)c(Cl)c1"]
["160729865","CN1CCCC2(CCN(C(=O)C3CCCSC3)C2)C1"]
["16262438","Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1"]
["51404470","Cc1ccccc1CSc1ccc(F)cc1[C@@H](C)O"]
["6752019","C[C@@H]1C[C@@H](N=C(O)N2CCC(C(O)=NC3CCCCC3)CC2)c2ccccc21"]
["49690053","Cc1ccccc1COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccncc3)C2c2cccc(O)c2)cc1"]
["19237570","CCN(Cc1ncc(-c2ccc(F)cc2)o1)Cc1ccc(C#[NH+])cc1F"]
["63869451","CCCCOC(=O)C1=C(C)N=C2N=C(SCC)NN2C1c1ccc(OCC)c(OC)c1"]
["42402391","Cc1cc(C)n(-c2cccc(N=C(O)N(C)CCOc3ccc(Cl)cc3)c2)n1"]
["22570630","Cc1ccc2nc(C[NH2+]C(=O)C(=O)N3CCCc4cc(F)cc(C)c43)cn2c1"]
["174354180","CC1Cc2c3c(c(F)c(F)c2C12SCCCS2)C1(SCCCS1)C(C)C3"]
["689418","Cc1nn2c(=O)cc(COC(=O)c3ccc(N=C(O)c4cccs4)cc3)nc2s1"]
["68335719","CC(O)=NN=C(O)CN(CC(=O)O)c1ccc(C)cc1"]
["65746585","CC(Oc1cccc2ccccc12)C(O)=N/N=C/c1cc([N+](=O)[O-])cs1"]
["159760619","CCC(C)C(=O)C(=O)O.N[C@H](CCC[C@H](N)C(=O)O)C(=O)O"]
["109790909","CC[C@H](C)[C@H](N=C(O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1nc2ccccc2[nH]1"]
["61743220","COc1ccc(N)cc1N=C(O)CCOCc1ccccc1"]
["MCULE-5399645960","COc1cccc(CC(O)=NC(C)Cn2nc3c(cc2=O)CCCC3)c1"]
["172236983","N=c1ccc(-c2cccc3c(C(=O)N4CCCCC4)cnn23)c[nH]1"]
["101162153","[C]1C23CCCC2=C2CCCC12C3"]
["70681778","CCCn1ncc(C(O)=NCCc2noc(C3CCCC3)n2)c1C"]
["53921547","Cc1ccc(F)cc1N=C(O)c1cccc(N=C(O)C(C)N=C(O)C2CCN(CC(=O)Nc3ccc(C(=O)N4CCCCC4)cc3C)CC2)c1"]
["156452558","COC[C@H](C)Nc1cccc(Cl)c1Cl"]
["70693906","COCCN(Cc1c(C)nn(C)c1C)C(O)=Nc1cccc(C)c1"]
["43776364","COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(COc2cc(C)ccc2C)cs1"]
["168702703","O=C1c2ccccc2C(=O)N1Cc1cc(N=Cc2c(O)nc(=S)[nH]c2O)ccc1Cl"]
["52130472","COc1cc(/C=N\\N=C(O)Cn2cnc3sc(C)c(C)c3c2=O)cc(Br)c1OCc1ccccc1"]
["45756399","O=C1c2c([N+](=O)[O-])cc(S(=O)(=O)O)c([O-])c2C(=O)c2c([O-])c(S(=O)(=O)O)cc([N+](=O)[O-])c21.[Na+].[Na+]"]
["53594250","CC(O)=Nc1ccccc1CC1N=C(O)N=C1O"]
["57378443","C/C(=N\\NC(=N)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1"]
["33976849","C=CCC(CC1(C(O)=NC2CCCC(C(=O)O)C2)CCCC1)C(=O)O"]
["150989966","COc1ccc(NC(=O)[C@H](CC2=c3ccccc3=NC2)N=C(O)[C@@H]2Cc3ccccc3CN2)cc1"]
["66995105","CN=C(O)N=C(O)C(C)N(C)CC(O)=Nc1cccc(OC)c1"]
["85130453","COC(C)C(=O)CC1CCCC1"]
["132288557","Cc1ccc(C(C)N(C)C(=O)c2ccc(O)c(Cl)c2)cc1"]
["131927623","Cc1noc(C)c1C(O)=NCc1cccc(CS(C)(=O)=O)c1"]
["23638301","CCCN1C(=O)c2n[nH]c(-c3cccc(OC)c3)c2C1c1ccc(O)cc1"]
["51911730","COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)nc12"]
["47008932","CC(NC(=O)c1ccc(F)cc1)c1ccccn1"]
["174497925","C[C@H](CC(=N)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)(C)OC(=N)O"]
["28389280","CC(Nc1nccc(-n2cc(C(=O)O)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1"]
["122790734","CCOc1ccccc1C(O)=NCCCC(O)=NC(C)(C)c1nccs1"]
["68269763","Cc1ccc(NC(=O)c2ccc(OCC(=N)O)cc2)cc1S(=O)(=O)Nc1ccccc1F"]
["MCULE-4935614300","Cc1ccc(=O)n(CC(=O)N2CCCC3(C2)CN(C(=O)c2csc(C)c2)CCO3)n1"]
["MCULE-9389134145","CCc1ccccc1C(O)=Nc1cc([N+](=O)[O-])ccc1-c1cncc(C#N)c1"]
["172218053","Cn1c(=O)cc(CC2=CCCCC2)c2ccccc21"]
["6772030","C[C@H](Sc1n[nH]c(=Nc2ccccc2)s1)C(O)=NC1(C#N)CCCCC1"]
["MCULE-5279610258","COc1cc(-c2ccc(C)o2)ccc1CC(=O)Nc1cc(C2CC2)nn1C"]
["43726660","Cc1ccc(C(O)=Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)s1"]
["11568462","COc1ccccc1OCCSCC(O)=NCCc1ccccc1C"]
["132824394","CC(C)(C)OC(O)=NCCCN=C(O)CC1CCCCO1"]
["188214436","c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4c3oc3ccc5ccccc5c34)n2)cc1"]
["173294019","CCOC(=O)C1=C(O)C[C@@H]2CCC[C@H]1N2C(C)c1ccccc1"]
["92685052","OC(c1cncc(F)c1)C1CC2CCC1C2"]
["25242538","O=c1occ(CO)o1"]
["160938759","OC(=Nc1cc(Br)ccc1-n1cccn1)N1CCC2CNCC2C1"]
["50883980","C=C(O)Cc1ccc(OCc2coc(-c3ccccc3)n2)c(OC)c1"]
["MCULE-5299338957","CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(O)=Nc2c(-c3c(OC)ccc(F)c3F)cc(F)c(F)c2F)cc1"]
["22622812","CC1CC(OCc2ccccc2)C(OCc2ccccc2)C(O)O1"]
["77312292","OC1=NC(c2ccc(Cl)cc2)NC2CCN(Cc3sc4ccccc4c3Br)CC12"]
["160152189","CC(=O)N1CCCC(C(=O)N2CCOCC2C2CCCC2=O)C1"]
["116618597","CCN=C(NCCCc1cccc(F)c1)N1CCOC(C2CCCO2)C1"]
["14054951","COCc1cc(OC(=O)N(C)C)nc2c1c(-c1cccs1)nn2C"]
["154522686","CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O)c([N+](=O)[O-])c1"]
["144220810","CCC(CC)N=C(O)C(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1"]
["31905434","CC(C)c1noc(N2CCC(N(C(=O)c3ccc(-c4cnco4)nc3)C3CC3)CC2)n1"]
["119648559","CCC(=O)N=c1ccc(=NCc2ccccn2)[nH][nH]1"]
["112661746","CC1CC(n2c(O)c(F)c(O)nc2=O)CCO1"]
["185012183","C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)ccnc2c1"]
["77951060","CC(=O)OCC1(C(=O)O)CCC2(C)C(CCC3C4(C)CCC(OC(=O)CCl)C(C)(C)C4CCC32C)C1=O"]
["2303240","COc1cccc2c(Cl)c(-c3ccccc3)c(Cl)nc12"]
["166546289","N=C(/C=C\\Nc1ccccc1)N=C(O)Cc1cccc(C(F)(F)F)c1"]
["159427677","O=S(=O)(N=c1nc[nH]s1)c1cc(Cl)c(NCCCCNC[C@H]2CCCN2)cc1F"]
["MCULE-6835392165","CC(O)=NCCCN=C(O)c1cccc(N=C(O)c2cncc(Br)c2)c1"]
["23882627","N=c1nc(SC(c2ccccc2)c2ccc(Cl)cc2)[nH][nH]1"]
["144335412","CC(N=C(O)Nc1ccc(=O)n(C)c1)c1nc(-c2ccccc2)cs1"]
["164011016","C=C(C)[C@@H]1CC=C(CNCC(=O)N(C)C)CC1"]
["121448379","Cc1ccc(CNc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)c(C)n1"]
["1520407","CCOc1cc(C#N)ccc1OC(=O)[C@H](C)CSC"]
["66353746","CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)[C@H](c2ccccc2)C1"]
["MCULE-9759996275","Cc1cc(F)cc(-c2c(C)cc(NC(=O)Cn3ccnc3)cc2C)c1"]
["MCULE-7897638604","CC(O)=Nc1ccc(C(=O)N2CCC(CN=C(O)c3ccc4oc(C)cc4c3)CC2)cc1"]
["17595471","C[C@@H]1CCCCN1C(=O)CCN=C(O)c1cnc(-c2cccs2)s1"]
["49755777","CCNCc1noc(CCC2CCCO2)n1"]
["112584179","CC(C)C(C)(C)CNC1CC(N=C(O)OC(C)(C)C)C1"]
["MCULE-1896515959","Cn1cc(-c2cc(F)ccc2F)c(=NC(=O)C2CCS(=O)(=O)CC2)[nH]1"]
["53006800","CC(C)(C)OC(O)=N[C@H](CCCOc1cccc(C[C@H](N=C(O)OCc2ccccc2)C(=O)OCC[Si](C)(C)C)c1)C(=O)O"]
["151615355","Fc1cccc(Cl)c1Cn1nc(CNCc2nc3ccccc3[nH]2)c(-c2ccccc2)n1"]
["196844359","CC1(Oc2cc(C(=N)c3cc(Cl)ncn3)c(N)cn2)CC1"]
["100677185","COc1cc2nc(C)sc2cc1Br"]
["118439730","CN=C(NCCc1nc(C(F)(F)F)cs1)NCc1cccnc1OC1CCCC1"]
["194354437","O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1CCF.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1"]
["MCULE-3424691681","CC(C)Cc1nc(C(=O)NC(C)(C)C(=O)N2CCN(c3ccccc3)CC2)c2ccccn12"]
["MCULE-5045848983","Cc1cc(C)cc(-c2cc(C)cc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)c1"]
["139840810","COC(=O)c1ccc(N=C(O)CCc2ccccc2OC)cc1F"]
["MCULE-4580291977","Cc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2cccc(Cl)c2n1"]
["137580512","C#CCC(C)(C)C(O)=Nc1ccc(Cl)c(C(O)=NC)c1"]
["95143188","CC(CC(=N)O)N=C(O)c1cc(Br)ccc1N"]
["15670589","CNC(=[NH2+])NCCCN=C(O)c1cc(OC)ccc1Br"]
["124108283","CC(CN=C(O)Nc1ccc(OCC(=N)O)cc1)N1CCc2ccccc2C1"]
["10278570","C[C@H]1Oc2ccccc2O[C@@H]1C(O)=Nc1nc2ccccc2[nH]1"]
["104608360","CCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)COC(C)(C)C"]
["199366120","COC(=O)C1=P(C(C)(C)C)(C(C)(C)C)C[C@@]2(C)[C@@H]3C[B-](c4c(F)c(F)c(F)c(F)c4F)(c4c(F)c(F)c(F)c(F)c4F)OC(=[O+]C)[C@@]132"]
["126391444","CC(C)Cc1noc(CN(C)C(C)c2cccnc2)n1"]
["141464595","OC(CNc1ccccc1N=C(O)c1ccccc1)=NCC1CC1"]
["174603293","C=C/C=C\\C.C=CC=C.CC"]
["94546199","COc1ccc(C(O)=NCC2(CCl)CCCCC2)cc1F"]
["105243465","CC[C@@H](N)[C@H](SCC(=O)OC)c1ccc(Br)cc1"]
["MCULE-6226699796","COc1cc(OC)c(-c2ccc(F)cc2N=C(O)C2CCc3ccccc3O2)c(OC)c1"]
["92911442","Cc1ccncc1CN=C(O)c1ccc2nc[nH]c2c1"]
["128707087","COc1ccc(S(=O)(=O)CCC(=O)N2CCc3sccc3C2)cc1"]
["176769720","NNc1cc(N=C(O)N2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)ccc1N"]
["154913142","c1ccc(COCC2OCC(OCc3ccccc3)C(OCc3ccccc3)[C@H]2OCc2ccccc2)cc1"]
["118544635","CCCNC(=NCC)NCC1(c2ccccc2F)CC1"]
["187794373","C=CC(=O)OCCCOC(=O)C1CCC(C2CCCCC2)CC1"]
["20117381","COC(=O)[C@H]1C[C@H](C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)N1"]
["107042591","COC1=C(C(=O)O)N(C)C(S)=N[C@H]1c1c(Cl)cccc1Cl"]
["MCULE-6513603078","CC(O)=NS(=O)(=O)c1ccc(Nc2nc3ccc(C)cc3s2)cc1"]
["95695932","C#CC(O)=NCC1(C(=O)O)CCCCCC1"]
["MCULE-1690008609","C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc2ccccc12"]
["MCULE-9035841912","COc1cccc(C(O)=Nc2ncc(-c3ccc(F)nc3F)nc2C#N)c1F"]
["1117005","CCCCOc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1"]
["30913638","COC(O)=N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1)C(C)C"]
["133770170","CCSC(C)c1noc(CN(C)C(=O)Nc2ccc(CC#N)cc2)n1"]
["112678780","COc1cc(N)ccc1COc1c(Br)cc(Br)cc1Br"]
["89963894","Cn1c(=O)oc2cc(C(O)=NCCCCc3ccccc3F)ccc21"]
["164761638","CCN=C(O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O"]
["148135079","Cl.O=C(CC1COCCN1)N1CCCC(c2noc(C3CC3)n2)C1"]
["7506313","COc1cc(CN[C@H](C)C(=O)O)ccc1OC(C)C"]
["2703999","CCN=C(O)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)c(OC)c2)n1"]
["172673912","O=C1c2ccccc2CCN1c1ccc(Cl)cc1"]
["159486787","O=S(=O)(O)c1ccc(N=C(O)c2ccc(Br)cc2)cc1"]
["16211337","Cc1ccc(CCN=C(O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)cc1"]
["125291588","CC(CN1CCOCC1)N=C(O)Nc1cccc(C(O)=NC2CC2)c1"]
["158734035","C[C@H]1C[C@H](C)CC2(C1)N=C(O)N(CC(=O)N1CCSC(C)(C)CC1)C2=O"]
["86125129","CC(C)(CCC(=O)O)NC(O)=NCC1CCCCS1"]
["159562877","CCCCC(O)=NC1CCCN(C(O)=NC2CCCCC2)C1"]
["8758444","COc1ccc(N2CCN([C@H](C)C(=O)N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccco3)CC2)cc1"]
["MCULE-2852887128","CCOc1ccc(-c2nc(N3CCN(Cc4ccc(C)cc4)CC3)cc(N3CCOC(c4ccc(Cl)cc4)C3)n2)cc1"]
["184400443","CCC(C)c1ccc(OC(C)OCC2CCCCC2)c(C)c1"]
["75161867","CC(C)C(N=C(O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1ccccc1Cl"]
["84154230","COc1ccc2cc3c(nc2c1)CCCC3"]
["46927718","N#CC(N)=C(C#N)NC(O)=Nc1ccccc1"]
["97201254","COC(=O)/C(O)=C/C(c1ccccc1)c1c[nH]c2ccccc12"]
["140666480","CC(=O)c1cccc(COC(=O)Cc2c[nH]c3cc(F)ccc23)c1"]
["58969310","Cl.Cl.N[C@@H](Cc1ccc(Oc2ncccc2[N+](=O)[O-])cc1)C(=O)N1CC[C@@H](O)C1"]
["76707730","CC(O)=NN=C(Oc1c(Br)cc(C)cc1Br)c1ccc(OC(=O)C=Cc2ccco2)cc1"]
["58522041","O=C(Cn1cc(Br)c(O)nc1=O)c1ccc2c(c1)CCC2"]
["77279401","CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC(O)=NCC(O)=NC(CCCCN)C(O)=NC(Cc1cnc[nH]1)C(=O)O)C1OC(=O)C(OP(=O)(N(C)C)N(C)C)C1=O"]
["145455509","O=C(CN1C(=O)C=C/C(=C2\\C=C(NCc3ccc(Cl)s3)N(C(=O)c3cncs3)N2)C1=O)c1cocn1"]
["61237252","CN(C(=O)C1NNC2C=COCC21)c1ccccc1"]
["190632079","[CH-]=C1N=C(n2ccc3ccccc32)[N-]C(C)=C1CC.[Y]"]
["83322927","COC(=O)c1c(C)nc2c(c1-c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C"]
["179941362","NS(=O)(=O)c1cc(N=NC2C=CC=CN2)c(O)c2ccccc12"]
["MCULE-2355761881","COc1cccc(C#N)c1-c1ccc2c(c1)N(C(=O)c1ccccn1)CCO2"]
["166530014","CN=C(O)CCN=C(O)Cn1nc(C)c(F)c1C(=O)NNS(=O)(=O)C1CCCCC1"]
["114822801","Cc1ccc(OCCCc2ccncc2)c(C(=N)NO)c1"]
["192669495","CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(Br)cc1)N=C(O)c1cn(O)nn1.O=C(O)[C@H](O)C[C@@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)N=C(O)c1cn(O)nn1.OB(O)c1cc(Cl)ccc1F"]
["92576622","COc1ccccc1C1CCCC(C(=O)O)N1"]
["125048767","CC(C)COc1ccc(CNCC2CCN(S(=O)(=O)C(F)F)CC2)cc1"]
["29961998","CCCc1cc(SCc2nc(-c3ccc(Br)cc3)oc2C)ccc1OCC(=O)O"]
["22522006","CC1=C([C@@H](C2CCCCC2)N2CCOCC2)c2ccccc2[NH2+]1"]
["11150639","COC(=O)CNC[C@]1(O)CCCN(CC2CC2)C1=O"]
["6293332","OC(=[NH+]Cc1ccccc1CN1CCCCC1)c1ccccc1N1CCOCC1"]
["53549501","Cc1cc(NC(=O)C(C)N=C(O)C2CCN(C(C)C(=O)Nc3ccc(C(=O)Nc4c(F)cccc4F)cc3C)CC2)ccc1N=C(O)c1ccc(Cl)cc1"]
["MCULE-2245054082","Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)cc(C(F)(F)F)c2)cc1[N+](=O)[O-]"]
["MCULE-3782220589","CCOc1ccc(CC(O)=Nc2nnc(CCC(O)=NCc3ccc(C(=O)OC)cc3)c(O)n2)cc1"]
["MCULE-3566390772","COc1cc(-c2cccc(C(=O)N(C)OC)c2)cnc1N=C(O)c1cc(F)c(F)c(OC)c1F"]
["173717327","C.O=C1C2C=C(O)CC3CC(S)=CC13C(S)CC1C2C1(P)S"]
["167195828","COCC1=Cc2nc3ccccc3cc2C(c2c(OC)cc(OC)cc2OC)O1"]
["113846121","CC(C)C1N=C(CSc2ccc(Br)cc2)N=C1O"]
["148866599","Cn1ccc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1"]
["75238596","CNC(=O)c1cc(Oc2ccc(N(C=O)Nc3cc(C(C)C)nn3-c3cccnc3)c(F)c2)ccn1"]
["113292638","c1nc(CNCCN2CCOCC2)no1"]
["13675752","Cc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c(C)c1"]
["184314906","CC(C)OC1=CCC(C)(c2ccn3c(-c4cccc5ncccc45)cnc3c2)C=C1"]
["151324547","COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N=C3N=C(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)NN32)cc1"]
["135190907","CC(=O)c1ccc(C(O)=Nc2ccc(O)c(C)c2)cc1"]
["5466799","O=C(NN=C(O)Cc1ccc2ccccc2c1)c1ccc(Oc2cccnc2)cc1"]
["MCULE-7329988582","COc1ccc(OC)c(NC(=O)c2cccc(N=C(O)CCCOc3ccccc3)n2)c1"]
["188111173","C=C/C(=C\\C)C(O)=NN=C1CCCC(C2CCC2)CCC1"]
["77385199","CN(CC#Cc1cc2c(c(C(O)=NC(CO)Cc3c[nH]c4ccccc34)c1)OCCCC2)Cc1ccccc1"]
["86757896","CCN(CCOC)c1ccncc1CNCC(C)C"]
["MCULE-4774213953","O=C(NCC(O)=Nc1ccc(F)cc1F)c1ccc(NC(=O)C(F)(F)F)cc1"]
["179262517","C#[N+][C@]12[C@H](C(=C)C)CC[C@]1(NCCN1CCS(=O)(=O)CC1)CC[C@]1(C)[C@]2(C)CC[C@H]2[C@@]1(C)CC[C@@]1([N+]#C)C(C)(C)C(C3=CCC(COc4cc(C(F)(F)F)n(C)n4)(C(=O)OCC)CC3)=CC[C@]21C"]
["159990029","O=C(C[C@@H]1N=C(O)N=C1O)N(CC1CCCO1)C1CCSC1"]
["79874936","C[SiH](C)Oc1c(-c2cccc(Br)c2)cccc1C(C)(C)C"]
["66856084","O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCN(Cc2ccco2)CC1"]
["6594363","O=C(OCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccc(OC[C@H]2CCCO2)cc1"]
["195061606","Cc1cc2c(c(=O)n1CCc1ccccc1)C(c1ccc(N([O-])O)cc1)C(C#N)=C(N)O2"]
["162478882","OC(=NC1CCCNC1)[C@H]1CCN1"]
["77733601","Cc1cccc(C[NH2+]Cc2cccc(OCC(O)C[NH+]3CCC(O)CC3)c2)c1"]
["128744081","Cc1nn(C)c(C)c1CCCN=C(O)C1COc2ccccc21"]
["141920318","CCOCCN(CC)C(=O)C1C2C3CCC(C3)C12"]
["63268016","CC1OC2(CCN(C)CC2)CC1=NO"]
["135400204","Cc1cc(C(=O)Nc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C"]
["10572478","CC(C)C[C@H]1SC[C@@H](C(O)=[NH+]CCN(C)C)N1C(=O)c1ccc(Cl)cc1"]
["MCULE-4446404908","CC(C)(C)c1cccc(NC(=O)c2ccc[nH]2)c1"]
["CNP0527587.1","C[C@@H]1CCC/C=C\\CCCCCCCC[C@@H](O)[C@H](O)[C@H]2O[C@H]2[C@@H](OP(=O)(O)OCCN)C/C=C\\C(=O)O1"]
["171289180","CCCCCCNCN(CCCCC)C(=O)c1ccc(-c2ccc(C(=O)N(CCCCC)CNCCCCCC)cc2)cc1"]
["130485581","N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(O)=NC1CCCCC1"]
["179582168","CC1(C)Sc2c(C(=O)O)c(=O)c3c(n21)CC(N1CCNCC1)C(F)C3"]
["158596792","Cc1cc(N2CCSCC2)ccc1NC(=O)N1CC[C@H](O)[C@@H](C)C1"]
["179744242","O=C(Cl)N1N[NH2+]c2ccccc21"]
["108418515","COC(=O)CCN1CCN(C(=O)/C=C\\c2ccc(C(=O)OC)cc2)CC1"]
["124856272","COC(=O)c1ccsc1N=C(O)CCc1nnc(C2CCCC2)o1"]
["178132864","CCCc1c(OCCCOc2cc(OCc3ccccc3)c(C(C(C)=O)=C(C)N)cc2CC)cccc1Oc1ccccc1C(=O)OC"]
["64049421","C=CCn1c(SCc2nc(-c3ccc(F)cc3)no2)nnc1-c1ccccc1OC"]
["51740467","Cc1ccnc(NC2CC2c2ccccc2)n1"]
["137345273","CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CCOc1ccc(F)cc1Cl"]
["155848667","CCOc1ccc(-c2nn(-c3c(Br)cccc3Br)c(=O)c3ccccc23)cc1OCC"]
["166612468","O=C(O)[C@H]1C2CCC(CC2)C1N=c1cc(-c2ccccc2)nc(-c2c[nH]c3ncc(Cl)nc23)[nH]1"]
["174248776","CO.COC1=CC=C2CCC3C(CC[C@@]4(C)C3CC[C@@H]4C(=O)O)C2=CC1"]
["190727339","CCCCCCCCCC(=O)c1ccsc1C(=O)O"]
["4222731","CC(C)(C)c1nc(-c2ccc(NC(=O)CN3CCCCCCC3=O)cc2)no1"]
["62717218","Cn1cccc1[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)N1CCCC1"]
["93193475","CCC1CCCN(c2ccc([C@@H](N)CC)nc2)CC1"]
["82445708","CCOC(O)=Nc1cc(Cn2c(C(=O)O)c(C3C=CC=NC3=O)c3c4occc4c(F)cc32)c2ccccc2n1"]
["16870747","CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\\SC(=S)N(Cc2ccc(F)cc2)C1=O"]
["111686036","CCc1cc2c(N(C)CCO)[nH]c(=N)nc2s1"]
["157642678","CS(=O)(=O)N1CC[C@H](CN=c2ncc(F)c[nH]2)C1"]
["80743995","COc1ccc(C2C(C(=N)O)C(C)=Nc3ncnn32)cc1OC"]
["185538162","CCCCCCCCCCCCC(O)=Nc1ccc([N+](=O)[O-])c(Cl)c1"]
["55071496","CSc1ccccc1C(O)=Nc1cc(C(=O)O)ccc1C"]
["30368028","Cc1cc(C)c(-c2cc(-c3ccc(S(N)(=O)=O)c(Cl)c3)on2)c(C)c1"]
["129171766","Cc1sc2ncnc(SCC(=O)N3CCc4ccccc4C3CO)c2c1C"]
["27637134","COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](SCc3ccccn3)c3ccccc3)cc2)cc1"]
["92224930","CCOC(=O)c1nc(C(O)=NCCCC(=N)O)cs1"]
["174649212","CC.COCOC(=O)OCc1ccccc1C(F)(F)F"]
["161852846","CCCC(O)=NC(NC(S)=NCc1cc2ccccc2nc1Cl)(C(=O)OC)C(C)C(C)C"]
["170175611","C=CCN(CC(=O)c1ccccc1)c1c(F)cccc1F"]
["199817233","c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1"]
["128605140","C#CCC(C)OC(=O)c1cccc(C)c1C"]
["162865060","Clc1cc(I)cc([C@H]2COCCN2)c1"]
["MCULE-7072170690","COc1cc(-c2cc(CC(O)=Nc3nc(C)cs3)cc(C(F)(F)F)c2)cc(OC)c1OC"]
["MCULE-6393389778","CCc1nn(Cc2cc(C)ccc2C)c2c1C(c1ccc[nH]1)C(C(O)=NCCOc1ccccc1)=C(N)O2"]
["197858378","CC1CCC(C(C)C)C(OCC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)C1"]
["184637137","COc1cc(N[C@H](C)C(F)(F)F)ccc1-c1c(Cl)c(C(O)=NCC2(O)CCC(C)CC2)nn1C(C)(C)C"]
["MCULE-4099330066","CC(O)=Nc1c(Br)cc(C(O)=NCCN)cc1Br"]
["66191697","CCC(C)N(C)S(=O)(=O)c1c(C)nn(CCO)c1C"]
["158285436","O=C([C@@H]1C[C@]12CCNC2)N1CCC(N2CCCCC2)CC1"]
["152916869","CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)C[C@@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O"]
["46074401","I.ICC1CN=C(N(Cc2ccccc2)Cc2ccccc2)S1"]
["63107742","CCC1(CC)C(O)=NCC(=O)N1CCOC(C)C"]
["150473276","COC(=O)CN=C(O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)C2c1ccccc1"]
["124253881","Cc1csc(CN2CCN(C(C)c3nc(-c4cccs4)no3)CC2)n1"]
["175083789","CCCCOC1=CC=CC(C)(S)C1C"]
["111463795","CCN(CCN)CCC1CCC2(CC1)OCCO2"]
["86326418","CCCNc1cc(N(CC)c2cccc(F)c2)ncn1"]
["185872515","Cc1cccnc1-c1nc2c(OCCO)cccc2n1S(C)=O"]
["176210102","CC.CC[n+]1cc2ccccc2cc1-c1cc(-c2ncc3c(n2)C2(C)CCC3(C)C2C)ccc1C"]
["175047674","CC(C)C(=S)N(N)C[C@@]1(c2ccccc2Cl)O[C@@H]1c1ccc(Cl)cc1Cl"]
["183133171","[N-]=[N+]=NCCCCCCCCCC(c1ccccc1)c1ccccc1"]
["MCULE-1206507394","CCN(CC)CC(O)=Nc1nccc(C)c1-c1cccc(F)c1C#N"]
["170204547","CC[C@@H](C)n1c(=O)c(NCc2ccc(S(=O)CC)cn2)nc2c(CF)nc(-c3c(C)ncnc3C3CC3)nc21"]
["173121375","C#C.C=C(C)CCCCCNC(CCCC)=NC.CC/C=C(\\CCC)c1ccc(C)c(F)c1"]
["180255912","CC1CC2CC(C)C(C)(C)CC2(C)CC1(C)C"]
["170666558","COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)C[C@H](OC(=O)Cn6cc(COc7ccccc7C=O)nn6)[C@@H](OC(=O)Cn6cc(COc7ccccc7C=O)nn6)C(C)(C)C5CC[C@]43C)C2C1"]
["151487827","CCN=C(O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1"]
["135471556","COc1ccc(CNc2cccc(-c3n[nH]c(C)n3)c2)cc1OCCCC#N"]
["94104790","CCOc1cccc(CCl)c1OCCCCOC"]
["55932475","CC(C)CCN1C(=O)C(=C2Nc3ccccc3S(O)(O)N2)C(=O)c2sccc21"]
["70316466","COC(=O)N1c2ccccc2C2(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(OC)C3CC(OCc4ccccc4)CCC312"]
["153469281","CC(C)(C)Nc1ncccc1C(O)=NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1"]
["111726641","CCCS(=O)(=O)c1c(N)nsc1NCCCn1ccnn1"]
["196945224","CCCCCCCCCCCCCCCCCCCCC(O)=NC(COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCCCC)C(=O)O"]
["187702328","N=C1NC(=Nc2cccc(S(=O)(=O)O)c2)c2ccccc21"]
["125231091","COC(=O)c1ccc(N=C(O)CCN=C(O)c2ccsc2)c(F)c1"]
["165017123","Cc1ccc(S(=O)(=O)N(CC(O)=NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)Cc2ccccc2)cc1"]
["108693237","Cc1nc(C)c(-c2nnc(S[C@@H](C(O)=NCc3ccccc3F)C(C)C)o2)s1"]
["162966782","FC(F)(F)c1cc(Cl)cc(S)n1"]
["190014925","C=C/C=C(\\C=C)COCCC(O)=NSC(C)C.CC"]
["112983685","CSCCCCCCNS(=O)(=O)c1cc(F)ccc1CN"]
["100586502","O=C1N=C(O)C(=Cc2cc3cncc(Nc4ccc(C(F)(F)F)nc4)c3o2)S1"]
["60797245","Cn1ccnc1CN1CCCN(C(=O)c2cc(Cl)sc2Cl)CC1"]
["9835313","Cc1occc1C(O)=NC1CCN(C(O)=Nc2cccc3c2OCCO3)CC1"]
["105788944","CC(O)=N[C@@H](CC(O)=Nc1cc(Cl)ccc1N1CCCC1)c1cccs1"]
["56495173","Cc1noc(C)c1-c1nc(CC(N=C(O)C2(N=C(O)[C@@H](S)C(C)C)CCCC2)C(=O)O)no1"]
["MCULE-2118861397","COC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(C)cc2)o1"]
["163493584","CNCC(O)COc1cccc(-c2nc(-c3c(C)cn(C)c3C)c(C)c(=NC3CCOCC3)[nH]2)c1"]
["178564842","CC/C=C\\N=C(C)N(CCN1CCC(n2cnc3ccccc3c2=O)CC1)c1ccccc1F"]
["169012422","N#Cc1cc(C=O)c(C=O)cc1N"]
["128732539","CC(N=C(O)N1CCOC(c2ccc(F)cc2Cl)C1)c1cccc(O)c1"]
["180432098","NC(C(=O)C=O)[C@@H]1C[C@@H](O)CN(c2ncc(I)cn2)C1"]
["MCULE-3009765764","CSc1cccc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2C#N)c1"]
["MCULE-6797967097","CSCCC(N=C(O)c1ccc2nc(C)c(C)nc2c1)C(=O)N(C)Cc1ccccc1"]
["169798239","Cn1c(-c2ccccc2)nc2c1cc(C=C1C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C1=O)n2-c1ccccc1"]
["74852513","[O]c1ccc(Oc2ccccn2)c(O)c1"]
["47497972","CCCC(C)NCc1cscn1"]
["58709586","CC(C)C(=O)Nc1ccc(NC(=O)CCN=C(O)C2CCN(CC(O)=Nc3cc(C(=O)N4CCOCC4)ccc3Cl)CC2)cc1"]
["187549028","Cc1c(-c2ncco2)sc2c1c(=O)n(C1(C(O)=NS(=O)(=O)C3(C)CC3)CC1)c(=O)n2C[C@H](OC1C[C@H]2CC[C@@H](C1)O2)c1ccccc1OC(F)F"]
["MCULE-7692046958","CCOC(=O)c1c(C2CCCCC2)nn2c(Cl)cc(-c3ccc(C(C)(C)C)cc3)nc12"]
["58726848","NCC(c1ccc(C(F)(F)F)nc1)N1CCC(F)(F)C1"]
["104687730","CN(C1CC1)[C@@H](CN)c1ccc(Cl)cc1"]
["169687165","OC(Cc1csc(N2CCOCC2)n1)=NCc1ccc(Oc2cccnc2)c(F)c1"]
["113804026","OC(CC1CCC1)=Nc1cccc(CNC2CC2)c1"]
["125722862","O=C(OCc1ccccc1)N1CCC(C(O)=N[C@H]2c3ccccc3C[C@H]2O)CC1"]
["76161026","N[C@H]1CC[C@@H](Oc2ccc3cnccc3c2-c2ccccn2)CC1"]
["99747687","COC(=O)[C@@]12C[C@H]1/C=C\\CCCCC[C@H](N=C(O)OC1CCCC1)C(=O)N1C[C@H](Oc3cc(/C(O)=C/[N+]#N)nc4cc(OC)ccc34)C[C@H]1C(O)=N2"]
["51671634","CC1CCCC1(NC1CC1)C(=O)O"]
["76873504","O=C(/C=C/c1ccc(OO)cc1)c1ccc(OO)cc1OO"]
["80152641","CC1(C)OCC(C2OC(=CC#Cc3ccccc3)C3OC(C)(C)OC32)O1"]
["99485861","N#Cc1ccccc1/C=N/N"]
["199649465","Cc1ccc(Oc2ccccc2C=NN=C2N=C(O)C(CC(=O)O)S2)cc1"]
["2792020","CCOC(=O)CCN=C(O)[C@H]1CC[C@@H](C(C)(C)C)CC1"]
["65060621","Cc1ccc(CC(N)c2ccccc2C(F)(F)F)nc1"]
["32605671","CCCC(=O)/C=C(O)/C=C/c1ccccc1"]
["165195389","CC1(C)CNc2c(F)cccc21.Cl"]
["122488980","CCOc1ccc(-c2noc(CCC(O)=NCC3(C)COC3)n2)cc1"]
["MCULE-4129712903","COc1cc(F)cc(-c2cc(F)cc(NC(=O)c3cccc(OC)n3)c2)c1"]
["87119382","CC(C)(Cn1c(S)nnc1CO)S(C)(=O)=O"]
["26574322","CNCCN1C(=O)[C@@H](OC(C)=O)[C@@H](c2ccc(OC)cc2)Sc2cc(Cl)ccc21"]
["67471957","C=C(C)CN(CC)C(=O)c1ccc2c(c1)CCCN2"]
["MCULE-4876912043","OC(C=Cc1ccc(OCc2ccccc2Cl)cc1)=Nc1ccc2nc(C(F)(F)F)[nH]c2c1"]
["100995720","c1ccc(-c2cc(COc3cc4nc(c3)CNCCCNCCCNC4)ccn2)nc1"]
["86054766","CC(C)COCCCN=C(O)C(C)CCN"]
["182837022","Fc1cc(C#Cc2cccnc2)cc(F)c1N1CC2(CC2)n2ccnc21"]
["MCULE-1426389264","Cc1nc(-c2ccncc2)sc1C(O)=Nc1ccc(F)cc1F"]
["MCULE-7471454778","CCCOC(=O)C(CC)Oc1cccnc1N=C(O)c1cccc(C#N)c1"]
["82549898","OC1CC(c2c[nH]c3c(F)cccc23)c2ccccc21"]
["MCULE-4577410801","COc1ncccc1N=C(O)c1ccc(F)c(-c2cccc(CC(=O)O)c2)c1"]
["59435641","CC(C)N=C(O)N=C(O)COC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1"]
["77044358","C=CCN(C(=O)OCc1ccccc1)C1C=CC(N(CC=C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC(O[Si](C)(C)C(C)(C)C)C1"]
["158502505","Cc1ccnc(N2CCC[C@](O)(C(=O)N3CCCC3)C2)c1[N+](=O)[O-]"]
["50530121","Cc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccccc2C)cc1"]
["49872540","CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OCCCCn2cc([N+](=O)[O-])[nH+]c2C)[C@H]1OCCCCn1cc([N+](=O)[O-])[nH+]c1C"]
["22390204","Cc1ccc(C2(c3noc(CN4CCN(c5ccccn5)CC4)n3)CCCC2)cc1"]
["150655730","Cn1c2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc2c2c3ccccc3c3ccccc3c21"]
["176564965","Cc1ccc(OCCN2CC(CN[C@@H]3CC3c3ccccc3)C2)cn1"]
["144583077","COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccccc3Cl)N2C(=O)N2CCN=C(O)C2)c(OC(C)C)c1"]
["131683860","Cc1ccc(CN(CCN(C)C)C(=O)Cc2c[nH]c3ccc(F)cc23)o1"]
["97224037","CCN(O)CCN=c1[nH]nc(-c2ccccc2)cc1C"]
["17981852","CCOc1ccccc1C[NH+](Cc1ccc(C(=O)OC)cc1)C[C@H](C)O"]
["27747351","N#Cc1cccc(-c2cc(Cl)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)n2)c1"]
["153685439","COc1ccccc1OCCNC[C@H](O)COc1ccc2[nH]c3ccc(F)cc3c2c1"]
["150568932","CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C(=O)N1CCc2nocc2C1"]
["10364138","CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@]2(O)[C@H](O)[C@H]1O"]
["MCULE-6915736699","CN1CC2(CCCN(C(=O)C3CCOCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cnn(C)c1)CC2"]
["108691455","COCCn1c([C@H]2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)nc2cccnc21"]
["94888698","Cn1cnnc1Sc1cc(Br)ccc1C#N"]
["139548477","CCc1cnc(CN=C(O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1"]
["138817975","Cc1cc2cc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2[nH]1"]
["196952488","CCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N=C(O)CCCCCCCCCCCCCCCCCCC)C(=O)O"]
["15449561","CC[C@H](N=C(O)[C@@H]1CC(=O)N(C2CC2)C1)c1ncc(-c2ccccc2)[nH]1"]
["MCULE-9863775744","Cc1cc(-c2ccccn2)cnc1N=C(O)c1ccc2c(c1)OCCO2"]
["54636522","COC(=O)CCC#Cc1c(N)ccc(Cl)c1Cl"]
["64053533","Cc1cccc(OCC(=O)N2CCC(CC(=O)O)C2)c1C"]
["196256590","CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COC(OCC[N+](C)(C)C)C(=O)O"]
["177123442","COCCOCc1ccccc1OCCCNCCc1ccc(Cl)cc1"]
["179837939","CC1(C)CCC(C(=N)I)=C([NH3+])C1"]
["77728301","C#Cc1cnc2c(c1)CCNC2"]
["143678648","Cc1cccc(CS(=O)(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)c1"]
["152847574","O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\\SC(=S)N(C4CCCCC4)C3=O)o2)c1"]
["63260163","C=C(CC(C)c1ccccc1)C(=O)[O-]"]
["67446507","CC1(C(O)=NCc2cn[nH]c2)CCCN1"]
["109196170","Cc1ccc2c(C)nc(N3CCC[C@@H](C(O)=NC45C[C@@H]6C[C@H](CC(O)(C6)C4)C5)C3)nc2c1"]
["198076566","CCCCC(O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1"]
["56278622","CCN1C2=C(c3ccccc3)C(C)CCN2c2nc3ccccc3nc21"]
["115907859","CCN(C(=O)CCNCc1ccccc1Cl)C1CCS(=O)(=O)C1"]
["MCULE-9452903131","Cc1ccc(F)cc1-c1ccc(C(=O)Nc2ccc(F)cc2)c(C(F)(F)F)c1"]
["14031518","COc1ccc(CN=C(O)C(C)(C)Cc2ccccc2)cc1"]
["85553674","CC(C)(C)SCC(CS)c1ccccc1"]
["97952298","CC[C@H](C)[C@H]1N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)=O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)[C@@H](C)C(=O)[C@H](C(C)C)N=C(O)C[C@@H]1O"]
["196826236","CN(C(=O)[C@@H](S[C@@H]1OC2C(O)CO[C@@H]2C(n2cc(C3C=C(F)C(F)=C(F)C3)cn2)C1O)C1(O)CCCC1)C1CCC1"]
["12604144","O=C(NCCC(O)=Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1"]
["108405253","COc1ccc(Cn2cc([C@@H](CC(O)=NCCc3ccccn3)c3ccc(F)cc3)c3ccccc32)cc1"]
["136484943","N#CCCCCN=C(O)Nc1ccc(OCC2CCCCC2)cc1"]
["51061434","CC1CCCN(CCCCN=C(O)C2CCCN(C(=O)OC(C)(C)C)C2)C1"]
["147968005","COc1ccc(/C=C2/SC(=O)N(CCN=C(O)C(C)Oc3ccc(Cl)cc3Cl)C2=O)cc1OC"]
["5181917","CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N[C@@H](C)CC)cc2)C(=O)C[C@@H]1c1ccc(C)cc1"]
["124807732","Cc1ccc(CN(C)C(=O)c2cccc(C(F)(F)F)c2F)o1"]
["131771609","C#Cc1cccc(N=C(O)CNS(=O)(=O)c2cc(F)c(F)cc2F)c1"]
["MCULE-8673163896","CC1CCCCN1C(=O)C(CSCc1ccccc1)N=C(O)C1CC(=O)N(Cc2ccccc2)C1"]
["108655575","C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(O)=Nc1cc([N+](=O)[O-])ccc1Cl"]
["198011896","CN(C)c1nc(=NCC(C)(C(=O)O)c2ccccc2)[nH]c2ccccc12"]
["MCULE-2281787289","CCn1nc(C)c2c1OC(N)=C(C(O)=NCCC(C)C)C2c1ccccc1Cl"]
["43992217","Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)cc2)n1"]
["85637571","Cc1cc(C)cc(CSCc2nc(C(C)(C)N)no2)c1"]
["MCULE-8221630325","OC(CN=C(O)C1CCCN(Cc2ccc(F)cc2)C1)=NCCc1cnc[nH]1"]
["30492860","CCCCC(CC)C[n+]1ccccc1N1CCOCC1.[Cl-]"]
["152252410","Cc1cccc(N=C(O)/C(C#N)=C\\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1"]
["116058093","CCc1cccc(CC)c1N=C(O)c1ccnc(NCc2ccncc2)c1"]
["MCULE-8976223355","CCOc1cccc(-c2ccc(CC(O)=Nc3cc(C)nc(C)n3)c(F)c2)c1"]
["61333117","CCOc1ccccc1C(O)=Nc1ccc([N+](=O)[O-])cn1"]
["121523807","COc1ccc(N=C(O)C(c2ccccc2)N2CCCCC2=O)cc1N"]
["142533163","OC(CN1CCc2ccc(F)cc2C1)=NCC1CC1"]
["162633996","Cc1ccc2c(F)c(CC#N)sc2c1"]
["3021781","Cc1ccccc1Cn1cccc1CN=C(O)Nc1ccc(F)cc1"]
["121668215","CCOCc1ccccc1CN=C(O)CNc1ccc(OCC(F)(F)F)cc1"]
["85448469","CNc1ncccc1CN1CC2CCCCN2CC1C"]
["MCULE-6504013607","CC(=O)O[C@@H](C(O)=NCCCn1ccnc1C)c1ccccc1"]
["69832514","C=CC1CCCN2CCCCC12.O=C(O)C(F)(F)F"]
["114857269","CCCCc1ccc(C(Br)c2cc(Cl)sc2Cl)cc1"]
["45213946","OC[C@H]1OC(Sc2ccccc2)C[C@H]1O"]
["156258618","NC1=C(C(O)=NC[C@@H]2CC2c2ccc(F)cc2)NC(O)=NC1"]
["114291450","CCN(CCS(=O)(=O)c1ccc(C#N)cc1)CC1CCC1"]
["186858238","COc1ccc(NC(=O)C2CCCSC2)c(C)c1"]
["159554424","CC(Oc1ccc(Cl)cc1Cl)C(O)=NC1CCN(C(=O)N(C)Cc2ccccc2)CC1"]
["192412317","COCCCCCCCC(=O)CCCCOC"]
["15064731","CCCCOC(=O)c1ccc(Nc2nc(O)cc(CSC(C)C)n2)cc1"]
["143671441","CCCOc1cn(-c2ccccc2)nc1C(=O)NC(C)(C)CC(=N)O"]
["177856745","CC(C)=CCC/C(C)=C/COC(=O)C[C@@H](N=C(O)C(C)N)c1ccccc1.Cl"]
["172741436","COC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1C"]
["147304117","NCCN(CCc1ccccc1)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2"]
["191876686","C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(C(=O)C(C)(OC)c4ccccc4)cc3)cc2CC)cc1"]
["MCULE-5773715138","CCOCCC(O)=Nc1cncnc1"]
["61982301","C=CCC(C)CC/C(C)=C/OC(C)=O"]
["15469329","COc1ccc(C([O-])=NN=C(O)[C@H]2CC=CC[C@H]2C(=O)O)cc1OC"]
["161829150","CCCCCC(=O)N(c1ccc(Cl)cc1C(F)(F)F)C1CCCCC1S(N)(=O)=O"]
["MCULE-2736209845","COCCN(CCOC)CCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1"]
["MCULE-8677359960","OC(CC(c1cccc(Br)c1)c1nccs1)=NCCCCc1ccccc1"]
["110567570","CO[C@@H]1C[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O"]
["113039425","CC(C)(CCCCl)CNS(=O)(=O)C1CC1"]
["196117541","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC(O)=NC(COP(=O)(O)OCC[N+](C)(C)C)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCCCC"]
["MCULE-8558372983","COCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1"]
["70667519","COC(=O)N1CCCC(c2nccn2Cc2ccccn2)C1"]
["2699748","COC(=O)CN1C(=O)C2(CC[NH+](C[C@H]3CC[C@H](C(C)(C)C)CC3)CC2)c2ccccc21"]
["108193495","Cc1cc(NC(O)=N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n(-c2ccccc2C(F)(F)F)n1"]
["24383984","COc1ccc(N2CC(C(=O)N3CCCC3)CC2=O)c(OC)c1"]
["MCULE-1998754927","CC(=O)c1ccc(-c2ccc(N(C)C(=O)c3cccc(N(C)C)c3)nc2)s1"]
["47063453","CCOCCCN1C(O)=NC(c2ccc(C)cc2)C(c2nc(-c3ccc(CC)cc3)no2)=C1C"]
["106861664","CC[C@@H]1CN(C)c2cc(S(=O)(=O)NCCN)ccc2O1"]
["114150169","CC(C)(C)OC(O)=NCC(F)(F)CNCC1CCCNC1"]
["82733094","CCC(C)C(NCc1ccc(OCc2cccc(OC)c2)cc1OC)C(=N)O.COc1cc(CN=C(O)C2CCCN2)ccc1OC(C)c1cc(F)cc(F)c1"]
["186726796","CCOC(=O)OCOc1c2n(ncc1=O)[C@@H]([C@H](c1ccccc1)c1cccc(F)c1F)[C@H]1CCCN1C2=O"]
["132921337","O=C1CCCN1Cc1cccc(C(=O)N(CC2CC2)c2ccccc2)c1"]
["54194293","CCC(CC)N(C)c1ccc(Cl)cc1N"]
["47513893","COc1ccc(C(=O)COC(=O)CSc2ccc(C)c(C)c2)c(OC)c1"]
["151986971","COC(=O)[C@@H]1CCc2cc(CBr)ccc2C1"]
["52601299","CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N=C(O)OCC)c1"]
["70477351","COc1cccc(C=CC(=O)OCc2cc(Br)cc3c2OC(c2ccccc2)OC3)c1OC"]
["33287804","COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2O[Si](OC[C@H]2O[C@@H](n3cnc4c(N=C(O)c5ccccc5)ncnc43)C[C@@H]2O)(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1"]
["87749540","CC(C)N1CCCNC(CO)C1"]
["29803136","O=C1C[C@@H](CC(=O)N2CCOCC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1"]
["199000986","CN(C)CCn1cc(C(O)=Nc2cccc3ccc(O)cc23)nn1"]
["144151405","COc1cc(C(O)=NCc2ccnc(C)n2)on1"]
["50361396","CCCCCCC1(CCCCCC)C2=C(CCC(C)=C2)c2ccc(N(c3ccc(-c4ccc5c(c4)CC5)cc3)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(C)ccc3-4)cc21"]
["51535006","CCOc1ccc(OCCOC(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CCC3)cc1"]
["50168381","CC[N+]1(CC)CCCC1CCN(c1ccccc1)C1Cc2ccccc2C1"]
["3357704","Cc1cc(=NC(=O)CN(C)C(=O)CN=C(O)c2ccc(Cl)cc2Cl)[nH]o1"]
["70305972","CC=C(C)C(=O)Nc1ccc(-c2cc(-c3cc4c([nH]3)CCN=C4O)ccn2)cc1"]
["119956778","CC(C)n1c(CBr)nnc1CCOCC(F)(F)F"]
["101150826","COP(=O)(OC)C(c1ccc(Cl)cc1)(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12"]
["168756276","CCOC(=O)C(Cn1cccn1)OC(=O)Nc1c(Cl)cccc1C#N"]
["96090473","CCCc1nc(CSCC(=O)N(C)c2ccccc2)cs1"]
["164332009","COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Sc2ccccc2)c2ccc(F)cc2)c1O"]
["61438326","CCOc1ccc(-c2nnc(CCN)o2)cc1"]
["51460999","COC(=O)CC(Cc1cc(P)c(F)cc1F)N=C(O)OC(C)(C)C"]
["46039352","CC(NCc1cccc(O)c1O)c1cccc(O)c1"]
["126824612","O=C(NCc1nnc2n1CCCC2)c1cc(-n2cccn2)ccn1"]
["172276487","COC1=C2CCCN=C2NC(CCCCCO[C@@H]2CCN([C@H](C(=O)O)c3cc(C4CCCCO4)cc(F)c3OC)C2)=C1"]
["112898934","CCc1ccc(CN=C(O)N2CCCC(CC(=O)O)C2)s1"]
["183264805","CCc1c(-c2nc3c(F)c(F)cc(F)c3s2)c2ccc(OC)cc2n1CC(=O)O"]
["MCULE-4136381125","Cc1ncc(N=C(O)c2cocn2)cc1-c1cc(F)c(F)cc1F"]
["13276237","CCCN=C(O)N=C(O)CN(C)c1cccc(C)c1C"]
["179932499","C1=CC2OOCCCC2N=N1"]
["11676274","Cc1ccccc1[C@H]1c2cccn2CCN1C(=O)CN(C(=O)C(C)C)C(C)(C)C"]
["MCULE-7287425590","O=C(Nc1nc2cc(-c3ccc(N4CCCC4)nc3)ccc2o1)c1cccs1"]
["MCULE-3436898415","Cc1cc(NC(=O)C(C)N(CC(O)=NC(C)c2ccccc2)S(=O)(=O)c2ccccc2)ccc1Cl"]
["140476255","C=C(C)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1"]
["171115346","C=CCCCCc1ccc(C=Nc2ccc(F)cc2)cc1"]
["183603401","[N-]=[N+]=NOCc1conc1-c1ccccn1"]
["66762800","CCCC(CO)(CO)c1ccccc1"]
["163417368","CC(=O)N1CCCC1c1nc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccn12"]
["31491755","Cc1cccn1-c1c(C#N)c2ccccc2n1-c1ccc(O)c(F)c1"]
["19781560","O=C(NCc1cn2ccccc2n1)c1ccc(-n2c[nH+]cn2)cc1"]
["57886381","CSCCC(N=C(O)C(N=C(O)C(CCC(=O)O)N=C(O)C(N)Cc1ccc(O)cc1)C(C)O)C(=O)O"]
["56733214","CC1CCCC(N(C)Cc2sccc2/C=C/C(=O)O)C1"]
["47650781","Cc1cc(OCC(O)=N/N=C\\c2ccccc2Cl)ccc1Cl"]
["148798254","CC[C@H]1OC(O)[C@H](N=C(O)/C(C#N)=C(\\C)c2ccc(-c3ccc4cc(N(C)C)ccc4c3)n2C)[C@@H](O)[C@@H]1O"]
["112028269","CC(O)CCN(C)c1ccnc(Cl)c1"]
["32872386","O=[N+]([O-])OCC(c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]"]
["MCULE-9417304879","COc1cc(N=C(O)c2ccc(-c3ccc(OC(C)C)nc3)cc2F)nc(OC)n1"]
["167665491","CCCCCCCC/C=C\\CCCCCCCCCCCCOC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC"]
["112635589","CCC1OCCC1CNc1ccc(C(=O)OC)c(F)c1F"]
["179769820","CC(C)C[C@@H](N)C(O)C(O)=NC(C(O)=N[C@H](C(O)=NC(CCC(=O)O)C(=O)O)C(C)C)C(C)C"]
["132066715","N#CCc1ccc(NS(=O)(=O)CCS(=O)(=O)c2ccccc2)cc1"]
["112714945","CCC(=CCNCC1(SC)CC1)C(=O)OC"]
["MCULE-6941027332","O=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1"]
["181460774","CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c(NN=[N+]=[N-])c1"]
["MCULE-1715246359","CCCCC(C(O)=Nc1cc(C(C)C)cc(C(C)C)c1)N(CC(O)=NCc1ccco1)S(C)(=O)=O"]
["158760093","CC(C)[C@H](N=C(O)NC(C)(C)C)C(=O)N1C[C@H]2CCCN2C[C@H]1C"]
["131860645","CC(C)CC(O)=NC(C(=O)OCc1cc(=O)n2ccsc2n1)c1ccccc1"]
["MCULE-3520886102","Cc1nn(C)c(C)c1-c1ccc(N=C(O)c2nn(C)c3ccccc23)c(C#N)c1"]
["MCULE-7286884345","COc1ccccc1Oc1ccc(C(=O)Nc2ncccc2-c2cnc(C#N)nc2)cc1"]
["64639888","CC(C)N=C(O)c1cc(N=C(O)C(C)N2CCC(C(O)=NC(C)C(O)=Nc3ccc(N=C(O)C(C)C)c(Cl)c3)CC2)ccc1Cl"]
["106612913","COC(=O)[C@@H]1O[C@H](Oc2ccccc2C(=O)OCc2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O"]
["120780409","CC(C)Cc1ccc(C2NCCNC2C)cc1"]
["MCULE-2352443206","COc1ccccc1CCC(O)=Nc1ccc2c(c1)OCCN2C(=O)CN1C(=O)c2ccccc2C1=O"]
["70472440","COc1cc2c(cc1OC)CN(C(O)=NC(C(=O)Nc1ccc(Cl)cc1)C(C)C)CC2"]
["51002616","COc1ccccc1Cc1cccc(C(F)(F)F)c1Cl"]
["185727882","Cc1ccc2c(c1)COCN2C1CCN(S(=O)(=O)C2(F)C=CC(F)=CC2)CC1"]
["95941684","CC1CCCN1C(=O)/C=C/c1ccc(N)cc1"]
["104658058","C#CCN[C@@H](CC)CC#N"]
["176056466","CN=c1nc2[nH]nc(-c3cccc(Br)c3)n2c2cc(-n3cnc(C(C)(C)C)c3)ccc12"]
["110544912","COc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n(CCc3ccccc3)c2=O)cc1OC"]
["105884027","CCc1c(C)nc(N2CCC(C)CC2)nc1NN"]
["87507946","CS(=O)(=O)c1cccc(SCC(O)CO)c1[N+](=O)[O-]"]
["79136664","C/C=C/C(=O)OCC(O)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C"]
["105744453","CN(CC[C@H](O)c1cccc(Cl)c1)Cc1ccsc1"]
["161800485","O=C1CCSN1Nc1ccccc1"]
["87466401","Cc1oc2ccccc2c1CNC1CCN(C(C)C)CC1"]
["50241928","CCC(C)C1N=C(O)C(NCC(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)C)N2CCCC2=O)Cc2ccc(cc2)OCCCN=C1O"]
["187171544","CC(C)(CCNCCC(C)(C)[Si-]O)[Si+]O"]
["28121297","Cc1cccc2c1OCC(O)=NC2C(=O)N(C)c1ccc(Br)cc1"]
["MCULE-8863177492","COC(=O)c1csc(CNCC(O)CO)n1"]
["150815421","CC(C)[C@H](CO)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccncc2)n1"]
["MCULE-8207687459","Cc1noc(C)c1-c1cc(F)c(C(O)=NCC(C)(C)CN(C)C)cc1F"]
["150523181","CN(C)c1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1"]
["105288668","C=C[C@@]1(O)CC2CC1C2"]
["84222374","Cc1ccc(Oc2cccc(F)c2[C@H](C)N)cc1"]
["142200661","CN=c1[nH]cc(C(O)=Nc2cc(C(=O)N(C)C)ccn2)s1"]
["157847692","Nc1c(N)c(N)c2c(c1N)C(=O)c1ccccc1C2=O.Nc1ccc(N[N+](=O)[O-])cc1"]
["156325361","CC(C)CN=c1nc(C2CC2)o[nH]1"]
["25069733","C=CCON=C(C(=O)O)c1csc(NS(C)(=O)=O)n1"]
["MCULE-4023816186","O=[N+]([O-])c1ccc(CN(c2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1"]
["129040616","COc1cc(C)ccc1OCC(=O)OC(c1ccncc1)c1ccc(F)cc1"]
["23705643","CCOc1cc2c(cc1CN=C(O)c1ccc(Br)cc1F)OC(C)C2"]
["159624556","Cn1cc(CN2CCOC(c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1"]
["80033239","COCOc1c(OC)c(C)cc2c1C1C3Cc4c(OC(C)=O)c(C)c5c(c4C(CO)N3C(C#N)C(C2)N1C)OCO5"]
["169514620","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC(COC(=O)CCCCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)COC1OC(C(=O)O)C(O)C(O)C1OC(=O)CCCCCCCCC/C=C\\C/C=C\\C/C=C\\CC"]
["30873664","CC(C)(C)OC(=O)n1nc(-c2cc3cc(CO)ccc3n2C(=O)OC(C)(C)C)c2sc(CN3CCCCC3)cc21"]
["54043678","SC(=Nc1ccc(Br)cc1Cl)N1CCCc2ccccc21"]
["69660222","COC(=O)C(C)(N=C(O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1"]
["45100629","CCC(C(O)=Nc1cc(C)ccc1N1CCCN(Cc2cccc(C)c2)C1=O)c1ccccc1"]
["MCULE-5348189890","Cn1ccc(C(O)=Nc2ncc(-c3ccc(F)c(C#N)c3)nc2N2CCCC2)cc1=O"]
["114767568","CC(C)(C)c1ccc(NC2(CO)CC2)nc1"]
["84960567","CCNC1CCCC1C(C)CC"]
["63997942","FC(F)(F)OCCNc1ccccc1I"]
["118282626","CCc1cnc(CCNC(=NC)NCCC(=O)N2CCN(c3ncccn3)CC2)s1.I"]
["66140141","O=C(O)c1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1"]
["172496526","CCN(CC)c1c(N=Nc2nccs2)cccc1N=C(C)O.I"]
["90565039","CC(O)=Nc1ccc(S(=O)(=O)c2ccc(C3(C)OC(O)C=CC3=O)cc2)cc1"]
["194503632","CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2OCC[C@H]2c2cncc(C#N)c2)[C@H](F)C1"]
["175830878","C=C(OC)C(=C\\CC)/C=C(/Br)C(O)=NC"]
["163652793","CCN(CC)C(=O)Cc1cccc2c(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)c[nH]c12"]
["113080050","COCC(CO)NCc1ccccc1N1CCCC1"]
["174383432","CNC(CCC(C)(NC)C(C)NC)C(C)(C)O"]
["27052474","CCS(=O)(=O)CC(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12"]
["46484779","CCn1c(SCC(=O)O)nnc1N1CCCC1(C)C"]
["153775910","Cc1cccc(N=C(S)/N=N/c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1"]
["MCULE-2502076046","CN1CCN(c2ccccc2N=C(O)c2cc(-c3ccc(F)c(CC(=O)O)c3)ccc2F)CC1"]
["21059846","CC(O)=N[C@H](CC(O)=[NH+]CC(C)(C)N1CCOCC1)c1cccs1"]
["75391345","COc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2C(C=O)N2CCCCC2)cc1"]
["162628939","CCC1(C)CNc2cc(F)cnc2N1"]
["157126071","CC(C)[C@H](C(O)=NCC1(C)COC1)N1C[C@@H](C)O[C@@H](C)C1"]
["180349447","OC(N=Nc1c(O)[nH]c2c1=CC(F)CC=2)=Nc1ccccc1"]
["MCULE-5073662843","Cc1ccc(Cl)cc1N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S"]
["1851807","Cc1nc(-c2cccc(N=C(O)N(C)Cc3ccc(F)c(F)c3)c2)oc1C"]
["67707977","Cc1ccc2c(c1)C(N)CC1(CCC1)O2.Cl"]
["84450250","Cc1ccc(OCc2nc(C(C)C)no2)c([C@@H](C)O)c1"]
["145389207","Nc1cc(Cl)nc(S(N)(=O)=O)c1C(F)F"]
["164228559","Cc1nc2nonc2c(N)c1Cc1ccncc1C#N"]
["140612985","CCC(CC#N)N=C(O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1"]
["168916610","CC(c1ccc2c(c1)OCC2)N1CCN(c2ncc3c(n2)OC(C)(C)C(O)=N3)CC1"]
["178490021","C=CN=C(O)CC[N+]1([O-])C(c2ccnn2C2CCC(C#N)CC2)=C(C)N(c2cccc(C(F)(F)F)c2)C1OC"]
["56993807","Cc1ccc(S(=O)(=O)NCCN=C(O)NC2CCCc3c2cnn3C)cc1"]
["32758217","CC1(OCCN=C(O)c2cnc3ccccc3n2)C(=O)N2C1N(C(=O)OCc1ccccc1)CC2(C)C"]
["132536535","COCc1cccc(N=C(O)[C@H](C)NC(=N)O)c1"]
["19734883","COc1cc([C@@H]2[C@@H](C(=O)/C=C/c3ccccc3)C(=O)C(=O)N2c2ccccc2)ccc1O"]
["MCULE-3032924541","CCc1ccnc(N=C(O)c2cc(OC)ccc2-c2cccc(C(=O)N(C)C)c2)c1"]
["117938887","CN=C(NCc1cccc(N(C)C)c1)N1CCN(c2ccccc2O)CC1.I"]
["90481097","CCCCC1=CC2C=NC(=O)N=C2O1"]
["180494236","C/C=C\\C=IC(C)=NC(=NC)C(O)=Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O"]
["91921247","Cc1[nH]c2ccccc2c1C(=O)C(C)N(C)CC1CCN(CC(O)c2ccccc2)CC1"]
["137820224","CCNC(=O)c1ccc(CN=C(O)N2CCCC2c2ccccc2OC)cc1"]
["140174081","CCC(C)NS(=O)(=O)c1ccc(C(=O)NCCS(=O)C(C)(C)C)cc1"]
["26905049","CCOC(=O)C(Cc1cc2cc(C#N)ccc2o1)c1ccc(OC(C)=O)cc1"]
["MCULE-5089066217","CC(O)CNc1nc(-c2cc[nH]c(=NCCC3=CCCCC3)c2)cc2cnccc12"]
["125860064","Cc1csc(C2(NCC(O)=NC(O)=Nc3cccc(C)c3C)CCCC2)n1"]
["174073194","COc1ncccc1C(CC(F)F)N=CC(=CN)[N+](=O)[O-]"]
["61500484","Cl.c1ccc2c(c1)ncc1cc[nH]c12"]
["192223620","COC(O)=N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(C5=CN=C([C@@H]6CCCN6)C5)ccc4c3)cc2[nH]1)C(C)C"]
["178614819","c1ccc(-c2nccc(-n3c4ccccc4c4cc5c6ccc7nc(-c8ccccc8)oc7c6n(-c6ccccc6)c5cc43)n2)cc1"]
["MCULE-3064196839","CCN1CCN(c2ccc(C(=O)Nc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc3OC)cc2)CC1"]
["111476757","CSCCn1nnc(C(=O)O)c1-c1cnn(C)c1"]
["70364605","O=S(=O)(/C=C\\c1ccccc1)Cc1nnc(CS(=O)(=O)CC(O)=Nc2ncc(-c3ccccc3)[nH]2)o1"]
["137165122","CC(C)(C)S(=O)(=O)CCN=C(O)N1Cc2ccccc2C2(CC2)C1"]
["152194318","COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)c1"]
["90273508","CN=C(O)N=C(O)C(OC(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccccc1"]
["141672065","Cn1cnnc1-c1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)cc1"]
["145263619","c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c3c2)c1"]
["152398849","CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1"]
["47679594","O=C([O-])C1CCCCC1Cl.O=C([O-])C1CCCCC1Cl.[Hg+2]"]
["MCULE-8427101541","O=C(Nc1ccc(N2CCCC2)cc1)N1CCC(N=C(O)C=Cc2cccc(F)c2)CC1"]
["20433141","C[C@@H](N=C(O)[C@@H](c1ccccc1)N1CCN(C)CC1)c1ccc(F)cc1F"]
["111129377","N=C(O)CCCN=c1[nH]cc(N)s1"]
["50955148","CC(C)C[C@@H](C(O)=Nc1nc(-c2ccc3c(c2)CCO3)cs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O"]
["172453825","O=S(=O)(c1c(O)cccc1Cl)N1C[C@@H]2C[C@H]1CN2"]
["68401056","Cc1c(N)cccc1-c1noc(-c2ccccc2[N+](=O)[O-])n1"]
["124860122","CCC(CC#N)N=C(O)C1(c2ccccc2)CCC1"]
["151707097","C[C@@H]1C[C@H]2CN(C(=O)C3=CCCCC3)CC[C@@H]2O1"]
["57479747","Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CCN(CC(=O)Nc4ccc(C(=O)Nc5ccc(C)c(F)c5)cc4C)CC3)cc2)c1"]
["198389373","COc1cc(N=Nc2ccc(N=NC3=CCC(N(C)C)C=C3)cc2)ccc1C(=O)O"]
["13766410","C[C@@H](Sc1nncn1C(C)(C)C)c1ccc(OC(F)F)cc1"]
["42982811","COc1ccc(C(=O)N(CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2ccccc2)cc1"]
["101329272","CC(C)(C)c1ccc2c(c1)N=C(CCC1CC(N(C[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)CC(F)(F)F)C1)C2"]
["172501944","O=C(O)N1CCCC(c2nc(O)c3oc4ccc(Br)cc4c3n2)C1"]
["128454522","CCC(O)=Nc1ccc(Cl)c(NCc2ncc(-c3ccccc3F)o2)c1"]
["91820050","CCCC(C)(CNC1CC1)C(C)CCOC"]
["MCULE-5298746001","Cn1c(C(=O)Nc2ccc(-c3ccc(C#N)nc3)cc2)cc2ccccc21"]
["167338988","ClC1=NP(Cl)(Cl)=NC(C(Cl)(Cl)Cl)=C1"]
["166820869","c1ccc([C@]2(CCNC3CCc4ccccc43)CCOC3(CCCC3)C2)nc1"]
["131188880","OC(=NC1CCCc2sccc21)c1ccccc1C(F)(F)F"]
["115919245","CC1CCCN(CCC(O)=Nc2cccc(C(F)(F)F)c2)C1"]
["42580397","O=C(O)c1cccc2[nH+]c3ccccc3cc12"]
["155325313","CC(C)(C)c1ccc2nc(CN=C(O)c3cccc(C(F)(F)F)c3)[nH]c2c1"]
["151447654","Cc1cc(-c2cncnc2)cc([C@H]2CN(C(=O)COCCN3CCCC3=O)CCO2)n1"]
["152813120","COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc(F)c3)cc12"]
["MCULE-1694649887","CN(C)c1ccccc1-c1cncc(CNC(=O)c2cc(=O)c3ccccc3o2)c1"]
["143704675","Cc1nn(C)c(Cl)c1CC(=O)C(C#N)C(=O)c1nccn1C"]
["131030074","Cn1cnnc1-c1ccc(N=C(O)C(=O)NCCCC2CCCC2)cc1"]
["113888850","COc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1Cl"]
["126594526","CCC(COC)N=C(O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1"]
["113856384","NCCc1n[nH]c(=NC2CC3CCC2O3)o1"]
["6733847","CCC[C@@H](C(O)=NCCC(C)C)N(C(=O)c1snc(C(=N)O)c1N)c1cc(C)ccc1OC"]
["51571417","NNc1snnc1CN1CCCN2CCCC2C1"]
["MCULE-7265015098","CCC(N=C(O)c1cc(C2CC2)n2nc(C)cc2n1)C(O)=Nc1ccc2c(c1)C(=O)N(C)C2=O"]
["97500444","CCOC(=O)c1c(C)nc(SN2CCOCC2)nc1-c1ccc(OC)cc1"]
["34226804","COc1ccc(N2C(=O)C(C)(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2c2cccc(OC)c2OC)cc1"]
["24058315","O[13c]1[13cH][13cH][13cH][13c]2[13cH][13cH][13cH][13cH][13c]12"]
["62162922","NN=C(O)c1c(CSC2CCOCC2)oc2ccccc12"]
["80933071","O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ncnc(N3CCC(C4CCNN4)CC3)c2C1"]
["190886194","C=CC(=O)C[C@H]1CCCN(c2nnc(C(N)=O)c(Nc3ccc(C(C)C)cc3)n2)C1"]
["107993341","C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nccc(N(C)C)n1"]
["64536039","C=C[C@@H](C)[C@H](OC(O)=Nc1ccc(F)cc1F)c1ccc(OCCO)cc1"]
["182701303","[N-]=[N+]=NOC1OC=CC=C1N1CCCC1"]
["50623173","O=C(OCC(O)=Nc1nc(-c2cccc3ccccc23)cs1)c1ccco1"]
["173947195","CC1CC(N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B(c3ccccc3N4c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3sc4cc5c(cc4c32)C(C)(C)CCC5(C)C)=CC2=C1C(C)(C)CCC2(C)C"]
["82553585","CC1C2=C(CCC2CC(N=C(O)N2CCN(c3ccccc3)CC2)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1"]
["58809679","Cc1c(C#N)c(N=C(O)CN2CCC(N=C(O)c3ccccc3)CC2)n(C2CCCCC2)c1C"]
["MCULE-5519056632","COc1ncc(OC)c(N=C(O)Cc2ccccc2-c2ccccc2F)n1"]
["139163234","Cc1noc(C)c1C(C)CN=C(O)c1c(F)cc(C#N)cc1F"]
["58173821","CCCCC1(c2ccc(F)cc2)N=C(O)N(CC(=O)c2cc(C)n(C(C)C)c2C)C1=O"]
["60472890","CC1C(=O)CC(c2ccccc2Cl)NC1c1ccccc1Cl.Cl"]
["80545797","COc1ccc(OCCN=C(O)C2CNNC2c2ccc(F)cc2)cc1"]
["MCULE-6184336810","COc1ccc(-c2ccnc(C(O)=Nc3ncc(C#N)cn3)c2)c(F)c1F"]
["173004940","CCOC(=O)/C=C(\\CF)N1CCCC1"]
["31168516","COc1ccc(N(C2=CC(=O)C3C4C=CC(C4)C23)c2ccc(OC)cc2)cc1"]
["MCULE-6451988681","O=C1C(NCC(O)c2ccc(Cl)cc2)=C(c2cccs2)C(=O)N1Cc1cccs1"]
["119480582","Cc1nc(NCc2ccc(Cl)cc2)cc(N2CCc3ccccc32)n1"]
["2972052","Cn1nc(C(C)(C)C)c2c1N(CC(=O)[O-])C(=O)CS[C@@H]2c1cccc(F)c1"]
["133799921","CCOC(=O)C(C)(C)C(O)=Nc1ncn(Cc2ccc(C#N)cc2)n1"]
["15727046","COC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)cc1"]
["94898969","NN=C(O)Cc1ccccc1Cn1cc(F)c(O)nc1=O"]
["156778606","O=C(c1ccccc1)N1CCC[C@H](C(O)=N[C@H]2CCOC3(CCCCC3)C2)C1"]
["MCULE-5736489167","CC(C)N1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccccc2Cl)C1=O"]
["79499085","CC(C)(C)[Si](C)(C)OCC#CCOCCOCCOCCOCCN=[N+]=[N-]"]
["51341206","CCC(Oc1ccc(C)cc1[C@@H](C)O)C(=N)O"]
["43963432","COc1ccc(N=C2S[C@@H](C(=N)O)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1"]
["45587806","CC(=O)C1CC2=C(CC1C)C(C)(C)C(C)=CC2(C)C"]
["47073786","CCOc1cccc(N=C(O)CC2SC(=Nc3ccccc3OC)N(CC)C2=O)c1"]
["9196196","O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC(=O)N1Cc1ccccc1Cl"]
["109523113","COc1cc(Cl)c(C)cc1N=C(O)[C@H](C)N1CCN(C(=O)c2cccc(Cl)c2)CC1"]
["172877554","CC(=O)c1cc(C(=O)c2ccccc2)n2c(C)cccc12"]
["MCULE-9245327142","COc1ccc(-c2c(F)cccc2C(O)=Nc2ncccn2)cc1F"]
["162046353","Cc1cc(N[C@H](C)c2cccc3ccccc23)cc(=O)o1"]
["83184505","CC(C)S(=O)(=O)c1ccc(Nc2nn(CC(C#N)C3CC3)c3ccnc(O)c23)cc1"]
["114634489","CNCc1cc(Br)c(OCC(=O)N2CCOCC2)c(Br)c1"]
["MCULE-4199177098","CCCOc1ccc(C)cc1N=C(O)c1cc(-c2ccc(OC)cc2)n2nc3ccccc3c2n1"]
["165425374","Cc1cc(C2C(c3ccccn3)N=C(S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(Br)c1"]
["127375546","Cc1cn2c(CN(C)C(=O)c3ccnn3C)c(C)nc2s1"]
["MCULE-5683623926","CNC(=O)c1ccc(-c2cnc(N=C(O)C3CSCN3C(=O)OC(C)(C)C)nc2)cc1"]
["MCULE-9254720804","Cc1ccc(C(O)=NC23CC4CC(CC(C4)C2)C3)cc1-c1ccc(CC#N)cc1"]
["66543956","COc1cc2c(cc1OC)CN(CC(O)=[NH+][C@@H](Cc1ccccc1)C(C)=O)CC2"]
["99880973","O=C(O)c1ccc(N=NCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1"]
["MCULE-7671202573","CC1CCCN(S(=O)(=O)c2ccc(CCNC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)C1"]
["187935345","COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc(OCC2(C)COC2)nn1"]
["169746665","CNCCC(N=O)C(=O)O"]
["MCULE-5926632605","Cc1ncc(C(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)c(C)c2)cn1"]
["117585500","O=C(CNCC(c1ccccc1)N1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1"]
["166897182","CC(C)C[C@H](N)CS(C)(=O)=O.Cl"]
["69905185","CC12CCC3C(CC=C4CC(OP(=O)(O)O[N+](C)(C)C)CCC43C)C1CCCC2=O"]
["161941031","CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1.CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1.CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3ccccc32)cc1"]
["MCULE-6778011558","COc1cccc(OC)c1C(O)=NC(C(=O)N1CCN(CCCc2ccc(Cl)cc2)CC1)C(C)C"]
["163490834","C=C(C)NC(C)(C)CBC(C)C"]
["49101020","CCOC(=O)Cn1c(=NC(=O)c2ccc(OC)c(OC)c2)sc2cccc(OCC)c21"]
["96488312","O=P(C1=CC=CCC1)(c1ccccc1)c1ccc(-n2c3ccccc3c3ncc4c5ccccc5n(-c5ccccc5)c4c32)cc1"]
["185091669","O=C(O)c1cc2cccc3c(ccc4ccccc43)c-2c1"]
["48012600","CNc1ccc(N(C)C)c([N+](=O)[O-])c1"]
["168877253","CCOC(=O)c1cn2nc(C(C)(C)C)cc2nc1C"]
["115564505","CCOc1ccc(C2/C(=C(/O)c3ccc(OC)c(C(C)C)c3)C(=O)C(=O)N2c2ccc(C(C)C)cc2)cc1"]
["30184223","COc1cc(Br)cc(C(=N)O)c1N=C(O)c1cccnc1"]
["64534939","Cc1ccccc1OCc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)o1"]
["54571390","CCCOc1ccccc1NC(S)=N[C@@H]1CCCC[C@@H]1C"]
["82138418","CN(C)NN=C1N=CN=C1C(N)=O.CN1NNc2c(C(N)=O)ncn2C1=O"]
["29104492","CC(C)(C)OC(=O)N(CCCCN)CCCN=C(O)OCc1ccccc1"]
["MCULE-6039135920","CCOc1ccc(-c2ccc3oc(C(=O)N4CCN(C(=O)c5ccc(OC)cc5)CC4)cc(=O)c3c2)c(F)c1"]
["MCULE-2361123728","COc1ccc(=NC(=O)c2cc(-c3ccccc3F)ccc2OC)[nH]n1"]
["155116110","Cc1ccc(C)c2[nH]c([C@H](O)[C@@H](O)CO)nc12"]
["14551044","C=CCN=C(O)Nc1ccccc1N1CCN=C(O)C1"]
["58036971","COC(=O)c1ccoc1CN(C1CC1)S(=O)(=O)c1cccnc1"]
["150995646","CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N\\NC(=N)O)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O"]
["135566844","CNC(=O)c1ccc(N=C(O)C(=O)NCC2(c3cccs3)CCCCC2)cc1"]
["151511662","O=C(CN1CCC[C@H](c2ccncn2)C1)N1CCOCC1"]
["135648092","COC(=O)C1(C)CCN(C(=O)N=c2cc(C)n(-c3ccc(C)cc3)[nH]2)C1"]
["23506052","CC1CN(c2ccc(N=C(O)N3CCCCCC3)cc2F)CC(C)O1"]
["17364003","COC(=O)[C@@H]1Cc2ccc(I)cc2N1C(=O)OC(C)(C)C"]
["142352985","Cc1c(C(=O)Nc2ccnn2-c2cccc(F)c2)cnn1-c1ccccn1"]
["171216401","CCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCOC(=O)C(Cl)C(C)C)cc3)cc2)CC1"]
["134680350","COc1cc(F)ccc1NC(=O)C(=O)NCC(C)N(C)C1CC1"]
["137888169","COc1cc(C#N)ccc1OCC(O)=NCC(C)N(C)Cc1ccccc1"]
["MCULE-2665282819","CCOc1ccc(C(=O)N2CCCC2C(O)=NC(C)C)cc1"]
["122549929","Cc1oc2ccccc2c1C(O)=NCc1ccn2ccnc2c1"]
["170622921","[O-][N+]1=C2CCCC[C@H]2C[C@@H]1CBr"]
["101512040","COc1cccc(OC)c1-c1cc(C(O)=NOC(=O)C2(C)CCCC2)nn1-c1ccnc2cc(Cl)ccc12"]
["107731366","CCNC[C@@H](O)c1cc(C(C)C)ccc1C"]
["163807877","Cc1cccc(CN2CCCC(O)(Cc3nc(C)no3)C2)n1"]
["48950829","CC(C)(C)OC(=O)C(OC(=O)n1c(C[C@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc2ccccc21)c1ccccc1N([O-])O"]
["193491646","CCCCCCO[Cl+3]([O-])([O-])[O-].CN(C)c1ccc(C=Cc2nc3ccc([N+](=O)[O-])cc3s2)cc1"]
["128884517","COc1ccc(F)cc1CN=C(O)CCCOc1cccc(F)c1"]
["MCULE-2212209206","CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(O)=Nc1cc(C)cc(C)c1"]
["109364192","C[C@@H](N)C1CCN([C@@H](CC#N)c2ccccc2)CC1"]
["16667332","OC(CSc1nc(-c2ccccc2)nc2ccccc12)=Nc1cncs1"]
["33634394","CN1CCN(c2ccc(C(O)=Nc3n[nH]c4c3CN(S(=O)(=O)c3cccc5cccnc35)CC4)cc2)CC1"]
["11054006","COc1ccc(-c2ccc(=O)n([C@H](C)C(O)=NCCOc3ccc(-c4ccco4)nn3)n2)cc1"]
["61134995","OC=NCCCN1CCc2ccccc21"]
["181923458","CC1C(Cl)OC2C1CC(C)N2C"]
["146915794","CC(C)N(CCC(=O)O)C(=O)CCC(C)(C)c1ccccc1"]
["175641461","C=C(C)c1ccc(N2CCCCC2)cc1.CC.CC"]
["181287407","CCC=C1C(O)=Nc2cc(C(=O)OC)ccc21"]
["183119647","CCCCCCCCC(C)Oc1ccc(F)cc1"]
["83265021","N#CC(Cc1ccc(F)cc1)N=C(O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCC2(N=C(O)OCc2ccccc2)CC1"]
["57300264","OC(CN=C(O)C1COc2ccc(Cl)cc2C1)=NCC(F)(F)F"]
["MCULE-9386714962","Cc1ccc(=O)n(CC(=O)N2CCC(C3CCN(C(=O)c4ncccc4C)CC3)CC2)n1"]
["88832851","COC(=O)c1cccc(-c2nnc([C@@H](O)CN)o2)c1"]
["195578994","CC(=O)OC1C(N)[C@@H]2OCC(O2)C1(C)O[C@@H]1OC2COC(c3ccccc3)O[C@H]2C(OCc2ccccc2)C1OCc1ccccc1"]
["63873073","COC(=O)c1cc(N(C)C2CCCN(C)C2)c(F)cc1N"]
["115113566","Cc1ccc(Sc2ccccc2F)c(CNC(C)C)c1"]
["MCULE-6442540342","N#Cc1cccc(N=C(O)C(Cc2ccccc2)N=C(O)c2cc(C3CC3)n3nc(-c4ccccc4Cl)cc3n2)c1"]
["192082534","Cl.Cl.[C-]#[N+]c1cc(C(CO)NC2CCC2)cc(Br)c1N"]
["169000221","COC(=O)c1c(C(=O)O)c(CCl)cc(O)c(O)c1=O"]
["MCULE-7804201832","COc1ccc(OC)c(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(C3CCCCCCC3)C2=O)c1"]
["MCULE-4557691574","COc1ccc(CCN=C(O)C(C)(CN)Cc2ccc(OC)cc2)cc1"]
["73916297","Nc1nnn2cn[nH]c12"]
["174657985","COc1ccccc1C(=O)O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"]
["137347325","COCCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C"]
["111036320","FC(F)(F)Oc1ccc(OCc2ccccn2)cc1Br"]
["50690767","CCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCS)COP(=O)(O)OC1C(O)[C@@H](O)C(O)[C@@H](OP(=O)(O)O)[C@H]1O"]
["170971928","COc1ccc(OC)c(N2CCN(CCNc3nccc(CC(=N)O)n3)CC2)c1"]
["86039616","CC(C)(CN=C(O)[C@@H](N)C(C)(C)C)c1cccs1"]
["MCULE-4505989727","CCN1CCN(c2ccc(C(=O)NCc3cncc(-c4cc(C)cc(C)c4)c3)cc2)CC1"]
["182921887","[N-]=[N+]=NC(O)C(Cc1ccccc1)N=C(O)OCc1ccccc1"]
["MCULE-8661466227","COc1cc(C(O)=Nc2cncc(C)c2)c(-c2cc3ccccc3o2)cc1OC"]
["83338454","CCOc1ccc(-c2c(C#N)c(N)oc3cc(C)nc(=O)c2-3)cc1OCC"]
["3260659","CC(C)[C@@H](CN=C(O)COc1ccc(C=O)cc1)c1ccccc1"]
["107791986","CC(C)[C@@H]1CN(C2CCCCCC2)[C@H](C)CN1"]
["11458032","Cc1cc(C)cc(N=C(O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)c1"]
["88611347","CCN=C(O)C1COCCN1c1ncnc(NN)c1OC"]
["MCULE-8476779663","Oc1nccc(Cl)c1-n1nc(-c2ccccc2)c(Br)c1Br"]
["83621725","CCCOC(=O)CCCCCCCCC(O)C[NH+]1CCCCC1"]
["126352646","CCOc1c(Cl)cc(CN=C(O)CCOc2ccccc2F)cc1OC"]
["24813137","CC1(C)CC(=O)C2=C(C1)N=C1NNC(c3ccccc3)=C1C2c1cccc(Br)c1"]
["93289733","CC(C)CNCC(C(C)C)N1CC2CCCC2C1"]
["63000047","Cc1ccc(CC(O)=Nc2ccccc2C#CCN)cc1"]
["130110729","O=C(OCCn1cnc2ccsc2c1=O)c1cccc(Cl)c1Cl"]
["77525858","O=C1N=C(O)C(C2[NH2+]CCc3c2[nH]c2ccccc32)C([O-])N1c1ccccc1"]
["195163212","COc1nc2ncsc2c(OC)c1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12"]
["187009951","CC(=O)[C@H](CCCNC(=N)O)N=C(O)CN=C(C)O"]
["MCULE-9903171895","COc1ccc(C(C)N2C(=O)C(NC3CC3)=C(c3ccccc3F)C2=O)cc1OC"]
["185341827","CS(=O)(=O)N1CCN(c2nc3cc(C(=O)[O-])ccc3nc2-c2ccccc2)CC1"]
["88479188","CC1CNC(c2cc(Br)ccc2F)CS1"]
["120346771","O=S(=O)(NC1CCCCC1CO)c1cc[nH]n1"]
["MCULE-9165354906","COc1ccc(F)c(-c2cc(F)cc(C)c2N=C(O)CCC(=O)c2ccc(S(C)(=O)=O)cc2)c1"]
["9393053","CCOCc1ccccc1CNC(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C"]
["MCULE-5100440146","OC(=NCCCc1nn2c(Cc3ccc(Br)cc3)nnc2s1)c1cccc(F)c1"]
["30439160","COC(=O)C(CC(=O)O)=C(O)C(=O)N(Cc1ccc2ccccc2c1)[C@H](C)[C@H](CC=Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2"]
["147453394","O=C(Nc1nc(CCC(O)=NCc2ccccc2OC(F)(F)F)cs1)c1cccs1"]
["126778164","COc1cc(C(C)=O)ccc1SCc1cn2cc(C)ccc2n1"]
["70690645","Cc1ccc(C(=O)N2CCCC(c3nnc(Cn4cccn4)n3C)C2)s1"]
["95435639","CC(C)(C)OC(O)=NCCNCC1(CCO)CC1"]
["85684733","CNC(CN1CCC(C)(C)C1)c1ccc(C)cc1"]
["14233789","CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(C)=O)c1C"]
["174738288","C=CN=C(N=C)C(=C\\C)/C=C(\\C)c1ccc(C2(C)NC(=C)N=C2O)cc1"]
["88690556","Cc1nc(N2CCOC(C)(C)C2)ncc1CCl"]
["MCULE-1360249850","COc1cc(CC(=O)N2CCN(Cc3ccncc3)CC2)c(-c2cc(OC)c(OC)c(OC)c2)cc1OC"]
["145062016","COc1c(C)cc(C)c(Br)c1CC1CCNCC1"]
["19100397","CC(C)CN1CCO[C@@H](CN=C(O)CN=C(O)c2ccc3ccccc3c2)C1"]
["7584238","C[C@@H](CCc1ccccc1)N=C(O)[C@H]1CS[C@H](c2cccs2)N1C(=O)c1ccccc1Cl"]
["110985410","Cc1ccc(S(=O)(=O)OCC2(C)CCS(O)(O)CC2)cc1"]
["154469992","O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1"]
["32456043","COc1ccc(C(=O)N(C)[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F"]
["33259961","Cc1ccc(Nc2cncnc2)c(C(O)=Nc2ncc(C)s2)n1"]
["MCULE-8191684294","CCCCCC=Cc1c(F)cccc1F"]
["158051621","C=CC(=O)O.OCC(O)Oc1ccccc1-c1ccccc1"]
["192527790","CN1OCCC1C(C)(C)C"]
["137998913","CC(CN1CCOCC1)N=C(O)N(C)C(C)C(C)c1ccc(Cl)cc1"]
["174020249","CC(C)(CCc1ccccc1N)OC(C)(C)CCc1ccccc1N"]
["53067501","CCN=C(O)CN=C(O)COC(=O)c1cc(Br)ccc1O"]
["4563689","CC[C@H]1CN(C(=O)[C@H]2CC[C@@H](OC)CC2)CCC(=O)N1Cc1ccccc1"]
["107936672","CCn1cc(CC(=O)N2CCC[C@@H]([C@@H](C)O)C2)c2ccccc21"]
["156388170","c1ccc2cc(C3=NC(n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7ccccc7c6)c54)=NC(c4ccc5ccccc5c4)C3)ccc2c1"]
["54473596","COc1cc(S(=O)(=O)NC2CCC(C)CC2)ccc1N=C(C)O"]
["46177941","CC(C)C(CCCS(C)(=O)=O)CNC1CC1"]
["171162606","Cl.N[C@@H](c1ccc(Cl)cc1)[C@H](O)C1CC1"]
["28471122","CC(C)CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(OC2CCN(C(=O)OCC(F)(F)F)CC2)ncn1"]
["MCULE-9714153692","Cc1oc2cc3oc(=O)c(CC(O)=NCCc4ccncc4)c(C)c3cc2c1C"]
["4819539","Cc1nc(N=C(O)CSc2nnnn2C2CCCC2)sc1Cc1ccccc1Cl"]
["183246074","Cc1ncccc1CC(C)(C)N=[N+]=[N-]"]
["49502824","CC(OC(=O)COc1ccccc1Cl)C(O)=Nc1ccc2c(c1)OCCO2"]
["20490081","COc1cccc(C[C@@H](N=C(C)O)C(O)=NCCCCNc2ccccn2)c1"]
["172824977","Cc1cc(C(c2ccccc2)C2C=CC=C2)c2c(c1C)-c1ccccc1C2"]
["MCULE-9702723416","COc1ccc(N2CCN(C(=O)c3nonc3OCC(O)=Nc3ccccc3)CC2)cc1"]
["MCULE-1102927990","CC(C)N1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2cccc3ccccc23)C1=O"]
["MCULE-1717263264","COc1ncccc1-c1ccc(F)c(C(=O)Nc2ccc(Cn3cncn3)cc2)c1F"]
["98818767","CCCCCCCC(O)=NC(Cc1ccc2c(c1)OCCO2)CN1CCCC1COC"]
["174852861","Cc1ccc(C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1"]
["MCULE-8063414950","CCOC(=O)c1c(SC)nn(Cc2ccc(Br)cc2F)c1I"]
["56774659","CC1(C)N=C(O)N(CC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)C1=O"]
["14903259","Cc1c(N=C(O)CN2C(=O)c3ccccc3C2=O)cccc1C(=O)N1CCc2sccc2C1"]
["188901994","CCC1C(O)=Nc2cccc(Cl)c21"]
["96600658","COC(=O)c1[nH]nc(C(C)(CCc2ccccc2)O[Si](C)(C)C)c1C(=O)OC"]
["123604286","N=C(O)c1ccc(Cl)cc1N=C(O)c1ccccc1Cl"]
["163898138","CC(O)(C[N+]1(C(CC(=O)O)C(=O)O)C=C(F)C=N1)C(O)=Nc1ccc(C#N)c(C(F)(F)F)c1"]
["MCULE-7076328671","COc1cccc(CCN=c2ccc(N=C(O)c3cc(OC)c(OC)c(OC)c3)c[nH]2)c1"]
["58232356","CCCNC1CCC(C)CC1N1CC2CCC(C1)O2"]
["83567227","CCCCCCC=CCC=CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C"]
["MCULE-5332852079","COc1cc(C(O)=NC(Cc2ccccc2)C(=O)N(C)CCc2cnc[nH]2)c(Br)c(OC)c1OC"]
["MCULE-6538102108","CC(C)Oc1ccc(C=C(C(=O)N2CC(C)OCC2(C)C)c2ccccc2)cc1"]
["142037931","COCCN(CCN=C(O)C1CC12CCc1ccccc12)C(=O)OC(C)(C)C"]
["189160589","CCC(O)=Nc1cccc(Br)c1F"]
["105824686","CCCN[C@H]1CCC[C@H]1c1cc(Cl)ccc1OC"]
["MCULE-4352514521","O=C(NCC(O)=NC1CCCCCCCCCCC1)c1ccc(-c2ccccc2)cc1"]
["102641544","Cc1nc(N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-]"]
["62954016","CCOC(=O)c1ccc(C)nc1-c1cccnc1"]
["78416013","C=N[C@H](C(C)=O)[C@@H](C)O"]
["MCULE-7060562462","CCC(=O)Nc1ccc(N2C(=O)C(Nc3cccc4cccnc34)=C(c3ccc(N=C(C)O)cc3)C2=O)cc1"]
["MCULE-5930725779","CCC(N=C(O)c1cccc(OC)c1)C(=O)N1CCCCCC1"]
["MCULE-5600167012","COc1ccc(C(C)n2ncc(SC)c2Cl)cc1"]
["174506422","CC(C)CCCC(O)=NC(C=O)CCCNC(=N)N[N+](=O)[O-]"]
["101237218","O=[N+](O)c1ccc(C#C/C=C/C#Cc2ccc(O)cc2)cc1"]
["148232195","COc1cccc(C(=O)N2CCC(C(=O)O)CC2)c1OC(F)F"]
["121318691","CC(C)N1C(=O)CC(N=C(O)c2[nH]c3ccccc3c2Br)C1=O"]
["70095149","O=C(NC1CC(c2ccncc2)CN=C1O)c1ccc(N2CCCNCC2)cc1"]
["MCULE-2112689457","O=C(c1cccc(F)c1-c1cc2ccccc2o1)N1CCCc2ccccc21"]
["88526844","CC1CCCC(C)N1NC(O)=NC(CC(=O)O)C(=O)O"]
["159052134","C=CC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1"]
["49663699","CCCCN=C(O)C(C)Nc1cccc(COC)c1"]
["169248818","C#CCN=C(O)C(CCC1(C)NN1)N=C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(O)[C@]12C"]
["18167600","COc1ccc2c(c1)c([NH+]=C(C)O)c1n2C[C@@](C)(C(O)=NC2CCCC2)N(CCN(C)C)C1=O"]
["138020334","Cc1cnc(CNC(O)=NCc2ccccc2S(=O)(=O)NC(C)(C)C)s1"]
["156795576","Cc1nc(C(=O)N2CCC[C@@](C)(O)C2)ccc1C#N"]
["152820322","CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(O)=Nc2ccccc2)cc1"]
["50993724","CC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)Cc1ccc2c(c1)OCCO2"]
["MCULE-3846907561","CCN(CC)c1ccc(N=C(O)c2nonc2OCCCc2ccccc2)cc1"]
["114238617","Nc1cn(-c2ncncc2Cl)nc1C(=O)O"]
["33972763","CC1=C(C#N)N(N(C)C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1"]
["199329525","CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N(C)CCc1cccc(N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OC(C)(C)C)c1)OC)N(C)C(=O)[C@@H](N=C(O)[C@@H](C)N(C)C)C(C)C"]
["190594370","CC(C)[C@H](Nc1c(-c2nc3ccc(N4CCCCC4)cc3[nH]2)c(O)nc2ccccc12)c1ncccn1"]
["18169303","O=C(Nc1ccc2c(c1)N=C(O)CO2)c1ccc(N=C(O)c2ccco2)cc1"]
["48260509","O=[N+]([O-])[O-].[F]"]
["MCULE-9741754454","CN(C)CCCN=C(O)c1cn(-c2ccc(N(C)C)cc2)c(=O)cc1O"]
["86778812","OC(c1ccc2c(c1)COC2)c1cccc(Cl)c1F"]
["171648204","COc1nc(C)c(C2CCCN2)cc1C(F)(F)F.Cl"]
["11137479","CCCN(C)C(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O"]
["25866554","CCCCCC[C](CC(C)C)C(CCCCC)CCCCC"]
["161317700","Cc1nc(-c2ccc3occ(C)c3c2)cc(=N[C@@H](C)c2cccc(-c3cnc(N4CC[C@H](O)C4)nc3)c2)[nH]1"]
["171308155","CCC(C)OC(OC(C)CC)[Si]C[Si](C)(C)OC(C)CC"]
["189965593","Cc1nc(-c2cccc(CN)c2)c(C)nc1Sc1cccc(Cl)c1Cl"]
["MCULE-6859205411","CCN(CC)C(=O)c1ccc(-c2cncc(N=C(O)CCCCC3CCSS3)c2)cc1"]
["19255484","C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2csc[nH+]2)C1"]
["27200476","CCC(=O)C(C(C)=O)(C(C)=O)C(N)O"]
["79490264","CCO[Si](CCC(=O)SCCC(=O)O)(OCC)OCC"]
["66907967","COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c1"]
["25534189","CC(C)N1CC(CCN2CCC(O)(c3ccccc3)CC2)c2nc3ccccc3n2C1=O"]
["199596382","COC(=O)/C=C(/Nc1cccc(-c2cn3cccc(C)c3n2)c1)C(=O)OC"]
["61629148","Cc1ccc(C2SCCN2C(=O)c2ccccc2C)s1"]
["150620682","C=C(C)[C@@H]1CC[C@]2(NCC(O)CN3CCS(O)(O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]
["107182931","NC[C@H](CCC(=O)Nc1ccc(F)cc1)c1ccccc1"]
["75142359","C=Cc1cnc(Oc2ccc(N(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H](C)COC)c(C(=O)OC)c2)c(C(F)(F)F)c1"]
["143875491","CCN(CC)CCN=C(O)c1cc(N=C(O)CC(C)C)ccc1Cl"]
["94376923","CCOc1cc(NCC2(CO)CC2)cc([N+](=O)[O-])c1"]
["127373516","CC(C)(C)OC(O)=N[C@H](C(O)=N[C@@H]1C=C[C@H](CO)C1)c1ccccc1"]
["95377496","CCOC(C)(C)C(NN)C1CCC(CC)CC1"]
["91402894","CCCN1CCC(c2cc(N)ccc2C(=O)O)CC1"]
["172180327","CC(CO)(CO)C([O-])=NS(=O)(=O)c1cccc(C#N)c1"]
["199075511","O=C1N=C2C=CC=CC2C(=O)N1c1ccc(O)cc1"]
["162120268","NCCc1cc(-c2cccnc2)cs1"]
["18294253","CC(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1"]
["175472740","CC(=O)O[C@@H](C1CCC2C(CC3C4CCC5C(C)(C)[C@@H](OC(O)=NCCN(C)C)CCC56C[C@@]46CCC23C)O1)C(C)(C)O"]
["75583383","OC(=NC(C1CCOCC1)C(O)C1NN=C(S)O1)C1CCCCC1"]
["154370842","Cc1ccc(/C=N/N=C(O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1"]
["194092116","CCCCCCCCOc1ccc(-c2noc([C@@H]3[C@@H](O)CCN3C(=N)NO)n2)cc1C"]
["153156886","COc1ccc([C@@H]2c3c(/C=C/c4ccccc4)nnc(O)c3N=C3N=NNN32)cc1"]
["61499924","CCN(CC)CCN1CC(C)C(OC(=O)c2ccccc2)CC1C.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O"]
["140462824","Cc1ccc(CN(C)C(=O)c2ncoc2C)cc1"]
["50412854","Cc1nc(Cl)cc(=NCCn2ccnc2)[nH]1"]
["MCULE-6543209244","CC(=O)c1cccc(-c2ccc(CCC(O)=Nc3nnnn3C)c(F)c2)c1"]
["MCULE-8480879595","COc1ccc(F)c(F)c1-c1ccc(NC(=O)Cc2ccsc2)c(C#N)c1F"]
["MCULE-5377220871","CCN(CC)CCCN=C(O)C1CC(O)CN1C(=O)c1ccc(NS(C)(=O)=O)cc1"]
["163708469","O=C1C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])cc2-c2ccccc21"]
["MCULE-7059619274","CC(O)=Nc1ccc(N=C(O)c2nonc2OCC(O)=Nc2ccc3c(c2)OCO3)cc1"]
["170260059","CC(O)=NCCN(c1ccc(O)c([N+](=O)[O-])c1)C(C)C(=O)O"]
["175435033","O=[N+]([O-])[O-].[Ag+].[Ce]"]
["162842822","N[C@H](c1cccc(I)n1)C1CC1"]
["MCULE-3323891687","CC(=O)c1cccc(-c2c(F)cc(N=C(O)CC3CN(C(=O)OC(C)(C)C)C3)cc2F)c1"]
["56364729","CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2cccc3ccccc23)cc1"]
["MCULE-8560500185","CCc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccccc1O)C(C(=O)N(CC)CCO)=C(N)O2"]
["9522021","OC(=NCc1cccs1)N[C@H]1CCCc2ccccc21"]
["173023992","CNC1CCCN(C)C2C=C(Cl)C=CC12"]
["114115171","NCCC(O)=N[C@@H]1c2ccccc2C[C@@H]1O"]
["201986","N=C(N)NCCC[C@H](N=C(O)c1sccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O"]
["19459217","COc1cc(C(C)=O)ccc1OCC(O)=NCc1nccc2ccccc12"]
["27988840","CS(=O)(=O)c1ccccc1-c1cc(F)c(N=C(O)N(Cc2ccccc2)Nc2cccc(CN)c2)c(F)c1"]
["151907300","COc1ccc([C@@H]2[C@H]3N=c4ccccc4=C3C[C@H]3C(=O)N(c4ccc(C(=O)NC5CCCCCCC5)cc4)C(=O)N23)cc1"]
["173947963","C[C@H]1C(c2ccc(-c3ccccc3)cc2)CCC(c2cc(-n3c4ccccc4c4cc5ccccc5cc43)cc3oc4ccccc4c23)=NC1c1cccc(-c2ccccc2)c1"]
["64944483","CCCCN(CC)C(=O)c1cc2cccnc2n(C)c1=O"]
["60218841","CCCCN1C=CN(CC(O)c2ccc(C)cc2)C1"]
["47091111","Clc1ccc(CSc2nnc3ccccn23)s1"]
["179183802","c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cc6ccccc6c6c5oc5ccc7ccccc7c56)c5ccccc45)c4ccccc34)cc2)cc1"]
["25244282","COc1ccc(CCN(C)CCCN=C(O)C=Cc2ccc(F)cc2)cc1OC"]
["MCULE-1840196391","COc1ccc(CCC(O)=Nc2ncccc2-c2c(F)cccc2OC)cc1"]
["171794670","NS(=O)(=O)c1ccc(-c2oc(CCCOCc3cc(F)cc(C4CCOC(O)C4)c3)nc2-c2ccccc2)cc1"]
["139135765","C#CCCCN=C(O)NCc1sc(-c2ccccc2)nc1C"]
["119082180","COc1ccc(NC(=N)NCCn2cc([N+](=O)[O-])cn2)cc1"]
["8763288","CCCC[C@@]1(c2ccc(F)cc2)N=C(O)N(CC(O)=NC2CCCC2)C1=O"]
["191136724","COP(C)(C)(C)C.COP(C)(C)=O"]
["54346543","COc1ccc(Cn2nnc(C(=O)O)c2C)cc1"]
["146496758","CCCNCCN=C(O)C(CC)Cc1cccc(Br)c1.Cl"]
["100973427","CC1(C)COC(c2cncc(Br)c2[Si](C)(C)C)=N1"]
["SN0108454","CCC(C)C(O)=Nc1ccccc1C(=O)OCC12CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC(C)=O)C(O)(C(OC)C13)C4N(CC)C2"]
["19824881","O=C(CN(Cc1ccco1)Cc1ccco1)N1CCc2ccccc2C1"]
["5786064","COCCN=C(O)CSc1ccccc1C(=O)Oc1ccccc1[N+](=O)[O-]"]
["177824395","BC(B)(OCc1ccccc1)C(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)C(B)(B)C3(B)B)c(F)cc2n1C[C@@H](O)COCc1ccccc1"]
["192713059","[2H]C([2H])(C[C@@H](C)[C@H]1CCC2C3C(O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C)C(=O)OC"]
["111166543","COc1ccc(C)cc1C(NN)c1cn(C)nc1C"]
["24297911","COCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1"]
["105710084","COCCN[C@@](C)(CO)Cc1ccccc1OC"]
["57345595","CCOC(=O)C1CCC(=O)c2cc3ccc4cccc5ccc(c21)c3c45"]
["70455435","CC(=S)N1CCCCC1C(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12"]
["129708917","CCc1ccccc1NC(=O)C(=O)N1CC2CCCC2C1"]
["11282666","Cn1c(=O)c2c3c(sc2n(Cc2ccc(F)cc2)c1=O)CCC3"]
["121638975","CCC(=O)c1ccc(OS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1"]
["170821407","CC(=O)SCC(O)C(O)c1cc(F)ccn1"]
["100438141","COC[C@H](C)Nc1cc(=NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)[nH]cc1C#N"]
["53640740","Cc1ccc(CN(C)C(=N)c2ccccc2)cc1"]
["MCULE-1679054344","Cc1nnc(N=C(O)c2cnc3ccc(-c4ccc5c(c4)OCCO5)cn23)o1"]
["169820352","CC1(C)CCC(C)(C)c2cc(-c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6O5)C5CC6CC7CC4C75C6)c3)ccc21"]
["61031330","C=CC1CNCCO1.O=C1C=CC(O)=N1"]
["28799025","CCCNC(=O)c1ccc(N(C)C[C@@H](c2cccc(Cl)c2)N2CC[C@H](O)C2)cc1"]
["22332449","O=C([C@H]1Cc2ccccc2CN1C(=O)c1ccco1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1"]
["181547342","CCCCCCCCC1(N=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]
["MCULE-7758769615","COc1ccc(-c2cc3ccc(OCCCc4ccccc4)cc3oc2=O)c(OC)c1"]
["186460158","O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1"]
["19619021","CCCN(C[C@@H]1CCCO1)c1ccc(-c2nc(COC)no2)cn1"]
["139840261","Cc1ccc(S(=O)(=O)NCCNC(C)c2ccccc2)cc1"]
["79634265","CC(C)CCCN(CCCC(C)C)C(=O)S.N=C(O)S"]
["1935029","Cc1ccc(C(=O)Nc2cccc(CN=C(O)[C@@H](N=C(O)OCc3ccccc3)C(C)C)c2)cc1"]
["179741647","CC[I+]C(CCI)C1CNC[C-]([O-])C1"]
["86486495","CCC1CCCCC1Oc1nc(C(C)C)nc(Cl)c1C"]
["171924672","CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=NC1(C(=O)N(C)C)CCCCC1.Cl"]
["52007959","Cc1cccc(CC[C@@H]2C[C@@H]3CC[C@@H]4C[C@H](C)N=C(N2)N43)c1"]
["46639601","CSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)n1"]
["168073912","CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O[C@H](CO/C=C\\CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN=C([O-])CCCCC"]
["157581850","CCCOc1ccc(CN=C(O)[C@@H]2C[C@H]2C(=O)O)c(C)c1"]
["118773442","CN=C(NCCN(C)C1CCCC1)N1CCN(CC(=O)N2CCCCCC2)CC1"]
["99927287","CC[C@H](C)[C@H](C)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(=N)O"]
["179522450","CC(O)=NCc1cn(C(C)C)nn1"]
["59432129","CC(=[NH+]CCCN1CCCCC1)C1C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O"]
["118783131","CCN=C(NCC(C)Oc1ccc(C)cc1)NC1CCN(c2cccc(C)n2)CC1"]
["MCULE-8541631961","COc1ccc(-c2ccc(CCCC(O)=Nc3ncco3)cc2)c(F)c1"]
["172604595","Cc1ccc(C(CN)c2ccccc2)cc1-c1c(C=O)ccc(F)c1F"]
["102041036","COc1ccc(CN2CCCn3nc([C@@H](C)O)cc3C2)cc1Cl"]
["179156961","C1=Cc2c(c(-c3cccc(-c4ccc5ccc6c7cc8c(cc7sc6c5c4)sc4ccccc48)c3)c3ccccc3c2-c2cccc3ccccc23)CC1"]
["10170713","CC[C@H](CN(C)C)N=c1nc(-c2cc[nH+]cc2)[nH]c2c1CCN(C(C)=O)C2"]
["MCULE-1301511980","Cc1cc(O)ccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1"]
["84645591","Cc1cccc(SCC(O)=NC(C)c2ccccc2)c1N"]
["82149124","CNc1ccc(-c2ccc3c(c2)C(Cl)C=NC3=O)c2c(Cl)c(C(F)(F)F)nn12"]
["29409121","N=c1[nH]c(CCCC(=O)N2CCCCC2)c(-c2ccc(Oc3cc[nH]c4nccc3-4)c(F)c2)c(=N)[nH]1"]
["170152825","Clc1ccc(N(CCc2ccccc2)c2cc(Br)nc(Br)c2)cc1"]
["113129409","N=C(O)CCCCN=C(O)C1(c2ccc(N)cc2)CC1"]
["MCULE-6538651252","COc1ccc2cc(-c3cc(OC)c(OC)cc3C(O)=Nc3cccc(C(C)=O)c3)ccc2c1"]
["15387026","OC(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)=Nc1ccc(F)cc1F"]
["69118974","CN(Cc1cnn(-c2ccccc2)n1)C1CCCCC1S(C)(=O)=O"]
["180751427","CC(C)C1=C2[C@@]([C@@H](O)CN3CCN(c4ccccn4)CC3)(CC[C@]3(C)[C@]2(C)CC[C@H]2[C@@]3(C)CC[C@@]3(C)C(C)(C)[C@@H](OC(=O)CC(C)(C)C(=O)O)CC[C@]23C)CC1=O"]
["28305147","COc1ccc(-c2nc3sccn3c2/C=C/C(=O)c2ccco2)cc1"]
["MCULE-8270014778","CCCc1nn(CC(C)C)c2c1C(c1ccc(N(C)C)cc1)C(C(O)=NC13CC4CC(CC(C4)C1)C3)=C(N)O2"]
["170996284","CC(=O)c1ccc(I)cc1OC(F)F"]
["145727708","O=C(O)Cn1cnc2c1c(O)nc(=Nc1ccc(Oc3ccccn3)cc1)n2Cc1ccc(Cl)cc1"]
["33494307","C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)[C@@H](O)[C@@H]1O"]
["62888567","COc1ccc(Br)c(C(O)=Nc2c(C)cc(C)c(N3CCCC3)c2C)c1"]
["MCULE-7476991077","CC(C(=O)Nc1ccc(F)c(C#N)c1)n1cc(-c2ccnn2C(C)C)cn1"]
["97742183","C[C@@](Cc1c[nH]c2ccccc12)(N=C(O)OC1CCCCCCCCCCC1)C(O)=NCCc1ccccc1"]
["118057913","CN=C(NCC(=O)N(C)CCc1ccccn1)NCC(c1ccco1)N1CCCCC1"]
["32979576","CCOC(=O)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1.Cl"]
["194019289","O=C(O)Cc1ccc(-c2ccccc2N=C(O)c2cncc(-c3cc([N+](=O)[O-])cc(O)c3O)c2)s1.O=C(O)c1ccc(CN=C(O)Cc2c([N+](=O)[O-])ccc(O)c2O)cc1.O=[N+]([O-])c1cc(CC(O)=Nc2cccc(C(F)(F)F)c2)cc(O)c1O"]
["146795662","Cc1nn(Cc2ccccc2Cl)c(C)c1C(O)=NCC(C)(O)C(=O)O"]
["108937995","Cc1ccc2c(C)c(C(=O)N(Cc3ccc(C(C)C)cc3)[C@@H]3CCS(O)(O)C3)oc2c1"]
["120266678","CC1(CNS(=O)(=O)c2cccc(F)c2N)CC1"]
["183175580","COC(=O)c1ccc(NN=C(O)[C@H](Cc2ccccc2)n2cc(OC)c(-c3cc(Cl)ccc3C(C)=O)cc2=O)cc1"]
["109253713","CN1[C@H]2CC[C@H]1CC(NC[C@@H]1CCCO1)(C(=N)O)C2"]
["48041151","Cn1ccnc1SC[C@H]1C[C@@H](c2ccc(CO)cc2)O[C@@H](c2ccc(CN=C(O)CCCCCCC(O)=Nc3ccccc3N)cc2)O1"]
["169540215","CC/C=C\\C=C/C=C\\C=C/C=C\\CCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC/C=C\\C/C=C\\C/C=C\\CC)OC(=O)CCCCCCC/C=C\\CCCCCCCCCCC"]
["59733233","N#CCCN(Cc1cccnc1)C(=O)COc1ccc(Cl)cc1Cl"]
["11845741","Cc1ccc(Cl)cc1N=C(O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)nc1"]
["MCULE-8283201089","CCOc1ccc(OCC(=O)N2C(c3ccc(OCC)cc3)CSc3nnc(C(F)(F)F)n32)cc1"]
["158434558","CN=C(O)N=C(O)CN1CCN(C2CC2)C(=O)C1"]
["34516819","CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(C/C=C(/C)C(=O)OCCCCN1CCNCC1)C4=O)C3=O"]
["65347772","CCCN(CCC)C(=O)c1cc(C(=N)O)cc(C(O)=NC(Cc2cc(F)cc(F)c2)C(O)CN(CC)NS(=O)(=O)c2ccccc2)c1"]
["131647773","O=C(C(O)=Nc1ccc2c(c1)Cc1ccccc1-2)N1CCCC1c1ccncc1"]
["171564305","CC.N=C(O)Nc1ncco1"]
["100858997","O=C(O)c1ccc(-n2cc(C3CCN(CN4CC[NH+]=C4O)CC3)c3cc(Cl)ccc32)cc1"]
["142128584","COC(=O)C1(C)CCN(C(=O)C2CCCC(C)C2)C1"]
["81322398","Cc1ccc(CN2CCN3C(=O)C(COCc4ccccc4)N=C(O)C3C2)c(C)c1"]
["171177670","O=C(O)C(S)CCCCCc1ccc(OCc2ccc(F)cc2)cc1"]
["178670766","Nc1cccc(S(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1"]
["62545568","CC[C@H]1c2cc3[nH]c4c(c5nc(cc6[nH]c(cc(n2)[C@@H]1C)c(COC(C)=O)c6C)[C@@H](C)[C@@H]5CCC(=O)OC)CC(=O)c4c3C"]
["115206364","CC[C@H](N)c1ccc(Oc2cc(C)ccc2C(C)C)cc1"]
["151909424","CCC[C@@](OC)(C1=NC=NC1)C(c1ccccc1)c1ccccc1"]
["78152170","OCC(O)[N+](C(O)CO)C(CO)(CO)CO"]
["87430254","CC(C)C1CCCCC1n1c(S)nc2sccc2c1=O"]
["MCULE-8924047832","COc1ccc(CCC(=O)N2CCCC(CN(C)C(=O)c3nn(C)c4c3CCC4)C2)cc1"]
["78169969","O=C(O)C/C(=C/CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O"]
["MCULE-2773504883","COc1cc(C(=O)Nc2c(C#N)cccc2-c2ccc(F)cc2C)ccc1C"]
["MCULE-8386236268","COc1ccc(C(O)=Nc2cccc(-c3cccnc3F)c2)cc1OC"]
["64625462","N=C(O)CCNS(=O)(=O)c1c(Br)cc(N)cc1Br"]
["146775968","CCC(C)C(=O)N1CSCC1C(=O)N1CCCC(C(=O)O)C1"]
["169912880","C[C@@H]1CN(c2ccc(-c3ccn4c(-c5ccnc6ccccc56)cnc4c3)cn2)C[C@H](C)O1"]
["MCULE-8410725841","CCN(CC)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCCN(C)C"]
["13055023","C[C@H](N=C(O)CSc1ccccc1Cl)c1cccc(O)c1"]
["147305959","Cc1nc(-c2ccc(CCNC3CCCC3C3COCCN3)s2)cs1"]
["12283710","CCOc1ccc(/C(CCCC/C(=N\\O)c2ccc(OCC)cc2)=N/O)cc1"]
["2778982","Cn1c(-c2c(=O)c3ccccc3n3cc(C(C)(C)C)[nH]c23)nc2ccccc21"]
["MCULE-7332862257","COc1ccc(-c2cc(F)cc(C#N)c2)c(N=C(O)CS(C)(=O)=O)c1"]
["85606249","CCNCc1ccc(Oc2cccnc2C)cc1C"]
["MCULE-2102557896","CCN(CC)c1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(CCCCN(C)C)C2=O)cc1"]
["1651629","N#Cc1cccc(N[C@@H]2c3ncccc3C(=O)N2Cc2cccs2)c1"]
["162272323","COC(=O)C1SCCC1NC(=N)O"]
["52266439","COc1ccc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2Cc2ccc3c(c2)OCO3)c(OC)c1"]
["47663237","Cc1nc(C(C)C)nc(O)c1C(O)=NCC1(O)CCCC1"]
["102892199","O=C(c1ccccc1)n1ccnc1N=Nc1ccccc1"]
["3495401","O=C(CCCn1cncn1)N1CCN(Cc2sccc2Br)CC1"]
["113439900","CC1CCN(S(=O)(=O)c2cccnc2C#N)CC1O"]
["164315352","CC(C)=CCN1CCC2(CCC(CNC3CCN(C(=O)c4cccnc4)CC3)O2)CC1"]
["172610002","C=C(F)C(=O)Nc1ccc(-c2c(-c3cnc(C(O)=NCC(F)(F)F)c(Cl)c3)c3c(=N)[nH]cc(C#CCNC)c3n2C)cc1"]
["179629261","CC(CC(=O)[O-])C(C)(O)C(=O)[O-]"]
["68030148","CN1C(=O)c2ccc(C(O)=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2C1=O"]
["MCULE-8667709745","CCc1cccc(Cn2nc(O)c3c2CCC3C)c1"]
["129966951","CCCC(CC)NC(O)=NC(C)c1ccc2c(c1)N=C(O)CO2"]
["138584266","OC(=NCCCCCN1CCCCC1)C1=COCCO1"]
["8510355","O=C(C1CCCCCC1)N1CCC2=NN=C(C3CC3)[C@H]2C1"]
["51539875","Cc1c(C)c(C)c(Cc2ccc(C(=O)Nc3cccc(S(=O)(=O)C(F)(F)F)c3)o2)c(C)c1C"]
["79955542","CCOC(=O)CC/C=C/C1=C[C@@H]2C[C@@H](OC3CCCCO3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CC1"]
["101751750","O=C(O)[C@H]1CC[C@@H]1Br"]
["101919093","OC(=NCc1cccnc1-c1cccnc1)c1c(F)cccc1F"]
["169378031","CCOC(=O)C(C(=O)OCC)N(c1cccc2ccccc12)S(=O)(=O)c1c(C)cc(C)cc1C"]
["114364939","CC(C)(C)CC(CN)C(=O)N1CCC(OCC(=O)O)CC1"]
["111687546","Cc1cc2c(NC(C)Cc3ccsc3)[nH]c(=N)nc2s1"]
["136536344","O=C(NCCN=C(O)NC1CCN(CC2CCCC2)C1)c1ccco1"]
["MCULE-2005732027","CC(C)Oc1ncc(-c2cccc(C(F)F)c2F)s1"]
["MCULE-8089256124","O=C(C1CC1)N1CCN(c2cc(Nc3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)n2)CC1"]
["171178887","CC1CCN(c2c(F)c(Oc3cccc(C(=O)N(C)C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CC1"]
["195082593","Oc1ccc(C2=c3c4c5c(c[nH]c5c(O)c3=NC2)CCN4O)cc1"]
["178582854","CCOC(=O)C(C)(CCCOc1ccc(N=O)c(C(C)=O)c1)C(=O)OCC"]
["129371464","CCOc1ncc(C(=O)N(C)Cc2cnc(C)s2)cc1Cl"]
["15333640","CCCN=C(O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)C1"]
["9370716","COCCOc1nc(-c2cccc(OC)c2)n(-c2cccc(N=C(O)c3cccc(F)c3)c2)n1"]
["200403201","Cc1cc(Br)c(Cl)c(C2NC(=NC#N)Nc3nc(N)c(C#N)c(N)c32)c1"]
["45914917","C1CCCN=N/N=N\\N=NCC1"]
["115044242","CCc1ncnc(N(C)CC(=O)N2CCNCC2)c1F"]
["148251775","O=C(O)COCCN=C(O)c1ncc(Br)cc1Br"]
["91672726","FC(F)(F)c1ccc(C(Cl)Cl)cc1C(Cl)Cl"]
["194802919","CC.CCC(C)(C#N)CC"]
["172752475","C=CCCc1cccc(C#C[C@@H]2[C@@H](CCCc3ccsc3C(=O)O)[C@H](Cl)C[C@H]2O)c1"]
["MCULE-5370706396","Cc1nc(C(=O)Nc2cc(-c3ccnn3C)ccc2C#N)co1"]
["MCULE-6035202232","Oc1cc(-c2ccc(O)c(F)c2)sn1"]
["136422925","COC(C)CSc1nc2ccccc2c(=O)n1Cc1ccccc1"]
["100159331","O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CC(N2CCC(F)CC2)C1"]
["137854055","CC(C)C(O)=NCCN(C)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1"]
["171420850","[2H]c1c([2H])c(C2=CCCC=C2)c([2H])c(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)c3ccccc23)c1[2H]"]
["12569721","C/C=C\\Cn1c(C(=O)N2CCN(C(=O)c3ccco3)[C@@H](C)C2)cc2ccsc21"]
["MCULE-4428000031","Cc1cc(=O)oc2c(C)c(OC(C)C(O)=NCc3cccs3)ccc12"]
["MCULE-5021506587","Cc1ccc(C2C(C(O)=NCc3cc(C)ccc3C)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1"]
["174452086","OC1=NCc2c(cnn2P)C1"]
["128903575","COc1ccccc1C(CNS(=O)(=O)c1ncn(C)c1Cl)OC(C)C"]
["48491450","COC1CC2C(CC(O)C(O)C2N)O1.Cl"]
["27501276","CCCCOc1cc(Br)c(C(=O)O)c(OCCCC)c1"]
["113802757","Cc1nc(SCc2cccc(C(O)=NN)n2)n[nH]1"]
["164606568","Cc1cc(Cl)cc2[nH]c(-c3ccc(N(C)C)cc3)nc12"]
["15937585","O=c1ccc(-c2ccc(Cl)cc2)nn1CCCN=C(O)Nc1ccc(F)c(F)c1"]
["108172969","CC1=C[C@H]2N=NC(C=O)=C2C=C1"]
["78816945","CCN1CCC(N=C(O)Nc2c(C)c(-c3ccc(=O)n(C)c3)nn2-c2ccccc2)c2cc(Cl)ccc21"]
["4525841","CSc1nc(C)c(CCC(=O)Nc2ccnn2C2CCCC2)c(C)n1"]
["148759147","CN=C(O)Oc1cccc(C)c1COc1ccc(C)cc1C"]
["13122869","CON(C)S(=O)(=O)c1ccc(NC(O)=N[C@@H](C)c2nc(C)cs2)cc1"]
["75301207","Fc1ccc(-c2nccnc2O[C@H]2C[C@H](N=c3[nH]c4ccccc4s3)C2)cn1"]
["32309307","NNc1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1"]
["MCULE-1641940514","COc1nc(-c2cc(F)cc(F)c2OC)cnc1N=C(O)c1sccc1Oc1ccccc1[N+](=O)[O-]"]
["115396275","Cc1cc(C)c(NC(=O)C(=O)NCC(C)C)c(Cl)c1"]
["86866158","COC(=O)c1ccccc1CN[C@H](C)c1ccccc1C"]
["97126399","c1ccc2c(c1)OC13C4CCCC15C[C@H]1CCCC[C@@]1(OC51CCCCC1C4)N23"]
["22400796","Cc1[nH+]ccn1CCCC(O)=Nc1ncccc1O"]
["195948892","COc1c(OCc2ccc(-c3ccccc3SNc3onc(C)c3C)c(COCCF)c2)cc(C)nc1C"]
["168239588","COc1ccc(O)c(C=NC[C@@H](c2cccs2)N2CCN(C)CC2)c1"]
["57416588","CC(OC(=O)c1cccnc1Oc1ccccc1)C(=O)N1CCCC1"]
["77901846","CC(=C(F)C(O)=Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Br)c1ccc(F)c(C(=N)N)c1"]
["111615429","CCC(=CCNCC(C)CO)C(=O)OC"]
["137003326","OC(CNc1cc(-n2cnnn2)ccc1F)=Nc1ccc(F)cc1Cl"]
["130227515","CCc1nn(C)cc1CNC(CCc1ccccc1)c1ccccc1"]
["80517799","C=C1N=NC(=O)C=C1C"]
["180123639","CC1C=CC=CC1c1nc(C(=O)Nc2cccc(NC(=O)c3n[nH]c(-c4ccccc4)n3)n2)n[nH]1"]
["171971609","O=C(OCc1ccccc1)N1C2C=C(c3ccccc3)CC1CC2"]
["18108922","Cc1ccc(CN2C[C@H](C(=O)N3CCCCCC3)CC2=O)cc1"]
["MCULE-6395360477","CN1CCN(Cc2ccc(-c3cnc4c(c3)CCN4C(=O)Cc3ccc4c(c3)OCO4)cc2)CC1"]
["MCULE-3043349297","CC(=O)c1ccc(-c2cnn(C(C)C(=O)N3CCCc4ccccc43)c2)cc1F"]
["53796801","Nc1ccc(-n2nc(C(F)F)cc2-c2ccc(Cl)cc2)cc1"]
["114229288","N#Cc1ccccc1Nc1ccc(OC(F)(F)F)c(Br)c1"]
["62255250","COc1cc(/C=C2\\SC(=O)N(CCOc3ccccc3)C2=O)ccc1OC(=O)c1cccc2ccccc12"]
["182095511","[N-]=[N+]=Nc1cccc(S(=O)(=O)NCCCS(=O)(=O)O)c1"]
["150858847","COc1cc(Cl)c(/C=C2/C(=O)N(c3cccnc3)C(=O)N=C2O)cc1OC"]
["161147564","N#Cc1cc(F)ccc1CN1CCOCC1C1CCCC1O"]
["92351752","CCCOc1cccc(C(NN)c2cc(Cl)ccc2Cl)c1"]
["151131009","C[C@H](N=C(O)CC(C)(C)C)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N"]
["171715883","CCCCCCCCCCCC/C(=C\\C1=C(C)C(=O)C(C)=C(C)C1=O)C(=O)O"]
["12529773","COc1ccc(S(=O)(=O)NCCC(O)=N[C@@H]2CCSC2=O)cc1"]
["180091723","Cc1cnc(C(C)(O)CO)cn1"]
["1183164","COCCn1[n-]cc2ccc(=NS(=O)(=O)c3cnn(C)c3)cc1-2"]
["8320986","Cc1nnc(SCC(O)=N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)s1"]
["94194202","O=C(O)C1CC(O)CN1CC(O)=Nc1cc(F)ccc1F"]
["50679622","CCCCCCCCCCCC(C)(CC)C(=O)OCC"]
["32592701","O=C1c2nc(-c3ccccc3)c3c(c2C(=O)N1CCN1CCCC1)c1ccccc1n3CCN1CCCC1"]
["199914263","CC(C)=C(Nc1ncc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1C)c1cc(F)c2nc(C)cn2c1"]
["127314805","CC(NC1CCCN(CC(F)(F)F)C1=O)c1ccccn1"]
["MCULE-9446661277","CCN(CCO)Cc1cc(=O)c(OCC(=N)O)cn1CCCCN1CCCC1"]
["121759873","CC1(CN=C(O)Nc2cccnc2Cl)CCCS1"]
["MCULE-3130566991","OC(Cc1ccc(F)c(F)c1)=Nc1cc(F)c(-c2ccc3c(c2)OCO3)c(F)c1"]
["106088261","CCNC[C@@H](Cc1cccc(C)c1)Cc1ccco1"]
["70178215","COC(=O)N=C(O)CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Nc1ccccc1"]
["187008524","COCCn1ncc(-c2ccc(CN)cc2)n1"]
["198228529","CC[C@H](C)[C@@H]1N=C(O)CCCN(C(=O)CCc2ccnn2C)CCn2nc(C)nc2[C@H](Cc2ccccc2)N=C1O"]
["85505731","CC1CC(N)CN(Cc2sc3ccccc3c2Cl)C1"]
["164868999","COc1ccc(CN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)C(C)C(O)=NC(C)(C)C)cc1"]
["169915763","O=C1N2CC(n3cc(S(=O)(=O)NCCO)cn3)=CC(C2)N1OS(=O)(=O)O"]
["22912321","CCc1ccc(CN=C(O)C2CCCN(c3nc(O)c4scc(-c5ccccc5)c4n3)C2)cc1"]
["28565847","CCC(C)Nc1nccc(-c2c(-c3ccnc(NC4CC4)n3)nn3c(NC4CC4)cccc23)n1"]
["15175679","C[C@@H](N=C(O)c1nnn(-c2ccc(Cl)cc2)c1N)c1ccccc1"]
["95824814","CCc1nc(COc2ccc(CC(C)NC)cc2)no1"]
["42301415","CCCCCC[Si]1OC(C)C[Si-](C)[O+]=[Si](C)O1"]
["168294311","CCC(O)(CC)C(=O)c1ccc2nc3ccccc3cc2c1O"]
["74980351","CCCN(C)[C@H]1CC[C@@H](NC(=O)c2ccc(-n3nc(-c4cccnc4)c4c3-c3sc(N=C(C)O)nc3CC4)cc2)CC1"]
["179130853","N=CN[C@H]1CCN(C2=C(C(=O)O)NCO2)C1"]
["MCULE-5540341374","Cc1ccc(C(=O)CCC(=O)N2CCC(COC(=O)c3cccnc3)CC2)cc1"]
["124053090","CSc1ccc(NC(O)=NCCCc2[nH][nH]c(=N)c2C#N)cc1Cl"]
["95719160","N=c1nc(Oc2ccc(Cl)c(F)c2)cc(C(F)(F)F)[nH]1"]
["65149289","CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1"]
["55621485","COc1ccc(N=C(S)N=C(O)C=Cc2ccccc2)cc1Cl"]
["20117806","CS(=O)(=O)Nc1ccc(OC(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1"]
["197997146","CCOC(=O)C1(Cc2cn(-c3cc(Cl)c(Cl)cc3Cl)nn2)CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1"]
["MCULE-9383678161","OCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)s1"]
["30731373","COc1ccc(CN2N=CC(=Nc3c(C)c(-c4ccc(OC)cc4)n4ccccc34)C2=[NH+]CCO)cc1"]
["188265693","CPBOCC(COC=O)OC=O"]
["137448983","CN(Cc1cc2ccccc2o1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1"]
["164995040","COc1ccc(C=NN=C(O)C(=O)NCCN2CCOCC2)c(OC)c1"]
["106091593","CCN(C)C(=O)N1CC[C@@H](C(=O)O)C1"]
["122387205","Cc1nc2ccccc2cc1C(O)=NC1CCCNC1.Cl.Cl"]
["43542377","Cc1ccc(C[C@H](N=C(O)CC(C)(C)N)C(O)=N[C@@H](Cc2cnc[nH]2)C(O)=N[C@@H](CC2CCCCC2)[C@@H](O)C(O)CC(C)C)cc1"]
["167688251","CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN=C([O-])CCCCCCCCC/C=C\\CCCCCC"]
["24787943","CN(CC(O)=Nc1ccccc1Cl)CN1C(=O)C(Cc2ccccc2)(c2ccccc2)N=C1O"]
["MCULE-3037384674","CC(C)Cn1nc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1-c1ccc2c(c1)OCO2.Cl"]
["143181252","Cc1nccn1CCCN(C)c1ccccc1S(=O)(=O)C(F)F"]
["176718909","Sc1cccc(CNCc2ncc[nH]2)c1"]
["89048856","CC1CN(Cc2ccc3c(c2)ncn3C)CCN1"]
["98822273","O=C(Nc1nn(C(=O)O)c2cc(C(=O)O)oc12)c1ccc(Cl)cc1"]
["82048541","COc1ccc(S(=O)(=O)N(CC(C)C)C(C(O)C(Cc2ccccc2)NC(=O)O)C(C)(C)C)cc1"]
["116876160","Cc1ccccc1CC(O)=NC(CO)c1ccco1"]
["24732320","CCCN=C(O)C(C(=O)c1ccc(F)cc1)n1cc(C)ccc1=O"]
["98137634","O=[N+]([O-])c1ccc(Sc2ccccc2CNc2ccc(O)cc2)cc1"]
["134212271","CCc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cnc(N(C)C)nc2)cc1"]
["57521622","COc1cnc2ccc(=O)n(CCN3C[C@@H]4C(NCc5cc6c(cn5)OCCO6)[C@@H]4C3)c2c1"]
["185875023","CCCCCC(CC)COP(=O)(O)O"]
["198882539","CCCN=C(O)C1CCN(C(=O)CCCC(=O)N2CCC(C(O)=NCCC)CC2)CC1"]
["27377758","CCN(CC)C(O)=N[C@H]1C[C@@H]2c3c(C(=O)OC)ccc4[nH]cc(c34)C[C@H]2N(C)C1"]
["76524839","O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)C(c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccccc1"]
["550614","CC(O)=N[C@H](C)C#Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)O2"]
["94266722","OCc1c(C(F)(F)F)nn(-c2c(F)cccc2Cl)c1Cl"]
["94262095","CCOC(C)(C)c1ncc(CNC2CC2)[nH]1"]
["163271358","CNCCC1=CC(Cl)C2=NC(O)=NC2=C1"]
["24021254","Cc1ccc(N=C(S)N(CCN(C)C)Cc2cc3cccc(C)c3nc2O)c(C)c1"]
["46582669","CN(C)CCNCC[C@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1"]
["19683286","CCOc1ccccc1-c1csc([N-]S(=O)(=O)c2cccc(C#N)c2)n1"]
["163952212","COc1cc(OC)cc(-c2onc(-c3ccc(Cl)cc3Cl)c2CO)c1"]
["177111873","CC(C)(C)[C@H]1OC(=S)C([Se-])(c2ccccc2)C1C[O+]=[Si](c1ccccc1)c1ccccc1"]
["155630468","COc1cc2c3c(c1)O[C@@](C)(c1cnn(Cc4ccccc4)c1)[C@@H](C2)C3=O"]
["174368866","NCc1ccc(/C=C2\\C=C(CC(O)=NCc3ccc(NC(=O)CBr)cc3)c3cc(F)ccc32)cc1"]
["145444674","Cc1ccc(-c2ccnc3c2=N/C(=C2/NNc4ncc(-c5cncc(N=C(O)CC(C)(C)C)c5)c(F)c42)N=3)s1"]
["78587445","CCC(CC)(CF)C(=O)OCC(F)(F)F"]
["56369037","CSCCC(N=C(O)C(CCC(=O)O)N=C(O)CN=C(O)C(N)CC(=O)O)C(=O)O"]
["87827985","Cc1cccnc1N(CCC(=O)O)CC(=O)c1ccccc1"]
["181839250","CC(C)[C@H](C(=O)O)C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccccc2)[nH]1"]
["75265893","Cc1nc(Cl)ccc1N=C(O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1"]
["110374749","O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C(O)=Nc2nncs2)C1"]
["77288637","CCCOCc1cc(C(C)=O)ccc1OCC(O)CN1CCN(C)CC1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O"]
["15294315","CC[C@H](OC)C(=O)O[C@@H](C)c1ccccc1C(F)(F)F"]
["176718014","CC.N=c1cc(CN2CCC(C(=O)N3CCC(C(=O)C4=NCCC=C4)CC3)CC2)cc[nH]1"]
["175106143","CN=CO.CNc1cn2[nH]c(=N)ccc2n1"]
["189836848","CC1CCC([C@@H](c2cnn(C)c2C(N)=O)c2nc3c(F)c(-c4cnccc4C(=O)N4CC(F)(F)C4)ccc3n2C)CC1"]
["156693092","Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(N=C(O)C3CCCCC3)c12"]
["MCULE-8079317126","CCN(CC)c1nc(Nc2ccc([N+](=O)[O-])cc2)c2cnn(C)c2n1"]
["105014724","CCCCOc1ccc(Br)cc1[C@H]1C(C(O)=Nc2ccccc2OC)=C(C)N=C2N=CNN21"]
["197184712","COCC1(N(C)C2CC(O)CCC2C)CC1"]
["32148751","CC(C)C[C@@]1(N=C(O)OC(C)(C)C)C[C@H](O)OC1=O"]
["MCULE-8837594447","CCCN(CCC(=O)OCC)C(=O)C(C)(CC)N=C(O)CC(c1cccc(Br)c1)c1nn[nH]n1"]
["178460013","CC/C(=C\\C(C)=C(/CC)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3)[s+]1ccccccc2ccccc21"]
["59927990","Cc1ccc(N=C(O)c2ccc(-c3nc4ccccc4s3)s2)cc1"]
["111993081","CC1CC(N=C(O)c2ccc(F)c(Br)c2)C1"]
["26508608","CCCCC1=CC(CC)CCC1"]
["MCULE-3577708906","CCOC(=O)c1c(C2CCCCC2)nn(C2CCCOC2)c1I"]
["23556498","Cc1cc2c(cc1N=Nc1ccc([N+](=O)[O-])cc1)C(C)CC(C)(C)N2"]
["MCULE-4863160241","Cc1ncc(NC(=O)c2nccc3ccccc23)cc1-c1ccc(C(C)(C)C)cc1"]
["62237903","CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)C3CCCCC3)ccc21"]
["156927737","O=C1N=C(O)C[C@H]1Cc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1"]
["88173328","COc1cnc2[nH]cc(C(CC(=O)O)C(C)C)c2n1"]
["81621450","CCCC=CCC1C(Cl)CC([O-])C1COc1ccc(Cl)c2ccccc12.[Y]"]
["144651618","COc1cc(-c2ccc(C3CCc4ccc([C@H](O)[C@H](C)C(=O)O)cc4O3)c(CN3CCCCC3(C)C)c2)ccn1"]
["79843179","CCCCCCCCCCCCCCCCOC(O)=NCCCCCCC(C(=O)O)C(C)C(F)CCCCC"]
["21361915","C[C@@H](N=C(O)c1cccc(NS(C)(=O)=O)c1)C1CC1"]
["83296245","CCCCCCCN1C(=O)N(CCCCCCC)C(Cc2ccccc2)C(O)C(O)C1Cc1ccccc1"]
["160259879","CCN1CN(C(=O)C(C(C)C)N2CC(C)OC(C)C2)CC1=O"]
["154329331","O=C(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2ccc(Nc3ccccc3)cc2c1O"]
["MCULE-2897734227","COc1c(C)cc(-c2ccnc(C(=O)N3CCN(Cc4ccc(C)cc4)CC3)c2)cc1C"]
["165385361","CC(C)N=C(O)C(C)N(Cc1cccc(Cl)c1)C(=O)CCCSc1ccc(Cl)cc1"]
["10677870","COc1cccc(C(=O)O[C@H](C(O)=Nc2cc(C)ccc2C)c2ccccc2)c1OC"]
["119754694","CN1CCN(C(=O)CN(C2CCCC2)S(C)(=O)=O)CC1"]
["CSSS20521992049","OCC(CN(Cc1ccccc1)Cc1cn([C@@H]2CCCCC[C@H]2O)nn1)C1CCC1"]
["96427423","CCNc1ccc(C(=O)N2CC(C)OCC2CC)c(C)c1"]
["81517512","COc1cccc(C=Cc2nc3cc(C=Cc4ccccc4)ccc3o2)c1"]
["169775912","CC(C)CN1CCN(c2ccc(-c3ccc(Cl)cc3N3CCC[C@@H](n4ncc(C(=O)O)c4C(F)F)C3)cc2)CC1.Cl.O"]
["34518117","CCOC(=O)C1=CC(OO)(C(C)(C)C)C(=O)C(C(C)(C)C)=C1"]
["10517436","OC(CN=C(O)c1ccoc1)=N[C@@H]1CCCCc2ccccc21"]
["175281424","CC(C)(O)C(C)(C)Oc1cccc2c1c(-c1ccc(O)cc1)c(-c1ccc(O)cc1)c1ccccc12"]
["4389274","CCN(CC)C(=O)c1ccc(C(O)=Nc2ccc(C(=O)N(C)OC)cc2)cc1"]
["187977023","CC(C)CC(C(=O)I)N(C)C(=O)C1CCCN1C(=O)[C@H](C)N=C(O)OC(C)(C)C"]
["106470203","CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=N)O"]
["132027249","Cc1nc(Cl)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1"]
["MCULE-5285086715","CC(=O)c1ccc(N=C(O)c2cc(-c3ccsc3)ccn2)cc1"]
["164184291","Cc1ccc2nc(COc3cccc(C(O)=NCc4nnc5n4CCCCC5)c3)cn2c1"]
["2790898","OC(=NCC1(Sc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H]1O2"]
["111526323","CCOC1CC(CC(O)=NCC2(O)CCOCC2)C1"]
["MCULE-5679307303","COC(=O)c1ccc2nc(-c3cccc(N(C)C)c3)sc2c1"]
["174053050","CC(=O)O.CC1CCC(C(C)(C)C)CC1"]
["92259924","OC(=NCCCn1ccnn1)c1ccc(Br)c(F)c1"]
["16786197","Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(O)=Nc2ccc(F)c(F)c2)c1"]
["MCULE-7036949413","CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1"]
["194122463","CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(S(C)(=O)=O)cn3)c2F)C2CC2)cn1"]
["MCULE-8394071918","CCC(CC)Cn1ncc(N)c1C1CC1"]
["MCULE-6954960272","CC(=O)c1ccc(-c2cc(F)c(F)cc2CC(=O)Nc2ccnn2C)cc1"]
["MCULE-9990507564","CCNC(=O)c1cc(CC(C)C)nn1Cc1ccc(C)cc1C"]
["2511871","CCOc1cc(C(O)=[NH+]CC2CCN(C(C)C)CC2)cc(OCC)c1OCC"]
["111667027","CNc1cccnc1S(=O)(=O)NC(C)Cc1ccsc1"]
["137240574","Cc1occc1C(O)=NC1CCN(C(=O)CCc2ccc(C#N)cc2)CC1"]
["87278899","C#CCC(NS(=O)(=O)c1cc(Br)sc1C)C(=O)O"]
["172020617","CC1=C=C[C-]=C(OCc2c(C3CC3)cccc2-n2nnn(C)c2=O)C1.[Y]"]
["93175268","CCC(O)CCNCC(O)c1ccc([N+](=O)[O-])cc1"]
["178642917","CC1C(C)[C@H](C)C(C)(C)C(C)(C)C1C"]
["46510851","CCOC(=O)c1c(C)noc1N=NN(CCO)CCO"]
["171583506","c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cc(-c5ccc6ccccc6c5)cc(-c5cccc6c5oc5ccccc56)c4)n3)c2)cc1"]
["128964041","CCOC(=O)CC(C)N=C(O)C(C)CSCc1ccccc1"]
["MCULE-6821120021","COc1ccc(OC)c(CC(O)=Nc2ncc(-c3ccccc3SC)nc2C#N)c1"]
["101428985","OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O"]
["MCULE-1127127773","O=C1C(NC2CCCC2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCCN=CO"]
["MCULE-7640933699","CCCS(=O)(=O)N(CC(=O)Nc1ccc(CC)cc1)C(CCSC)C(=O)Nc1ccc(Cl)c(C)c1"]
["49127009","CCN(CCCC(CC(=O)O)N=C(O)OCc1ccccc1)C(=O)OCc1ccccc1"]
["93567299","CN(C(=O)CSCC(=O)O)c1cccc(C#N)c1"]
["187735236","CCn1[nH]c(=Nc2cnn(C)c2OC)c2ccc(C(C)(C)O)cc21"]
["141339621","CC(N=C(O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1)C1CCCO1"]
["160564063","OC(COc1ccccc1F)CN1CCOCC1C1CCCO1"]
["MCULE-9614640345","CCOc1cc(C2C(C(=O)N3CCc4ccccc4C3)=C(N)Oc3c2c(CC)nn3CC)ccc1O"]
["145661833","Cc1cc(C(=O)N(c2ccc(O)cc2)c2ccc3c(c2)CCN3C)cn1-c1cc2c(cc1C(=O)N1Cc3ccccc3C[C@H]1C)OCO2.Cl"]
["MCULE-1382252974","CC(=O)c1ccc(F)c(-c2ccc(N=C(O)c3ccncn3)c(C(C)=O)c2)c1"]
["169678042","CC1CN(Cc2nc3[nH]c(C(=O)O)nc3n2C[C@@H]2CCO2)CC[C@]1(C)c1cccc(OCc2ccc(C#N)cc2F)n1"]
["141130257","O=C(NCC(O)=NNC(O)=NCCC1=CCCC1)c1ccco1"]
["61958171","Cc1ccc(Nc2cccc(N)c2C)cc1Br"]
["88463907","Cc1ccccc1C(CNC(C)C)OCCC(F)(F)F"]
["56283356","Fc1cnc(-c2ccccc2C(F)F)[nH]c1=NCc1ccc(-c2cc[nH]n2)cc1"]
["153677309","Cc1c(C(O)=N/N=C\\c2ccc(O)cc2)nc2ccccn12"]
["68093641","CC1C2CNCC2CN1C(O)=Nc1cccc(Cl)c1"]
["190032192","CN(c1cnc2c(c1)[nH]c(=Nc1ccccc1)n2C)c1ccnc(Nc2cnn(CC=O)c2)n1"]
["23269401","NCc1ccc(-c2cnco2)cc1"]
["81786308","OC(=Nc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Cl)c1)N=C(O)c1c(F)cccc1F.OC(=Nc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Cl)c1)N=C(O)c1c(F)cccc1F"]
["MCULE-6371446016","CCCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O"]
["MCULE-4845381308","O=C1CC(C(=O)N2CCC[C@@H]2CO)CN1c1n[nH]c2ccccc12"]
["59348414","[C-]#[N+]c1cnn(Cc2ccccc2)c1"]
["193527771","CC(=O)N1[C@H](C)CN(c2cccc(-c3c[nH]c4ncc(N=C(O)C(C)C)cc34)n2)C[C@@H]1C.[HH]"]
["163888434","N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21"]
["75727530","O=S1(=O)N[C@@]2(CN1CC(F)(F)F)[C@@H]1CC[C@H]2Cc2ccc(-c3cn(-c4ccc(C(F)(F)F)cc4)cn3)cc2C1"]
["MCULE-8567757738","CSc1ncccc1C(=O)Nc1cc(-c2ccccc2F)cnc1C"]
["187251144","CS(=O)(=O)N1CCOCC1c1nccc(=NCC2CC2)[nH]1.O=C(O)C(F)(F)F"]
["134918361","Cc1nn(C)c(C)c1CCNC(=O)c1cc2c(C(C)C)nn(C)c2s1"]
["151666717","Cn1nc(-c2ccccn2)cc1NC(O)=N[C@@H](Cn1ccnc1)C(C)(C)C"]
["66946926","COCOC(=O)C1=C(OC)[C@@H]2C#C/C=C\\C#C[C@@H]3N=C4C=CC(=O)C=C4[C@]24O[C@@]34[C@H]1C"]
["3490664","NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1"]
["63030786","c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7o6)cc5)c5ccccc45)cn3)ccc2c1"]
["17858600","COc1ccc(S(=O)(=O)N2CCCCC2)cc1I"]
["34678225","CC[C@H](C)[C@H](N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O"]
["28360613","C[C@@H](N=C(O)C1=CCC(F)(F)CC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F"]
["MCULE-3323589784","COc1ncc(N=C(O)Cc2ccccc2-c2ccnc(F)c2)cc1C"]
["45492891","CCN(CC)S(=O)(=O)c1cc(C(O)=NCc2ccccc2Cn2ccnc2)ccc1OC"]
["141968199","CN(Cc1cccc(N(C)C)c1)C(O)=NCc1ccc2c(c1)OCO2"]
["87922578","CC1=CN2CC(N)=CN=C2N1C"]
["MCULE-4562287706","Cc1ccccc1OCCCCOc1cn(CCN(C)C)c(CN2CCCCC2)cc1=O"]
["MCULE-4720032688","O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc(O)c2CN1CCC(O)CC1"]
["157341805","N=C(O)N[C@H](CC(O)=NC[C@@H]1CCCNC1)c1cccc(Oc2ccccc2)c1"]
["54380892","CC(C)(C)[Si](C)(C)On1c(=O)ccc2c(N)ccc(O)c21"]
["188950698","CC1(C(F)F)C(C(=O)O)C=NN1C1CCCN(c2cc(Cl)ccc2-c2ccc(N3CCN(C[C@@H]4C[C@@H]4F)CC3)cc2)C1"]
["MCULE-5476552438","Cc1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3ccccn3)C2=O)cc1"]
["2404351","COc1cc(/C=C/C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)ccc1OC(F)F"]
["32623026","CC(Cc1ccc(N(C)Cc2ccccc2)cc1F)N=C(O)CCl"]
["174450264","C=C/C(=C\\C=C(C)C)OCC(C)OCC(C)O.C=CCC.CC1=C(C)C(C)(c2ccc(OCC(C)OCC(C)O)cc2)c2ccccc21"]
["191479717","Br.CC[C@@H](NC[C@H](O)c1ccc([O-])c(N=CO)c1)c1ccc(OCCC[N+]23CCC(CC2)[C@@H](OC[C@@](O)(c2ccccc2)C2CCCC2)C3)cc1"]
["163992825","Cc1cc(CC(O)=Nc2cc3nc(O)[nH]c3cc2N2CCCC2)on1"]
["4284389","O=S(=O)(Cc1ccccc1)NCCCc1nnc2n1CCCCC2"]
["MCULE-7069873511","Cc1cc(NC(=O)c2nn(C)c3ccccc23)cc(-c2ccc(F)nc2)c1"]
["75505663","N[C@@H]1CCCC[C@@H]1Nc1ncc2c(O)ncc(-c3c[nH]c4cc(C(F)(F)F)ccc34)c2n1"]
["174631981","CC(=O)c1cnn([C@H](C)CC(=N)c2ccc(N3C[C@H](CN=C(C)O)OC3=O)cc2F)c1"]
["MCULE-4665546322","CON(C)C(=O)c1ccc(-c2cnc(C)c(N=C(O)c3cccc(C)c3F)c2)cc1"]
["13065335","CCc1ccc2oc(=O)ccc2c1"]
["148744734","C=C(C)/C=C\\C(=C/C)C1C(c2ccc(OCC)cc2)C1(Cl)Cl"]
["65258074","CCC(OC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1)C(O)=Nc1sc2c(c1C#N)CCCC2"]
["19682578","C[C@]12C[C@@H](C=O)C(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)OC(=O)CC[C@@H]12"]
["61498179","Nc1ccccc1CC(O)=NC1C(=O)N2C(C(=O)O)=C(CSc3nnc(CC(=O)O)o3)CS[C@H]12"]
["97929899","CN(C(=O)c1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CC[C@H](N=C(O)c2ccccc2)C1"]
["32252887","COc1cc(/C=N/n2c(S)nnc2COc2c(Cl)cc(Cl)cc2Cl)ccc1O"]
["94176292","NCc1ccc(Nc2ncc(Cl)cc2Cl)cc1"]
["MCULE-2205653264","COCc1ccc(-c2ccc(CNC(=O)c3ncccn3)cc2)cc1"]
["138063754","Cc1nc(CN=C(O)c2cncc(O)c2)sc1C"]
["MCULE-4146996978","CCCc1nn(CC(C)C)c2c1C(c1ccc(CC)cc1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2.Cl"]
["MCULE-7122784375","COc1cc(C(=O)N(C)c2ccc(-c3c(F)ccc(F)c3F)cn2)cc(OC)c1OC"]
["67006298","COCC(O)CN(Cc1nc(O)c2c(-c3ccc(OC)cc3)csc2n1)C1CC1"]
["111041365","O=C(c1cccc(O)c1)N1C[C@@H]2CCCN[C@@H]2C1"]
["MCULE-7001603503","CCc1ccc(OCC(=O)N(c2ccc(Cl)cn2)C(CC)CC)cc1"]
["82286313","CCOc1ncc(Cn2cnc(C)n2)cc1-c1cccc(Cl)c1"]
["143052684","OC(=NCCCN1CCN(c2ccccc2)CC1)c1cnc(S)[nH]1"]
["160037738","CC1CCC(C)N1C(C)C(O)=NCCN1CCN=C(O)C1"]
["117250067","NCC1c2ccc(Cl)c(Cl)c2CN1Cc1nccs1"]
["44713293","CN(C)c1nc(=NC2CCC(CNCc3ccc(Cl)s3)CC2)[nH]c2ccccc12"]
["91777522","N#Cc1cc(C(F)(F)F)ccc1NC1CS(=O)(=O)CC1O"]
["128931064","CC(C)n1nnnc1-c1ccccc1N=C(O)NNc1ccc(C#N)cc1"]
["185347355","CN1C[CH-]C1.[U]"]
["MCULE-3285733316","OC(=Nc1cc(-c2cccc(C(F)(F)F)c2)cn2ccnc12)c1cnccc1C(F)(F)F"]
["185020638","CCCCN(CCCC)C(=S)SSC(CCC)OC(CCC)SSC(=S)N(CCCC)CCCC"]
["MCULE-9389921125","CCCC(N=C(O)c1c(Br)c(OC)c(OC)c(OC)c1Br)C(O)=NCCc1cc2cc(C(C)C)ccc2nc1O"]
["MCULE-5490505784","COc1ccc(CCC(=O)Nc2cc(F)ccc2-c2cc(C(C)=O)ccc2F)cc1OC"]
["79257524","OCCCCCCCC[Si](Cl)(Cl)Cl"]
["MCULE-4914874791","CCc1nc2ccc(C(=O)Nc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)cc2[nH]1"]
["14110597","CCOc1ccc(OCc2nc3cc(C)cnc3n2CC(=O)[O-])cc1"]
["69700741","Cc1cncc(-c2ccc(S(N)(=O)=O)cc2F)c1"]
["136345940","CN(C)C1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1"]
["MCULE-8156559241","COc1cncc(-c2cccc(CC(=O)N3CCC(CC4Cc5cc(OC)c(OC)cc5C4=O)CC3)c2F)c1"]
["114940425","Cc1ncc(C(NN)C2CCOC3(CCC3)C2)s1"]
["MCULE-2780863247","CC(C)Oc1ccccc1N=C(O)Nc1ccc(C(=O)NC2CCCCC2)cc1"]
["5354662","Cc1cc(C(=O)COC(=O)c2sccc2-c2ccccc2)c(C)n1[C@H]1CCS(=O)(=O)C1"]
["184270065","CC/C=C(\\C=C/Cc1ccccc1-n1c2ccccc2c2ccccc21)c1ccc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)sc2ccccc23)cc1"]
["MCULE-8577135471","COc1ncc(C(=O)N=c2nc[nH]cc2C#N)cc1-c1cccc(OC(C)C)c1"]
["128676126","N#CCCCOc1cccc(CN2C[C@@H](O)C[C@H]2CO)c1"]
["117751625","CN=C(NCCc1c[nH]c2ccccc12)NCC1(c2ccc(F)cc2)CC1.I"]
["165249315","CCOC(=O)/C=C/c1cnc2c(cnn2C2CCCCO2)c1"]
["154341861","Cc1cc(/C=N/N=C(O)[C@H](O)c2ccccc2)c(C)n1-c1cccc2ccccc12"]
["50161937","COC(=O)CC1=C(c2cccc(OCc3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1"]
["177292993","COc1ccc(CN2C[C@H]3CCCN3C(=O)[C@@H]2C)cc1Cl"]
["58402317","C=CCN(C(=O)C1N(CCCCCO)C(=O)[C@@H]2[C@H](C(=O)N(CC=C)c3ccccc3)[C@]3(CC)CCC12O3)c1ccc(Cl)cc1"]
["187335584","CN=C(O)c1c2n(c3ncccc13)CC(C)N(S(=O)(=O)C1CC1)C2"]
["MCULE-7814462028","CSc1ncc(-c2c(C)ccnc2N=C(O)c2ncc(F)cc2F)cn1"]
["171277128","O=C(NCc1ccc(-c2ccc(CN(Cc3cccnc3)C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1)c1ccc(C(F)(F)F)cc1"]
["5692636","COc1cc(OC)c(OC)cc1CN1CCC[C@H](c2cc[nH+]c(SCCN3CCCC3)n2)C1"]
["97880043","Cc1ccc(S(=O)(=O)N(NC(Cc2ccccc2)Cc2ccccc2)C(=O)OC(C)(C)C)cc1"]
["174143488","CC(C)C[C@@H]1CCO[C@@H]2[C@H](CN[C@@H]2C(O)=N[C@@H]2CC=C[C@@H](CN3CCCC3)CS[C@H]3O[C@H]2[C@H](O)[C@H](O)[C@H]3O)C1.O=CO"]
["16543525","C[C@@H]1CCCCN1CC[NH+]=C(O)Cc1c[nH]c2cc(Cl)ccc12"]
["174604860","F.O=[N+]([O-])c1c(S(=O)(=O)O)cc(Cl)c(Cl)c1Cl"]
["197691913","COC(=O)C(C)CN(Cc1cc(Br)ccc1N=O)C1CC1"]
["165745405","O=C1N=C(O)CCN1CCC(O)=NCc1cc(-c2ccc(Cl)cc2)on1"]
["122215352","CC(=O)N1CSCC1C(=O)N1CCCC(c2nnc3n2CCCCC3)C1"]
["156221113","CCCCCCCCCCCC(=O)O[C@H]1[C@@H](F)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CNS(=O)(=O)N=C(O)c1ccccc1O"]
["171440157","Cc1cncc([C@@H]2CCCN2C)c1C.O=C(O)c1ccccc1"]
["MCULE-4887321798","Cc1cc(NC(=O)CSc2ccncc2)ccc1-c1ccc(F)nc1F"]
["159420438","CCOC(=O)c1c[nH]c2c(Nc3cccc(-c4ccccc4)c3C)nccc2c1=O"]
["MCULE-7972026338","CCCN=C(O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)C1c1ccc(OCC)cc1"]
["103859441","COc1cccc2ccc(CN3CCc4nnc([C@@H](C)N=C(O)C5CCOCC5)n4CC3)nc12"]
["88442463","CC(C)C1CN(C2CCCC2)C(C)(C2CC2)CN1"]
["66389218","Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)c1c([N+](=O)[O-])cnn1C"]
["MCULE-3617965264","Cc1nc(C(F)(F)F)ncc1C(O)=Nc1ccc(-c2ccc(N3CCOCC3)nc2)c(C)n1"]
["34140866","Cc1ccc(N2CCN(CCCCc3cc(C(C)C)nn3-c3ccccc3)CC2)cc1C"]
["MCULE-2441287725","CC(C)Cc1nc(C(=O)NC(C(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc2)c2ccccn12"]
["46347836","C[c-]1c2ccccc2c2ccccc21.[Na+]"]
["89853193","COCCCN=C(O)C1CC1c1ccc(OCOC)cc1"]
["46948525","CCCN(Cc1cccn1Cc1ccccc1Cl)C(=O)C12CC3CC(CC(C3)C1)C2"]
["59096980","[Mg+2].c1cnc2c(c1)ccc1cccnc12"]
["178187244","CC1=CC=C(N(c2ccc(-c3ccccc3)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(C5C=CC=CC5)cc4)c4ccc(C)nc4)c4ccccc24)C3(c2ccccc2)c2ccccc2)CN1"]
["195032850","CN[C@@H]1Cc2c(cccc2CO)C#CC2(CCCC2)C[C@]23C[C@H]4C#CC[C@H]5[C@H]6C[C@@H]7[C@@H]8CC[C@@]6(CC[C@H]5c5ccccc5)[C@]75C[C@]6(C=O)[C@@H]4[C@@](O)([C@@H](O)[C@@H]4C[C@H]7CC[C@H]([C@H]5O[C@@H]8Cc5cccc(c5)C[C@@H]5CC[C@@H](C5)[C@H]7C)[C@@]46O)[C@@]2(O)C[C@H]2C[C@@H]1[C@@H]1OC(=O)C=C1[C@@H]23"]
["61782619","CC[C@@]1(O)CCN(Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1O"]
["159209326","CC1(C)C[C@@H]1[C@@H](O)C(=O)O"]
["112394638","FC(F)(F)c1nnc(C2CNCCO2)s1"]
["MCULE-9307141527","Cc1nn(CC(O)=NC2CCCC2)c(C)c1-c1cccc(F)c1C"]
["MCULE-3967848823","OC(=Nc1cncc(-c2ccccc2C(F)(F)F)c1)c1cccc(F)c1"]
["170156342","Cc1cc(CNC(=O)O)cc2c1CN(C1CCC(O)=NC1=O)C2=O"]
["119798602","O=C(O)C1CCN(c2cc(Nc3c(F)cccc3F)ncn2)CC1"]
["67831214","CCCN=C(O)C(C)N1CC(N)(C(C)C)C1"]
["10282023","CCOCCO[C@@H](C)C(O)=NN=C(O)COc1cc(C)ccc1C"]
["183760784","CC(C)C[N+]1(CO)CCCC1"]
["77651284","CN1C(=O)N(CC(=O)[O-])C(=O)C2C1NC1N(c3ccc(Br)cc3)CCCN21"]
["MCULE-6142807032","OC(Cn1ccc2ccc(OCc3ccccc3)cc21)=Nc1nc(-c2cccnc2)cs1"]
["32673138","CO/N=C(/C(=O)Cl)C(C)C"]
["30988811","COCCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)N=c3cc[nH]cc3)c2)cc1"]
["181322497","[N-]=[N+]=NN1CCN(C(=O)Cc2c(Br)cc(Br)cc2Br)CC1"]
["15890189","Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2Cl)cc1"]
["99903902","CC(C)(C)NS(=O)(=O)CCN1CCC(CN=C(O)c2cc(F)cc(CF)c2)CC1"]
["170351836","Cc1ccc(-c2cc([C@]3(O)CCN(C)C3=O)no2)cc1-c1nc2c(N)cncc2s1"]
["149595222","O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2Cc1ccc(-c2ccccc2C(=O)O)cc1"]
["MCULE-9210611020","Cc1c(C2CCC2)nn(-c2ccc(C3CC3)nc2)c1Cl"]
["127903387","CCOC(=O)CCC(O)=NCc1ccc(C)c(F)c1"]
["137072507","CC(C)Oc1cc(CN=C(O)NCc2cc(C#N)ccc2F)ccn1"]
["48441512","COC(=O)CN=C(O)[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1"]
["11280193","Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1)O[C@H](C)C(=O)N2"]
["MCULE-9302715135","CCCOc1ccc(C2=C(NCCCOCC)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1"]
["MCULE-1440319284","C=CCN=C(O)C1CC(O)CN1C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1"]
["100541033","CCc1cc(C(=O)N2CC(=O)N(CC(F)(F)F)C(=O)C2)ccc1C1=NOC(C)(c2cc(Cl)cc(Cl)c2)C1"]
["126719031","CN(CC1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(F)cc1"]
["95061656","CN(c1ccccc1)c1cccc(Br)c1C(=N)N"]
["126248140","COCCOc1ccc(C#N)cc1N=C(O)N(C)C(C)CC#N"]
["MCULE-6169062300","COc1ccc(C(=O)N(C)c2nc(C)nc(OC)n2)c(-c2cnccc2OC)c1"]
["174733637","COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CCCOC1=O"]
["101894625","CS(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1"]
["193826746","CCC(C)C(=O)OCCOC(=O)C12CC3CC(CC(C3)C1)C2.CCC(C)C(=O)OCCOC(=O)C1CC2CCC1C2.CCC(C)C(=O)OCCOC(=O)C1CCCCC1"]
["120484392","c1cc2c(CC3CCNCC3)c3occc3cc2o1"]
["164808736","CN=C(O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O"]
["170977395","CN1CCC[C@H]1CN=C/C(=C\\N)c1ccccc1.O=Cc1c(-c2ccccc2)nc2cc(C(F)(F)F)ccn12"]
["113048687","COCC(CCO)N=C(O)[C@@H]1C[C@@H]1C(=O)O"]
["69983125","COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCC[NH+]1CCCCC1)C2"]
["169760976","CC(C)(C)OC(=O)N1CC2C(CN=[N+]=[N-])[C@H]2C1"]
["77236411","CN(C)C(=O)COc1ccc(C(=O)C=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1"]
["118541953","CCN=C(NCc1ccc(O)c(F)c1)NCC(c1ccco1)N1CCCC1"]
["112317999","OC1=NCCc2[nH]c3c(F)cc(Cl)cc3c21"]
["81802796","CC(C(=O)O)=C(C)C(O)=Nc1cc(S(C)(=O)=O)ccc1Cl"]
["166944579","CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)O[C@H](COC(=O)CC/C=C/CCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O"]
["164855244","CC1CCC2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C2C1"]
["107171719","Cc1cccc(OC[C@@H](CN)c2c[nH]c3ccccc23)c1"]
["32669157","CN(C)Cc1cccc(Cn2cc(-c3ccc(N4CCc5cccc(C(O)=Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)cn2)c1"]
["91031637","CC=C(Br)C[N+](C)(CCC)CCC"]
["170485702","COC(=O)c1cccc(C=CCCN=[N+]=[N-])n1"]
["48651019","CCOC(=O)CN(C)C(=O)c1cccc(C#CCO)c1C"]
["110319595","CC(C)n1ncc2cc(C(O)=N[C@H](c3ccc(F)cc3)C3CCCC3)cnc21"]
["106563619","COc1ccc(CN=C(O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC"]
["77961753","CC(C)CC(CP(=O)(O)C(Cc1ccccc1)N=C(O)C(CC(C)C)N=C(O)OCc1ccccc1)C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)O"]
["54643531","CCOC(=O)[C@H](C)N(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)CC(C)C"]
["160437724","CC(=O)N1CCN(Cc2ccccc2N=C(O)c2cnnn2C)CC1"]
["MCULE-3615304745","Cc1cc(-c2ccccn2)c(F)cc1NC(=O)c1cccc(F)c1"]
["26229059","C=CCCCCCCCCCCCCBr"]
["174510860","CC(=O)Oc1c(O)c2c(C(C)C)csc2n(C)c1=O"]
["186080197","c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5c(-c6ccccc6)n6nc(-c7ccccc7)c(-c7ccccc7)c6c6ccccc56)c4)n3)c2)cc1"]
["MCULE-4315609099","CCCOc1ccc(C=Nn2c(CCc3ccccc3OC)nnc2SCCO)cc1OCC"]
["121754451","CCn1c(-c2ccco2)nn(CN(CCOC)CC(C)C)c1=S"]
["187049124","[C-]#[N+]C[C@H]1CN(c2nc(OC[C@H]3CN(C)CCO3)nc3c(F)c(-c4cccc5ccc(F)c(Cl)c45)ncc23)CCN1C(=O)C(=C)F"]
["154412968","CCN1C(=O)/C(=C\\c2ccc(C(C)C)cc2)S/C1=N\\c1cc(C)ccc1C"]
["111721819","CCCS(=O)(=O)c1c(N)nsc1NCCC(O)=NC"]
["53923973","COc1ccc(OCCC(O)=NC(C)c2ccc(Cl)cc2Cl)cc1"]
["132987527","CCC(c1ccncc1)N(CC)C(=O)CCC1Cc2ccccc2N=C1O"]
["91374524","CC(C)CC(N=C(O)C(CC(=N)O)N=C(O)C(N)Cc1ccc(O)cc1)C(O)=NC(C(O)=NC(CO)C(O)=NC(C(=O)O)C(C)C)C(C)C"]
["77047118","CC(O)C1C(=O)N2C(C(=O)O)=C(C3=CCOCC3)CC12"]
["112996280","O=C1CC2(CCCC2)CC(=O)N1CC1(O)CCOC1"]
["MCULE-9996172773","N#Cc1ccc(F)c(-c2ccc3oc(N=C(O)C4COc5ccccc5C4)nc3c2)c1"]
["124487164","CS(=O)(=O)NCc1ccc(C(=O)NC2CCN(c3ccc(Cl)cc3)C2)o1"]
["146145378","Cc1ccc(-c2nc(C(O)=NC(CN)CC(C)C)cs2)o1.Cl"]
["64321551","OC[C@H]1NCC2CCCCC21"]
["86031728","CCCN1C(=O)CC2CS(=O)(=O)CCN2C1=O"]
["81581942","CCOc1ccc2[nH]c3c(c2c1)CC1(C)C(=O)N(CCCN2CCCC2)C(=O)N1C3c1ccccc1"]
["172896859","CC(C)Cc1nnc(N2CCC3(CC2)CC(CN2CCC(O)CC2)OC3=O)s1.O=CO"]
["64519277","CCc1ccc(Nc2ncnc(Nc3ccccc3Br)c2[N+](=O)[O-])cc1"]
["47541911","O=C(O)c1ccc(SCc2cc(F)cc3cccnc23)o1"]
["200354801","Nc1c2c(cc(=O)n1-c1cccc(F)c1N1CCCC1)C(O)=NC2=O"]
["CSSS07673111353","C[C@H](CN=C(O)c1ccc(Cl)c(C#N)c1)NC(=O)c1cc2ccc(F)cc2[nH]1"]
["62967261","Cc1ccc(-n2c(Cc3ccccc3)nnc2SC(C(=O)N(C)C)c2ccccc2)c(C)c1"]
["19675438","Cc1cc(C)n(CCN2CCN([C@@H](C)c3[nH+]c(-c4ccccc4)no3)CC2)n1"]
["MCULE-7263079737","Cc1ccc2[nH]c(C(=O)N3CC(Oc4ccc(C(C)(C)C)cc4)C3)c(C)c2c1"]
["55210303","CCCCCCCN(C(=O)C(CS)N=C(O)OC(C)(C)C)C(C(O)=NCc1ccccc1)c1ccccc1C"]
["27606759","COc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc2ccccc2c1"]
["56518451","Cc1sc(N=C(O)CN(C)S(=O)(=O)c2ccc(Cl)s2)nc1-c1ccc(F)cc1"]
["MCULE-1576469896","Cc1cccc(C)c1C(O)=Nc1cnc(-c2ccc(F)cc2C#N)cn1"]
["119243923","COc1ccccc1C(O)CCNC(C)(C)C"]
["173856089","CC(C)c1noc(C2CC2)c1C1CCOCC1"]
["111001584","CC[C@H](O)Cn1cc(C(C)(C)C)cn1"]
["MCULE-4113993239","CCc1ccc(NC2=C(c3cc(F)c(F)cc3F)C(=O)N(Cc3ccncc3)C2=O)cc1"]
["53950142","Cc1ccc(-c2nnc(S)n2CC(=O)N2CCN(CC3CCCO3)CC2)cc1"]
["86522328","Cc1ccc(CC2CC(C)CCC2CN)cc1C"]
["199974619","Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC21CC1)C[C@H](C)C3.OC=NC1CCC1"]
["187620310","CN1C(=O)[C@@H](NC2OC2n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC3(O)CCC3)cc21"]
["181311996","[N-]=[N+]=N[C@H](CCNCC(F)F)CSc1ccccc1"]
["95702304","CCOC(=O)c1nc(C(=O)N2CCC(CC)CC2)cs1"]
["MCULE-5123820594","CCCc1ccc(-c2cc(F)c(C(O)=NCCS(C)(=O)=O)c(F)c2)cc1"]
["MCULE-5428557422","N#CCCN(CC(=O)O)C(=O)C=CC1CC1"]
["MCULE-1417108992","Cc1nc(C(O)=Nc2cc(F)ccc2-c2cnc(F)c(C)c2)co1"]
["112788860","CSCCCCCCn1cncc1C1CNC1"]
["180270724","CN1C=CC(=O)CN1"]
["19932197","COc1ccc(C(=O)N2CCN([C@H]3CC(=O)N(CCC(C)C)C3=O)CC2)cc1"]
["166667769","CC(C)/C(N)=C/N(C)N"]
["150310339","CSc1ccc(C2CC3(C)C(CCC3(O)C(C)(F)C(C)(F)F)C3CCC4=CC(=O)CCC4=C23)cc1"]
["188291235","CN(C)CCCNC(=O)c1cc(-c2ccc(F)cc2)no1"]
["19890354","CN1CCN(c2cc(OCCN=C(O)Cc3ccccc3Cl)ncn2)CC1"]
["20750948","C=CCO[C@@H](C)C(O)=NC[C@@H](c1ccccc1OC)N(C)C"]
["182360645","CC(C)CN1CCC2(CC1)N=C(O)N(N=[N+]=[N-])C2=O"]
["11864341","CCOc1cc(/C=C/C([O-])=NS(C)(=O)=O)ccc1OC"]
["79421512","CC(O)COC(C)COC(C)CO.OCCOCCOCCOCCOCCOCCOCCO"]
["69428957","C#CCOc1ccc(C2CC(O)=Nc3c2cnn3-c2nc3ccccc3s2)cc1OC"]
["135660525","Cc1ncsc1CCOC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1"]
["174241225","Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3CCN(C)C(=O)C3C2)nn1"]
["58456118","CC1CCCN(C(=O)c2cnc3c(cnn3C(C)C)c2)C1"]
["182883811","CC[C@@H](NCCCN)c1ccc(Cl)c(C(=O)c2ccc(=N)[nH]c2)c1F"]
["129755132","COc1ccsc1S(=O)(=O)NC1CCCC(C(C)C)C1"]
["197337173","NC1CC1c1cnccc1C(F)(F)F"]
["47101658","CP(C)(=O)SCl"]
["106564139","COC[C@H](C)N=C(O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1"]
["119312776","CC(O)=Nc1ccc(C(=O)NCc2c(C)noc2C)cc1"]
["136334333","O=S(=O)(c1cc(Cl)ccc1Cl)N1CCOC(Cn2cccn2)C1"]
["94559090","CCc1cccc(Nc2cccc(OC(C)C)c2N)c1"]
["143870507","CC(O)=Nc1cc(C(O)=Nc2cccc(-c3cc[nH]n3)c2)cc(C(F)(F)F)c1"]
["81440813","CC1CN(Cc2ccccc2Cl)CC1C1N=C(O)C2CNN(C3CCCC3)C2N1"]
["173796623","CC(C)N1Cc2c(nc3cc(C4CCCCC4)[nH]n3c2=O)C1=O"]
["MCULE-7229778220","CON(C)C(=O)c1ccc(-c2c(F)cccc2NC(=O)c2ccc(F)cn2)cc1"]
["16275583","COc1cccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CC2)c1"]
["57474403","O=c1[nH]c(-c2ccc(F)cc2)nn2cccc12"]
["162433031","C[C@H](N=C(O)c1sccc1I)C(=O)O"]
["125281268","Cc1ccc(C(=O)N2CCN(C(=O)C(C)C3CC3)CC2)cc1F"]
["94260314","COC(C)CN1CCSc2ccc(N)cc21"]
["158268037","C[C@]1(O)CCCN(C(=O)c2ccc(C#N)s2)C1"]
["142783923","COCC(C)N(C)C(O)=NCC1CCC(C)(C)CC1"]
["21862852","CC(C)(C)C(=O)N1CCCN(CCOc2ccc3ccccc3c2)CC1"]
["144078103","CN(CC1CCCO1)C(O)=NCCc1nn(C)c2ccccc12"]
["23469765","C/C=C/c1ccc(OCCNC2CCCC2)c(OC)c1.O=C(O)C(=O)O"]
["MCULE-3031268929","COc1ccc(-c2c(C)cc(NC(=O)c3cccc(C(C)=O)c3)cc2C)c(OC)c1"]
["MCULE-2054293912","COc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCc2ccc(Cl)cc2Cl)cc1O"]
["97056068","C[C@@]12C[C@@H]1C=C1c3cc(Cl)ccc3OC[C@@H]12"]
["150979499","COc1cc(CNCCC2=c3ccccc3=NC2)cc(Br)c1OCC(=N)O"]
["100398305","C=N/N=C1\\Sc2ccccc2C1C"]
["MCULE-5363093829","N#Cc1nc(-c2ccc(CC(=O)O)cc2)cnc1N=C(O)CCC(=O)N1CCCCC1"]
["199226899","Cc1cccc(C)c1C(c1ccccc1)c1cccc(C(c2ccccc2)c2c(C)cccc2C)c1P1C(c2ccccc2)CC(=O)CC1c1ccccc1"]
["91546053","CC(=O)C1([Si](C)(C)C)OC1(C)C"]
["165442754","CCC(C)N=C(O)C(Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1"]
["127326635","CC1CCCCN1C(=O)CN(C)CCN1C(=O)c2ccccc2C1=O"]
["29448919","CC(CN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.O=C(O)C(F)(F)F"]
["7154043","O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C[C@H]2CCCO2)C1=O)c1cccs1"]
["MCULE-4312810055","CCC(C)N1C(=O)c2ccc(C(O)=NC(CO)C(O)=NCC(c3ccc(C)cc3)N(C)C)cc2C1=O"]
["129018152","N=C(O)NCc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)cc1"]
["56039412","C[C@@H]1C[C@H]1C(O)=NC1CCN(Cc2ccccc2)CC1"]
["58183310","CCCOc1c(Cl)cc(C(O)=NCC(c2ccc(C)o2)N2CCOCC2)cc1OC"]
["81713591","COc1ccc(C)cc1C(C)N=C(O)C1C=CC(=O)N=C1"]
["8340983","COc1ccc(Cl)cc1N[C@@H](C)C(O)=Nc1cccnc1Cl"]
["MCULE-5320444662","COc1ccc(F)c(-c2ccc(C(=O)Nc3ccccc3F)cc2)c1"]
["MCULE-5806758305","COc1ccc(C)cc1-c1ccc(=NC(=O)CC#N)[nH]n1"]
["169809032","CC(C)(CCC(C)(C)c1cccc2c1OCC2)c1ccc(Br)o1"]
["140098938","CN(CC(O)=NCc1ccc(COCC(F)(F)F)cc1)CC(C)(C)O"]
["82986091","CCCc1cn(CC(O)C(Cc2ccccc2)N=C(O)c2cc(C(O)=NC(C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)nn1"]
["69244797","COc1cccc(-c2nc(=NCCOc3ccc(C)cc3)o[nH]2)c1"]
["76600165","CCOC(=O)c1c(N=C(O)C(Sc2cccc(NC(=O)C(=Cc3cccc(Cl)c3Cl)N=C(O)c3ccccc3)c2)c2ccccc2)sc2c1CCCC2"]
["56899432","CCCn1ncnc1COc1ccc(C)cc1C#CCCl"]
["125395438","Cl.Cl.N[C@@H](Cc1ccccc1)C(O)=Nc1ccc(N2CCCCC2)cn1"]
["118563978","COc1ccc(NC(=N)NCc2cc(OC)ccc2O)cc1"]
["104804911","C[C@](NCC1CC1)(C(=O)O)c1ccc(S(C)(=O)=O)cc1"]
["161593387","CCCCCCCCCCSSSCCCCCCCCCC.S"]
["129024829","Cc1cnn(-c2ccc(NC(O)=NCCC(O)=Nc3ccccc3)cc2F)c1"]
["171097408","CCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[Ba+2]"]
["61950931","CC(C)(C)O[Si](C)(C)O.[Zr]"]
["165123483","COC(=O)c1ccc(/C=N\\N=c2[nH]nc(SCC(O)=NCc3ccc(C)cc3)n2N)cc1"]
["64326185","CCOC(=O)C(C)CN1CCC(CN2CCCC2)CC1"]
["105577817","CSc1ccc([C@H](C)N2CC[C@H](N)C2)cc1"]
["162131649","O=C(O)CC1(C(=O)O)CC2C=CCC21"]
["92161827","COc1cccc(Cl)c1C(C#N)OC"]
["174212371","CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)[C@@H](Cc2ccc(CCC[C@H](N)C(=O)O)cc2)CN(CC(=O)OC(C)(C)C)CC1"]
["104136614","Cc1ccc(CN(C)C(=O)CN2CC[C@]3(CCC2=O)CN=C(O)c2ccccc2O3)o1"]
["30312014","Cc1[nH]c2c(-c3cc(C(F)F)ccc3OCC3CC3)ncnc2c1C(O)=NC1CCC(N=C(O)CO)CC1"]
["47459611","C[C@@H](OC(=O)Cn1cnnn1)C(O)=Nc1ccc(Br)cc1F"]
["159564324","COc1ccc(CC(=O)N2CCCC(NC(=O)c3cccs3)C2)c(OC)c1"]
["134310657","COc1ccccc1CCN=C(O)C1CN(c2cc(-c3ccccc3)ncn2)C1"]
["66454697","N#CC(Nc1ccc(Cl)cc1)c1ccccc1F"]
["103814374","C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)C(O)=NC1CCCC1"]
["140752825","CCOc1cc(CN2CCCCC2C(=O)OC)ccc1OC(F)F"]
["18921074","C[C@H](O)c1cccc([NH+]=C(O)C2=C(Cl)C3=N[C@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)c1"]
["59214999","CCCc1c(C#N)nnn1CCC"]
["106336799","CC(C)(CO)NCCc1ccc2c(c1)NC[C@H](c1ccccc1)O2"]
["168955424","C/C=C\\S/C(=C\\C)C(C)(C)P"]
["46311382","Cc1nc(CN2CCOC(CC(=O)O)C2)no1"]
["119976630","N#CC(OCCCO)c1ccc2c(c1)CCO2"]
["12839105","C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1"]
["142238341","CCCCCOC(=O)c1cc(C#N)cs1"]
["MCULE-2390650706","Cc1ccc(C)c(C(O)=Nc2cc(F)ccc2-c2cncc3ccccc23)c1"]
["157961789","Cc1cc(CN2[C@H](C)C[C@@H]2C)no1"]
["104726027","COc1ccc(CN[C@H](C)CCc2ccccc2)cc1F"]
["174924487","N#Cc1cc(NC(=O)O)cc(C(O)=NO)c1"]
["157911934","C[C@H](Nc1ccc(F)cc1)C(F)(F)F"]
["44922350","CC(N=C(O)CN1CCCCCC1)c1ccc2ccccc2c1"]
["MCULE-5926327970","CCCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CNc1ccc(N(CC)CC)cc1"]
["52514213","CN(CC1CCC1)c1nc(Cl)nc(-n2cncn2)n1"]
["127561316","COc1cc(NC(=O)c2nn(-c3ccccc3)cc2C)ccc1N1CCCC1=O"]
["32965663","C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]23CN(Cc4ccccc4)C(=O)CN2C(=O)CN1C3)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["127563085","CC1CC(N=C(O)N2CC(O)=NC3CCCCC32)CC(C)O1"]
["MCULE-9529917670","O=C(c1cnccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3F)cc2)CC1"]
["MCULE-6939522180","OC(C=Cc1cccc(Cl)c1)=Nc1nc(N2CCN(c3ccccc3Cl)CC2)nn1-c1ccccc1"]
["176416391","C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OC(O)=NCCN=C(O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)[C@H]2O)c2[nH]c(=N)nc(O)c21"]
["174538587","Cc1ccc(N=C(O)c2cc(F)cc(C(F)(F)F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1"]
["MCULE-9688500989","COc1ccc(CC(=O)O)cc1-c1ccccc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1"]
["163026934","CC/C=C\\[C@@H]1CCC[C@@H]1C=O"]
["53330561","CC(C)OCCOC(=O)CC1CNC1"]
["10280386","O=C(CN1CCN(C(=O)c2ccco2)CC1)[NH2+]c1ccc(N2CCCC2=O)cc1"]
["MCULE-5100125043","CCn1nccc1CN1CCCC(N=C(O)C2(c3ccccc3F)CC2)CC1"]
["133637162","CCCN1C(=O)CCc2cc(NC(O)=NCC3(C4CC4)CC3)ccc21"]
["131286826","CC1CC1C(O)=Nc1ccc(F)cc1C(O)=NC1CCC(=O)N(C)C1"]
["51828387","CCC(C)N=C(O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O"]
["12966061","COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H](C(=O)OC)c2ccccc2[C@@H]1C(=O)OC"]
["MCULE-4799436136","Cc1ccc(COC(=O)Cc2ccccc2I)cc1Br"]
["MCULE-8206826293","COCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1"]
["MCULE-1462407068","COc1ccc(CC(=O)N2CCOc3ccc(N=C(O)c4ccc(F)c(F)c4)cc32)cc1"]
["46680449","C=NC(=O)C(=O)N=C1C=CC(=C)C=C1"]
["90596663","CC(C)[Si]1(C(C)C)OCC2OC(N3C(=O)N=C(O)CC3N=[N+]=[N-])CC2O[Si](C(C)C)(C(C)C)O1"]
["MCULE-1233941917","COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C(=O)Nc3ccc(O)cc3C)C(C)C)cc12"]
["163962078","N#CC(C#N)C(=N)Oc1ccccc1"]
["97432511","CCOC(=O)C1(C(F)(F)F)C/C1=C/c1ccccc1"]
["88395983","CNC1CC(C)SCc2c(Br)cccc21"]
["21883991","C[C@H]1CN(C)[C@@H](c2ccccc2)C[C@]12N=C(O)N=C2O"]
["68691811","O=C(OCC(O)=Nc1cccc2ccccc12)C(N=C(O)c1ccccc1)c1ccccc1"]
["88114415","COc1cc(F)ccc1C(O)CCN"]
["77725212","CCCCC1CN(CC(O)=[NH+]CC2CC[NH+](CCOC)C2)Cc2ccccc2O1"]
["112012138","Cc1cc(S(=O)(=O)NCC(C)N(C)C2CC2)sc1Br"]
["144898288","NCC(C(=O)O)c1ccccc1OC(F)F"]
["130950129","CC(NCC(O)COc1cccc2[nH]ccc12)c1nc(C2CCCC2)no1"]
["MCULE-6473387757","CCc1nccn1CCC(=O)N1C[C@H]2CN(Cc3cncs3)C[C@H]2C1"]
["89326638","Cc1ccc(CC2(O)CCCCNC2)s1"]
["62050773","CCCNC(C)(Cn1ccc(C)n1)C(=O)OC"]
["173129566","C1=CCCCCCOC/C=C/CCCCC1"]
["115213545","ClCc1cccc(Cl)c1N1CCCCCC1"]
["196757056","C=CC(=O)N1CCN(c2nc(=O)n3c4c(c(-c5cc(Cl)c(F)cc5F)c(C)cc24)SCC(OC2CC2)C3)CC1"]
["143476541","O=C(Nc1cccc(Cl)c1Cl)c1ncoc1-c1ccc(F)cc1"]
["101950965","CCOC(=O)Cc1ccc(N2CC(F)C2)cc1"]
["174474472","CCCCCCC.OC1=Nc2ncnc(OCc3cc(-c4ncc[nH]4)no3)c2CC1"]
["176873211","CC(=O)c1nc(=O)[nH]c(O)c1N"]
["194030106","CC(C)(O)C(O)CS.CC(C)(O)C1CO1"]
["58856238","Cc1n[nH]cc1S(=O)(=O)c1ccccc1"]
["161133643","Cc1nc(C2CN(CC(O)=Nc3nc4c(s3)CCC4)CCO2)no1"]
["70691051","Cc1nn(C)c2nc(N3CCCC4(CC3)CN(C)C(=O)O4)sc12"]
["MCULE-1409370771","COc1cc(C(O)=Nc2ccc(N3CCN(C)CC3)cn2)cc(-c2ccc(S(C)(=O)=O)cc2)c1"]
["63386641","COCC(C)n1c(C)cc(C(=O)COc2cc(Cl)cc(Cl)c2)c1C"]
["117575776","Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(C)(C)C)CC1"]
["145659083","COC(O)=NC(C(=O)N1CC(F)(F)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc(C6C[Si](C)(C)CN6C(=O)[C@@H](N=C(O)OC)C(C)C)[nH]5)cc4)ccc3c2[nH]1)C(C)C"]
["MCULE-9275661928","Cc1cc(OCC(O)=Nc2ccccc2C(C)(C)C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1"]
["622809","O=C1OC2(CCN(C(O)=Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21"]
["65684163","CCOC(=O)CCCCCN1C(=O)C2(CCCC2)N=C1O"]
["187800429","N#CC1(CS(=O)(=O)c2ccc(OC/C(=C/F)CN)cc2F)CCOCC1"]
["MCULE-8236387631","CCOc1cccc(-c2cn(C)[nH]c2=NC(=O)c2ccc(C)c(OC)c2)c1F"]
["61713641","CN(C)N=C(O)[C@@]1(Cc2ccccc2Br)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1N=[N+]=[N-]"]
["161606551","N=C(O)N(C(c1cc2ccccc2[nH]1)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1)C(c1cc2ccccc2[nH]1)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1"]
["170320007","CCCCOC(=O)CN(CC(=O)O)N1C(=O)CSC1=S"]
["MCULE-6969104513","COc1cc(C)c(-c2ccc(OC)c(CCC(=O)N3CCc4cc(OC)c(OC)cc4C3)c2)c(C)c1"]
["121946184","OC(=NCC1CC1)C1CCCN(C(O)=NCC(c2ccccc2)C(F)(F)F)C1"]
["153834795","C=C(C(O)=NCc1cn([C@@H]2C=CCCC2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1"]
["103596336","O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCO[C@H](c2ccccc2)C1"]
["102596890","CC1=CC[C@@H](Nc2cccc(N3CCCC3=O)c2)CC1"]
["99115941","CC(CC(O)=Nc1c(Cl)ccc2nc(Cl)ccc12)c1ccccc1"]
["103547091","O=S(=O)(NC[C@@H]1CCCO1)c1cc(C(O)=NCCSCc2ccccc2)ccc1Cl"]
["95005432","CNCc1cc(Cl)ccc1Oc1cc(F)ccc1Br"]
["171382328","[2H]c1c([2H])c([2H])c([C@@](C)(OCCC2CCC[N@@+]2(C)[O-])c2ccc(Cl)cc2)c([2H])c1[2H]"]
["199409974","CC(=O)C1(N)CN(C(=O)OC(C)(C)C)C1"]
["16596209","Cn1cccc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1"]
["151573908","CC[C@@H](C)N=C(O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O"]
["63976748","Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1Cl"]
["46719941","CC(C)Cc1noc(-c2ccc3[nH]c(=N)sc3c2)n1"]
["58444836","Cc1nc[nH]c1CNc1cc(C(=N)O)ccc1Cl"]
["48006338","O=C(O)CS(=O)Cc1cccc2ccccc12"]
["19295122","[H]/N=c1\\c(=C\\c2ccc(OC)c(OC)c2)c(=O)nc2s/c(=C\\C(=O)N3CCOCC3)[nH]n1-2"]
["136870175","CCN(CC)S(=O)(=O)CC(O)=NC1CCN(C(C)c2ccncc2)CC1"]
["MCULE-3397252560","COc1cc(-c2c(C)nc(N=C(O)c3ccnc(N4CCOCC4)c3)nc2C)ccc1C"]
["171043531","COc1ccc(C=Nc2cccc3cccc(S(=O)(=O)O)c23)cc1"]
["30315815","CCCCCC1=CCC(C(=O)N(Cc2ccc(-c3ccc(C(=O)OC)cc3)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)S1"]
["176772890","CC.CCC1CCC(C2CCC(C)C(C(CC)C(CC)C3CCC(C4CCC(C)CC4)CC3)C2)CC1CC1CCCCC1"]
["62086484","CC(=O)c1cccc(NC(=O)c2ccc(NC(O)=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1"]
["42280918","COc1cccc(CCC(O)=Nc2nc3ccccc3n2C(C)(C)C)c1"]
["29800307","FC(F)(F)OC1=NC2(CO1)c1ccccc1Oc1ccccc12"]
["19187949","Cc1ccc(-c2ccccc2C[NH+]2CCC[C@@H](N3CCCC3)C2)o1"]
["46834453","CCC(CC)(CN)CN1CCSCC1S(C)(=O)=O"]
["2428041","Cc1ccccc1N(C(=O)c1nn(C)c(=O)c2ccccc12)C(C)C"]
["60665129","CN=C(O)c1cc(Cl)ccc1N=C(O)CN=C(O)C1CCN(CC(=O)Nc2ccc(C(=O)NC)cc2C)CC1"]
["121602454","C[C@H](NC(O)=NCCOc1ncccc1Cl)c1ccccc1"]
["178231205","Clc1cc(C2C=CC=CC2)ccc1Nc1cccc2c1C1=C(CCC=C1)C21c2ccccc2-c2cc(-c3ccc4c(c3)sc3cc(NC5CCCC6C5c5ccccc5C5C78C=CC=CC7c7ccccc7C658)c(Cl)cc34)ccc21"]
["34721913","COc1cccc2c(=O)c3c(OC)ccc(OC)c3oc12"]
["127051471","CC(=O)N1CSCC1C(=O)N1CCCc2cccc(OC(F)F)c21"]
["159136887","CC(C)N[C@H](C#N)[C@H](C)O"]
["177176177","O=P12OC3[C@](O)(O[C@H](CO)[C@H](O)[C@@]3(O)O1)O2"]
["143531151","Cc1nc(CCN=C(O)NCc2ccnc(N3CCCC3)c2)sc1C"]
["107212430","CN(CN1C[C@H](c2cccc(F)c2)CC1=O)[C@@H]1CCS(=O)(=O)C1"]
["147786538","N=C(N=C(N=Cc1ccccc1)c1ccccc1)C1C=CC=CC1"]
["161619485","CN1CCN(Cc2ccc(N=C(O)N=c3[nH]n(C)c4cc(-c5cnc(=N)[nH]c5)ccc34)cc2C(F)(F)F)CC1"]
["102573916","C[C@H]1[C@@H](C)CCC[C@H]1N=C(O)[C@@H]1N(CCN2CCCC[C@@H]2C)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]3C=C[C@@]21O3"]
["88508174","CC(C)Oc1cc(N2CCOC3CCCC32)ccc1N"]
["148122800","CC(C)(C)CN(Cc1ccccc1)C(=O)C1(S(C)(=O)=O)CCNCC1"]
["45341959","OC(CCN=C(O)c1cccc(OCc2ccccc2)c1)=NCc1ccccc1"]
["97836391","C=CC[N+](CC=C)(CCCCCCCCCCC)CC(=O)O"]
["105139978","Cc1ccsc1[C@H](CO)NC1CCCC1"]
["152062739","N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc2ccccc2c1"]
["47052599","Cc1ccccc1C(O)=NC(C(=N)NO)c1ccccc1"]
["159897015","OC(=NC1CCOC2(CCC2)C1)N1CCCCC1c1cc2ccccc2[nH]1"]
["184055548","COc1ccc(COc2cncc(-c3ccc([N+](=O)[O-])nc3)c2)cc1"]
["6796034","C[C@H](NC(=O)c1ccc(NC(=O)C[NH2+]C2CCCCC2)cc1)c1ccccc1"]
["118647874","CN=C(NCc1ccc(S(N)(=O)=O)cc1)NCc1ccc(C)s1"]
["157961634","ClCc1c[nH]c(-c2ccncc2Cl)n1"]
["85909326","CNCCCN(C)C(=O)Cc1ccc(Cl)cc1"]
["112106944","O=C(O)C[C@@H](N=C(O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(F)F)c1"]
["129600619","C=CCOC(=O)C(C)NS(=O)(=O)c1cccc(C(F)(F)F)c1"]
["104577691","CC[C@@H](N(C)C)[C@](C)(N)c1ccc(OC)cc1"]
["171008851","COc1c(C(C)=O)ccc([N+](=O)[O-])c1Cl"]
["MCULE-8592124624","CC(O)=Nc1cccc(-c2ccc(NC(=O)Cc3ccc(F)c(F)c3)c(C#N)c2F)c1"]
["108649079","COc1cc(C)ccc1C[C@H](N)c1cccn1C"]
["MCULE-6751119007","CC(C)(C)OC(=O)N1CC(F)CC1C(O)=Nc1ccc(-c2ccc3c(c2)CN=C3O)cc1F"]
["10599266","COc1cccc(C(O)=N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)CCc2ccc(OC)c(OC)c2)c1"]
["MCULE-6970851880","CCc1c(C2CCC2)nn(C2CCSCC2)c1Cl"]
["150800301","Cc1cc(=NC(=O)[C@H](C)OC(=O)C(c2ccccc2)c2ccccc2)[nH]o1"]
["121655349","C=C(C)CN(CC)C(=O)CSCc1nc(-c2ccco2)no1"]
["MCULE-8856531900","O=C1C(Nc2ccccc2)=C(c2ccccc2Cl)C(=O)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1"]
["198072213","N#Cc1cccc(F)c1N=C(O)CCl"]
["23613705","COC(=O)c1cc(CN=C(O)CC(C)c2ccc(F)cc2)oc1C"]
["48330490","COc1cccc(CC(C)N)c1OCC(=N)O"]
["MCULE-4409146576","COc1ccc(=NC(=O)c2nn(C)cc2-c2ccc(C)cc2C)[nH]n1"]
["153895907","CCOc1cc(CCN=C(O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC"]
["MCULE-2085610001","CCCCC(NC(=O)c1ccc(Cl)nn1)C(O)=Nc1cccc2cccnc12"]
["MCULE-3557310951","COc1cc(F)cc(-c2cc(N=C(O)C3CCS(=O)(=O)CC3)cnc2OC)c1"]
["168424089","CN1CCN(c2cccc(-c3nc(C=C4C=Nc5ncccc54)c(O)[nH]3)c2)CC1"]
["175306624","CC1CCCCC1(C)C(O)=NCc1cc(F)cc(F)c1F"]
["MCULE-5406690325","CCOC(=O)c1ccc(NC(=O)C(CO)N=C(O)CC(c2cccc(Br)c2)c2nccs2)cc1"]
["140932244","CCN(C)CC1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1"]
["95453753","CCNCC#Cc1cnnn1-c1ccccc1"]
["33665184","O=C(OCc1ccccc1)c1cc2cc(c1)oc1[nH]c3oc4cc(C(=O)OCc5ccccc5)cc(c4)oc4[nH]c(o2)=NC(=NCCOCCOCCOCCN=C(N=1)N=3)N=4"]
["175749406","O=C(Oc1ccnc(OCC2CCCCC2)c1)C1CCOCC1"]
["101358799","CCOc1ccc(-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(=O)O)c2N2CCC(C)(C)CC2)cc1F"]
["176144659","N=C(O)Oc1ncc(O)cc1F"]
["152690029","C=C/C=C\\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)C(=O)N=C1SCC(O)=NC(c1ccccc1)c1ccccc1"]
["11278007","C[C@@H](C(O)=NN=C(O)Cc1c[nH]c2ccccc12)n1cncn1"]
["MCULE-1249804977","CC1COCC(C)N1C(=O)C(Cc1c[nH]c2ccccc12)N=C(O)c1cccc(N2COc3ccc4ccccc4c3C2)c1"]
["88572298","CC(C)CN(c1ccnc2c(N)cccc12)C1CCCC1"]
["101773714","c1ccc(-n2cnc3c(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)cccc32)cc1"]
["175084747","COc1cc(OC)c2c(OC(=O)O)c(O)c3c(C)cccc3c2c1"]
["13603345","OC(CCCc1ccccc1)=NNC(O)=NCC(O)=Nc1ccc(F)c(F)c1"]
["13614840","Cc1ccc2cc(CNC(=O)c3cccs3)c(O)nc2c1C"]
["99211873","N=C(O)/C=C/C(=O)N(C(=N)O)c1sc(Cc2ccccc2)cc1C(N)=O"]
["176695795","BC(=O)O[C@@H](C)COC=O"]
["48588797","COc1cccc(N2CCN(C(=O)CCN=C(O)/C=C/c3ccccc3)CC2)c1"]
["172313671","N#CC(=NOC=NOCC1OC=CO1)c1ccccc1"]
["52173261","CC(OC(=O)CCSc1ccc(Cl)cc1)C(=O)N1CC(O)=Nc2ccccc21"]
["77103159","Nc1ccccc1N=C(O)C=CCCCC(OC(=O)N=C(O)c1ccccc1)c1ccc(O)c(F)c1"]
["114931240","CNC(c1ccc(OC)c(Cl)c1)c1cc(Cl)ccc1I"]
["159043422","CN(C)S(=O)(=O)N1CCC2(CC1)CN(c1cccc(F)c1)[C@H]2c1ccccc1"]
["91816433","CCNC(COC)Cc1nc(-c2occc2C)no1"]
["24410027","O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(O)=NC1CCCC1)c1ccco1)c1ccco1"]
["31304520","FC(F)(F)c1cccc(N=c2[nH]nc(-c3cccc(Oc4ccnc5ccccc45)c3)s2)c1"]
["192717077","O=C1Cc2cc(C(O)=NC3CCCCC3)ccc2C(=O)N1Cc1ccccc1"]
["171530121","OCC(O)CC1CCCOOOOOCC1"]
["MCULE-6906485791","Cc1nc(C(=O)N(C)c2ccc(-c3ccc(C)c(C)c3)cn2)cs1"]
["66339379","CNC(Cc1cccc(OC)c1)CC1CCC1"]
["MCULE-7893018330","COc1cccc(CCC(O)=Nc2cc(-c3cnc(N(C)C)nc3)cnc2C)c1"]
["165853501","COc1cccc(COC(C)C(O)=NC2C(C)NNC2C(=N)O)c1"]
["103568546","Cc1cccc(C)c1N=C(O)CN=C(O)[C@@H](C)OC(=O)c1sc(-c2cccc(Cl)c2)nc1C"]
["14756701","Cc1ccc(CN=C(O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)S[C@H](C)C3)cc1"]
["19224303","CCC(CC)C(O)=NCc1nc2ccccc2n1C"]
["MCULE-5663758025","CCOC(=O)c1ccc(Nc2cc(N(C)CCc3cnc[nH]3)nc(-c3ccccc3C)n2)cc1"]
["MCULE-5444638995","CCOc1cccc(F)c1-c1ccc2nc(N=C(O)c3sc(C)nc3C)nn2c1"]
["61261125","Nc1ccc(S(=O)(=O)NC2CC2)cc1Br"]
["MCULE-5895935329","CCCCCCCCCCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2OC)C1=O"]
["23650874","CCOc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)nnc2-c2ccncc2)cc1"]
["177574962","Cc1ccccc1-c1cc2c(cc1Cc1nc3sc4ccccc4c3nc1-c1ccccc1)sc1ccc3ccccc3c12"]
["101699335","COC(OC)(C(C)[SiH3])C1CCCCC1"]
["20536527","CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3[nH+]c12"]
["148927436","CC1SCCN1S(=O)(=O)Cc1ccccc1"]
["176215606","[2H]C1C=CN(c2ccc3c(c(C)cn3C3CCNCC3)c2C)C([2H])N1"]
["6514089","CC(C)c1cccc(C(C)C)c1NS(C)(=O)=O"]
["14291009","CN1CCN(C(=O)c2ccncc2)CC1"]
["34612354","CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2S[C@H]1C#N"]
["149439850","COC(=O)c1ccc(N2C(=O)C(=O)/C(=C(\\O)c3ccc(Cl)cc3)C2c2cccc(OC(C)C)c2)cc1"]
["64536945","Cc1cccc2c1C(=O)N(CC#N)C2"]
["MCULE-1419422895","OC(=Nc1nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2s1)c1cscn1"]
["87051278","N=C(N)c1cc(F)cc(CSC2CCCCC2)c1"]
["167073011","Cc1nc(N2CC(c3nc(-c4ccccc4)no3)C2)c2cnn(C)c2n1"]
["185892963","C=C(c1cc(N2CCC(C=O)CC2)ccc1N)N(N)C1CCC(O)=NC1=O"]
["165710158","O=[N+]([O-])c1ccc(C(O)C(CO)Nc2ncnc3c(F)cccc23)cc1"]
["84466726","N#CCCN(CCN1CCOCC1)C(=O)c1csc(I)c1"]
["82869592","CC(=O)OC1C=CC2C3Cc4ccc(OC(C)=[OH+])c5c4C2(CC[NH+]3C)C1O5"]
["176132716","[2H]c1ccc(N)c(NC(=O)c2ccc(C3CCN(Cc4cn(C)nc4C)CC3)cc2)c1"]
["MCULE-8341817242","CCc1c(C=O)cnn1-c1cccnc1N"]
["91574333","O=C1CN(N=Cc2ccccc2)C(=O)N1Cc1ccccc1"]
["MCULE-1663033514","Cc1cc(-c2c(C3CCCCC3)nn3c(Cl)cc(CC(=O)O)nc23)ncc1F"]
["77115070","CCOc1ccccc1C1C(=C(O)c2ccc(Br)cc2)C(=O)C(=O)N1Cc1ccco1"]
["23860958","Cc1ccc(Cl)c(OC(C)C(O)=NCC2(N3CCOCC3)CCSC2)c1"]
["169958529","Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(O[C@H]3CCOC3)c3nccn3c2n1"]
["126511645","CCc1nc(CCNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cs1"]
["92763215","CCSCCC(C)N=c1[nH]c2ccc(C(=O)O)cc2o1"]
["MCULE-8260338341","Cc1ccncc1C(O)=Nc1cc([N+](=O)[O-])ccc1-c1cncc2ccccc12"]
["153642157","N=C(O)O[C@@H](CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1"]
["86566282","CCCN1CCN(c2cc(C)nc(C)c2C(=N)N)CC1"]
["15812008","N=C(O)Nc1cccc(N=C(O)CNC(=O)c2ccc3c(c2)CCC3)c1"]
["139060268","O=S(=O)(Cc1ccn(-c2ccccc2)n1)Cc1ccccc1OC(F)F"]
["21264003","Cc1ccc(C(=O)N[C@H](C(O)=NCC2(N3CCOCC3)CCCCC2)C(C)C)cc1"]
["MCULE-7455084528","COCCCN=C(O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)C1c1ccccc1C"]
["MCULE-3406042101","COc1ccc(CC(O)=NC2CCS(=O)(=O)CC2)cc1-c1cnc(N(C)C)nc1"]
["118574103","CC(O)(CNC(=N)NCCc1cccs1)c1ccccc1.I"]
["88450266","CCCOCCCN=c1[nH]c(Cl)nc2ccccc12"]
["53496669","Cn1c(O)nnc1SCc1ccc(N)c([N+](=O)[O-])c1"]
["149451836","CC(=O)Oc1cccc(C2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2c2ccc(Cl)cc2)c1"]
["185899884","CC(C)OC(=O)[C@H](C)NP(=O)(OCC1OC(n2cnc3c(O)nc(=N)[nH]c32)C[C@H]1O)Oc1cccc2ccccc12"]
["135376742","CS(=O)(=O)CCN=C(O)c1occc1Br"]
["133317951","C=CCOc1ccccc1C(=O)N1CCC(Nc2ccccc2)C1"]
["MCULE-8581242658","CCCc1ccc(-c2cc(C)cnc2N=C(O)c2ccc(N3CCN(C)CC3)cc2)cc1"]
["100145003","CCOC(=O)c1cnn(-c2cccc(-c3cc(F)ccc3CCc3ccc(OCCCn4cccn4)cc3C)n2)c1C(F)(F)F"]
["9407345","CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1"]
["154725347","CN1CCC(N=C(O)CN2CCN(/C(N)=C/C(=C\\N)c3ccc(Cl)cc3)CC2)CC1=O"]
["147926306","COCCc1ccccc1N=C(O)N1CCOC(c2nccs2)C1"]
["138265697","C#CCCCCNC(=O)C(=O)Nc1ccc2nc(C)oc2c1"]
["183131896","COc1c(OCCCC(=O)N2CCOCC2)ccc2c1N=C(C=C(N=[N+]=[N-])c1cccnc1)N1CCN=C21"]
["MCULE-7796284563","Cc1cc(F)ncc1-c1cc(F)c(F)cc1NC(=O)c1ocnc1C"]
["149604801","OC(=Nc1nc2cnccc2s1)c1ccnc(CN=C(O)C2CC2)c1"]
["MCULE-5325658190","Cc1cc(C2=C(Nc3ccc(NC(=O)C(C)C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)ccc1F"]
["127197424","Cc1cccc(S(=O)(=O)CCCSCc2cc(-c3cnn(C)c3)no2)c1"]
["144517577","CC1CN(C(=O)C2CCCC2)CCC1c1ccccc1"]
["197117606","Cn1c(=O)c(C(=O)N2CC[C@H](O)[C@H](C(=O)O)C2)cc2ccccc21"]
["157247950","CCC(C)=NN/C=C1/C(=O)N(CC)c2cc(C3=NN=C(O)CC3)ccc21"]
["128579160","CC(C)(C)c1nc(CCN=C(O)Nc2ccc(-n3cccn3)nc2)cs1"]
["147384044","COCC(N)C(O)=NCCc1c(C)cccc1C"]
["165431763","CC(C(O)=NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(Cl)c1"]
["MCULE-5578061399","CN(C(=O)c1ccccc1-c1cnc(N2CCOCC2)nc1)C1CC1"]
["180038982","CC1=NC2C(O)NC(O)=NC2N1C"]
["59472595","Cc1cc(-c2csc(N=C(O)C3CCN(c4ccc(C#N)cn4)CC3)n2)c(C)n1CC1CCCO1"]
["30793990","CC(C)(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N(C[C@H](F)CN)C(=O)N1CCC[C@H](O)C1"]
["196533765","CC(C)c1ccc2c(-c3[c-]ccc4c3oc3cc(F)ccc34)nccc2c1.CCC(CC)/C(O)=C/C(O)C(CC)CC.[Ir]"]
["MCULE-8183929154","CC(O)=Nc1cccc(-c2ccc(F)c(N=C(O)c3ccsc3)c2)c1"]
["MCULE-7621183700","Cn1cnc2ccc(N=C(O)CCC(=O)OC(C)(C)C)cc21"]
["135917389","CCOC(=O)CC(C)(NCC(O)=NCC1CC1)C(C)C"]
["91505423","CC1=NC(c2ccccc2)=C(C)N=C(c2ccccc2)C1c1ccccc1"]
["MCULE-7802700408","Cc1cccc(OCCCOc2cn(CCN3CCOCC3)c(CN3CC(C)CC(C)C3)cc2=O)c1"]
["135457999","CCc1nsc(N2CCN(Cc3csc(N(C(C)=O)C4CC4)n3)CC2)n1"]
["88030877","CC(C)(C)c1ccc(CO)c(=O)n1C1CCCC1"]
["117080604","CN=C(O)C1(c2ccccn2)CCCN(C(=O)c2cccc(OCc3c(C)noc3C)c2)C1"]
["78727851","C/C(F)=C(\\CC(C)C)c1ccc(O)c(CN2CCN(C(=O)CCCN=C(O)CON)CC2)c1C"]
["66496814","Cn1cnnc1SCc1ccc(C(=O)NN=C(O)c2ccc3c(c2)N=C(O)CS3)cc1"]
["46156461","CNC(=O)c1ccc(/C=C/C(O)=NCc2cccnc2-n2cccn2)cc1"]
["MCULE-8520666210","COc1ccc(-c2cccc(C(=O)N(C)OC)c2)c(C(=O)N2CCC(N(Cc3ccccc3)C(=O)OC(C)(C)C)CC2)c1"]
["MCULE-3000024282","COc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)Cc3ccc(-c4cc(C)cc(F)c4)c(F)c3)CC1)C2"]
["199938615","CC.N#Cc1ccccc1.OC1(c2ccc(C(F)(F)F)cc2)CCNCC1"]
["3446216","CC(C)=CC(=O)N(Cc1ccc(C)o1)[C@H](C(O)=NC(C)(C)C)c1cc([N+](=O)[O-])ccc1Cl"]
["92228591","CCSCCC(C(=O)O)c1ccc(Cl)cc1"]
["MCULE-2036893938","Cn1nc(C(F)(F)F)cc1-c1ccc(N=C(O)c2cccc(F)c2F)c(F)c1F"]
["111565368","O=C(O)C1CC2CCC1N2c1nnc2ccccc2n1"]
["MCULE-7433312265","COC(=O)c1cnn(-c2ccc(C(C)(C)C)cc2O)c1C(F)(F)F"]
["MCULE-5354075607","CCn1nccc1-c1cc(C(O)=NC2CCN(C)CC2)ccc1OC"]
["23856408","CCc1cc(N2CCNCC2)nc(-c2ccccc2F)n1"]
["167179932","COc1cccc2c1C1(CCNCC1)C(O)=N2.Cl"]
["MCULE-3238360912","CCc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2cccc(Cl)c2)cc1"]
["163259294","CN[C@H](CO)c1ccc2nccnc2c1"]
["96857885","C/C=C(\\c1ccc(OC)cc1)C(C)F"]
["200400133","COc1cc(N2C(=N)NC(=N)NC23CCCCC3)ccc1OCC(=N)O"]
["81557978","CC(C)(C)C=CCOC(C)(C)C"]
["168278844","OC1=NCc2nc3c(ccc4c[nH]c(/C=C/c5ccc(CN6CCOCC6)cc5)cc43)c21"]
["149161168","CCOc1ccc(C2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1OC"]
["25787266","CCCc1nc(C#N)c(C(O)C(C)(C)C)[nH]1"]
["105571712","C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccnc2)c1"]
["MCULE-2370403259","CCc1cccc(C)c1N1CC(c2nc3ccccc3n2CC(=O)Nc2ccc(C)c(C)c2)CC1=O"]
["60014175","CC(C)(C)CC(C)(C)N=C(O)Cn1nnc(-c2cccs2)n1"]
["10626737","C[C@@H](N=C(O)[C@@H]1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1)c1ccccc1"]
["18471961","Cc1cccc(C(C)(C)CN=C(O)c2nn(-c3ccccc3)c(C)cc2=O)c1"]
["MCULE-2919282711","CCN(CC)CC(O)=NCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1"]
["MCULE-2830432288","CCc1ccnc(N=C(O)c2cnc(-c3ccncc3)cn2)c1"]
["144757107","CNCc1cn(C(C)C)c(C(=O)O)n1"]
["168729190","Cn1[nH]c(=NCC2CC2)c2cc(Cl)sc21"]
["33649196","CC1CCN(C(=O)C(CCn2ccc(C#N)c2)NS(=O)(=O)c2cccc3[nH]ccc23)CC1"]
["111862658","CC(C(=O)O)C(C)c1nc(C2CCCCC2)nn1C"]
["24900995","C[C@@H]1CCC[C@H](C)N1CCN=C(O)CN1CC[C@@H](O)C1=O"]
["159337695","CCO/C=C\\[C@](O)(CN=C(O)N[C@@H]1CCCSC1)C(F)(F)F"]
["168630908","Cc1cc2oc(=N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2c(O)n1"]
["60775770","CCOC(=O)c1c(N=C(O)C=Cc2ccc(Br)cc2)sc2c1CCC(C(C)(C)C)C2"]
["89913045","COc1ccccc1CCN=C(O)Nc1ccc(C(C)(C)C)cc1"]
["153544889","COc1cccc(CN=c2[nH]c(=NCCc3ccc(F)cc3)c3cc(OC)c(OC)cc3[nH]2)c1"]
["10979133","Cc1cc(OCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl"]
["174793048","CC(=O)CCC(=O)OC(=O)C(C)(C)C"]
["22751028","CC(C)(C)c1ccc(C=NN=C(O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1"]
["48986046","CN(C)N(C)c1ccc(C(N)=S)cc1"]
["151234519","C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H]2c2ccncc2)o1"]
["163922074","OCCSC(Cl)=C(SCCO)SCCO"]
["21485879","CN(C)C(=O)CN1CCC(N=C(O)N(C)C2CCCCC2)CC1"]
["119422224","Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccccc2)C(C)C2CC2)cc1"]
["133250684","Nn1c(SCCn2cnc3ccccc3c2=O)nnc1-c1n[nH]c2c1CCC2"]
["123670844","Cc1cc(N=C(O)C(=O)NCC(C)(O)CN(C)C)n(Cc2ccccc2)n1"]
["25452397","Sc1nccn1CCc1ccc(Br)o1"]
["143912117","Cc1cc(C)n2nc(C)c(C(=O)N3CCN4CCCCC4C3)c2n1"]
["138284266","Cc1ccc(C(O)=Nc2cnc(Cl)c(C)c2)cc1S(N)(=O)=O"]
["50578303","C[C-]=C(C)C1=C=C(C)C(C)=C(C)[C-]1C.[Y]"]
["31922975","O=C(O)N(Cc1ccccc1)C1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1"]
["61910482","CCN(C1(C)CCCCC1C)C1(C)CCCCC1C"]
["MCULE-5793385436","CCOc1ccc(-c2ccc([N+](=O)[O-])cc2NC(=O)C2CCC(=O)O2)c(F)c1"]
["10501709","O=C(Nc1cccc(-c2nnco2)c1)c1ccc(N=C(O)c2cccs2)cc1"]
["30437321","CCC(Sc1nsc(Nc2ccc(C)cn2)c1C(N)=O)c1ccc(Cl)cc1"]
["116241020","COc1cc(Cl)c(C)cc1N=C(O)c1cc(N2CCCC(C)C2)ncn1"]
["112636252","CCC(C)(OC)c1nnnn1C(CC(=O)O)C(C)(C)C"]
["4790024","CC(C)C[C@H](C)CC(=O)OCc1nnc(-c2ccccc2)o1"]
["172881332","COc1ccc(CN2CCN(c3cccc(C(F)(F)F)n3)CC2)cn1"]
["MCULE-1710697197","COc1ccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SCC(O)=Nc2ccccc2)cc1"]
["14520848","O=S(=O)(NCCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1)c1ccccc1F"]
["118089872","CN(CC(O)=Nc1ccc(Cl)cn1)CC(C)(C)O"]
["67643675","Cc1ccc([C@@H](C(=O)O)C(C)C(F)(F)F)cc1"]
["29208889","CCOC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(Cl)cn2)C[C@H]1C(=O)N1CCC(F)(F)C1"]
["149395475","O=C1C(Nc2cc(Cl)ccc2Cl)=C(SCc2ccco2)C(=O)N1c1ccc2c[nH]nc2c1"]
["107729877","CN1C(=O)C(C)(C)c2cc([C@@H](O)[C@H]3CCCN3)ccc21"]
["68030416","CC(C)c1csc(NS(=O)(=O)N2CCNCC2)n1"]
["153750165","C=CCN1/C(=N\\C(=O)Cc2ccccc2)S[C@H]2CS(=O)(=O)C[C@H]21"]
["1410964","CCOC(=O)c1cc2c(C(F)(F)F)cccc2s1"]
["160576065","CCC(C)N=C(O)CN1CCN(c2ccnc3cc(F)cnc23)CC1"]
["87113674","CCCn1nccc1C(=O)c1ncccc1F"]
["17082022","O=S(=O)(Cc1ccccc1F)[C@@H]1N=c2[nH+]cccc2=[NH+]1"]
["148721887","C=C(C)Cc1ccc2c(ccc3ccccc32)c1S(=O)(=O)[O-].[Na+]"]
["55959759","CC(CC(=N)N)SC1CCOCC1"]
["108228594","CC(C)(C)[C@H](C#N)OC(=O)C1=NN(c2ccccc2)[C@@H](C(=N)O)C1"]
["MCULE-1715682764","CC(=O)N1CCN(c2ncnc3c2cc(C(=O)NCCN=C(C)O)n3CC(C)C)CC1"]
["MCULE-8370488461","COc1ncc(C(O)=Nc2cccnc2C)cc1C=Cc1ccccc1"]
["138090094","Cc1ccc2cc(C(=O)Nc3cccc(-n4ccnn4)c3)[nH]c2c1"]
["MCULE-6129869808","CCc1ccnc(N=C(O)Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)c1"]
["83877904","CC(C)CCC(C)N=C(O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3"]
["MCULE-1499022767","COc1ccc(F)c(-c2cc(C)c(NC(=O)c3cccc(F)c3F)c(C)c2)c1"]
["33543776","CC[Si](CC)(CC)O[C@@]1(C)C[C@@]2(C)O[C@H]3C[C@H]4O[C@H]5C[C@H]6O[C@@H](CCCOCc7ccccc7)C[C@H](OCc7ccccc7)[C@]6(C)O[C@]5(C)C[C@@H]4O[C@@H]3CC[C@@H]2O[C@@H]1CC(=O)OC"]
["84700442","C=C(C)CC(N)C1Cc2ccccc2C1"]
["79502559","CCO[Si](C#Cc1c2ccccc2c(C#C[Si](OCC)(OCC)OCC)c2cc3cc4ccccc4cc3cc12)(OCC)OCC"]
["132184652","Nc1c(N2Cc3ccccc3C2)ncnc1-n1cccn1"]
["126400395","Cc1cc(Br)c(F)cc1NC(O)=NCC(C)C(=O)OC(C)C"]
["77340606","CCOC(=O)C(C)Cc1ccc(C(=O)N(C(C)C)C2CCCNC2)cc1OCCCOC.Cl"]
["31552755","Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)n2)cc1C"]
["80907372","CN(C)c1ccc(C=C2[NH+]=C(SCC(=O)N=c3c[n+](N4CCCCC4)[n-]o3)N(c3ccccc3)C2=O)cc1"]
["MCULE-5557358927","COc1ccc(F)c(-c2cccc(C#N)c2NC(=O)C2CCCCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1F"]
["148179464","NC[C@H]1CCC[C@H]1C(=O)N1CCC(Oc2ccc(Cl)c(Cl)c2)C1"]
["MCULE-5398274012","CCCN=C(O)CN(C(CC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC"]
["MCULE-5721115536","Cc1ccc2c(C)c(C(=O)NCCCc3ccccc3)c(=O)oc2c1C"]
["MCULE-1776578033","Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)C2c2ccncc2)c1"]
["125676534","OC(Cc1cccc(OCc2cccnc2)c1)=NCCN1CCCCC1"]
["123251511","CC(NC(O)=NCc1ccnc(N2CCCC2)c1)C(O)Cc1ccccc1"]
["CSSS06595060802","COC1CCN(Cc2nc(C(O)=NCc3cnc(C)cn3)co2)C1"]
["74322748","CCC(OC(=O)Cc1ccccc1)OC(=O)[C@H](O)C(C)(C)COS(=O)(=O)CCCN=C(C)O"]
["MCULE-6963424622","OC(Cc1ccc(-c2cccnc2)c(F)c1)=Nn1cnnc1"]
["43610422","O=S(=O)(CC1CCCCO1)Oc1ccc(Oc2ccccc2)cc1"]
["118410341","CCN=C(NCCN=C(O)C1CC1)NCC(C)c1cccc(C)c1"]
["49087795","Cn1c(C(O)=Nc2ccccc2C(=O)N2CCCCC2)c(Br)c2ccccc21"]
["83115501","CCCCCCCCCCCCCCCCOCCCOP(=O)([O-])COC(COC)Cn1cnc2c(N)ncnc21"]
["173193581","Cc1nc2c3c(c(C4CN4)cn2c1C)CCC(c1ccccc1)O3"]
["179895028","C[C@H]1OC(=O)[C@]2(C)C[C@@H]3CC4(CC[C@H]3[C@H](C=O)[C@@H]1C2)OCCO4"]
["83926906","C=C(C)CCc1c(O)cc(/C=C/c2ccccc2)c(C(=O)O)c1O"]
["105269249","Cc1cc(F)ccc1NC(O)=N[C@H](C)c1ccc2c(c1)OCO2"]
["MCULE-6097761410","COc1ccc(N=C(O)C(C(C)C)N(CC(O)=Nc2nccs2)S(=O)(=O)c2cccs2)cc1OC"]
["55062036","CC(CN)C(O)c1cccc(NCC2CCCCC2)c1"]
["45106781","CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2cnn[nH]2)c1"]
["95191229","COc1cc(CNCc2ccccc2Br)cc2c1OCO2"]
["23295309","Cn1cc(C2CCCN2C(=O)C2COc3ccccc3O2)cn1"]
["67276053","Cc1cccc(C2C(C#N)=C(N)N(c3nnc(SCC(=O)c4ccc(Cl)cc4)s3)C3=C2C(=O)CCC3)c1"]
["169307105","CC(C)N=C(O)NNCc1cccc(O)c1"]
["134341348","CCC(CC)N1CC(C(=O)N(C)c2ccccc2)CC1=O"]
["23844097","Cc1cccc(-c2ncc(CCl)s2)c1"]
["171548118","CS(=O)(=O)N[C@@H]1CN2C(=O)N(c3noc4ccc(F)c(-c5c(F)cccc5F)c34)CC[C@@H]2C1(F)F"]
["65637400","O=C1C(C(O)CSc2ccc(F)cc2)C(c2ccc(-c3ccc(P(=O)(O)O)cc3)cc2O)N1c1ccccc1"]
["169887744","CC(C)(C)CCNC(=N)N(C(=O)c1ccc(-c2cnn(C(F)F)c2)cc1)[C@H](COC(O)=NC1(C)CC1)c1ccc(Cl)c(-n2ncnc2C(F)F)c1"]
["195553100","CC(C)(C)c1ccc2c(c1)C1(C)CCCCC1(C)N2c1cc2c3c(c1)N(c1ccc(C45CC6CC7CC(C4)C765)cc1)c1cccc4c1B3c1c(cccc1[SiH-]4(c1ccccc1)c1ccccc1)N2c1ccc(C23CC4CC5CC(C2)C54C3)cc1"]
["141072630","O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(O)(c4ccccc4)CC3)o2)cc1"]
["129482081","CCSC1CCCC(N=C(O)NC(CO)CO)C1"]
["59608372","CC1(C)COB(c2cncnc2)OC1"]
["52881151","C=COC=C.OCCCCCCCO"]
["74980395","COCCCSN(CCCc1cncn1Cc1ccc(C#N)cc1)C(O)=NCc1ccccc1C(F)(F)F"]
["103503368","CCCCc1nnc(N=C(O)[C@H](N=C(O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)s1"]
["MCULE-1700232575","COc1cccc(C(=O)Nc2ncc(-c3c(C)cc(C)cc3C)cc2C)n1"]
["52264837","CS(=O)(=O)CC(O)=NCCCCC(=N)NO"]
["50542547","CCCSP(=O)(Oc1cccc(CCC)c1)OC1C=C(F)c2nc3ccccc3cc2C1=O"]
["76330826","NC1=CC(=O)C(=C2NN=C3C=CC=CN32)C=C1"]
["166491525","O=C(c1ccc(Cl)c2occc12)N1CCOC(c2ncon2)C1"]
["42399989","O[C@H](COC12CC3CC(CC(C3)C1)C2)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1"]
["129939799","COc1ccccc1C(C)(C)NCc1ccc(S(=O)(=O)C(F)F)cc1"]
["144511158","CC1(C)CCC(CC(O)=NC2(C(=N)O)CC2)CC1"]
["176020366","C=C(F)C(=O)Nc1ccc(-c2nn3c(C(=C)OCC)c[nH]c(=N)c3c2-c2ccc(C(=O)O)c(OC)c2)c(C)c1"]
["196467489","Cn1cncc1C(=O)N1CCCCOc2cccc(c2)[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]2N=C(O)C1"]
["113794638","OC(=NCC(C1CC1)C1CC1)C1CNc2ccccc2C1"]
["32006383","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\\C/C=C\\C/C=C\\CCCCC"]
["MCULE-8089951189","N#Cc1cc(-c2c(F)cccc2CC(O)=Nc2cnns2)ccc1F"]
["199578220","CCOC(=O)c1ccc(-n2cc(C#N)c(N)c2C(=O)OC)cc1C"]
["48971378","CC(N)C(c1ccncc1)N1CCC(N2CCOCC2)C1"]
["MCULE-1905994948","O=[N+]([O-])c1cccc(-c2cc(C(O)=NOC3CCCCO3)c(F)cc2F)c1"]
["MCULE-9213105321","O=C1c2ccc(C(O)=Nc3nc4ccccc4s3)cc2C(=O)N1c1ccccc1Cl"]
["29133875","CCC1CC(OCc2ccc(OC)cc2)CC1c1nnc2cnc3c(n12)CCN3S(=O)(=O)c1ccc(C)cc1"]
["61234008","Cn1ccc(-c2nc3c(s2)C(O)CC(C)(C)C3)n1"]
["175536923","C[Si](C)(C)c1ncc(OC(=N)O)cc1F"]
["142271694","CCc1oc(C(=O)Nc2cccc(C(=N)O)c2)cc1C"]
["159953174","OC1=NCC(C2CCCCN2C(O)=NCC(c2ccccc2)N2CCCC2)C1"]
["18051857","CSCc1nc2ccccc2n1CC(=O)N1CCc2sccc2[C@H]1c1cccs1"]
["90831932","OC(CNC1CCCc2c1[nH]c1ccccc21)c1ccccc1"]
["31291581","CCCCC1CNC=C(C(=O)OCC)c2[nH]c3ccccc3c21"]
["106841604","COC(=O)[C@H](NC[C@H](C)O)c1ccc(F)cc1"]
["107198569","CCc1ccc(OC/C(=C\\C(=O)O)c2cccc(C)c2)cc1"]
["MCULE-9364742474","Cn1cccc1-c1ccc2nc(N=C(O)Cc3cccc(F)c3F)sc2c1"]
["77314023","OC1=NC(c2cccnc2)NC2CCN(Cc3cccc(Br)n3)CC12"]
["17884172","CCC[C@](C)(N=C(O)CN=C(O)NC1CC1)C(=O)OC"]
["93727170","CC(N)C(C)C(O)=Nc1cnccn1"]
["85541472","Fc1c(-c2cnc(CCCl)o2)cccc1C(F)(F)F"]
["42609328","O=C(NCc1ccccc1-n1cccn1)c1ccc(COc2ccccc2)cc1"]
["175166975","FC1CC(OC(F)(F)C2C(F)CC(C3C(F)CC(C4CC[CH-]CO4)CC3F)CC2F)CC(F)C1OC(F)C(F)(F)F.[Dy]"]
["MCULE-8747847007","CCOc1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(c3cc(N=C(C)O)ccc3C)C2=O)cc1"]
["82630150","O=C(O)CC(O)(CC(=O)Oc1ccc(Cl)c(CC(CN2CCC3(CC2)OCc2ccccc23)C(=O)N2CCCC2CO)c1)C(=O)O"]
["165914556","COC(=O)c1cc(CN(C)CC(O)=NC2(C#N)CCCCC2)oc1C"]
["168210960","CCN(C/C(O)=C(\\C#N)c1nc2ccccc2n1C)c1ccccc1"]
["159772633","CC1(C)CN(C(=O)c2cncc(F)c2)CCO1"]
["170638175","COc1cc(Cl)c(C)c(N)c1C"]
["165314742","CN(C)C[C@@H]1C[C@@H](CO)CN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C1"]
["155713511","CC[C@@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3"]
["174660409","CCCCCCCCCCCCN[C@H](C(=N)O)C(C)C"]
["137847132","OC(CCCc1nc(C2CC2)no1)=Nc1ncccc1O"]
["116683064","CN=C(NCC(=O)N1CCCc2ccccc21)NCc1ccc(S(C)(=O)=O)c(C)c1.I"]
["65996130","COC(=O)CC1(CN)CCOC(C(C)C)C1"]
["131496940","N#Cc1cccnc1NCCOC(=O)c1ccc(Cl)c(Cl)c1"]
["90443260","COc1ccc(N2CCN(C(C)C(O)=[NH+]c3ccc4c(c3)=NC(=O)N=4)CC2)cc1"]
["148467827","Cc1ccc(N=C(O)N2CCC(C(=O)O)C2)cc1OCC1CCOCC1"]
["13492712","CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)c2cc(F)ccc2OC)cc1"]
["52129129","Oc1ccccc1Nc1c(O)cccc1O"]
["135373716","CC(NC(CC(=N)O)C1CCOCC1)C(=O)Nc1ccc(CC#N)cc1"]
["102578127","CC[C@H](C)N=C(O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O"]
["104452832","OC(/C=C\\c1cccs1)=N[C@@H]1CCCC[C@@H]1N=C(O)/C=C/c1cccs1"]
["176950804","COc1cc(CC2CCN(Cc3cc4c(cc3F)OCCO4)C2)cc(C)n1"]
["MCULE-7812639633","COC(CNC=C(C#N)C(O)=Nc1ccc(N)c(Cl)c1)OC"]
["33528911","CCC(C)C1N=C(O)C(C)(N=C(O)C(C)N=C(O)c2c(Cl)ccn2O)OC(=O)C2COC(=O)CN=C(O)/C=C/C(O)(CCl)C(C)Oc3ccc(cc3)C(N=C1O)C(=O)N(C)C(Cc1ccccc1)C(O)=NC(C)(O)C(O)=N2"]
["67072197","C1CCC(NCCN2CC3CCC2C3)C1"]
["MCULE-8789578589","Cc1cnccc1-n1cc(Cl)c(C2CCC2)n1"]
["46367560","CC(N=C(O)C(Cc1c[nH]c2ccccc12)N=C(O)C(N)Cc1ccc(O)cc1)C(O)=NC(Cc1ccc(O)cc1)C(=O)O"]
["161449365","COc1ccc(-n2nc(C)c3nnc(Nc4ccc(PO)cc4)nc32)cc1"]
["113698476","CCNC(C#N)(CC)CCCSc1nccc(C)n1"]
["32697775","CSC(=S)Oc1ccc(-c2ccc(OC(C)=O)cc2)cc1"]
["16836991","CN(C)S(=O)(=O)c1ccc(CN2C(=O)[C@@](C)(Cc3ccc4c(c3)OCO4)N=C2O)o1"]
["171451849","OC1=Nc2ccccc2O/C1=C\\c1ncc(Br)s1"]
["151890601","CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=NC1"]
["1632890","Cc1cccc2nnc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)n12"]
["27640722","CCCCCCC1CSc2c(oc3ccccc23)C(O)=N1"]
["133013371","CCn1nccc1C=CC(O)=Nc1cccc(CN2CCCCC2=O)c1"]
["146340499","CN(C)CCOc1cccc(N=C(O)C(CN)c2ccccc2)c1"]
["103094794","O=C(/C=C\\c1ccc(Cl)cc1)N=c1nc2nccc(-c3ccccc3)n2[nH]1"]
["64541261","Cc1c(N=C(O)CN2CCC(C(O)=NC(C)C(O)=Nc3ccc(Cl)c(C(O)=NCC(C)C)c3)CC2)cccc1C(=O)N1CCCC1"]
["128210208","CC1CCN(C(O)=NCc2ccccc2OC(F)F)C1C"]
["60905467","CCON=C(O)C(C)(C)CCl"]
["32034558","CN(C)C1CCN(/C=C2/c3ccccc3N(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)CCC2(F)F)CC1.Cl"]
["122076902","Cc1c(CN=C(O)N2CCC(N=C(O)Nc3ccc(F)cc3)C2)cnn1C"]
["135997513","CCOC1CC(N(C)C(O)=NC(C)CS(C)=O)C12CCC2"]
["183196865","Cc1ccc(-c2ccc(=N)[nH]c2)c2nc3ccccc3cc12"]
["43105060","COc1cc(C(=O)Nc2ccc(Sc3nccn3C)cc2)ccc1C"]
["122606010","CC(C)(C)OCc1cc(CNCc2c3ccccc3cc3ccccc23)no1"]
["154529531","Cc1ccc(CC(O)=N/N=C\\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1"]
["24900296","CC(Br)C(O)c1ccc(F)cc1F"]
["MCULE-3425350930","COc1ccc(-c2cnc3ccccc3c2)cc1N=C(O)Cc1c(C)cc(C)cc1C"]
["191872552","CC(C)(C)OCC1NCCN=C1O.O=C(O)CC(O)(CC(=O)O)C(=O)O"]
["154662542","Cc1ccncc1-c1cnc2c(c1)/C(=C1\\C=c3c(-c4cc(F)cc(CNS(C)(=O)=O)c4)cccc3=N1)NN2"]
["149975598","CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)SC)c(C3CCCN(Sc4c(Cl)nc5sccn45)C3)cc12"]
["173966011","CC(C)(C)C1CCc2c(sc3c2c(=O)n(C2CCCC2)c2nncn32)C1"]
["28363438","COC(=O)C(O)Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(F)cc2)cc1"]
["MCULE-3525826335","C=CCOC(=O)c1sc(N=C(O)c2ccc(Cl)nc2)nc1C"]
["185925621","CCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC)CC3"]
["98974305","COC(C(=N)O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ncn1"]
["MCULE-3732508508","Cc1ccncc1-c1cccc(N=C(O)c2cccc(N(C)C)c2)c1"]
["133636677","COCCN(CCO)C(=O)Nc1ccc(Oc2ccccc2)cc1"]
["163813968","OC(=N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccccc1C(F)(F)F"]
["125761258","N#Cc1cccc(CS(=O)(=O)N2CC=C(c3ccccc3F)CC2)c1"]
["108798463","C[C@H](N=C(O)COc1ccc(N=C(O)c2ccco2)cc1)c1cccs1"]
["63287489","COC(=O)C(CC(C)C)NCC(O)=Nc1nccs1"]
["146211972","Cc1ccc(N=C(O)c2nnn(C3CCNCC3)c2C)cc1F"]
["MCULE-9606672641","COc1cc(-c2ccc(NC(=O)c3cnc(C)nc3)c(C#N)c2)cc(OC)c1OC"]
["29913924","Cc1ccc(-c2sc(C)nc2C(=O)N2CCCC[C@H]2Cc2cn3ccccc3n2)cc1"]
["157628755","Cc1ccc(C(=O)N2CCC(C)(O)CC2)c(O)c1C"]
["162269206","OC1=NCNC2CCOC12"]
["MCULE-8035820773","COc1ccc(-c2ccc(C)o2)cc1CC(O)=Nc1cccnc1"]
["198594688","CSc1c(Oc2cccc(-c3ncc(C(O)c4ccccc4)[nH]3)c2)ccc2[nH]ccc12"]
["146069982","Cc1cc(CSc2ncccc2C(=O)NC2CC3CCC(C2)N3)no1"]
["70694519","O=C(Cn1ccc(=O)cc1)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1"]
["21143861","Cn1c(=O)c2ccnn2c2ccc(C(O)=[NH+]CCCN3CCOCC3)cc21"]
["145619581","C=C(C)CNC1CCN(Cc2ccncc2)CC1"]
["MCULE-2179662710","CN1CCCC(C(=O)N=c2[nH]n(C)cc2-c2ccc3ccccc3c2)C1"]
["52493240","Cc1ccc(-c2c(C(=O)NN=Cc3cccc(OCc4ccc(F)cc4)c3)nnn2-c2nonc2N)cc1"]
["116089916","CN(CCc1ccncc1)c1ccnc(C(=O)NC2CCCC2)c1"]
["MCULE-4016889871","CC(C)C(=O)Nc1ccc(NC(=O)COc2cccc3c2ccn3C)cc1"]
["192174975","C=C(CCC(=O)N(O)CCCCCNC(=O)c1ccc(OP(C)(=O)O)cc1)NCCCCCN(O)C(=O)CCC(O)=NCN(O)C(C)=O"]
["164304831","OC1[O+]=NSC1c1ccc(C(F)(F)F)cc1"]
["57567471","CCCCC(N=c1cc[nH]c(C(=O)OC)c1)C(=O)O"]
["11672295","CCc1cccc(N=C(O)CSc2nnc(C3CC3)n2C2CC2)c1"]
["8403916","N#C[C@@H](Nc1ccc(Br)cc1)C1=C[C@H](Cc2ccccc2)c2ccccc21"]
["1718845","Cc1cc2c(cc(C(O)=NCc3ccccc3)n2Cc2ccccc2)o1"]
["87214306","COc1ccc(C(=O)O)cc1CN(C)Cc1cc(Br)cs1"]
["51037042","CC(O)=Nc1ccc(NCc2ccccc2C)cc1"]
["59250706","COC(=O)c1ccccc1N=C(O)N=C(O)c1c(C)cc(Cl)nc1Cl"]
["123602209","CCOc1cc(Cl)ccc1CNC(C)c1ccc(C#N)cc1"]
["170049868","CCCCCCCCCCCC(=O)OC1=CC(O)=C(OC(F)(F)F)CC1"]
["33813951","CC(C)(C)OC[C@@H](/C=C1\\CCC[C@H]1C(=O)OCc1ccccc1)N=C(O)OC(C)(C)C"]
["43323431","Nc1ccccc1N=C(O)CCCCC(O)=NCc1cccc(-c2ccc([C@@H]3O[C@H](Cn4cnc5ccccc54)C[C@H](c4ccc(CO)cc4)O3)cc2)c1"]
["169875984","CC(C)(C)c1coc2c3c(ccc12)CCNC3"]
["9630330","Cc1cnc(C(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cn1"]
["142822164","CCc1ncc2c(n1)CN(C(O)=Nc1ccc(Cl)c([N+](=O)[O-])c1)CC2"]
["179717152","ICCOC1CCCNC1"]
["MCULE-1678020672","COc1ccc(-c2cnc(N=C(O)c3oc(C)nc3C)cn2)cc1F"]
["153802940","COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(/N=C\\c3c(O)ccc4ccccc34)c2)cc(C(=O)OC)c1"]
["107169913","NC[C@@H](CCc1ccccc1Cl)c1cccc(F)c1"]
["59211361","C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1cn(C)cn1"]
["32959997","C[C@@H]1CCC2[C@@H](C)[C@H](OC(=O)CCC(=O)OC(C#N)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CCC1[C@@]23OO4"]
["91314621","CC(=O)c1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O"]
["120325054","O=[N+]([O-])c1cccc(COCCC2CCC2)c1Br"]
["195128579","O=C1C(=O)N(C(=O)c2ccc(Br)cc2)C2=C(Cl)C=CCC12"]
["109044461","C=CCn1c(S)nnc1Cc1csc(N=C(O)CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)n1"]
["27472454","O=C1N=C(O)CCC1N1Cc2cc(CN=C(O)NC3=CC(C(F)(F)F)CC=C3Cl)ccc2C1=O"]
["187695477","c1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6ccc7oc8ccccc8c7c6c5c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1"]
["63651127","Cc1cc(=O)n2nc(N3CCC(C(=O)N4CC(C)CC(C)C4)CC3)sc2n1"]
["24535327","COc1ccccc1C(=O)N1CCCC1c1cccs1"]
["112077073","Cc1nc(C)c(C(=O)N2CCC(OCCCN)CC2)s1"]
["16208178","CCCc1noc(CS(=O)(=O)C[C@@H](O)COc2ccc(C#N)cc2)n1"]
["171090244","COc1ccc2cc(CN(C)c3cc(NCc4c(C)cc5c(N)nccc5c4C)ncn3)ccc2c1"]
["166600374","C=N/C=C(\\N=CC)c1ccc(C(=O)Cl)cc1"]
["10050398","CCOc1ccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)cc1"]
["187679966","O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)CC(C1=CC3c4nc5ccccc5n4-c4ccccc4C3C=C1)C=C2"]
["111766622","COCCOCCCOC(CI)c1ccccc1OC"]
["134930089","N#Cc1cccc(COc2cccc(N=C(O)C3OCCc4ccccc43)c2)c1"]
["153106628","CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(O)=NCCC#N"]
["172557427","CCOC(=O)C[Si]C(C)(C)C"]
["MCULE-5199346353","Cc1[nH]c2cc(C(=O)N3CCC4(CCN(Cc5ccc(Cl)cn5)C4)CC3)ccc2c1C"]
["MCULE-3703555332","CCOc1ccc(C(=O)Nc2cc(C)ccc2-c2cc(F)cc(OC)c2)cc1"]
["99202861","COS(=O)(=O)O[C@@H]1[C@H](O)[C@@H](OC2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C(O)O[C@@H]1C"]
["179453375","CC(C)(C)c1cc2c3cc4c(cc3n3c5cc6ccccc6cc5c(c1)c23)C=CCC4"]
["191568382","O=C(Cl)c1ccc(-c2ccccc2)nc1.Oc1cc(O)cc(Cl)c1"]
["98047396","CCc1cnc(CN)cc1CC"]
["90794591","CC(=CC(=O)C(F)(F)F)OCCCC1CCC(=O)O1"]
["122501002","CC1CCC(C(C)C)C(N=C(O)c2cnc3c(c2)nnn3C)C1"]
["11047019","Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(N4CCCC4)n3-c3ccc(C)cc3)o2)cc1"]
["18577914","C=CCCO[C@H](C)C(O)=N[C@H]1CCC[C@H](C(F)(F)F)C1"]
["132999837","CCOc1cc(C(O)=NCC(C)CN2CCCC2)ccc1C"]
["14514879","COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCCOC[C@H]1CCOC1"]
["MCULE-5609692763","CCc1cccc(-c2cc(O)n3nc(C4CCCCC4)c(C#N)c3n2)c1"]
["MCULE-1981115402","CCCCc1ccsc1CCC(=N)O"]
["104523088","N#CCC(O)=N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O"]
["181903283","[N-]=[N+]=Nc1ccc(C2CCC(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1"]
["151682040","C/C=C(\\C)C(=O)O[C@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@@H](OC(=O)/C(C)=C/C)C3=CC(=O)OC3)[C@@H]12"]
["MCULE-2700005555","CC(C)Cc1cnn(C(C)C(F)F)c1"]
["73941212","COC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C4N=C(O)N=C4O)ccc23)c(F)c1"]
["183992545","CS(=O)(=O)c1cc(ON=[N+]=[N-])cc(-c2ccc3c(c2)OCO3)c1"]
["143322454","Cc1nc(-c2ccccc2)sc1C(C)N=C(O)NC(C)(C)C"]
["157542289","C[C@H](C(=O)O)N(C)C(=O)CCCOc1ccccc1F"]
["106047006","OC(=NCc1csc2ccccc12)NC[C@@H]1COc2ccccc2O1"]
["137273152","Cc1noc(C)c1C(C)CN=C(O)N1CCCC1Cn1ccnc1C"]
["MCULE-1533533093","CC(C)c1ccnc(-n2nc(C3CCCCC3)c(C(=O)O)c2N)c1"]
["188902237","CCCCCC/C=C\\CCSSCCCC(=O)OC[C@H](CCN(C)C)OC(=O)CCCSSCC/C=C\\CCCCCC"]
["19036757","Cc1ccc(C(C)C)c(OC[C@H](O)CN2CC[NH+](CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1"]
["MCULE-4769237801","CCOc1ccc(C(=O)NC(C)(C)C(O)=NCCOc2cc(C)cc(C)c2)cc1"]
["90585986","CCCCCC1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC3(C=C12)SCCS3"]
["195024672","CC(=O)OC[C@@H]1O[C@H]2SC3=C(O[C@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C(=O)c1ccccc1C3=O"]
["MCULE-3552948679","CCOc1ccc(-n2nc(C(C)(C)C)c(N)c2C(F)F)cc1"]
["62585594","CCCNCc1cccnc1N(CCC)C(C)C"]
["131498482","COCCCOCCN(C)C(=O)c1cn(-c2ccccc2Cl)nn1"]
["2286672","CC(C)(C)N=C(O)[C@H](c1cc([N+](=O)[O-])ccc1Cl)N(C(=O)c1ccccc1O)c1cccc(Cl)c1"]
["171397185","C=C1/C(=C/C=C2CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O"]
["186966320","N#C/C(=C\\I)c1ccc2c(c1)OCO2"]
["3814124","CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(C)nc2ccccc12"]
["28409383","Cc1[nH]c(C=C2C(O)=Nc3ccccc32)c(C)c1C(O)=NCC(O)CN1CCS(O)(O)CC1"]
["159385852","COc1ccccc1-c1ccc(-c2cc(C(O)=N[C@H](Cc3ccccc3)C(=O)O)c(C)o2)cc1"]
["19157220","Cc1ccc(F)c(S(=O)(=O)N(C)C2CCN(c3cc(C)nc(C)n3)CC2)c1"]
["111108138","CC1(C)CN(S(=O)(=O)c2cnn(CCCl)c2)CC(C)(C)O1"]
["121643658","CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc(C)c1"]
["146670878","CC1(C)CN(C(=O)c2cccc(OCC(=O)O)c2)c2cccc(Cl)c21"]
["MCULE-7015933889","COc1ccccc1C1CSc2nnc(CCCOc3ccc(C)cc3)n2N1C(=O)c1ccc(C)cc1"]
["MCULE-7120989875","COc1cnccc1C(=O)Nc1c(C)cccc1-c1ccc2c(cnn2C)c1"]
["34423636","O=C1CCC2(C(F)(F)F)Nc3ccc([N+](=O)[O-])cc3N12"]
["66074626","CCNC(c1ccc(C)c(C)c1)C1CCCCCC1"]
["70623491","C=C(C)C#Cc1cc(CO)ccc1OCOC"]
["MCULE-5110426717","CCCCCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccccc2OC)C1=O"]
["186342129","FC(F)(F)c1ccccc1-c1cnc(C2CCCN2Cc2nnc3n2CCCCC3)[nH]1"]
["184935517","Cc1c(N=c2[nH]ccn3c(-c4ccc(OC(F)F)cc4)cnc23)cccc1C(=N)O"]
["106524658","CC[C@H](C)[C@H](C)N(C(=O)N=c1[nH]nc(C)s1)C1CC1"]
["33160765","C[C@H]1CC(O)C2=CC[C@@H]3CC[C@@]21C3"]
["MCULE-6968875386","CCCOC1CCCN(C(=O)Cc2cccc(F)c2-c2ccco2)C1"]
["165894727","NC(=O)c1ccc(NCC(O)=NC2CCOc3ccccc32)cc1"]
["57820478","CCN(CC)CCN=C(O)c1csc(CN)n1"]
["48591094","Cc1noc(-c2ccc(C3CCNCCO3)cc2)n1.Cl"]
["60567201","Cc1oc(C)c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1C"]
["124018991","CCc1cccc(N=C(O)C(C)N2CCCN(Cc3noc(C)n3)CC2)c1"]
["190053214","Cc1cccc(C(=N)O)c1.O=C1CCOc2cc(OCc3ccncc3)ccc21"]
["MCULE-5257645910","COc1ccccc1-c1ccc(C(O)=NN=Cc2ccc[nH]2)c(C)n1"]
["145580345","Nc1nc(CBr)c(C(F)F)cc1Cl"]
["119768025","COc1ccc(N=C(O)CN(Cc2ccccc2F)C(C)=O)c(OC)c1"]
["MCULE-9900959816","COc1ccc(=NC(=O)c2c(OC)cccc2-c2cccc(OC)n2)[nH]n1"]
["68003103","Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3ccccc3)CC2)cc1C"]
["135084015","CN(Cc1ccccc1F)C(O)=NN=C(O)CNC(=O)c1ccco1"]
["MCULE-3645996745","C#Cc1cncc(-n2nc(C3CCCC3)c(I)c2Cl)c1"]
["172378946","COc1nc(C)ncc1-n1nc(OC[C@@H](F)Cn2cc(Cl)c3cnc(Cl)nc32)c([N+](=O)[O-])c1C"]
["MCULE-6514604700","Cc1ccc(N=C(O)c2cccc(NC(O)=NCCC3=CCCCC3)c2)c(Br)c1"]
["66562511","COCC1CN(C(=O)C(F)(F)F)C[CH-]O1.[U]"]
["189036189","c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3c(-c4ccccc4)cccc3-c3ccccc3)n2)cc1"]
["80688178","COC(=O)c1ccc(NC(=O)CCn2c(=O)c(N3CC(C)CC(C)C3)nc3ccccc32)cc1"]
["114365000","CCCCN(C(=O)C(CN)CC(C)(C)C)c1ccccc1"]
["109545262","C[C@H](N=C(O)CSCc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2"]
["32723058","O=C(CO)C1(c2cccc(C(F)(F)F)c2)CC1"]
["103740194","COc1cccc(O[C@H](CCCl)c2ccc(C)c(C)c2)c1"]
["90380192","COc1cc(C(O)=NC(C)C(O)=NCc2cccc(Cl)c2)cc(OC)c1OC"]
["123854921","COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)NCc1ccccc1F"]
["27361402","CCCN=C(O)NCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C"]
["24001933","COc1ccc(C(C)N(C)c2ccc([N+](=O)[O-])cn2)cc1"]
["MCULE-8992011021","CC(C)n1ncc(CC(=O)O)c1OCc1ccccc1"]
["MCULE-7306159452","Cc1ncc(-c2cccc(OC(F)(F)F)c2)cc1N=C(O)C1CCCc2ccccc21"]
["MCULE-4339670941","CC(C)(C)c1c(C2CCC2)nn(C2CCCOC2)c1N"]
["29757485","Cn1cnc(S(=O)(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)n(C)c23)c1"]
["2973447","Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc23)cc1"]
["43377820","CCCOc1ccccc1/C=C(\\C#N)C(O)=Nc1nc(-c2ccc(C)c(C)c2)cs1"]
["172408010","CCOC(=O)CCCC[N+]1=C(C=C2C(=O)C(C=C3N(CCCCC(=O)O)c4ccccc4C3(C)C)=C2O)C(C)(C)c2ccccc21"]
["52886729","C#CCCO/N=C\\C(=C=NOCC#C)NOCC#CC"]
["140688882","O=S(=O)(CC1CCCCO1)Nc1cc(F)c(F)cc1Cl"]
["164248146","CC1(C)ON=C(C(=O)NC(CN2CCCC2)C(O)c2ccc(OC3CC3)c(Cl)c2)c2ccc(-c3ccc(F)cc3)cc21"]
["5196548","C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)c2ccccc2)c1"]
["7149524","Cc1ccccc1OCc1nc(C#N)c(NCc2ccccc2Cl)o1"]
["86168410","Cc1cc(C)c(OCc2nc(C)cc(NN)n2)c(C)c1"]
["85289284","CN=C(O)c1cccc(NCc2ccc(O)cn2)c1"]
["163296673","CC1=c2c(C)c(C(=O)O)sc2=NC(=O)C1"]
["51601461","OC(CN=c1[nH]c2ccccc2s1)=N/N=C\\c1cnn(-c2ccccc2)c1"]
["139264912","Cc1nn(C)c(Cl)c1COC(=O)C(Cc1ccc(F)cc1)n1nnnc1C"]
["122347029","CCSC(C)c1noc(CN(C)Cc2nc3ccccc3n2C)n1"]
["146476899","CC(O)=Nc1ccc(F)c(C(=O)N2CC(CN)CC2C)c1"]
["28543727","COC(=O)c1cc(N2CCCCS2(=O)=O)c2cc[nH]c2c1"]
["193137233","CCCC(CC(=O)[C@@H]1[C@H]2CCC(C)(C)[C@H]2CN1C(=O)[C@@H](NC(O)=N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C(C)(C)C)C(=O)C(=O)CC1CC1"]
["83733914","C.COC(=O)CC1CCN(Cc2ccc(OC)cc2)CC1"]
["182115747","COc1c(C(=O)O)cc(C)c(S)c1OC"]
["52382319","Cn1cc(CN2CCC(C(=O)O)C2)c2ccccc21"]
["63307149","CN(C)C(CNC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1ccco1"]
["12490402","OC(=NC[C@H]1CCC[C@@H](CN=C(O)NCc2ccco2)C1)NCc1ccco1"]
["49591601","CC(C)(C)OC(=O)[C@](C)(Sc1nnc(S)s1)C(C)(C)C"]
["25121347","C(=Nn1c2ccccc2c2ccccc21)c1cc2c(C=Nn3c4ccccc4c4ccccc43)cccc2o1"]
["20055158","CN(C)[C@@H](C[NH+]=C(O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1"]
["55362935","CC[C@@H]1[C@H](CO)ON(Cc2cccc(CN(CCN(C)C)CCC(C)(C)C)c2)[C@@H]1C(O)=N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C"]
["125245185","CCN=C(O)CCCC(O)=NC(C)c1ccc(Cl)cc1"]
["70137664","CC12CCCC(=CC=C3CC(O)CC(O)C3)C1CCC2C1(CC#CC(O)(C(F)(F)F)C(F)(F)F)CC1"]
["65772043","CN(Cc1ccco1)S(=O)(=O)c1ccc(OCCO)cc1"]
["17709238","COCCCN[C@@H](C(=O)O)c1c[nH]c2ccc(N=C(O)C(C)C)cc12"]
["53043854","CCCCC(C1CC2C=CC1C2)N(C)C"]
["94984157","CCC1CCSC(=NCC(C)N(C)C)N1"]
["17294309","CC(=O)C1=C(C)[C@H](C(=O)[C@H](C)Sc2n[nH]c(=NCCc3cccs3)s2)N=C1C"]
["167350451","CCCCCC/C=C\\C=C\\C(O)CC"]
["171013775","CCCCc1nc2cc(C(=O)N3CCSCC3)ccc2n1Cc1ccc(C(=O)OC)cc1"]
["169981594","COC(=O)C1CCC(C=O)(N=C(O)OC(C)(C)C)CC1"]
["90074974","CN1CCNC(c2cn(C)c3cc(Br)ccc23)C1"]
["55282370","Cc1cc(NC(=O)C(N=C(O)C2CCN(CC(O)=Nc3ccc(Cl)c(C(=O)N4CCOCC4)c3)CC2)C(C)C)ccc1NC(=O)c1cccc(F)c1"]
["124358516","COc1ccc(C(O)=Nc2cn(C)cc(Br)c2=O)c(O)c1"]
["98933589","O=C1C(C(O)=NC2(C(=O)O)CCCCC2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]
["183233577","COC=CCCc1ccc(C(=O)O)c(C(C)(C)C)c1"]
["57272074","CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C.O=P(O)(O)O"]
["173778930","O=C1CN(c2cnn(PI)c(=O)c2Cl)CCCN1Cc1ccccc1OC(F)(F)F"]
["176565891","Cc1cccc(Nc2nc[nH+]c3cc(F)c(NO)cc23)c1F"]
["128194854","Cc1cc(NC(=O)CON=Cc2ccc(Cl)cc2)n(C)n1"]
["158415448","N=C(O)CS(=O)(=O)N=C(O)[C@@H]1CCCC(F)(F)C1"]
["58458940","CC(C)Cn1c(SCC(O)=NC(C)c2ccco2)nc2sc3c(c2c1=O)CCC(C)C3"]
["43469650","CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1"]
["146393590","CN(CCC(O)=Nc1cc(Cl)ccc1Cl)CC(=O)N1CCNCC1.Cl"]
["MCULE-3056897237","Cc1ncc(C(O)=Nc2cnc(C)c(-c3ccoc3)c2)cn1"]
["174282164","C[N+]#CC(/C=C(\\Cc1ccc(C)cc1)N=C(O)Cc1ccc(Cl)c(C(F)(F)F)c1)C(C)(C)C"]
["165502481","CCC(C)CN(C)c1ncccc1-c1nc(C)no1"]
["126201801","CC(C)CCOC(C)C(=O)N(C)C1CCNC1.Cl"]
["84160665","CC(C)COCC(CN)P(=O)(O)c1ccccc1"]
["56867427","N#Cc1ccccc1CS(=O)(=O)Nc1ccc(Br)cn1"]
["189171061","COC1CCC(C)=C1C(C)C"]
["118008039","CCN=C(NCCc1ccc(N=C(C)O)cc1)N1CCC(C(=O)OC)CC1"]
["156004887","C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1"]
["MCULE-8634121345","CC(C)(C)c1nn(Cc2ccc(O)cc2F)c(I)c1C(C)(C)C"]
["MCULE-7849679251","COc1ccc(C(C)=O)cc1-c1ccc(C(O)=Nc2cnccn2)cc1F"]
["MCULE-2641181047","CN1CCC(CN=C(O)CSc2ccc(-c3c(F)cc(F)cc3F)cc2)CC1"]
["51203574","Cc1ccc(C)c(CN[C@@H](C)c2ccccc2)c1"]
["151188779","CNC[C@@H]1CCCN1C(=O)CCCOc1ccccc1F"]
["184575330","[CH2-]N(C)C1CCC(=N)CC1.[U]"]
["MCULE-1327671735","COc1ccc(C=CC(O)=Nc2cccc3c(OC(=O)OCc4ccccc4)cccc23)cc1OC"]
["193775063","[H-].c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1"]
["14737680","C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)c(C)c1"]
["MCULE-3095474985","Fc1cccc(CCCN2CCN(c3cc(N4CCN(c5cccc(Cl)c5)CC4)nc(Cc4ccccc4)n3)CC2)c1"]
["150280196","CCC(C)c1ccc(-c2c(C)ccc[n+]2C)c(C)c1"]
["93237952","O[C@@H]1CN[C@H](c2nc(C3COc4ccccc4O3)no2)C1"]
["55325052","CCCCCCNc1ccc(N=C(O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O"]
["51134139","CC(C)Oc1ccnc(F)c1NC(=O)O"]
["MCULE-3444440573","CC(C)Oc1ccccc1-c1cc(F)cc(N=C(O)c2ccc(=O)n(C)c2)c1"]
["74354820","N[C@H]1CC[C@H](N=c2nc3c(ncn3C3CCCC3)c(NCCNCc3ccc(OC(F)(F)F)cc3)[nH]2)CC1"]
["94574827","NCCn1cncc1-c1cccc2c1NCCC2"]
["MCULE-2901856565","CCc1noc(C)c1C(O)=Nc1c(F)cc(-c2cncnc2)cc1F"]
["100667336","CC1(C)N=C(c2ccc(-c3ccc4cccnc4c3)cc2)N(CC2CN(C(=O)C3CC3)C2)C1=O"]
["29088494","Cc1ccc(C)c(N=C(O)CC(CCC(=O)O)c2noc(C3CC(CC(C)C)C3)c2C2CC2)c1"]
["MCULE-1734552155","CCOc1ccc(F)c(-c2cnc(C(=O)Nc3cc(F)ccc3C)cc2C)c1"]
["32778964","CC(=O)Oc1ccc(NC(=O)c2cc(N=C(O)CCC3CCCCC3)ccc2C)cc1"]
["108768349","CSCCN(C)[C@@H](C)c1cccc(Cl)c1"]
["148929047","Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)n1"]
["186490762","CNC(=O)c1ccc2c(c1)CCN(C(O)=NCC13CCN(CC1)CC3)[C@H]2c1ccc(F)cc1"]
["101203938","CN(C)C(=O)OC1=CC[C@H]2[C@@H]3CCc4cc(OC(=O)N(C)C)ccc4[C@H]3CC[C@H]12"]
["139156806","COc1ncc(C)cc1N=C(O)c1cc(C2CC2)nc2onc(C)c12"]
["48235608","C=CC(O)=NC(N=C(O)C=C)OC(=O)O"]
["114275070","CCNCc1cnc(OC2CC3CCC2(C)C3(C)C)cn1"]
["113465939","C=CCn1ccnc1NC(C)CC1CC1"]
["125673294","Cc1ccsc1C(O)=NNC(O)=NC1CCCCN=C1O"]
["MCULE-9694945746","CCOc1ccc(-c2cnc(C(=O)N3CCN(CCCOC)CC3)cc2C)c(F)c1F"]
["140173214","CC1(CNC(O)=NCC2CCN(CCc3ccccc3)C2)CCCO1"]
["MCULE-7255333453","CCC(CC)C(O)=Nc1cccc2c(OC(O)=Nc3ccccc3OC(C)C)cccc12"]
["MCULE-7508509858","C=CCN=C(O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)C1c1ccc(C)cc1"]
["129750641","CCOC(O)=NC1CCCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1"]
["MCULE-2403947181","COc1ccccc1NC1=C(c2ccc(OC(C)C)cc2)C(=O)N(c2ccccc2Oc2ccccc2)C1=O"]
["MCULE-9937316149","Cc1cc(CC(O)=NC2CCS(=O)(=O)CC2)ccc1-c1sccc1C"]
["112799739","Nc1ccc2nc[nH]c(=NCCOCC(F)F)c2c1"]
["56702393","Nc1cccc2c(SOOO)cccc12"]
["121913091","O=C(Nc1cccc(O)c1F)c1cc2c(s1)CCOC2"]
["138592002","CCC1CN(C(=O)C(C)c2cccs2)CCS1"]
["47659032","C=CC(C)Oc1c(Cl)cc(Cl)cc1CN"]
["29747560","Cc1cccc(SC2=C(O)CC(CCc3ccccc3)(c3ccccc3)OC2=O)c1C(C)(C)C"]
["192735951","C#CCN1C(=C)C2(CC2)Oc2cc(F)c(N3C(=O)C4CC4C3=O)cc21"]
["165679174","Cc1cc(C)c(Oc2nn3c(=O)ccnc3s2)cc1Br"]
["MCULE-9204142982","COc1ccc(C(=O)Nc2ncc(-c3cc(OC)c(OC)c(OC)c3)cn2)cc1"]
["85950197","CN=c1cc(CC(C)C)nc(Cc2ccccc2OC)[nH]1"]
["8129977","COCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccccc2Cl)c1=O"]
["MCULE-5565906191","O=C(Nc1ccc(N2CCOCC2=O)cc1)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1OC(F)(F)F"]
["87852865","Cc1ccc2c(c1)oc(=O)n2CCCCC(=O)O"]
["MCULE-8749275204","CSCCC(N=C(O)C1CC1c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1C"]
["94211645","COc1cc(C)c(C(O)Cc2ccc(C)cc2)cc1C"]
["179774282","OC(c1ccc(CC23CCOCCC2C3)s1)N1CCc2c([nH]c3c2=C=C=CC=3)C1c1ccc2c(c1)OCO2"]
["75597002","CN(Cc1ccccc1)NCCCCCC(=O)ONCc1ccccc1"]
["MCULE-4058280888","Cc1ccc2nc(N3CCC(C(O)=Nc4cc(Cl)ccc4C)CC3)nc(O)c2c1"]
["MCULE-4797114226","Cc1cc(-c2cccc(C(=N)O)c2)cnc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1"]
["63683141","Cc1cc(CNS(=O)(=O)c2ccc(CCO)s2)sc1C"]
["MCULE-9490223036","CC(=O)Oc1ccc(CC(N=C(O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)C(O)=NCCCc2ccc(NS(C)(=O)=O)cc2)cc1"]
["118456070","CCN=C(NCCc1csc(C(C)C)n1)NCc1ncnn1C.I"]
["33797228","COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1"]
["62036896","CCOC(=O)c1ccc(C(C)N=c2[nH]c(C)nc(=N)[nH]2)cc1"]
["160670027","CCCC(NC1CCCc2ccc(O)cc21)C(=O)N1CCc2sccc2C1"]
["88584714","O=[N+]([O-])c1ccc(F)cc1CNc1c(Cl)cc(F)cc1Cl"]
["178999247","CC1(Br)C=CC2=C(C1)N=CNC2(C)C"]
["124881367","CN(C)C(=O)c1ccc(C(=O)Oc2ccc(-n3cnnn3)cc2)cc1"]
["198964874","Cc1ccc(C)n1-c1ccc(Cl)c(C(O)=NCCC(=O)O)c1"]
["195515888","CCc1cc(CN=C(O)OC(C)(C)C)cc(-c2c(C(=O)OC)c3cc4nc(cc5[nH]c(c(C)c5-c5cc(CC)cc(CC)c5)c(OC)c5nc(cc2[nH]3)C(C)(C)C5)C(C)(C)C4)c1"]
["117814269","COc1ccc(NC(=N)NCCCCN2CCCC2)cc1"]
["MCULE-3769528307","COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)COc1ccc(C)c(C)c1"]
["157148373","CC(C)[C@H](N=C(O)N1CCO[C@@H](C)[C@@H]1C)c1nc(C2CC2)no1"]
["171196171","C=CCCC1CCC(C2CCC(c3ccc4c(F)c(OC)ccc4c3)CC2)CC1"]
["MCULE-1777085296","CC(=O)N1CCN(C(=O)c2ncc(-c3ccc4cnn(C)c4c3)cn2)CC1"]
["174789158","CS/C=C(/C=N\\N=C(C)O)N=CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1"]
["MCULE-5982325208","N#Cc1cc(F)cc(C(=O)N2CC(=O)C2)c1"]
["64483662","C1CC(NCCC2CC2)CC(C2CC2)C1"]
["187476057","CCCNC/C=C/C1=C(CC(C)C(N)CC(C)(CC)CC)CS12(C)=CC(C)=CC2CC"]
["MCULE-4076381000","COc1ccc(-c2cccc(F)c2OC)cc1N=C(O)c1ccsc1C"]
["137921281","OCCOc1ccccc1CN=C(O)COc1ccccc1Cc1ccccc1"]
["107290108","Cc1[nH]c2c(F)cccc2c1CC(=O)N1CC[C@]2(CC(O)=NC2=O)C1"]
["176207078","C/C=C\\C(C)=C/c1cc(C2=CC=CCC2)ccc1C"]
["85392683","CCCn1ncnc1C=C1CCC(N)C1"]
["136154769","CN1CCC(C(O)=NCC2CCCOC2c2ccccc2)CC1"]
["103307608","Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1"]
["160701993","COc1c(Cl)cc(N=C(O)N2CCC(O)C23CCCC3)cc1Cl"]
["165294400","N#Cc1nc(CCl)cc(C(F)(F)F)c1C(F)F"]
["153605663","CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)C2(O)CCCC2)CC1"]
["159771137","CC(C)(C)c1nnc(CNC(O)=NCC2CCCOC2C(C)(C)C)s1"]
["153992975","Cc1cc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3O)c(C)c2)ccc1/N=N\\c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O"]
["44689029","c1ccc2c(c1)sc1ccc(-n3cccn3)cc12"]
["180626255","C=C(C)C(=N)NC1(C(O)(C(F)(F)F)C(F)(F)F)CC2CCC1C2"]
["17179974","Cc1ccc(-c2c(C)sc3nc(C)nc(S[C@H](C)C(O)=Nc4cc(C=O)ccc4O)c23)cc1"]
["MCULE-7352769912","Cc1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1"]
["32839434","O=S(=O)(N=c1nc[nH]s1)c1cc(F)c(OC[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)cc1F"]
["22861735","Cc1ccc(C)c(OCc2nnc(SCC(O)=NC3CCCCC3C)n2C)c1"]
["91574953","CCCCCCCCCCCC(I)S(=O)(=O)c1ccccc1"]
["146369945","COc1cc(N)c(Cl)cc1C(=O)N1CCN(CC2CCOCC2)CC1"]
["176142511","C=C/C=C(/C=C)C(=C)C.CN1c2ccc3ccccc3c2C2C=CC=C(c3ccc4c(c3)C(C)(C)c3ccccc3-4)C21"]
["1250314","OC(=NCc1cccnc1-n1cncn1)N1CCO[C@@H](c2ccccc2F)C1"]
["101602819","Cc1c(C(=O)C(C)C)c2ccccc2n1CC(F)F"]
["MCULE-5406788922","O=C(O)c1c(C(F)F)nn2c(Cl)cc(C3CCOCC3)nc12"]
["129738825","Cn1ncnc1CNC(=O)c1ccc2nc(Cl)ccc2c1"]
["161221409","C1=C(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2)N=C1c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1"]
["83946661","C=CC1SC1c1ccc(Cl)cc1"]
["MCULE-1199937239","CCN(CC)C(=O)c1ccc(-c2cn(C)[nH]c2=NC(=O)c2ccccc2F)cc1"]
["160320493","CCCCOCCCOOC(=O)OOCCCOCCCC"]
["184709584","CC1=CC(Cn2cc[n+](C)c2C)=CCC1"]
["25274635","N=C(O)N(O)CCOCc1cc2sccc2s1"]
["MCULE-4214925610","CN1CCC(NC(=O)c2ncccc2-c2cc(F)ccc2F)CC1"]
["30239509","CCN(CC)CNCc1cnc2n1C(c1cccc([N+](=O)[O-])c1)C(C(=O)OC)=C(C)N2.Cl"]
["MCULE-4719776011","COc1ccc(N(C)C(=O)c2ccc(-c3ccco3)c(C)c2)cc1"]
["10513544","C[C@H](N=C(O)c1cccc(Cl)c1Cl)C(O)=NCCCNc1ccccc1"]
["74780589","CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1C=O"]
["109976065","CCn1c(SCC(O)=NC(O)=N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)nnc1-c1ccc(OC)cc1"]
["48357834","CCOC(=O)[C@@H](C)N=C(O)c1ccc2c(c1)nc(C)n2C"]
["145904640","Cc1cccc(CC(CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)C(=O)O)c1"]
["194256199","C=CCCOc1cc(=O)n(C)cc1-c1cc([N+](=O)[O-])ccc1[O-].O.[Na+]"]
["144592092","C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(N=C(O)c3ccccc3F)c2)n1"]
["23243187","CC(Br)c1ccc(F)c(Cl)c1"]
["179844603","COc1ccc(/C=C/C2=IC3=C(C=C2)OCCN3C(O)=Nc2ccccc2)cc1"]
["132914518","COC(=O)c1cc(CN(C)C(=O)c2ccccc2OC(F)(F)F)oc1C"]
["133856177","OC(=NCc1ccc(OC2CCCC2)nc1)NCC1CCCCC1O"]
["43960892","CCCN1CC2=C(C(O)=NC2c2cc(S(=O)(=O)N3CCN(CCCO)CC3)ccc2OCC)N(C)C1Cl"]
["90208987","CCC(C(=O)O)c1ccnn1CC1CC1"]
["18844768","CCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N(CC)CC)cc2O)cc1"]
["105911410","NC[C@@H](CC(O)=NC1CCCC1)c1ccccc1Cl"]
["172502236","C[C@@H]1C=C(C=O)CCN1"]
["9553234","Cc1cc(C(O)=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1C1CC1"]
["MCULE-2997197309","N#Cc1ccc(N=C(O)c2cccc(-c3cc(F)cc(F)c3)c2F)c(F)c1"]
["140773868","Cc1nc(O)ccc1C(O)=NCc1nnc(C2CC2)n1C1CC1"]
["MCULE-7892265520","O=C(c1cc(F)c(F)c(F)c1)N1CCc2c(cccc2-c2ccccc2F)C1"]
["9002218","CCc1ncncc1C(O)=NCCNc1ccc([N+](=O)[O-])cc1"]
["131478260","CCc1onc(C)c1C(O)=N[C@H]1CCCOc2ccccc21"]
["198841251","Cc1cccc(CN2CC(CN=C(O)Cc3ccc4cnccc4c3)C2)c1"]
["115124789","Cc1ccc(Sc2ncccc2CO)c(C)c1"]
["190966084","C[C@@H](C(O)=N[C@H](C(=O)N1CCC[C@H]1C(=O)C[C@H](C(O)=NCCCCCCCC(=O)c1cccc2sc(N3CCOCC3)nc12)C(c1ccccc1)c1ccccc1)C1CCCCC1)N(C)C(=O)OC(C)(C)C"]
["MCULE-1811956324","CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)C1c1cccs1"]
["MCULE-3109671891","CCC(CC)C(O)=NCCCN1CCN(C(=O)c2csc(C)c2)CC1"]
["MCULE-4069341375","CC(=O)c1ccccc1-c1cc(C(O)=Nc2cc(F)cc(F)c2)cc([N+](=O)[O-])c1"]
["182833517","Cc1cc(=Nc2nn(C(C)C)c(=O)c3cc(N=[N+]=[N-])ccc23)[nH][nH]1"]
["MCULE-5324824251","Cc1ccc(F)cc1-c1cccc(C(=O)N2CCN(CCC#N)CC2)c1F"]
["69855913","CC(C)CC(CN=[N+]=[N-])N=C(O)C(Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1"]
["56101840","COCSc1cnc2n1C1=C(C)C=CCC13C=CC=C(C)[N+]23C(=O)OC"]
["MCULE-4129312218","COc1ncccc1COC(=O)c1cc(C)on1"]
["118003050","CN=C(NCc1ccc(OC(C)C)cc1)NCc1cccc(OC)c1.I"]
["7115779","O=S(=O)(c1ccc(=NC[C@@H]2CC=CCC2)[nH]c1)N1CCOCC1"]
["24171616","CC(C)C(c1nnnn1C1CCCCC1)N1CCCCC1"]
["169893692","SSC1CCC1"]
["19598247","O=C1CCCN1CC(O)=[NH+]CCc1cn2ccccc2n1"]
["42559139","COCCOCCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1"]
["194672040","Cc1ccc(CNC2=C\\CC/C(CCc3ccc(C4CCCS4(=O)=O)cc3)=C/C/C=C\\2C(F)(F)F)c(I(C)S(C)(=O)=O)n1"]
["78388291","COCCOCCN=C(O)CC[C@H](N=C(O)CCCCCCCCCCCCCCC(=O)O)C(=O)O"]
["175148359","Br.C#C[Si](C)(C)C(C)(C)C"]
["MCULE-3107467361","CC(=O)CCC(=O)N(C)c1ccc(-c2ccc3ccccc3c2)cn1"]
["150296988","Cc1ccc(C(O)=NC(=NCC(C)(C)O)N=c2[nH][nH]c3cc(F)ccc23)cc1"]
["164752374","CC(C(O)=NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1"]
["162175656","O=C1CCOc2c(OCCO)cccc21"]
["89013170","O=C1CNc2cc3c(cc2N1CC1CCCNC1)OCCO3"]
["MCULE-2068268311","N#Cc1nc(-c2ccc3[nH]ccc3c2)cnc1N=C(O)Cc1ccsc1"]
["162998026","OC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O"]
["114663002","COc1cc(SC(C)C(C)O)c(F)cc1N"]
["20814782","C[C@H](C([O-])=NCCN1CCOCC1)n1c(S)nnc1-c1cccs1"]
["141288378","O=C(Nc1cnn(CC2CC2)c1)C(=O)Nc1cc(F)ccc1Cl"]
["MCULE-9648973568","CCN(CCO)c1cc(N2CCN(c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)nc(C)n1"]
["123628554","COc1cc(C)c(CN(C)C(O)=Nc2cc(C)ccc2C)cc1OC"]
["CSSS20447608018","Cc1c(C(O)=NC2CCN(C(=O)C3(O)CCc4ccccc4C3)CC2C)nnn1C"]
["171720346","CCOC(=O)N(C(=O)CN)S(=O)(=O)N(Cc1ccc2ccc(C(=N)N)cc2c1)c1ccc(OC2CCN(C(C)=N)CC2)cc1.Cl.Cl"]
["52919552","O=C(Cl)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F"]
["110502903","CCOc1cc([C@@H]2C(C(O)=Nc3ccccc3)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)cc(Br)c1OCc1ccccc1"]
["25459024","Cc1sc(-c2ccccc2)cc1C=O"]
["MCULE-3100291507","Cc1ccccc1CCC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1"]
["89801786","Cc1ccc(C)c(OCC(=O)N2CC(C)CC(C)C2)c1"]
["MCULE-8527186590","CCOc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3cccc(N=C(C)O)c3)C2=O)cc1"]
["136607270","Cc1cc(=O)c(C(=O)N(CC(F)(F)F)C2CC2)nn1-c1cccc(Cl)c1"]
["12524371","COC(=O)c1cn(-c2nc3ccc([N+](=O)[O-])cc3s2)nn1"]
["103113976","OC(/C=C\\c1ccc2c(c1)OCO2)=NCCN1CCOCC1"]
["67263922","CC12CCC(C(O)=Nc3ccccc3Cl)(c3nc4cc([N+](=O)[O-])ccc4nc31)C2(C)C"]
["109108353","CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(C)cc4)c3)C(=O)[C@H]12"]
["162995447","CCc1csc(N=C(O)CC(C)N)n1"]
["124785138","COc1ccc(C(O)CN=C(O)Nc2ccc(COC3CCCC3)cc2)cc1"]
["154380941","O=S(=O)(c1ccccc1)N(CC(O)=N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(Br)c1"]
["MCULE-3977310976","CCOc1cccc(F)c1-c1ccc(F)c(CCC(O)=Nc2cc(C#N)ccn2)c1"]
["155716996","COc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1"]
["82700131","CCCCOCCN=C1NC2C(OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)S1"]
["124457654","COc1ccnc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1"]
["77963436","COc1c(C23CCN(C(=O)OCc4ccccc4)C4(CCC(=O)N4c4c(OCc5ccccc5)cccc42)C3=O)cc2c(c1OC)N(C)C1C=CC3(CC(=O)OCC[Si](C)(C)C)CCCN4CCC21C43"]
["128656756","CC(CNS(=O)(=O)c1ccccc1Br)Oc1ccccc1F"]
["124008330","N=c1nc(NN=C(O)C(C2CC2)C2CC2)cc(Cl)[nH]1"]
["162675632","Cc1cnc(I)c(C#N)c1"]
["66852325","CC(C)(CN=C(O)CCN1C(=O)COc2ccccc21)c1cccc(C(F)(F)F)c1"]
["MCULE-6539705106","CN(C)c1cccc(Nc2cc(N3CCN(C)C(c4ccccc4)C3)nc(-c3ccccc3Cl)n2)c1"]
["138888718","O=C(N=c1cc[nH]cc1F)N1CCCC1Cc1ccccc1Cl"]
["MCULE-3190220543","COc1ccc(-c2cc(N=C(O)c3cc(OC)c(C)cn3)c3nccn3c2)cc1"]
["166252075","CCCc1nnc2n1N1C(=CSC1c1ccc(O)c([N+](=O)[O-])c1)S2"]
["27668108","COc1ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)c2c1OCCCCO2"]
["MCULE-8763558083","COc1cccc(C(O)=Nc2ncc(-c3cnn(C(F)F)c3)cc2F)c1F"]
["193776274","CCN(CC)C(=O)c1ccc([C@H]2CCNCC[C@@H]2COc2ccc3c(c2)C(=O)CC3)cc1"]
["101399179","CC(C)(C)OC(O)=NCC(COC(=O)c1ccccc1)OC(=O)c1cc(O)c(O)c(O)c1"]
["137325797","COC1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1"]
["113708153","CCOCCc1nc(Cl)cc(COC)n1"]
["MCULE-3351748231","COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2OC)C1c1ccc(C(C)(C)C)cc1"]
["10620170","CC(O)=Nc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1"]
["103344919","COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(O)=NCCN1CCOCC1"]
["146077705","Cl.NCC1CCCCN1C(=O)C1CC12CCc1ccccc12"]
["180002048","CCN1C(=O)N(Cc2ccc(O)cc2)C(=O)[C@@]12CCC1(O)[C@@H](C)N(CC3CC3)CC[C@]1(c1cc(O)ccc1C)C2"]
["184402995","CN=C(O)N/C(C)=C\\C([NH-])Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]"]
["MCULE-8290323917","CCCCS(=O)(=O)N(CC(O)=Nc1nccs1)C(CC)C(O)=Nc1ccccc1CC"]
["140509015","Cc1ccc2oc(N3CCN(C(=O)CN4CCCS4(=O)=O)CC3)nc2c1"]
["MCULE-7884559758","CCOc1ccc(C(=O)Nc2cnc(OC)c(-c3ccc(F)cc3F)c2)cc1"]
["47077372","COc1ccc(OC(=O)N2CCN(c3ccnc(-n4ccnc4)n3)CC2CC(O)=NCCc2cccc3c2COCO3)cc1"]
["6335606","COc1ccc(CSCC(O)=NCc2cc(OC)c(OC)cc2OC)cc1F"]
["119152110","CC(C)N(C)S(=O)(=O)NCC1(O)CCCc2ccccc21"]
["130246697","CN(Cc1cc(Cl)cn1C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C"]
["103729186","COc1cccc(O[C@H](CN)c2ccc(C)cc2)c1OC"]
["43391258","CN(CC(=O)OCCCc1cccnc1)S(=O)(=O)c1ccc(Br)cc1"]
["172329558","O=C1CCCCCCC(=O)C2CCCN2C(=O)OOCCC(=O)N2CCCC12"]
["5737183","COc1ccc2c(c1)[C@H](C)N(C(=O)c1ccco1)CC2"]
["2412502","O=C(OCC(O)=NCc1cccs1)c1ccccc1OCc1ccc(Cl)cc1"]
["44458732","CCC/C=N\\Nc1nnc(Cc2ccccc2)c([O-])n1"]
["181919487","CO/C=C(/C(=O)OC)c1ccccc1C(=Nc1cccc(C(F)(F)F)c1)NOC(C)=O"]
["73959713","COc1ccc(C(N)c2nc(C)nc3ccc(N=[N+]=[N-])cc23)cc1"]
["100974032","CSc1ccc(Cl)c(N=C(O)OCc2ccccc2)c1"]
["160270508","CC1CSCCN(C(=O)c2cc(Cl)c[nH]2)C1"]
["MCULE-6637285923","CCN(CC)Cc1cc(=O)c(OCCOc2cccc(C)c2)cn1Cc1ccc(Cl)cc1"]
["116271357","CCC(CC)N=C(O)Nc1ccc([N+](=O)[O-])cc1"]
["74796554","COCOC(C)(C)C/C=C/[C@@H](C)C1CCC2/C(=C/C=C3CC(O)C(OCCO)[C@H](O)C3)CCCC21C"]
["105133054","CCCOc1ccc(C(=O)[C@H](C)NC[C@@H]2CCCO2)cc1"]
["MCULE-5726819440","Cc1cc(F)cc(-c2ccccc2C(=N)O)c1N=C(O)c1c(C)cccc1C"]
["78432069","C[C@H]1C(S[C@@H]2CN[C@H](C(O)=Nc3cccc(C(O)=NCCCCCN=C(O)COCCCCc4cccnc4)c3)C2)=C(C(=O)O)N(C=O)C1[C@H](C)[C@@H](C)O"]
["87341640","CCN(CC)CCn1cc(CO)c2ccc(Cl)cc21"]
["127539866","Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC2(CCCCC2)C1"]
["74220521","CS(=O)(=O)OCC(c1ccc2ccccc2n1)C1CCNCC1"]
["87364174","N=C(O)N1CCOc2c(C(=O)O)cccc21"]
["114660435","CCC(C)CS(=O)(=O)CC(=O)c1ccc2c(c1)CCC2"]
["78799375","Cn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccc(Cl)c3)c21"]
["62117457","CC(C)=C(Cl)C#CC(Cl)=C1CCCCC1"]
["20703671","CCN1C(=O)c2n[nH]c(-c3ccccc3[O-])c2[C@@H]1c1cc(Br)c(O)c(OC)c1"]
["166224179","[O-][N+]([O-])=C1CCC(O)=NC1C1CCCCC1"]
["74906698","CC(C)(Cn1c(O)nc2ncc(Br)nc21)N1CCOCC1"]
["31913445","CC(C)(C)OC(O)=N[C@H]1COCCC/C=C\\[C@@H]2C[C@@]2(C(O)=NS(=O)(=O)C2CC2)N=C(O)[C@@H]2C[C@@H](OC(=O)N3CCc4ccccc43)CN2C1=O"]
["171816280","Cc1cc(C)c(C=c2[nH]/c(=C3/C=c4cc(F)ccc4=N3)cc2OC(C)C)[nH]1"]
["194847393","CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)N1CCC(C(=O)OC)CC1"]
["MCULE-6515896695","Cc1ncccc1C(=O)Nc1ccc(-c2ccc(CC(=O)O)cc2)c(C#N)c1"]
["151863205","COC(=O)C1=C(C)C(C(=O)C[C@@]2(O)C(O)=Nc3ccccc32)=N[C@@H]1C"]
["66711549","CSCCC(N=C(O)C(C)N)C(O)=NCC(O)=NC(CO)C(=O)O"]
["149082436","Br.CC(=O)OC1CC[N+](C)(C)C1.[O-]c1ccccc1C1CCCC1"]
["68601701","O=C(OCC(Cl)(Cl)Cl)c1ccccc1Cl"]
["142434105","COc1ccccc1C(C)(C)NC(O)=NCCCc1c[nH]nc1C"]
["134556884","CCCc1ccc(NC(=O)Cn2c(C)c(C)sc2=O)cc1"]
["123977640","CN(CC(O)C(F)(F)F)C(O)=NCCc1ccccc1"]
["120179680","COCCOCCOCc1ccc(F)c(CN)c1"]
["69438377","CCN1CCN(C(=O)CN2C(=O)C(=Cc3ccc(C)cc3)Sc3ccccc32)CC1"]
["158933665","Cc1ccc(C)c(S(=O)(=O)N=C(O)[C@]2(C)CCC(O)=NC2)c1"]
["160416275","CC1CC(c2nc(Cc3cncs3)no2)CCC1=O"]
["76755919","C=CCN1C(=O)C(=Cc2ccc(OCC)c(OC)c2)C(C(=O)OC)=C1C"]
["9656832","CCc1nc2sc([C@@H](c3ccccc3C)N(C)CCO)c(O)n2n1"]
["80705244","CC1C[NH+](C2CCCC2)CC(C)O1"]
["138948048","CCOc1ccc2c(c1)C(N=C(O)c1cn(Cc3cccc(F)c3)nn1)CCO2"]
["21138085","Cc1ccc(F)c(O[C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2cccc(F)c2)c1"]
["MCULE-1577522778","Cc1nc(N=C(O)c2ccc(C#N)cc2F)ncc1-c1ccccc1"]
["117006145","CN(CCCc1nc(=NCCOc2cccc(F)c2)[nH]cc1C(=O)O)c1ccccc1"]
["MCULE-5965734155","O=C(C=Cc1ccccc1C(F)(F)F)C(=O)N1CCNCC1"]
["74072229","COc1ccc(/C=C2\\c3cccc(O)c3C(=O)C3=C(O)[C@]4(O)C(=O)C(C(=N)O)=C(O)C[C@@H]4[C@@H](O)[C@@H]32)cc1"]
["112449542","CC(Nc1cc(Br)ccc1N(C)C)c1csc(Cl)c1"]
["76680160","Cc1cc(NC(=CC(=O)C(C)(C)C)C(=O)O)ccc1Br"]
["109152073","CCOC(=O)c1ccc(C(=O)OCC)c(N=C(O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1"]
["149289262","COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCC(C)C)cc2)C1c1cccc(C(F)(F)F)c1"]
["12409897","Cc1nn(CCC(=O)[O-])c2nc([O-])cc(C(=O)O)c12"]
["63962494","CC(C)NC(C#N)(COCC1CCCC1)c1ccccc1"]
["190210882","Cc1nc(SCC(=O)[O-])sc1C.[Na+]"]
["52616104","CCC(CC)N(C)CCCN"]
["27838812","COc1ccc2nc(N(Cc3cn(C(C)=O)c4ccccc34)C3CCCC(N)C3)c(C)cc2c1"]
["148047826","C[C@@H]1CNCCN1C(=O)C1CCCNC1"]
["131638171","O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc(CN2C(=O)CCC2=O)cc1"]
["MCULE-5084440963","Cc1ccc(OCC(O)=Nc2c(O)cccc2[N+](=O)[O-])cc1C"]
["29960186","C[C@@H]1C[C@H]2C(O)=N[C@]3(C(O)=NS(=O)(=O)C4CC4)C4C(CCCCC[C@H](NC(=O)c5ccc(Cl)cc5)C(=O)N2C1)C[C@H]43"]
["159027398","Clc1ccc(Br)c([C@@H](c2cccs2)N2CCOCC2)c1"]
["51769930","CCN=C(O)c1ccc(N)c(N2CCC(COC)CC2)c1"]
["MCULE-5262897523","COc1cccc(OC)c1-c1ccc(C(=O)Nc2ccccc2F)nc1"]
["172707146","COc1c(C(=O)Oc2ccc(Cl)cc2)cccc1C(=O)Oc1ccc(Cl)cc1"]
["155231057","CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cncc(Cl)c4[nH]3)cs2)cc1"]
["26712386","CC(C)Oc1ccc2n[c]n(C)c2c1"]
["57796883","Cc1cc(/C=N\\N=C(O)COc2ccc(Cl)cc2)c(C)n1C[C@@H]1CCCO1"]
["31073514","COC(=O)OC1=C(C)NC(C)=C(C(=O)OCCN)C1c1ccccc1C(F)(F)F"]
["30175713","CC(=O)N1CCN(c2ncnc3ccc(-c4ccc(F)cc4)cc23)CC1"]
["103379093","CCCCNC(=O)c1ccc(OCCN)cc1"]
["9552425","Cn1c(=O)c2ccccc2n2c(SCC(O)=Nc3ccccc3C(F)(F)F)nnc12"]
["MCULE-9577183559","O=C(CCc1ccccc1-c1ccccc1OC(F)(F)F)Nc1ccc(F)cc1"]
["180973372","CCCCCC=C(O)C(=N)O"]
["160814709","CCCN(CC1CCCCO1)C(O)=Nc1ncc(OC)cn1"]
["154639158","CC(C)(CCN=C(O)COc1cc(OCC(O)=NCC(C)(C)OCCC(C)(C)C(=O)O)cc(-c2cc(C(=O)OCc3ccccc3)cc(-c3cc(OCC(O)=NCCOCCC(C)(C)C(=O)O)cc(OCC(O)=NCC(C)(C)OCCC(C)(C)C(=O)O)c3)c2)c1)OCCC(=O)O"]
["50570139","C=CCC1(N)c2ccccc2CCC1N(CCC)CCC"]
["188156662","CC(NN=C(S)/N=C1\\SCC(=O)N1c1cc(Cl)ccc1C(F)(F)F)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1"]
["177208386","C#C[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1"]
["158683389","C[C@@H]1C[C@H](C)N(C(=O)CN2C(=O)[C@@](C)(C3CC3)N=C2O)C1"]
["MCULE-7525961043","CCOC(=O)CCC(=O)OCc1ccccc1B(O)O"]
["126104708","CC(O)c1ccc(CN=C(O)N(C)C(C)c2cccc(O)c2)cc1"]
["MCULE-3746150022","CCc1nn(-c2ccccc2)c2c1C(c1ccc(F)cc1F)C(C(O)=NCCN(CC)CC)=C(N)O2"]
["50484170","C=CC(O)(C=O)c1ccccc1"]
["109375674","CCCCCNCCN(C)C[C@H]1CCCOC1"]
["14959545","O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1SC1[NH+]=c2ccccc2=[NH+]1"]
["123952521","Cc1cccc(N=C(O)N(C)Cc2ncc(Cl)n2C)n1"]
["9049216","CCOc1nc2ccccc2nc1N1CCC[C@H](C(O)=Nc2ccccc2CC)C1"]
["MCULE-6071745482","CSCCC(N=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(O)=NCCc1cc2cc(C(C)C)ccc2nc1O"]
["MCULE-3472856879","O=C1CC(C(O)=NCc2cncc(-c3cccc(F)c3)c2)CN1c1ccccc1"]
["28124927","CCC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(O)=N1"]
["43791962","FC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl"]
["176465640","C1COCC(C2=NCCO2)C1"]
["141616071","OC(=Nc1nnc2n1CCCC2)c1cccnc1O"]
["24473980","O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1"]
["47008721","CCOc1cc(C=C(C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(C)cc1"]
["MCULE-5167096295","Cc1ccc(N2C(=O)c3ccc(C(O)=Nc4ccccc4C(F)(F)F)cc3C2=O)c(C)c1"]
["188034541","CC(F)COC(C)F"]
["103383936","C[C@H](CN)N(C)c1ccc(F)cc1"]
["64562532","COc1ccc(C(=O)OCCc2ccccc2)c(OC)c1"]
["31709617","O=C(O)C1=C(C=CSc2cc(=O)c3ccccc3s2)CS[C@H]2C(N=C(O)Cn3cnnn3)C(=O)N12"]
["MCULE-9600603198","COCc1nc2sc(=Cc3c(C)nc4scc(C)n34)c(=O)n2n1"]
["94682620","CSCCCS(=O)c1ccc(C(F)(F)F)cc1N"]
["96443577","CCC(C)(C)N=C(O)Cn1ncn(C)c1=O"]
["29846189","O=S(=O)(Nc1cc(Br)ccc1C(O)=NCc1ccc(F)cc1F)C1=CC=CN2SNC=C12"]
["26526651","CCOC(=O)C(Cc1cccc([N+](=O)[O-])c1)(N=C(C)O)C(=O)OCC"]
["50222192","CCCn1cncc1C(CN)Nc1ccc(Cl)cc1"]
["79089726","CCCCCCCCCCCCCC[C@@H](OCc1ccc(OC)cc1)[C@@H](OCc1ccc(OC)cc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N=C(O)CCCCCCCCCCN(CCCCC)CCCCC"]
["48000250","COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc(S(=O)(=O)c8ccc(OC)cc8)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3S(=O)(=O)O)cc2)(C(F)(F)F)C(F)(F)F)cc1"]
["87409546","CC(C)CN(c1ccc([C@H](C)N)cn1)C1CCCC1"]
["6450569","Cc1ccc2c(=O)cc(C(=O)NCc3cnn(C)c3)oc2c1C"]
["MCULE-3199420947","COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1N=C(O)C1CCCCN1C"]
["151108127","COC(OC)[C@@H](C)C#N"]
["MCULE-1420973782","COc1ccc(-c2ccc(OC)c(C(=O)N(C)c3ccccc3)c2)cc1CCC(=O)O"]
["42317086","CC1(C(=O)O)CCN(C(=O)C2(N)CC2)CC1"]
["107339128","OC(=N[C@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1C[C@@H]1c1cccnc1"]
["65713022","CCOC(=O)c1cc(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])c1"]
["51144172","CC1C=C(O)C=CO1"]
["30366821","CCCCOC(=O)[C@@H](C)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12"]
["11325933","CN(CCC[NH+]=C(O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)Cc1ccccc1"]
["MCULE-7198897965","CCOc1ccc(-c2cc(N=C(O)c3conc3C)cnc2OC)c(F)c1F"]
["25714001","CN(Cc1ccc(Cl)nc1)C(=N)S"]
["MCULE-3885581963","CCOc1cccc(-c2ccc(N(C)C(=O)c3cc(F)cc(F)c3)nc2)c1F"]
["106645314","CN(C)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2cc(Br)cn2)o1"]
["146775943","O=C(O)C1CCCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1"]
["123472992","CCOC(Cn1cc(C(=O)N2CCCCC2c2ncc[nH]2)nn1)OCC"]
["44496706","CN1/C(=C/c2ccccc2)[N-]c2ncncc21"]
["167325405","Cc1cccc(C)c1S(=O)(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2cccc(C#N)c12"]
["115753085","N#C/C(=C/Nc1ccc(N)cc1)C(O)=NCCN1CCNCC1"]
["MCULE-5804711006","N#CCCN1CCN(C(=O)CCc2ccc(F)c(-c3cnn(Cc4ccccc4)c3)c2)CC1"]
["24353850","CC(C)CC(=O)OC1CCNC1.Cl"]
["44177458","CC(=O)c1nc(C(O[Si](c2ccccc2)c2ccccc2)C(C)(C)C)cn1CCF"]
["43348721","[C-]#[N+]c1cc(Oc2ccc(OC(C)(C)C(=O)OCC)c(C)c2)cc([N+](=O)[O-])c1"]
["131382290","CCN1CCC(n2nccc2N=C(O)C(=O)NC(C)c2cccs2)CC1"]
["12285491","CCOCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](C)N2C1=S"]
["952182","COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3ccc(Br)c(C)c3)c(C)n2n1"]
["184378849","OC1=CC(O)C=NC=N1"]
["65286976","CCOc1cc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c([N+](=O)[O-])cc1OC"]
["MCULE-7006511499","CN(C(=O)c1ncc(-c2cccc(C(F)(F)F)c2)cc1F)C1CCN(Cc2ccccc2)C1"]
["52588469","CCn1cc(CNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c(C)n1"]
["90296881","COCCCNC(=O)C(=O)NN=Cc1ccccc1OCc1cccc(F)c1"]
["100570751","CC1CCc2c(ccc(-c3cnn(C4CCNCC4)c3)c2Oc2ccccc2F)N1C(=O)C1CC1"]
["69193403","Cn1cnc([N+](=O)[O-])c1NCc1cccc2c1OCCO2"]
["80842462","Cc1nc(COc2cccc(C=CC(=O)N(CCc3ccccc3)Cc3ccncc3)c2)cs1"]
["163607732","Cn1cc(C(=O)N2CC[C@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC[C@H]23)ccc1=O"]
["MCULE-8858907812","CN1CCC(C(=O)N(C)c2ccc(-c3cccc(F)c3)cn2)CC1"]
["150191985","CCCC=C(CCC1CCCC1)C(C)=CCC1=CCC1"]
["190633796","CCOc1ncccc1C#N.CCOc1ncccc1CC"]
["107362390","CC(C)(C)OC(=O)N1CCC[C@H](CCN=C(O)CCn2ccccc2=O)C1"]
["67338758","C=C(NN=C(O)c1cc(Br)ccc1O)c1ccco1"]
["13605026","C[C@H](CC(=O)N1CCC(C(O)=NC2CC2)CC1)N=C(O)C1CCCCC1"]
["190863531","CC1(O)C2CC3CC(C2)CC1C3.CC1(OC(=O)C(F)(F)C(F)(F)C(=O)OC2(C)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3.O=C(O)C(F)(F)C(F)(F)C(=O)O"]
["6918672","CN(C1CCN(C(=O)CCCOCCc2ccccc2)CC1)S(C)(=O)=O"]
["48149322","C=CCN=C(O)c1ccccc1N=C(O)Cn1nnc2ccccc21"]
["135508058","N#CCCN(Cc1ccco1)C(=O)c1cnc(Cc2ccccc2)s1"]
["3167082","O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1c2c(nc3ccccc13)CCC2"]
["172528568","Cc1ccc(N=C(O)c2c[nH]c(=N)[nH]2)c(Cl)c1"]
["88746838","N=c1[nH]c(-c2ccc3c(c2)CCC3)nc(=O)[nH]1"]
["3208349","CCCS(=O)(=O)[N-]c1cccc(N=C(O)Cc2ccc(-c3ccccc3)cc2)c1C"]
["174958874","CN(C)C(=O)[C@H]1CCCCN1C1CCCCC1.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O"]
["9967249","CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1"]
["MCULE-5373285016","Oc1nn(C2CCC2)cc1CCl"]
["109417693","CCc1cc(N2CCC[C@@H](C(C)=O)C2)ncn1"]
["MCULE-9665645501","Cc1ccc(Nc2nc(=NCCCN3CCCC3=O)nc(N3CC(C)OC(C)C3)[nH]2)cc1"]
["5492059","Cc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C"]
["171936884","CN1C2CCCC1CC(CN=C(O)OCc1ccccc1)C2"]
["175605437","Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1cc(C(=O)O)cc2c1nnn2C/C(F)=C/CN"]
["15637309","COC(=O)c1ccc(C)c(NC(O)=NCCCc2cccc(OC)c2)c1"]
["102661568","Cn1cc2c(n1)CCC[C@@H]2C(O)=NCCCCc1ccc(F)c(F)c1"]
["152968909","C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2)CC1"]
["3758693","Cc1ccc(C(O)=NNC(S)=NCc2ccccc2)c(O)n1"]
["349888","Cn1nnc(-c2ccc3nc(O)c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)cc3c2)n1"]
["150728947","Cc1c(Cl)ccc2c(C(=O)C(Br)c3ccc(Cl)cc3OCCOCc3ccccc3)c[nH]c12"]
["MCULE-7346260957","Cn1nc(C(F)(F)F)cc1-c1ccc2oc(N=C(O)C3CC(=O)N(Cc4ccccc4)C3)nc2c1"]
["MCULE-4207296527","CCCC(N=C(O)C(Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1"]
["57123210","OC(Cn1cncn1)(Cn1cncn1)c1ccc([18F])cc1F"]
["136900608","COCc1cccc(CC(=O)N(C)Cc2ccc(OC)cc2)c1"]
["182735280","COc1ccc(C=CC=CC(C(=O)O)c2ccccc2OC)cc1"]
["192337491","CC(Cc1ccccc1OCC(O)CN1CCC(Oc2ccc(C#N)cc2)C1)C(=O)O"]
["162725082","O=C(O)C(=O)NC1CC2CCC(C1)N2"]
["140477577","COCC1CCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)CC1"]
["176416190","CC1CC(C)(C)Nc2cc3c(cc21)C(c1ccccc1C(=O)N(C)CCCC(O)=NCCCCCCN=c1[nH]c2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1OP(=O)(O)O)=c1cc2c(cc1O3)=NC(C)(C)CC2C"]
["58488751","[C-]#[N+]c1cccnc1N(C)c1ccc(Oc2ccc(CC3COCC(=O)N3C)cc2)c(F)c1"]
["124801514","Cc1ccc(S(=O)(=O)CC(C)NC(=O)c2nccc3ccccc23)cc1"]
["18315994","CO[C@H](C)C(O)=Nc1cccc(N=C(O)c2ccc(F)cc2F)c1"]
["105645345","CCc1ccc([C@@H]2CCNC2(C)C)o1"]
["96954259","CCNc1cn(CC)c(=O)n(CC)c1=O"]
["157928625","C[C@@H]1[C@H](C)C[C@H]1NCc1cnns1"]
["109844456","Cc1cc(C)c(N=C(O)CN=C(O)CN2CCC[C@@H](C(O)=NC3CCCCC3)C2)c(C)c1"]
["MCULE-4658603774","CC(N=C(O)COc1cn(CCCn2ccnc2)c(CNc2cccc(Cl)c2)cc1=O)c1ccccc1"]
["MCULE-2646303762","Cc1nc(N2CC(O)C2)cc(N2CCOCC2(C)C)n1"]
["127443748","CC(C)C(O)=NCCN(C)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1"]
["160023733","CC(C)c1nc(C2COCCN2C(=O)CCc2nc(C(C)(C)C)no2)no1"]
["10291475","CCN(CC)C(=O)CCN=c1ccc(Cl)c(C#N)[nH]1"]
["12705444","Cc1cnc2c(c1)c(I)cn2C(=O)OC(C)(C)C"]
["MCULE-6089021895","Cc1ccc(N=C(O)Cc2cnccc2-c2csc(S)n2)cc1Cl"]
["87041777","CN(C)C(=O)c1cc(Oc2cc(F)ccc2Br)ccn1"]
["134744464","CCc1n[nH]c(=NC(O)=NCc2ccccc2N2CCOCC2)s1"]
["122904379","CC(=O)c1ccc(N=C(O)c2cccc(-c3nnc(C)o3)c2)nc1"]
["169167667","COC(=O)c1c(-c2nc3ccc4ccccc4c3s2)cccc1[N+](=O)[O-]"]
["75750563","Clc1ccc(COC(CC2C=NC=N2)c2ccc(Cl)cc2Cl)cc1.Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1"]
["76787724","COC(=O)C1(C)CC(=O)CN1C(=O)C(N=C(O)OC(C)(C)C)C(C)C"]
["44170268","COc1ccc(Cl)cc1N=C(O)CC(C)=NNC(=O)c1ccc(I)cc1"]
["MCULE-2167372704","Cc1ccccc1CN1CCN(C(=O)CCCOc2ccc(-c3cccc(F)c3C#N)cc2)CC1"]
["MCULE-1013848630","COc1cc(F)ccc1-c1cccc(N=C(O)c2cc(C)cc(C)c2)c1"]
["81626161","CC(C)(CO)CC1CCC(c2cccc(Cl)c2F)C12C(O)=Nc1cc(Cl)ccc12"]
["147520313","CN(C)c1nc(CNS(=O)(=O)N(C)C)nc(N2CCOCC2)n1"]
["78494755","C=C(N[C@H](C(=O)N1CCN(C(=O)Cc2ccc(CC(=O)N3CCN(C(=O)[C@@H](N=C(O)[C@H](C)NC)C(C)(C)C)[C@H](C(O)=N[C@@H]4CCCc5ccccc54)C3)cc2)C[C@H]1C(O)=N[C@@H]1CCCc2ccccc21)C(C)(C)C)[C@H](C)NC"]
["120205693","CN(CC1CCCNC1)C(=O)C(F)(F)C(F)(F)F"]
["146927196","CC(C(O)=NC1(C(=O)O)CCSC1)c1ccc(Br)cc1"]
["172776676","Cc1cc(S(=O)c2ccc(N)cc2C)ccc1N"]
["53354797","CCN1CCN(C(O)=NCCN2CCc3sccc3C2)CC1"]
["83174213","CC(C)c1c(-c2cncnc2)[nH]c2c(C#N)cnn2c1=O"]
["31845191","CCCCCC1CCC(C2CCC(C#N)(C3=CCC(CCC)CC3)CC2)CC1"]
["154237060","C[C@@H]1CC[C@@H]2C(O)=NC[C@H](O)CN2[C@H]1c1ccc(Br)cc1"]
["MCULE-5675227120","CCc1nc(N=C(O)CC2(N3Cc4ccccc4C3=O)CCSCC2)sc1C"]
["79212166","CCCO[SiH](CCN1CCN([Si](C)(C)C(C)(C)C)CC1)OCCC"]
["138908442","CCSc1ccc(C(O)=NCC2(C)OCCO2)cn1"]
["MCULE-7010708994","C=CCN(CC=C)Cc1cc(=O)c(OCC(O)=NCc2ccccc2Cl)cn1Cc1ccc(F)cc1"]
["113647488","Cc1cc(C(=O)N2CCC(CCCl)C2)ccn1"]
["MCULE-4851642353","CCN=C(S)Nc1cc(N=C(O)CCn2ccc3ccccc32)ccc1Cl"]
["100063347","C=CCc1ccccc1OCC#CCN=C(O)c1snnc1C"]
["52084745","CN(CCO)CCc1ccccc1[N+](=O)[O-]"]
["23129870","O=c1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)coc2c(CN3CCCCCC3)c(O)c(CN3CCCCCC3)c(O)c12"]
["63587723","CC(C)(C)[P+](C)(C(C)(C)C)C(C)(C)C.[Br-]"]
["113727613","OC(=NCc1cccnn1)c1cnccc1Cl"]
["84665371","Cc1ccc(OCC#Cc2ccccc2)c(CN)n1"]
["190237986","N=c1[nH]cc(C(=O)O)c2ccc(-c3cccc(F)c3)nc12.N=c1[nH]cc(C(O)=NC2CN(C(=O)C3CC3)C2)c2ccc(-c3cccc(F)c3)nc12.NC1CN(C(=O)C2CC2)C1"]
["158113769","C[C@H](O)[C@@H](C)N=c1nc(C2CC2)[nH]o1"]
["67679215","Cc1cc(CN(C)C2CCC(C)CC2)oc1C(=O)NN"]
["76192605","CC(C)N(Cc1cn([C@@H](CCOC=O)OC=O)nn1)Cc1cn([C@@H](CCOC=O)C(=O)O)nn1"]
["87792035","OC1=NCCNC(c2ccc(F)cc2)C1"]
["159089605","CSCC[C@@H](C(O)=NC1CC1)n1cccc1"]
["146165593","Cc1ccc(C(O)=NC(CN)C2CC2)cc1Cl.Cl"]
["103367003","N#C[C@@H](NCc1ccco1)c1ccc2c(c1)OCCO2"]
["195819653","NCC1CCN(C2=C(Cl)C=C2)C1=O"]
["193105082","Oc1cc(O)cc(-c2cccc3cc4ccccc4cc23)c1"]
["11327838","CCS(=O)(=O)c1ccc(Cl)c(C(O)=Nc2cc(C#N)ccc2SC)c1"]
["119447340","Cc1nccc(-c2cccc(NCc3ccc4ccccc4c3)c2)n1"]
["126616831","CC(N=C(O)CS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1"]
["161423478","[IH2+].[O-]Br"]
["148136830","CC(CN)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1"]
["10586062","CC[C@@H](N=C(O)Nc1ccccc1Cn1cncn1)C(C)C"]
["91848152","CCCCc1ccc(OCCNCCCOC)cc1"]
["144791289","CN1CCC(CC2NCC(C)(C)CO2)CC1"]
["53763357","c1ccc(-c2ccnc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccccc4)n3)c2)cc1"]
["3230363","CCCc1ccc([NH2+]C(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1"]
["67310299","C=CC[C@@H](Cc1ccccc1)C(=O)O[C@@H](CN=C(O)[C@H](CC=C)CC(O)=N[C@H](CO)Cc1ccccc1)c1ccccc1"]
["47811873","Cl.Cl.NC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1"]
["122411402","CC(CO)(N=C(O)Nc1ccnn1Cc1ccccn1)C1CCCCC1"]
["175066874","Cc1cc(CN2CCOCC2)c(C)cc1S"]
["117349100","O=C1C(c2cccs2)=C(N2CCCCC2)C(=O)N1Cc1cccnc1"]
["169287310","FC(F)(F)c1cccc(CNNC(S)=NCCBr)c1"]
["126715921","Cc1cccc(C(C)S(=O)(=O)CC(O)=Nc2c(C)cc(C)cc2C)c1"]
["139924476","CCCCOCCOCc1cccc(N=C(O)Cc2ccc(F)cc2F)c1"]
["162889787","CC1CC(O)CN(c2n[nH]c(=N)o2)C1"]
["113893969","CC1(C)CC1C(N)Cc1ncc[nH]1"]
["189344062","O=c1c(O)c(-c2ccccc2-c2ccc(CNc3cc(C(F)(F)F)cc4c3CCCC4)cc2)c1=O"]
["108313420","c1cc(-c2nc([C@@H]3CCOC3)no2)ccc1CN1CCCCC1"]
["173714215","C=C/C=C(\\C=C/C)c1cccc2ccccc12.CC.CC1c2ccccc2C2(c3ccccc3-c3cc(Nc4ccc(-c5ccccc5)cc4)ccc32)c2ccccc21"]
["109097327","C=CCOC(=O)C1=C(C)N=C2N=C(SCCC)NN2[C@H]1c1cc(Br)c(OCC)c(OCC)c1"]
["7069366","O=C1c2ccccc2CN1CC(O)=[NH+]C[C@H]1CCCN1CC1CCCCC1"]
["94781844","CC(O)C1CCN(C(O)=NC2CC3CCC2C3)C1"]
["151436054","CC(C)[C@H](C)/C=C\\[C@H](C)[C@@H]1CC[C@]23O[C@@]24CC(=O)C2=CC(=O)CC[C@]2(C)[C@@H]4CC[C@]13C"]
["194262541","CC1=CC(=O)CC(C)(C)C1.CCNC(=O)[O-].[N-]=C=O"]
["29559885","CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cc(CN3CC(O)C3)no2)cc1"]
["81361442","CCCCCC(C=CC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)C1CC(O)=NCc1ccc(OC)cc1OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["164287923","O=C(O)c1scnc1Nc1nc2cc(Cl)ccc2o1"]
["42410066","CCCCn1c(N)c(N(CCOC)Cc2cccc(C(=N)O)c2)c(O)nc1=O"]
["49986665","Cc1ccc(C(O)=Nc2cc(F)ccc2F)cc1N=C(O)C(C)N1CCC(C(=O)N2CCCC2C(O)=Nc2cccc(C(=O)N3CCCCC3)c2C)CC1"]
["158548211","CN=C(O)[C@@H]1CCCN(C(O)=N[C@@H]2CCO[C@@H](C)C2)C1"]
["135616659","CC(C)n1cccc1C(=O)Nc1ccccc1C(O)=NC(C)(C)C"]
["47355183","COc1ccc(C(=O)O)cc1Cn1nnc2ccccc21"]
["26304066","COc1cccc(N2CCN(CC(O)c3ccc4c(c3)OCCO4)CC2)c1"]
["139541009","CC(=O)c1cccc(NC(O)=NCC(C)Oc2cccc(C)c2)c1"]
["95712659","CSCCOc1ccc(Br)cc1C(=O)O"]
["185035202","COc1cc(-c2sc3ccccc3c2CO)ccc1CN1CCCC1"]
["185103640","CS(=O)(=O)c1ccc(Oc2cc(OC3CCN(C(=O)O)CC3)ncn2)c(F)c1"]
["176173233","CC[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)OC(C)(C)C"]
["68959721","Cc1ccc(C(C)C)c(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1"]
["198344830","N=C(O)C(CO)OC1OC2C(C(=N)O)C(O)C(O)C12O"]
["MCULE-8770104612","CSc1ccccc1-c1ccccc1CCC(=O)N1CCC(N2CCCCC2)CC1"]
["116101693","CCN(c1ccnc(C(=O)Nc2ccc(C)cc2C)c1)C1CCS(=O)(=O)C1"]
["8696027","OC(=[NH+]C[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCOC1"]
["114222362","CSC1CCCCC1N=C(O)CCc1ccccc1N"]
["98524786","CC(C(=O)O)N(Cc1ccc(-n2c(S)nnc2S)cc1)c1ccc(Cl)cc1.CC(Nc1cccc(OCNc2cccc(-n3c(S)nnc3S)c2)c1)C(=O)O"]
["MCULE-5190525380","COc1ncccc1C(=O)Nc1ncc(-c2cncc3ccccc23)cc1F"]
["7842799","Cc1ccc(OC[C@H](O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1"]
["120983978","CC(C)Oc1ccc(SC2CNC2)cc1"]
["MCULE-9350952973","CCOC(=O)c1cc(-c2cnn(CC#N)c2)cnc1C"]
["115292515","Cc1cc(F)cc(NC(C#N)c2ccc(Br)c(Br)c2)c1"]
["MCULE-3183196841","Cc1ccccc1CSc1nnc(C(C)C)n1N=Cc1ccc(OC(=O)c2ccco2)cc1"]
["55671169","C=CCOC12Oc3ccc(OC(O)=Nc4ccc(OC)cc4OC)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOCc4ccccc4)CC1N(CCC)C(=O)OC)C32"]
["161766989","O=C1N=CN=C2C1=CC(=O)c1ncncc12"]
["138290171","Cc1cnc(COC(=O)COc2ccc(F)cc2)o1"]
["15118767","O=C(Cc1ccccc1)Oc1ccccc1-c1nnc2n1CCCCC2"]
["MCULE-5921891110","COc1ncccc1-c1cc(C)c(NC(=O)c2c(C)ncnc2C)cc1F"]
["30601977","COc1ccc(COC(=O)Nc2ccc(OC)c(CC(OC(C)C)C(=O)O)c2)c(F)c1"]
["51609836","CCc1c(F)cc(F)c(NN2C=CC=C(C(N)=O)C2)c1F"]
["MCULE-5112420010","CC(C)(N)CN=C(O)C=Cc1cccc(C(F)(F)F)c1"]
["104407360","COc1cc(CNc2ncnc3sc4c(c23)CC[C@@H](C)C4)ccn1"]
["58779675","CN1C(=O)C(NC(S)=NCCc2ccccc2)N=C(c2ccccc2Cl)c2cc(Cl)ccc21"]
["50218427","Nc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1F"]
["18210868","CC(C)NS(=O)(=O)N1CCN2CC(C)(C)c3ccccc3[C@@H]2C1"]
["55932318","CN(C)S(=O)(=O)c1ccccc1CN=C(O)c1cccc(Oc2ccccc2)c1"]
["126507536","CCC1(CN=C(O)C(C)NS(=O)(=O)c2cccs2)CC1"]
["18976304","CC1CCN(c2ccc(C3=NO[C@@H](C(O)=[NH+]CC[C@H]4N=c5cc(F)ccc5=[NH+]4)N3)cc2)CC1"]
["130561441","Cc1ccc(N=C(O)C2CC2)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1"]
["6097369","COc1ccc(CC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2Cl)CC(C)C)cc1"]
["165801392","Cc1ccc(C)c(C(C)N2CCCN(CCN)CC2)c1"]
["124733868","CC(C)(NS(C)(=O)=O)C(O)=NCC1(O)CCCC1"]
["108201006","CC(=O)N1CCC(Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)CC1"]
["109600671","C[C@@H]1[C@@H](N=C(O)CN(C)CC2CCN(CCO)CC2)CCC[C@@H]1C"]
["125804496","CC1(O)CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1"]
["178004825","COc1cncc(-n2cnc(-c3cc(C(=O)N=C4CC4)ccc3C)c2)c1"]
["7739298","Cc1ccccc1N=C(O)NNC(O)=NCc1ccnc(OCC2CC2)c1"]
["181261420","CN(CCCn1c(=O)oc2cc(CC=O)ccc21)C1CCC(ON=[N+]=[N-])CC1"]
["85644402","CCCCC(CC)CNCC1(C)COC1"]
["78252762","CC/C=C/[C@@H](C)C/C=C/[C@H]1C=CC[C@@H]1CCCCCCC(O)COC(C)=O"]
["144460788","CCC(N=c1nn[nH]n1-c1ccccc1)C(O)=NCCCCC#N"]
["130003567","CCC1CN(c2ccccc2)CCN1CCO"]
["79284610","CCCC/C=C/C=C/C=C/CCCCCCCCC(=O)O"]
["90407528","COc1ccc(C(C)=[NH+]N=C(O)COc2ccc(C)c(C)c2)cc1CN1CCCC1"]
["118589933","CCN=C(NCCOc1ccc(F)c(F)c1)NCc1cc(OC)c(OC)c(OC)c1"]
["137010895","Cc1ccc(C)c(OCC(O)=NNC(O)=NC(C)c2ccc(F)cc2F)c1"]
["95848867","CCCC(C)(C)N=C1NC2(CCCC(C)C2)CS1"]
["168690498","N=C(S)n1nc(-c2cc3ccccc3o2)c2c1NCC2"]
["134736524","COc1ccc(CN=C(O)c2ccc(N3CC(C)OC(C)C3)nc2)cc1F"]
["198524770","CC1Cc2c3ccnc-3[nH]cc2C(c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO"]
["MCULE-9963981311","COc1ccc(-c2cccc(C)c2)cc1CCC(=O)N1CCCC(=O)c2ccccc21"]
["55694240","CCCC(C)(CCC(=O)O)C(=O)O"]
["46511804","COCCN(CCC#N)CCCC(=O)c1ccc(Br)cc1"]
["85418994","Nc1ccc(SC2CCOC3(CCOCC3)C2)cc1Cl"]
["178474494","CC/C=[N+](/CC)C(=O)OC(C)(C)C"]
["118543272","CCCCNC(=NC)NCc1ccc(N(C)C)cc1C"]
["58422132","Cc1c(O)cccc1C(=O)N1CCN(c2ccc(C#N)cc2)C(=O)C1"]
["200241858","Cn1cc(C(O)=NCC2CC3(C2)CN(CC(O)=NC(C)(C)C)C3)c2cc(Cl)ccc21"]
["MCULE-1077275407","Cc1ccc(C2=C(NCCc3cccs3)C(=O)N(CCc3ccccc3)C2=O)cc1"]
["2646159","O=C1CCCC(=O)C1([C@H](C[N+](=O)[O-])c1c[nH]c2ccccc12)[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12"]
["48718902","Cc1ccc(C[C@@H]2CCCN2C[C@@H](O)CO[C@H](C)c2cccc(C)c2C=CC(=O)O)cc1F"]
["25735196","N=C(N=C(O)OCc1ccccc1)Nc1ccc(C(=O)N2CCN(CCCC(=O)OCc3ccccc3)CC2)cc1"]
["197461484","OC(=NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CO1"]
["MCULE-8911788756","COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(O)=Nc3ccc4nc(CC(C)C)[nH]c4c3)C21"]
["169556635","c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6c7ccccc7ccc6c5c4)cc3)c3cccc4sc5ccccc5c34)cc2)cc1"]
["1406831","C[C@H](NCC(O)=Nc1ccccc1N1CCOCC1)c1ccc2ccccc2c1"]
["179274917","CCc1ccccc1N(C)C=C1CCC(=CN2CCc3ccccc32)C1=[N+](C)C(=O)c1ccccc1C(=N)[O-]"]
["101000820","CCOC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C=CC1c1ccccc1"]
["52204492","Cc1ccc(NCCN2CCC(C)(C)CC2)cc1"]
["89969668","CS(=O)(=O)c1ccc(C(=O)NCCc2ncc3ccccn23)cc1"]
["MCULE-1237093433","O=C(C=Cc1ccccc1OCc1c(Cl)cccc1Cl)c1cccc(Br)c1"]
["95860900","Cc1ccc(C(=O)NCC2(CCBr)CC2)o1"]
["112993535","CC1OCCC1(O)CNCc1cncn1C1CC1"]
["62583372","CCN(CC(O)=Nc1nccs1)C(=O)c1ccc(C(C)(C)C)cc1"]
["175325603","COc1ccc(-c2c(C#N)c(C(F)F)nn2-c2ccc(N=S(=O)=O)cc2)cc1F"]
["177653178","Cc1ccccc1C(C(=O)O)N(C)Cc1nc(C(F)(F)F)cs1"]
["140655521","COCCN1CCC(N=C(O)Nc2ccc3c(c2)CCC(=O)N3C)CC1"]
["MCULE-4563793090","COCCCN1CCN(C(=O)c2cc(F)c(F)c(-c3ccc(SC)cc3)c2)CC1"]
["82342625","COc1ccc(CC2C(c3ccccc3)NNC2C2CCC(O)=NN2)cc1"]
["183755340","CC1=C(Nc2cc(N(N=[N+]=[N-])Nc3cccc(C(=O)O)c3O)c(Nc3ccccc3[N+](=O)[O-])c(O)c2C(=O)O)C=CC(C#N)([N+](=O)[O-])C1"]
["159830673","OCCCCCN=C(O)OCCCc1ccc(Cl)cc1"]
["93130380","COc1cc(C#N)ccc1NCCSC"]
["182804812","[N-]=[N+]=NN1CC2CN(c3cc(-c4ccco4)cc(S)n3)CC2C1"]
["141458974","Cc1ccc(-c2nnn(CC(=O)Nc3ccc(F)cc3C#N)n2)cc1"]
["109909882","CCn1ccc(=O)nc1S[C@H](C)C(O)=Nc1ccc2nc(O)[nH]c2c1"]
["145738316","OCc1ccc(Cc2ccc(OCC(O)CN3CC3)cc2)cc1"]
["80172685","O=C(O)CCCC1c2ccccc2CC1N=C(O)c1cc2cc(F)ccc2[nH]1"]
["1879399","CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1"]
["MCULE-2519360317","Cc1cccc(C(C)C)c1N=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O"]
["MCULE-2947143601","CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1N=C(O)c1cc(C)ccc1OC"]
["MCULE-8392406407","CCC(C)C(C(O)=Nc1ccc(OC)c(Cl)c1)N(Cc1c(F)cccc1Cl)S(=O)(=O)CC"]
["169443858","CCCCCCCCCCCCCCC/C=C/C(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC"]
["49713397","CC(SCc1cc(Cl)c2c(c1)OCCCO2)C(=O)O"]
["26041875","CCOc1ccc2nc(SCc3cccc(N)n3)[nH]c2c1"]
["179927239","CCCCCCCCCCCCCCC1(C(=O)[O-])CC=CCC1(CC(C)C)C(=O)[O-]"]
["184753104","Cc1cc(C)c(CCC(C)C)c(-c2cnn(-c3[c-]c(OC4=C=c5c(c6cccc[c-]6[n+]5=c5cc(F)cc[n-]5)C=C4)ccc3)c2)c1CCC(C)C.[Pt+2]"]
["MCULE-7810662442","COc1ccc(N)cc1C1CC1CCS"]
["MCULE-8815832726","COc1ncc(-c2cc(C(=O)N(c3ncnc4ccccc34)C3CCN(C(=O)OC(C)(C)C)C3)ccc2OC)c(OC)n1"]
["MCULE-5653480322","CCC(NC(=O)c1ccco1)C(O)=NCCc1nc2ccccc2[nH]1"]
["174005495","[B]C1CCOC(=C/C)/C1=C\\C=C"]
["175124645","Cc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2c1ccn2C(=O)O"]
["120177965","OC[C@H](N=C(O)C1CC2CC2C1)c1ccccc1"]
["180936178","CCc1c([N+](=O)[O-])nc(C[C@H]2CC2C)n1C"]
["161322780","C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)ccc2N1C(=O)c1ccc(O)cc1O"]
["142392642","CN(C(=O)CN1CC(O)=NC1=O)C1CCCN(c2ccccc2)C1"]
["2803853","COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4nc5ccc(F)cc5s4)CC3)n[nH]2)c1"]
["200563223","COC(=O)c1cccc(C#CCCN=C(C)O)c1N"]
["58520739","CC(=O)c1ccc(NC(S)=NC(=NCC2CCCO2)Nc2nc(C)cc(C)n2)cc1"]
["54683985","CCC(C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)CC(C)(C)C"]
["196583260","Cc1csc(C2(CN3C(=O)c4ccccc4C3=O)C3CCN(C(=O)OC(C)(C)C)CC32)n1"]
["177229565","CC(=O)N1c2ccc(-c3cnn(C4COC4)c3)cc2N(C(O)CC(C)C)C[C@@H]1C"]
["51575395","CCCC(COc1ccc(Cl)c(Cl)c1)CS(=O)(=O)Cl"]
["193896060","COS(=O)(=O)[O-].Cn1c(=[Cl+])ccc2ccccc21"]
["176722718","CC/C1=C(/C(O)=Nc2cc(F)c(F)cn2)C(CC)OCCC(C(O)=NN2CCOC(C)C2C)N(N(C)CNC2CC2)C1=O"]
["122622112","CCCOc1ccc(C(F)(F)F)cc1N=C(O)C1CCCCO1"]
["176316507","CC(C)(C)OC(=O)CCC(C(=N)O)N1Cc2ccc(CO)c(Oc3ccccc3)c2C1=O"]
["108874049","CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2Br)C[C@@H]1C(=O)O"]
["MCULE-5732266799","COc1ncccc1C(=O)Nc1nc2cc(-c3cccc(SC)c3)ccc2o1"]
["63493742","Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C"]
["56675462","COC(=O)c1nn(C)cc1N=C(O)c1cc(SC)ccc1Cl"]
["2137659","CCN=C(O)c1cc(Cl)ccc1N=C(O)CCSC"]
["MCULE-7271616960","O=C(Cc1cccc(F)c1-c1cnn(C2CCOCC2)c1)N1CCN(c2ccccc2F)CC1"]
["68994002","Cc1noc(C)c1CNC(=O)c1cc(Br)cn1C(C)C"]
["MCULE-1945055967","CN1CCN(Cc2cccc(-c3cc(F)c(NC(=O)c4nccn4C)c(F)c3)c2)CC1"]
["106802954","N=C(O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1"]
["30039826","COc1cccc2sc(C(=O)Nc3cc(-c4cc(N=c5cc6n([nH]5)CCN(C)C6)c(O)nn4)ccc3F)cc12"]
["111869630","C=CCNC(=O)c1sc(NC2CCC(C)(C)CC2)cc1N"]
["MCULE-6666878275","CCOc1ccc(-c2ccc(N=C(O)c3ccc(C(F)(F)F)cn3)c(C#N)c2F)cc1F"]
["173065715","COc1ccc(C)cc1OCCCCCCCCCCOc1c(OC)cc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OC"]
["66681940","CC[C@@]1(C)Cc2c(c(N3CCOCC3)nc3sc4c(c23)N=CN[C@H]4NCCN2CCOCC2)CO1"]
["MCULE-1039935334","Cc1cc(C(=O)N=c2cc[nH]cc2-c2ccc(C)c(C)c2)ccn1"]
["125809737","Cc1cc(Br)c2oc(C(=O)NC(C)C(C)CO)cc2c1"]
["59101202","CC(C#Cc1ccccc1)=NC#CCC/C=C/c1ccccc1"]
["MCULE-3179249472","CCN(CC)CCN=C(O)c1cnc2ccc(-c3ccccc3C(F)(F)F)cn12"]
["174392605","C=C(C)C(=O)OCCCc1ccc(N=Nc2c(C)[nH]n(-c3ccc(C(C)(C)C)cc3)c2=O)cc1"]
["181885817","CCCCCCCNc1ccc(-c2cc(C)ccc2S(N)(=O)=O)cc1"]
["81265472","CON=C(OCc1ccc(COc2ccc(C(CC(=O)O)=NOC3CCCCC3)cc2)cc1)c1ccccc1"]
["181913074","[N-]=[N+]=NCNC1CCc2cc(Cl)ccc21"]
["6819345","N#CCCN(C(=O)CSc1nnnn1-c1ccccc1)c1ccccc1F"]
["51628504","CCN(CC)C(=O)c1cc(F)cc(C)c1F"]
["MCULE-7615996685","CC(C)Oc1ccc(C(=O)Nc2cccc3c(OC(O)=NCCc4cnc[nH]4)cccc23)cc1"]
["58906695","CC(=O)/C(=N/Nc1ccc(Cl)cc1)SCC(=O)O"]
["MCULE-9281853159","Cc1csc(CCCCN=C(O)OC(C)(C)C)c1"]
["144824018","Cn1c(Cl)cnc1Cc1ccccc1"]
["146325705","CCCN(C(=O)C1CCOc2ccccc21)C1CCNCC1.Cl"]
["160708331","Cc1cc(SC2CCCCC2)ccc1NC(=O)c1ncoc1C1CC1"]
["127122209","Cn1nccc1CN=C(O)N1CCc2c(Br)cccc2C1"]
["97433155","CC1(O)CC(O)(c2ccccc2)OO1"]
["89851549","CCCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1"]
["61847458","Cc1cc(Oc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2N)cc(C)c1Cl"]
["59024498","CCCc1ccc([C@H]([NH2+]Cc2csc(N(C(C)=O)c3ccccc3)n2)C(C)C)cc1"]
["MCULE-6206484859","Cc1cc(C)c(-c2cccc(CNC(=O)c3ccc(F)cc3)c2)c(C)c1"]
["185776345","CS(=O)(=O)CCCn1c(CN2C(=O)C3(CCN(C(=O)[O-])CC3)c3ccncc32)cc2cc(Cl)ccc21"]
["143619086","CC(C)OCCOCc1cccc(NC(=O)c2cc(Cl)cn2C)c1"]
["148374791","Cc1cc(C)n(CCCN=C(O)N2C[C@@H](C(F)(F)F)[C@H](C(=O)O)C2)n1"]
["129625318","O=c1cc(CSCC(O)=NCCCN2CCCC2)nc2sccn12"]
["135400781","CCCC(C)CC(=O)n1ncc(C#N)c1N"]
["14540407","COc1ccccc1C(O)=Nc1cnc2c(c1)c(C)nn2C"]
["151587315","COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(O)=NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1"]
["15873607","COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(O)=Nc2ccc(F)c(C(=N)O)c2)cc1"]
["MCULE-6288838164","COc1cc(OC)cc(C(=O)Nc2ncc(C)cc2-c2ccnn2C(C)C)c1"]
["140650672","CC(O)C1CCN(CN2C(=O)C3(N=C2O)C(C)CCCC3C)CC1"]
["119556182","Cc1cccc(CNc2cnnc(=Nc3ccc(F)cc3F)[nH]2)c1"]
["151606726","CCc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(O)=N[C@@H](C)CC)S(C)(=O)=O)cc1"]
["MCULE-5050892745","CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1"]
["182505568","COC1C=C(N=C(C)O)C(Cl)=CC1(C(=N)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["98230308","CC(CC(=N)CC(=O)O)C(F)(F)F"]
["44650270","CCC[C@@H](C)N=C(O)COC(=O)/C(=C/c1cccs1)c1cccs1"]
["24226960","NCC1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1"]
["44380873","CCCC(CCCCCCC(=O)O)CC(CCC1N=C(O)N=C1O)OC1CCCCO1"]
["87498885","CC(C)C(N)CC(O)=NCC1CN(C)CCO1"]
["28321889","OC(=Nc1ccc2c(c1)OC(F)(F)O2)NC12CC3CC(CC(C3)C1)C2"]
["88427858","CCCN=C(O)COc1cc(F)c(S(=O)(=O)Cl)cc1Br"]
["62648351","CCN1CCN(C(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)CC1"]
["58818299","Cc1ccc2c(COC(=O)Cn3nc(-c4ccccc4)oc3=O)cc(=O)oc2c1"]
["74967040","Cc1cccc(C(=O)N2CCN(C[C@H](CSC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)c1C"]
["118947326","CN=C(NC1CC1c1cccc(Cl)c1)N1CCN(CC(=O)N2CCCC2)CC1.I"]
["184120450","Cc1n[nH]cc1Cc1ccc(CC(C)C)cc1"]
["14371936","COc1ccc(NC(=O)[C@@H](C)n2nnc3c(C)nn(C)c3c2=O)cc1"]
["62744683","CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1cccnc1N"]
["MCULE-4303428761","O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2CN(C(=O)c3c(F)cccc3C(F)(F)F)C[C@@H]2C1"]
["160188603","OCCOC1CCCN(C(O)=NC2CCOC2C2CC2)C1"]
["55804837","CCOc1ccc(NC(=O)C(N=C(O)C2CCN(C(C)C(O)=Nc3cc(C(O)=NC4CCCCC4)ccc3C)CC2)C(C)C)cc1"]
["50658065","CC(C)C(C)(C)C(O)=NCCc1ccc2c(c1)OCO2"]
["189879452","Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cccc12"]
["MCULE-4127361224","CCN(CC)CCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(OC)cc2OC)C1=O"]
["169008146","COc1ccc(CN2Cc3cccc([N+](=O)[O-])c3OCC2=O)cc1"]
["190507049","CCCCCC(O)=Nc1cccc(CO/N=C(/C2CCCCC2)n2nnnc2C)n1"]
["16444996","CC(=O)CC(C)(C)c1ccc(Cl)cc1"]
["55184499","CC1CCN(c2nccnc2C(=N)N)CC1"]
["124171353","CC(Cn1cccn1)OC(=O)C1(c2cccc(Br)c2)CC1"]
["58777816","C=CCCCn1cc(CNC)c2ccccc21"]
["MCULE-5269160655","CC(C)OCCN=C(O)C1CC(O)CN1C(=O)CSC(C)C"]
["171549571","C=C(C)/C(=C(\\C(C)=NC)c1ccc(C2(CN=C(O)OC(C)(C)C)CC2)cc1)c1ccsc1C(=C)C"]
["101894765","Cc1ccc(OC2CCC(NC(=O)c3ccc(Cn4ccnc4)cc3)CC2)nc1"]
["105295758","CC1(C)C[C@@H]1NCc1c(F)cccc1F"]
["142789696","Cc1ccc(OC(F)F)c(CN=c2[nH]nc(C(C)C)o2)c1"]
["165301459","CS(=O)(=O)N1C[C@@H]2CNC[C@]2(C(O)=NCCc2cccs2)C1"]
["96878744","CC[C@H](C)[C@H](NC(O)CN=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CO)N=C(C)O)C(O)=N[C@@H](Cc1ccccc1)C(=O)OC"]
["10273304","OC(=Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCN1c1nccs1"]
["53489313","CN(C)C1CCN(CCC(C)(C)C(=N)NO)CC1"]
["63308125","COC(=O)CN(CC(=O)OC)c1ccccc1C(F)(F)F"]
["65291814","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC(=N)N)[C@H](CCNC(=N)N)[C@H]12"]
["130347694","CC(C)c1nnc(CNc2cccc(OC(F)(F)F)c2)o1"]
["190247512","CN(C)CC[C@H](CSc1ccccc1)Cc1c(F)cc(S(N)(=O)=O)cc1F"]
["MCULE-2421009636","CN(Cc1ccccc1-c1ccc(N2CCCC2)nc1)C(=O)C1CC(=O)N(Cc2ccccn2)C1"]
["124294500","Cc1nnnn1-c1cc(N=C(O)N2CCCC2Cn2ccnc2)ccc1F"]
["CSSS20621766499","CC(C)C(C(O)=NCC(C)(C)CN=C(O)c1cnc2[nH]cncc1-2)N1CCN(C)CC1"]
["50416288","CCCN(CC1CC1)c1cc(C(=O)N(C)C)ccc1N"]
["MCULE-5174921768","CC(=O)c1ccccc1-c1cc(C(=O)N2CCC(C(F)(F)F)CC2)ccc1F"]
["196466404","COc1ccc2cc1OCC(O)=NCc1ccc(cc1)O[C@@H]1CCN(c3nc4ccccc4s3)C[C@@H]1N=C2O"]
["91506783","CCCCCCCCCC=CC(=O)OC(C(C)C)C(C)C"]
["56324350","COc1cc(/C=C(\\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(Cl)c1OC"]
["24505941","CCOc1ccc(C2CC(=O)C3=C(C2)N=C(O)CC3c2ccc(Cl)cc2Cl)cc1OC"]
["92460355","CCCNC(C)c1c(O)cccc1OC"]
["MCULE-7888596494","COC(=O)N1CCN(C(=O)c2cc(C)cc(-c3ccc(F)nc3C)c2F)CC1"]
["MCULE-9304640718","COc1cccc(-c2cc(C)c(NC(=O)C3CC(F)CN3C(=O)OC(C)(C)C)cc2F)n1"]
["166912977","CCCCCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O"]
["65171608","O=C(O)CC1(Cc2nc3cc(F)ccc3o2)CCCCC1"]
["142804674","COCC(C)COC(=O)CCn1nc2ccccn2c1=O"]
["179859308","Cc1nc[nH+]cc1F"]
["151105271","CCOC(=O)C1=C(C)N=c2s/c(=C\\c3cc(Br)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1Cl"]
["22619917","CC(CN1CCCC1)N=C(O)c1ccc(-n2cccn2)nc1"]
["142645794","COc1ccc(Cl)c(S(=O)(=O)N=c2cnc(Br)c[nH]2)c1"]
["134545577","CCN(CC1COc2ccccc2O1)C(=O)c1nc2ccccc2s1"]
["MCULE-7792479558","Cc1ccccc1CCc1nnc2n1N(C(=O)Cc1ccc(Cl)cc1)C(c1cccs1)CS2"]
["86407132","CCCCCN(C)c1nc(NN)nc(OCC)n1"]
["67651748","OC1=NCCc2ccc(C(O)C3CCOCC3)cc21"]
["119805384","COc1ccc(N=C(O)Nc2c3c(cc4c2OCC4)OCC3)cc1OC"]
["85792990","CCOc1ccc(C(N)c2ccccc2F)c(Br)c1"]
["70563476","NC1CN(c2ccc3nccnc3n2)CCC1c1cc(F)c(F)cc1F"]
["113774020","COC(C(=O)c1c(C)cc(C)cc1F)C(C)C"]
["29598278","CCCCOC1=C(CCC)Cc2cc(I)ccc2O1"]
["170078597","C=C/C=C(\\C/C(C)=C\\C)c1nn(C)c2ncncc12"]
["MCULE-8482396500","COc1cccnc1N=C(O)c1cc(F)c(F)cc1-c1cccc(F)c1"]
["169468130","CCCCCCCCCC/C=C\\CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)OCCN"]
["24924026","CC(=O)Oc1c(S)ccc2cc(C(C)=O)ccc12"]
["29422617","C1=CC2Sc3ccccc3N(C[C@@H]3CN4CCC3CC4)C2C=C1"]
["168673284","COc1ccc(N=Nc2c(C)[nH]n(C)c2=O)cc1"]
["125504879","CC(C)C(C(O)=Nc1ccc(F)cc1OCC1CC1)N1CCCC1=O"]
["56374656","CCCCCCOC(CC)CC1(CC)COC1"]
["93731664","OC(CSCc1noc2c1CCCC2)=Nc1ccccc1I"]
["MCULE-6549500832","CCOC(=O)c1ccc(N2CC(C(=O)Nc3ccc4c(c3)COC4=O)CC2=O)cc1"]
["162637794","N#Cc1csc2ccc(CO)c(I)c12"]
["136273265","Cc1cc(N2CCC(NC3CCCc4ccccc43)CC2)nc(C)n1"]
["MCULE-2898955377","COc1nc(-c2ccc(N=C(C)O)cc2)cnc1N=C(O)c1cccc(C(F)(F)F)c1"]
["55776977","CCN(CCC(=O)OC)C(=O)c1cc(Cl)cc(Cl)c1"]
["193408357","C.Cc1[nH]nc(C(=O)/C=C/c2ccccc2Cl)c1O"]
["18939044","C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@@H](C)C1"]
["47042160","CC(O)=NCC1CN(c2ccc(-c3ccc(CNCc4ccc(Cl)cc4Cl)cc3)c(F)c2)C(=O)O1"]
["57474060","COc1ccc(C2CC23c2ccccc2CCc2ccccc23)cc1"]
["32579448","Cc1cc([N+](=O)[O-])ccc1/N=C(/C(C)C)N(CC(C)C)CC(C)C"]
["112799029","CC(CN1C(=O)N=C(O)C2(CCCC2)C1=O)c1nccs1"]
["MCULE-6232800129","OC(=Nc1cncc(F)c1)c1ccc(F)c(-c2ccnc(F)c2F)c1"]
["182038406","CCNC(C(=N)O)(N(C)C)N(CC)CC"]
["132592986","Cc1ccc(N=C(O)CCN=C(O)C(N)c2ccccc2)nc1"]
["58145006","CC(C)c1nc(O)c2c(n1)CCN(Cc1ccc(-c3cccc(C#N)c3)nc1)C2"]
["175567641","Cc1cc(CCc2ccc(C(F)(F)F)cc2)nc2c(N)c[nH]c12"]
["5913906","COc1ccccc1CN(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(O)=NC1CCCCC1)c1ccco1"]
["MCULE-7559598489","CCOc1ccccc1-c1cnc(N=C(O)COC(C)(C)C)c(C)c1"]
["96591763","O=C(C[C@H]1C[C@@H]1[C@H]1CC1(c1ccccc1)c1ccccc1)On1ccccc1=S"]
["63684604","Cc1c(Br)cccc1C(O)=NC1CCCCC1N"]
["147351576","CN1CCNCC1c1noc(-c2ccccc2SCc2cccs2)n1.Cl"]
["12480390","COCCCCN=C(O)c1cc(-c2cc(OC)ccc2OC)on1"]
["69328667","CCCCC(NCc1nnc2n1CCCC2C(F)(F)F)C(=N)O"]
["174678848","CC(=O)CC(C)=O.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1"]
["107539006","CCCCN[C@H]1CC(C)(C)Oc2cc(C)c(Cl)c(C)c21"]
["MCULE-9905693566","CCCCCCOc1ccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1"]
["10909427","CC[C@H](N=C(O)c1ccsc1)c1ccc2c(c1)OCCO2"]
["178665512","COC(=O)C1CCc2ccccc2N1S(=N)(=O)c1c(C)cc(OC)cc1C"]
["81485663","OC(C=Cc1ccc(C(F)(F)F)nc1)=Nc1ccc2cc[nH]c2c1"]
["165214857","C[C@@H]1N=C(O)C[C@@H](C(O)=NCCCN(C)C)N=C(O)c2ccccc2OC[C@H]2CCCN2C1=O"]
["5810190","CCCNC(=O)c1ccc(NC(=O)c2cnn(C)c2C(F)F)cc1"]
["85581352","Cc1ccc(N=C(O)C2NCCc3ccccc32)c(C)n1"]
["93123634","CCC1CCC(NCC2(CO)CCCC2)C1"]
["44439563","CCOC(=O)/C(C#N)=c1\\s/c(=C/N2CCOCC2)c(=O)n1CC"]
["108774702","CC1=C(CC(O)=Nc2ncc(C)s2)c2cc(F)ccc2/C1=C\\c1ccc([S@@](C)=O)cc1"]
["67724141","Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)cc1F"]
["143157090","CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC2(C1)N=C(O)N=C2O"]
["169888156","c1ccc(P2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccc(N4c5ccccc5Oc5ccccc54)cc32)cc1"]
["176640368","COCc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1"]
["181261903","CCc1cccc(N=[N+]=[N-])c1N1C=CCC1"]
["20362360","COc1ccccc1[N-]S(=O)(=O)c1c(C(C)C)nc2sc(C)nn12"]
["8083471","OC(CN1CCC[C@@H]1c1nc2ccccc2s1)=NC(O)=NC1CCCC1"]
["133183321","CN(CCCN=C(O)CCc1nc(-c2ccoc2)no1)c1ccccc1F"]
["10949461","N=C(O)CC[C@@H]1CCCN(C(O)=NC2CCCCCCC2)C1"]
["MCULE-6033759512","Cc1cc(F)cc(C(O)=Nc2cnc(-c3ccccn3)cn2)c1"]
["MCULE-7252401700","CCOC(=O)c1ccc(CN(c2ccc(F)cc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1"]
["80632108","CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C(C(O)=NC(C)(C)CC(C)(C)C)c1ccc(C(F)(F)F)cc1"]
["124122034","CN1CCC(N2CCC(N=C(O)CCc3ccc(OC(F)F)cc3)CC2)CC1"]
["57851927","Cc1ccc(-n2cnnc2SCC(O)=NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1C"]
["146694780","O=C(O)CCC1CCCCN1C(=O)Cc1cn2ccccc2n1"]
["135477146","CCN=C(O)N1CCN=C(O)C1c1ccc(F)cc1C"]
["11772600","CC(C)N=C(O)CN1CCN(C(=O)C[C@@H](C)CCc2ccccc2)CC1"]
["84369780","O=C(C1CCN(c2cnccn2)CC1)N1CCCCC1c1nc2ccccc2s1"]
["MCULE-3510898699","COc1cccc(CN2CCC(CN3CCN(C(=O)c4csc(C)c4)CC3)CC2)n1"]
["MCULE-2051590351","CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)C1c1ccc(F)cc1F"]
["173145897","CC.CC.CC(C)(C)c1cc(OPO)cc(C(C)(C)C)c1"]
["46863796","CC(C)(C)c1ccc2oc(-c3cc(-c4cc5ccccc5c5ccccc45)c4ccc5c(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)c6ccc3c4c65)nc2c1"]
["136818399","COC(=O)C1Cc2ccccc2CN1Cc1ccc(N2CCCC2)nc1"]
["85639913","Cc1cc(C(Br)Cc2cccc(F)c2F)c(C)cc1Cl"]
["MCULE-6803974742","COC(=O)c1c(C(C)C)nn(-c2cc(O)nc(F)c2)c1C(F)(F)F"]
["1218272","COc1cc(Cl)c(C[NH2+]Cc2c(Cl)cccc2Cl)cc1OC"]
["107382228","Cc1ccc([C@@H](N=C(O)CN2CC[C@H](C)C2)c2cccs2)cc1"]
["124519009","C=C(CSc1nnc(-c2ccco2)n1N)C(=O)OCC"]
["58222699","CN(CCC(O)=NC(=N)O)CCN1CCNCC1"]
["55868645","CC(C)C(CN(C)C)Nc1cc(C(=O)O)cc(Cl)n1"]
["55714139","CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1"]
["114673499","Cc1occc1Sc1c(C)c(Cl)nc2ncnn12"]
["137421608","N#Cc1c(N=C(O)CCNC2(C(=N)O)CC2)sc2c1CCCCC2"]
["15610931","C[NH+]=C(O)N=C(O)[C@@H](C)N1CCN(CC(O)=NCc2ccccc2)CC1"]
["15700867","CCCCCCCc1ccc(-c2ccc(CC(=O)O)cc2)cc1"]
["165369662","CCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1"]
["46556964","NCCCCNC(N)CCN"]
["148087435","CCOc1cccc(S(=O)(=O)NCC(N)c2ccccc2)c1.Cl"]
["123703613","OC[C@H]1CC[C@H](N=C(O)C2CCOC2)CC1"]
["MCULE-5896890750","Cn1nccc1C(=O)Nc1cc(F)cc(-c2cc(C#N)ccc2F)c1"]
["93961661","COC(=O)C1CN(C(=O)c2sccc2Cl)CCO1"]
["130210031","CCc1cnccc1C(=O)N1CCC(CN2CCCCC2=O)CC1"]
["92820541","Br.C=CCn1c(-c2ccccc2)c(C)s/c1=N/c1ccccc1"]
["137710727","CC(C)(C)OC(O)=N[C@H]1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)C1"]
["8185476","CCC(O)=N[C@H](C(O)=N[C@H]1CCCN=C1O)c1ccccc1"]
["154501323","CC(C)(C)[C@@H]1CCc2c(sc(/N=C\\c3cccn3Cc3ccccc3[N+](=O)[O-])c2C#N)C1"]
["93880633","N#Cc1cccc(NCCc2ccncc2)c1N"]
["167780921","CCCCCC/C=C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC"]
["185130935","CCOC(=O)N(CC)c1nccs1"]
["23649257","CC(C)=CCN1CCC(NC(=O)C(=O)Nc2cccnc2)CC1"]
["54746934","CC(C)C(C)CN=C(O)c1cc(NN)nc2ccccc12"]
["173158380","CS/C(=C\\N)C(=O)Nc1ccc(C)cc1"]
["175530569","CC(C)(CC(C)(C)c1ccn(C(F)F)n1)NC(=O)O"]
["79154424","CC[Si](C)(O)[SiH3]"]
["155529343","C[C@@H]1CCc2ccc(Br)cc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1"]
["158206895","CO[C@]1(C)CCCN(C(O)=NC2CCSCC2)C1"]
["180547287","O=C(COc1ccccc1C(F)(F)F)N1CCC2(CC1)C(O)=Cc1ccccc12"]
["84737084","COCc1cccc(NCCSc2ccccc2)c1"]
["49722288","[C-]#[N+]c1c(-c2ccc(-c3ccccc3C)cc2)c(C(=O)OCC)n(C)c1C(C)=O"]
["112424665","N#C[C@H]1CCCCC[C@H]1F"]
["195394094","CC(=O)N1c2ccc(C(O)=NCCO)cc2[C@H](Nc2ccc(C#N)cc2)[C@@H](C)[C@@H]1C"]
["59852057","CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[Si](C)(C)c1ccccc1"]
["176984725","CNC(=O)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1"]
["28701625","Cc1ccccc1Oc1cc(NCCN2CCOCC2)c2ncc(-c3ccc(C(N)=O)c(C)c3)n2n1"]
["141698875","CN(C)C(=O)C1CSCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1"]
["11291224","COc1cc2ccccc2cc1C(O)=Nc1ccc(F)c(Cl)c1"]
["21896609","c1c[nH+]cc(CN2CCC[C@H]2c2nc(-c3cc[nH+]c(N4CCOCC4)c3)no2)c1"]
["68665033","CCOc1ccccc1N(C(=O)C(F)(F)F)C(C(O)=NC1CCCCC1)c1ccc(C)s1"]
["170441808","CC1CCCC(C2CCCCC(C(/C=C(\\N)c3ccccc3O)=C(N)N)CCC2)CCC1"]
["MCULE-4805335376","CC(=O)n1ncc2c(C(=O)Nc3ccc(C)c(Cl)c3)cccc21"]
["129140449","CCCC(O)=NC1CCCN(CCCS(=O)(=O)c2cccc(C)c2)C1"]
["MCULE-4432988157","CCOC(=O)N1CCC(C(O)=Nc2c(C)cccc2-c2c(F)ccc(F)c2F)CC1"]
["MCULE-9783051044","Cn1ncc2c(Nc3cccc(O)c3)nc(N3CCC(C(=N)O)CC3)nc21"]
["43309057","CC[C@@H](N=C(O)CN1CCc2sccc2[C@@H]1C)c1ccc(C)cc1"]
["163668628","O=[N+]([O-])O.O=[N+]([O-])c1ccc(O)c2ncccc12"]
["122215839","C=CCN=C(O)C(C)N(C)Cc1cscn1"]
["48131511","CCOC(=O)C(CCCCCCCCCC1c2ccc(OCOC)cc2OCC1(C)c1ccc(OCOC)cc1)C(O)CCC(F)(F)C(F)(F)F"]
["MCULE-2677503177","COc1cc(C(=O)N=c2ccc(-c3cccc(CN4CCOCC4)c3)n[nH]2)ccn1"]
["198116381","C=C(NC)c1ccc(C)cc1O"]
["74802372","C#C[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)COC)CC[C@@H]32)C1"]
["191180410","COC(=O)CC1=CC2=C3N=c4ccccc4=C3CCN2C=C1C.[O-][Cl+3]([O-])([O-])O"]
["180842814","C/C=C(\\CCC)C(=O)c1ccccc1"]
["163557135","Cc1cc(O)nnc1C1CCCCC1"]
["MCULE-8577323872","COc1cccc2sc(-c3cc(CO)ccc3F)nc12"]
["55872026","C=C(Oc1ccccc1)C(C)(C)CCC(O)CCCC(O)CCC(C)(C)C(=O)Oc1ccccc1"]
["174797499","COc1cc(-c2nc(-c3ccc(CN)cc3)n[nH]2)cc(OC)c1OC"]
["22950351","Cc1cc2n(n1)CCC(=O)N2CCCC(O)=NC(C)C12CC3CC(CC(C3)C1)C2"]
["65169315","COC(=O)C(C)(CSCc1ccco1)NC(C)C"]
["171002787","COc1c(C(F)(F)F)ccc(Cl)c1C(=O)Cl"]
["MCULE-5774668563","Cc1ccc(C(=O)Nc2cc(-c3ccnn3C)cn3ccnc23)o1"]
["140580162","Cc1noc(CCC(O)=NCc2ccccc2S(=O)(=O)N(C)C)n1"]
["88560223","CCCC(CNC(C)(C)C)N(C)Cc1cnn(C)c1"]
["112576999","Cc1cc(=NCCCOCC2CC2)[nH]c(Cl)n1"]
["127117139","OC(CN=C(O)OCC(F)(F)F)=Nc1nc2ccccc2n1C1CCCCC1"]
["169814766","[2H]N(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1"]
["22788076","CC(C)CC(N=C1NC(C)(C)Cc2c1ccc1ccccc21)C(=O)O"]
["22325557","CCc1cc([O-])nc(-n2nc(C)cc2NC(=O)CCl)n1"]
["9764673","O=c1c2ccccc2nc(SCC(O)=Nc2ccccc2F)n1Cc1ccco1"]
["MCULE-9213862122","COc1cc(-c2ccc3oc(N=C(O)COc4ccccc4C)nc3c2)ccn1"]
["89233761","Cc1nc2ccc(C3NCCn4ccnc43)cc2o1"]
["42881341","CC1CCN(c2ccc3cc(N)ccc3n2)C(C)C1"]
["29424785","COc1cc(C(C)C)c(Oc2c[nH]c(=N)[nH]c2=NC(=O)c2ccccn2)cc1I"]
["5249096","COc1cccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)c(Cl)c2)C3=O)c1"]
["MCULE-1254714007","COc1cc(N=C(O)CCc2ccccc2F)ccc1-c1cccs1"]
["42935593","CC(C)(C)c1ccc(C2=NOC3(CCN(OC(=O)Nc4ccc(-c5ccccc5)cc4)CC3)C2)cc1"]
["58598430","CC(C)CCOCCNc1ccccc1I"]
["31509016","Cc1nn(C)c(Nc2ccc(F)cc2Cl)c1-c1ccc(F)cc1Cl"]
["MCULE-3458041945","Cc1ccc(-c2cnc(C)c(N=C(O)c3ccc4nccn4c3)c2)cc1[N+](=O)[O-]"]
["99876328","COc1cccc(C(=O)CC=Nc2cccc(O)c2)c1"]
["57714736","Clc1ccc(/C=N\\N=C2\\[C@@H]3CN4CC[NH+](C3)C[C@]2(c2ccccc2)C4)cc1"]
["162433237","CN(Cc1ccccc1)C(=O)c1sccc1I"]
["29401198","Cc1ccc(Cn2nc(-c3nc(-c4ccc(CNC(=O)O)cc4)no3)cc2C)cc1"]
["92650848","NC(CC1CCCCC1)C1CCOC2(CCCCC2)C1"]
["118055034","CCN=C(NCc1nncn1CC)N1CCN(C(=O)C2CCCO2)CC1.I"]
["110486885","COc1ccc(C[C@@H]2C(O)=N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@@H](C(O)=N[C@H](C)C(O)=N[C@@H]([C@@H](C)O)C(=O)N2C)N(C)C3=O)cc1"]
["56189155","CCCNCc1ccc(OCCN(CCC)CCC)cc1"]
["11150930","CNc1ccccc1C(=O)Nc1ccc(C#N)cc1"]
["98821795","COC(=O)C(c1ccncc1)c1cccc(OC)c1"]
["144323615","C#CCN=C(O)NCCCCOCCc1ccccc1"]
["MCULE-3272113427","CN(C)c1ccc(-c2ccc(C(=O)N3CC4CC3CN4C(=O)OC(C)(C)C)c(F)c2)cn1"]
["144336820","Fc1cccc(CCCN2CC3CCC2C3)c1"]
["174921758","CC(=CC1OC1CO)C(=O)OC(=N)O"]
["122177104","CCC(CC)C(=O)N1CCC(NC(C)CS(C)(=O)=O)CC1"]
["151249311","O=[N+]([O-])c1ccccc1C1=CN2C(CO)=CS[C@H]2N1"]
["79489381","CCC(O)=Nc1cccc(C2(C(=O)O)N=c3cc(Cl)cc(Cl)c3=C2/C=C/C(=O)O)c1"]
["99986528","Cc1ccc(S(=O)(=O)Nc2ccccc2C(O)=NCCN2CCN(c3nc4c(C)cc(C)cc4s3)CC2)cc1"]
["137020964","CC1(c2ccc3c(c2)CCC3)N=C(O)N(Cc2ccncc2Cl)C1=O"]
["195065708","CC(=O)OC1(C)C(=O)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(C)=C5)C(=O)C4(C)O)C=C3C"]
["11002562","OC(Cc1ccc(N2CCOCC2)cc1)=Nc1cccc(N2CCCCC2)c1"]
["91582590","C=c1cc(C)cc2c1=NC(C=Cc1cc(C)ccc1C)=NC2=O"]
["153856280","COc1ccccc1/N=C\\c1c(O)c(C(O)=Nc2ccccc2C)cc2ccccc12"]
["123059542","Cc1ccc(C(=O)NCCN=C(O)Nc2ccc(C(=O)NC3CC3)cc2)cc1"]
["46593862","N=C(S)COc1cccc(NC(=N)O)c1"]
["145266095","c1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccsc6)ccnc5[nH]4)c3c2)nc1"]
["175039915","Cc1ccc(N2I=NN=C2SC(C)(C)C(=O)O)c2ccccc12"]
["74249376","NCCCn1cnc2cc(C(O)=Nc3nnc(-c4ccc5c(c4)OCO5)s3)ccc21"]
["132608312","O=C(C1CCN(C2CCCCN=C2O)CC1)C(F)(F)F"]
["717276","CCOC(=O)c1sc(=NCC2CCCO2)[nH]c1C"]
["MCULE-4876434207","CC(=O)N1CCCC1C(O)=Nc1cc(F)c(-c2cnc(F)c(C)c2)c(F)c1"]
["193088364","Cc1ccc(N(Cc2ccc(C(=O)CN)cn2)C(=O)N2CCOCC2)c(F)c1.Cc1ccc(N(Cc2ccc(C(=O)CN=C(O)C(F)F)cn2)C(=O)N2CCOCC2)c(F)c1"]
["60914018","C[Si](C)(C)CCOCn1cncc1-c1ccc2c(c1)CCCC2"]
["153757033","CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1"]
["MCULE-7934531343","COc1ccc(CN2CCOC3(CCN(C(=O)C4(c5ccccc5F)CC4)CC3)C2)cn1"]
["191103877","C=O.CCc1cccc2c3c([nH]c12)C(CC)(CO)OCC3"]
["160635501","OC(=Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cncs1"]
["183193890","CCC(CCC(CC)[N+](=O)[O-])N=[N+]=[N-]"]
["197877825","OC(=NCc1nncn1-c1ccccc1)Nc1c(F)cc(F)cc1-c1ccccc1"]
["140943979","CN1CCN(c2cc(CNC(O)=NCCCC3CCCC3)ccn2)CC1"]
["122218726","CC(C)(C)C1OCCCC1CN=C(O)CNC(=O)c1cccs1"]
["2009946","COc1cc(OC)cc(OC[C@H](O)Cn2c(C)nc3ccccc32)c1"]
["132463658","CCc1nc(CCNC(=O)C(=O)Nc2cc(C)cc(F)c2)cs1"]
["195894888","COc1ccc(CC(O)=NC2(CC(=O)O)CCCCC2)c(C)c1"]
["85832477","Cc1nc(CS(=O)(=O)c2ccncc2N)sc1C"]
["164840539","CCC(C)N=C(O)C(CC)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1"]
["83942280","CC(C)(C)[Si]([Si+]=[Si-](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C"]
["129610853","Cc1ccc(C#N)cc1OCC(O)=Nc1c(C)cccc1C(C)C"]
["27896399","CC(CN=C(O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)CNS(=O)(=O)C(C)(C)C"]
["157580800","Cc1cc(C)cc(N=C(O)[C@@H](C)N2CCO[C@@H](CN(C)CC(=O)O)C2)c1"]
["157527185","CN1CCNC[C@@H]1c1noc(C2CCCCCCC2)n1"]
["MCULE-9271273109","Cc1cc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3cccc(C)c3C)C2=O)ccc1Br"]
["106518896","O=C(Nc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1)C1CC1"]
["53697503","Cn1c(F)c(F)c(=[NH+]C(C)(C)C)c(F)c1F"]
["42571060","Cc1cccc2c(=O)c(N)c([O-])oc12"]
["MCULE-1874127129","Cc1ccc(-c2c[nH]cc(C)c2=NC(=O)Cc2ccccc2F)cc1[N+](=O)[O-]"]
["125797886","COCC(NC(O)=NCCCc1c(C)nn(C)c1C)c1ccc(F)c(F)c1"]
["48315977","CC1(C)OC2CC3C(Cl)C(=O)OC3C2O1"]
["184187349","COc1ccc2c(c1)c1c(n2CCN(C)C)C2C=CC=CC2SC1"]
["107117133","CCC[C@H]1C[C@H](CN)CCC1=O"]
["189161250","C=CC(=O)N1CC2CN(C)c3c(c4cc(F)c(-c5cccc6cccc(Cl)c56)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C"]
["158470501","CN1CCC(N(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1"]
["119054280","CSc1nc(C(=O)NCC(C)CO)c2ccccn12"]
["MCULE-3102439173","CCN(CC)C(=O)Nc1ccc(N2CCN(C)C(=O)C2)cc1"]
["190400339","CCCCCCC[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1"]
["159716042","Cc1nc(CN=C(O)N(C)CCN(C)C2CCN(C)CC2)no1"]
["143569986","CS(=O)(=O)CCN1CCOCC2(CCOCC2)C1"]
["MCULE-1749179846","Cc1cc(F)cc(-c2cnc3c(c2)CCN3C(=O)COC2CCCCC2)c1"]
["MCULE-9638908751","Cc1cc(-c2ccccc2F)cnc1C(=O)N1CCOCC1C"]
["MCULE-3844521004","CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccn1"]
["200269398","[B+]=C1C(O)=C(O)C2=C(C([O-])CN2)C1O"]
["128643147","CS(=O)(=O)CCCN1CCN(Cc2cccc(F)c2)CC1"]
["54401907","Cc1ccc(C(O)=Nc2c(F)cccc2F)cc1N=C(O)C(C)N1CCC(C(O)=NC(C)C(O)=Nc2ccc(Cl)c(C(O)=NC3CCCC3)c2)CC1"]
["154693759","N[C@@H]1COC[C@H](N2Cc3cn(S(=O)(=O)C4CCCC4)nc3C2)C1"]
["181184268","CC(C)(Cc1cnccc1-c1ccccc1Cl)C(=N)O"]
["95313660","CN=c1[nH]c(C2CC3CCC(C2)N3C)nc2c1CSC2"]
["4756632","CC(C)CCOc1cccc(C(O)=NC(S)=NN=C(O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1"]
["59315860","c1cnc2nc(N3CCOCC3)nnc2c1"]
["168959882","[CH2][Si](C)(C)CCCCCCCC.[Cl-].[Mg+]"]
["MCULE-2350179690","COc1cc(C)ccc1-n1cc(C#N)c(C2CCCCC2)n1"]
["78558940","CC(=O)[C@@H](CC(C)C)NS(C)(=O)=O"]
["MCULE-9136379397","Cc1cccc(CN=C(O)C(Cc2ccc(F)cc2)N=C(O)c2ccc3nc(C(C)C)[nH]c3c2)c1"]
["13276198","COC(=O)c1ccc(CN=C(O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1"]
["165730591","CC1(C)OB(c2cc(C3CCOCC3)ncc2F)OC1(C)C"]
["180872558","COC(=O)/C=C/C(=O)OCC(O)=[NH+]CCCC(=O)O"]
["150062180","CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(N=C(O)CS(=O)c3ccccc3)cc2C(=O)N2Cc3ccccc3CC2CO)n1"]
["2949740","CN1CCN(C(=O)c2cc(Cl)c[nH]2)Cc2ccccc21"]
["MCULE-7711332948","CCOC(=O)N1CCC(N(C)C(=O)c2cnc(-c3ccc4ccccc4c3)cn2)CC1"]
["169648296","Cn1c(C(O)=Nc2ccccc2COc2ccc(OC3C[C@H]4CC[C@@H](C3)C4C(=O)OC(C)(C)C)cc2)cc2sccc21"]
["5547715","CCn1c(CCc2cccc(N=C(O)c3ccc(OC)c(OC)c3)c2)nc2ccccc21"]
["89419182","CCOc1ccc2c(c1)NC(C(=O)O)C2"]
["130536081","OC(=Nc1n[nH]c(C(F)(F)F)n1)c1cccn1C1CC1"]
["115985266","CC(C)(C)N=C(O)c1cccc(C(O)=Nc2ccc(Oc3ccccc3)cc2)n1"]
["69906237","Cc1cc2c(cc1C1CC(O)C(COP3(=O)OP(=O)(O)OP(=O)(O)O3)O1)OCO2"]
["11265590","C[C@H](OC[C@H]1CCCCO1)C([O-])=NS(=O)(=O)c1ccc2ccccc2c1"]
["97352590","Cc1cn([C@H]2C[C@@H]3OS(=O)(=O)CC[C@H]3O2)c(=O)nc1O"]
["26667906","CN=C(NC#N)NCCSCc1cncs1"]
["7893702","CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1C"]
["80130","O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1"]
["81723123","CN(CCc1ccncc1)c1ccccc1C=CC(=O)O"]
["170545152","O=S1(=O)CCOCc2ccc(C(O)=NCc3cc4nc(N5CCC(F)(F)c6cccnc65)ccc4cn3)cc21"]
["12565230","O=C(/C=C/c1ccsc1)c1ccc(C(F)(F)F)cc1"]
["196485116","CO[C@@H]1C[C@H](C(O)=Nc2cc(C(CCC3CC3)(N[S@](=O)C(C)(C)C)c3ccncc3)ccc2F)N(C(=O)Nc2ccc(Cl)cc2)C1"]
["176820287","COc1cc(-c2cccnc2)ccc1-c1nccc2cc(S(=O)Nc3nccs3)ccc12"]
["91400537","CN(C)c1cccc(NC=C2C=Cc3ccccc3C2=O)c1"]
["28964445","O=C1N=C(O)c2c1c1c3cc(F)ccc3n([C@@H]3O[C@H](CO)C(F)[C@H](O)[C@H]3O)c1c1[nH]c3ccc(F)cc3c21"]
["99857146","Cc1cccc(N=C(c2ccccc2)c2ncccn2)c1O[Si](C)(C)C"]
["MCULE-2210655893","CCN1CCN(c2nc3cc(C(C)C)ccc3o2)CC1"]
["101013589","Cn1nc(COCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nc2c(=O)n(C)c(=O)nc1-2"]
["152271296","N#C/C(=C\\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)N1CCOCC1"]
["MCULE-1563866675","Cc1nc(F)ccc1-c1cnc(C(=O)N2CCC(N3CCCCC3)CC2)nc1"]
["52712813","Cc1noc(Cn2c(SCC(=O)O)n[nH]c2=N)n1"]
["62604824","Cc1cc(C)n(CC(C)CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n1"]
["137664785","CC(O)=Nc1ccccc1OS(=O)(=O)c1ccc(F)cc1C(F)(F)F"]
["109303805","CC[C@H]1CCCCN1c1nc2nc(S)n(CC)c(=O)c2s1"]
["MCULE-7142562080","COCc1ccccc1-c1cccnc1C(=O)N1CCC(N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1"]
["24275292","CC1=C(C)CC(C(O)=Nc2sc3c(c2C(N)=O)CCCC3)C(C(=O)O)C1"]
["56054929","Cc1csc(N=C(O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1"]
["151376262","COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\\c1ccccc1)C3=O"]
["33026982","CCc1ccc(C(=O)COc2ccc(C=O)cc2)nc1"]
["MCULE-7075183051","CCN(CC)CCCCN=C(O)Oc1cccc2c(N=C(O)C(C)(C)C)cccc12"]
["2199406","COC(=O)C[C@@H](N=C(O)c1cc(C)nc2c1nc1n2CCCCC1)c1ccccc1"]
["102415141","CC(C)(C)N=C(O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1F"]
["88163643","CCc1nc(C(CN)C2CC2)cn1C"]
["175794291","CC.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2"]
["136128503","CCC(C#N)OC(=O)C=Cc1cnc(C(C)(C)C)s1"]
["93377653","CNc1ccc(C(=O)Nc2cccc(C(C)C)c2)c(C)c1"]
["77880040","Cc1nsc2c1C(=O)C(C(O)=NCC(=O)O)N=C2c1cnccn1"]
["127430500","O=S(=O)(Cc1ccc(Cl)nc1)NCCc1cn2ccccc2n1"]
["MCULE-3091039597","CCCN=C(O)COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC"]
["142205735","CCN(CC)S(=O)(=O)CC(O)=NCCCc1nc(C)cs1"]
["76491778","COc1ccc2cc(C(O)=C3C(=O)C(=O)N(CCN4CCOCC4)C3c3cccc(OC)c3OC)ccc2c1"]
["2046173","C[C@@H](CCc1ccccc1)N=C(O)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1cccc(F)c1"]
["128595513","O=C(N=c1ccn(CC(F)(F)F)[nH]1)C(=O)NCCc1cc(F)ccc1F"]
["18250982","N=C(O)c1ccc(N=C(O)c2cc(Cl)ccc2Cl)cc1Cl"]
["103944765","COc1ccc(C(O)=N/N=C(/C)CC(=N)O)cc1I"]
["164640225","CC1CCC(C)(C)CCS(=O)C1"]
["MCULE-4087248790","O=C(O)Cc1ccc(-c2c(F)cccc2C(=O)N2CCN(c3ccccn3)CC2)cc1"]
["14462002","N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@]12C(=O)N1CCCc3cccc2c31"]
["59638717","CCc1ncc(S(=O)(=O)Nc2nc(CC(=O)OC)cs2)[nH]1"]
["131349113","CN(C)C(=O)c1cc(NCc2cn3cc(Cl)ccc3n2)ccc1F"]
["24709341","CCc1ccc2c(c1)c(C)c(C(=O)NCC1CCCO1)n2C"]
["110446208","CN(C)C(=O)c1cccc(CSc2nnc(-c3ccncc3)o2)c1"]
["130413261","CCCC1CCC(N=C(O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1"]
["194486673","O[C@@H]1C[C@H](c2cc(F)ccc2F)N(c2ccn3ncc(NC(S)=NC4CC4)c3n2)C1"]
["175951342","COC(=O)C1CCC(c2ccc3c(cnn3C)c2)C1"]
["140218089","N=c1nc(SCCS(=O)(=O)c2cccc(Br)c2)[nH][nH]1"]
["140330859","CCOC(=O)Cn1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1=O"]
["190976999","CC(C)(C)OC(=O)C[C@@H]1CCCCc2cc(OS(=O)(=O)C(F)(F)F)ccc21"]
["22304333","Cc1nc[nH]c1CN(Cc1ccccc1-c1ccccc1)C(=O)c1n[nH]c2ccccc12"]
["63201883","CCCCN(C)C1(CN)CCC(C)CC1"]
["106519090","COc1cc(Cl)ccc1CN=C(O)COC[C@H]1CCCO1"]
["139181097","COC(=O)C1CCC(C(O)=Nc2cccc(C(=O)N(C)c3ccccc3)c2)CC1"]
["20062984","Cc1c(C)n(-c2cccc(Cl)c2)c2ncnc([NH2+]Cc3ccc(F)cc3)c12"]
["113120737","C#CC(CCC)N=C(O)CCl"]
["MCULE-3643309850","O=C(c1ccon1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)cc21"]
["147202313","Cl.OC(CC1CCC1)=NCC(N1CCNCC1)C(F)(F)F"]
["MCULE-6924851511","CCCc1nn(CCC)c2c1C(c1ccc([N+](=O)[O-])cc1)C(C(O)=NCCCc1nc3ccccc3[nH]1)=C(N)O2"]
["80680820","O=C1SCCN1CCC(O)=[NH+]C1CCN2CCCCC12"]
["167336544","O=[N+]([O-])/C(Br)=C/c1ccc(O)cc1"]
["81621637","CC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CCN1C(=O)Cc1ccc(C#N)cc1"]
["189231980","c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6ccncc6c6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1"]
["156104304","Clc1c[nH]c2nc(/C=C\\c3ccccc3Oc3ccccc3)nc-2n1"]
["169272951","COc1cccc2oc(-c3c(C)[nH]c4c(-c5ccccc5)c(C)nn4c3=O)nc12"]
["MCULE-6132539343","CN(C)CC(C)(C)N=C(O)c1ccc(-n2ccnc2)nc1"]
["177094289","c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3oc3cc5c(cc34)C3(c4ccccc4S5)c4ccccc4-c4ccccc43)c2)cc1"]
["60833720","COC(C(=O)N1C(=O)OCC1c1ccccc1)C(OC(C)=O)C(=O)C=CC(=O)CCCCCCCCCCO"]
["19068590","CSCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1"]
["25838249","Nc1cccc(OC(CCc2ccc(Cl)cc2)Cn2ccnc2)c1"]
["24757929","CC(C)C(NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc2c(c1)OCCCO2"]
["MCULE-5049746656","CCC(C)c1ccccc1N=C(O)CN=c1[nH]nc(C(F)(F)F)s1"]
["189105196","C=C1[C@H]2CCC[C@H]3[C@@H]1C(C2)[C@@]3(C)CC(=O)OCC"]
["69132731","Fc1ccc(CNCc2nnc3n2CC(C(F)(F)F)CC3)cc1"]
["86993977","CCn1cc(Br)cc1C(=O)NCC(C)(C)N"]
["122210596","COCCCOCCN(C)C(=O)c1cc(C)nc2c1cnn2C"]
["MCULE-3334220352","COc1ccc(-c2cc(F)cc(N=C(O)c3cocn3)c2)c(OC)c1OC"]
["169159404","COc1cc(CC(=O)C(=O)O)ccc1OCC(=O)Nc1ccc(Br)cc1"]
["30819104","CCC(Oc1ccc(-c2cn3cccc(C)c3n2)cc1C)N1CCCCC1"]
["176474919","C#CCOc1cnc(/C(F)=C/c2cnc(F)c([C@H](OC=O)C(C)SC(=NC)N(SF)C(=O)OC(C)(C)C)c2)cn1"]
["190749203","CNS(=O)(=O)c1ccc(CCCN=c2cc(-c3cccc(C)c3C)[nH]c(=N)[nH]2)nc1"]
["MCULE-1102000591","COc1cc(OC)c(-c2ccc(CC(=O)N(c3ncnc4ccccc34)C3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)c(OC)c1"]
["91745652","CC1(C)CC(n2c(=N)[nH]c3c(Cl)cccc32)CC(C)(C)C1"]
["84192378","CCCCCCN=C(O)C(N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(N=C(O)OCc1ccccc1)C(C)C)C(C)CC"]
["101718147","CCOC(=O)N1CCN(c2cc(Cl)c(C(C)=O)cc2F)CC1"]
["MCULE-8598701076","Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)cc(C)c1-c1cccc(N2CCOCC2)c1"]
["18246320","CCN(C(=O)c1c(-c2ccccc2Cl)noc1C)c1ccccc1C"]
["67540880","CCCNCC(OC1CCCC(C)C1)c1ccccc1Br"]
["176915490","C=C(C)c1cc(Cl)c2c3c(Cl)ccc4ccc(Cl)c(c5c(Cl)cc(C(C)=O)c1c25)c43.Cc1cc2ccc3cccc4ccc(c1C)c2c34"]
["94674871","N#Cc1ccc(OCC(=O)Nc2ccc(CN3CCCCCC3)cc2)cc1"]
["168608520","O/N=C/c1c(O)cccc1F"]
["MCULE-6571579284","CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)C2c1ccccc1F"]
["25014721","CCO[Si](CCCNCc1ccccc1)(OCC)OCC"]
["128899081","Cc1cccnc1C=CC(=O)OCCCS(C)(=O)=O"]
["144425554","COc1ccccc1COCC(O)CN(C)C1CCN(C)C(C)C1"]
["186887789","C[C@@H]1CN(c2ccc(C#N)c3ncccc23)[C@@H](C)CN1C(O)Nc1ccc(N2CCC(CN3CCN(c4ccc5c(c4)CN([C@H]4CCC(O)=NC4=O)C5=O)CC3)CC2)nc1"]
["151153133","COc1ccc(N2CCN(C(=O)CC[C@H]3N=c4ccccc4=NC3=O)CC2)cc1"]
["94408607","COC(C)(C)CNC(C)Cc1cccs1"]
["84152781","CC(C)C1Nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2S1"]
["46152268","COc1cc(NCCC2CCCC(C)C2)ncn1"]
["178589247","O=C(O)[C@H]1CC(CCB(O)O)CC[C@H]1CN1Cc2ccccc2C1"]
["164110186","CC(C)(C)CCN=C(O)CCC(=N)O"]
["68365226","O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(Nc2ccccc2)C1"]
["176014815","CCC(=O)c1cc(C(=O)OC)cc(-c2cc(-c3cccc(-c4cc(-c5cc(C(=O)OC)cc(C(=O)OC)c5)n[nH]4)c3)[nH]n2)c1"]
["MCULE-8903859567","COc1cc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cn2)ccn1"]
["166534235","CC(Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl)c1cccc2ccncc12"]
["129259045","CCC(C)(NCc1ccc(SC(=O)N(C)C)cc1)c1nccs1"]
["169221000","CC(C)(C)OC(=O)N1CCN(Cc2cccc(/C=N\\N=C3N=C(O)C(CC(=O)O)S3)c2)CC1"]
["170882617","C[C@@]1(Cc2c[nH]c3ccc(Cl)cc23)c2c([nH]c3ccc(Cl)cc23)[C@H]2C=CC1C2"]
["CSSS14929152338","O[C@H](CNc1cccc(COCCOc2ccccc2)c1)C(F)(F)F"]
["136949705","CC(C)(C)CC(O)CN=C(O)NOCc1cccnc1"]
["77672508","Cc1ccc2[nH+]c(-c3ccc(N4C(=O)CC(N5CC(C)OC(C)C5)C4=O)cc3)sc2c1"]
["33002554","COc1nc(=N)[nH]c2c1N=C(O)[C@@H](Cc1ccccc1)N2"]
["197186659","Cn1cc([C@H](CC(=O)O)N=C(O)OCc2ccccc2)nn1"]
["73879502","CN(C)N=C(O)C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1.Cc1ccc(S(=O)(=O)O)cc1"]
["176301088","C1=CC(c2cccc(CN=C3Nc4ccccc4NC34CCCCC4)c2)=CCC1"]
["102806365","CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cccc(O)c3)C[C@@H]21"]
["MCULE-3405858375","O=c1cc(CNc2ccc(Cl)c(Cl)c2)n(CCCN2CCOCC2)cc1OCCc1ccccc1"]
["52753929","CCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(OCc2ccccc2)cc1"]
["110363105","Cc1cccc(-n2nnc(C(O)=NCc3cccc(S(=O)(=O)NC(C)C)c3)c2C)c1"]
["175193778","Cc1ccc(S(N)(=O)=O)c(-c2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(C#N)c2)c1"]
["177651985","O=C(Nc1ccc(CCCc2ccccc2)cc1)N1CCC2(CCNC2)CC1"]
["140714993","Cc1csc(C(C)NC(=O)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)n1"]
["127802196","COCCC(C)(O)CN=C(O)C=Cc1c(C)nn(Cc2ccccc2)c1Cl"]
["15522408","Fc1cccc(CN(Cc2noc(-c3ccoc3)[nH+]2)C2CC2)c1"]
["180147972","CCCC1C2CCC3C2C1N3C"]
["142205518","CCN(Cc1cccc(Cl)c1)C(=O)C(=O)c1c(C)nn(C)c1C"]
["163950774","OCc1c(-c2ccc(Cl)cc2)noc1-c1ccc(Cl)c(Cl)c1"]
["151996255","COCC[C@H](C)N=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4F)nc(C[C@@H](C)O)n3C)nc2o1"]
["MCULE-8144785844","CCn1cc(-c2ccc(F)cc2C(=O)N2CCC(N3CCCCC3)CC2)cn1"]
["9738781","COc1cc(C)ccc1N=C(O)N(C)CCOc1cccc(F)c1"]
["95487947","CCN(CC)c1cc(Cl)c(N)cc1C"]
["197193875","CC1CC(C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1CN"]
["85558872","CC(C)C(N)CN=c1nc2c(Br)cccn2[nH]1"]
["109582402","Cc1cccc(N2CCN(CC[C@H](C)Nc3ncnc4sccc34)CC2)c1"]
["31958200","CC(C)CS(=O)(=O)c1cccc(-c2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1"]
["48263094","O=c1c2cnn(CCN=C(O)c3ccccc3Oc3ccccc3)c2ncn1Cc1ccc([N+](=O)[O-])cc1"]
["86414051","NN=c1cncc(-n2cncn2)[nH]1"]
["65409867","COC1(C(=O)O)C=CC=C(N2CCCC2=O)N1"]
["151055341","CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\\N=C(O)N(Cc2ccc(C(=O)OC)o2)C1=O"]
["131009043","CC(=O)N1CCCC(C(=O)N2CC3(CCCC3)c3ccccc32)C1"]
["177295063","CCOC(=O)N1CCN(C(=O)[C@@H]2[C@H]3CC[C@@H]2NC3)CC1"]
["125038505","Cc1cc(C)nc(NC(=O)c2ccc(-n3ccnc3)cc2)c1"]
["MCULE-1024309820","Cn1cc(-c2ccc([N+](=O)[O-])cc2)cc(N=C(O)c2cnc3ccccc3n2)c1=O"]
["MCULE-3631974472","CCCCOc1ccc(C2C(C(=O)N3CCOCC3)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1"]
["MCULE-8839301116","CC(C)(C)c1nn(C(c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(N)c1CN"]
["141154662","CC(C)n1cc(CN2CCN(C(=O)c3cccs3)CC2)cn1"]
["176214192","CC1N(CCN)C=CN1CCN"]
["6874494","O=c1ccccn1CCCN=C(O)NCCc1ccccc1Cl"]
["128550970","N#CC1(CS(=O)(=O)N2CCN(CCCO)CC2)CC1"]
["MCULE-3159701546","CS(=O)(=O)c1nn(Cc2cc(F)ccc2I)c(Br)c1C(=N)O"]
["MCULE-1193931795","COc1cnc(C(O)=Nc2cnc(-c3ccc(OC(C)C)cc3)cn2)cn1"]
["136429298","Cc1cccc(C(O)=Nc2sccc2C#N)c1[N+](=O)[O-]"]
["188418502","CCCCCCCC/C=C/C/C=C/C=C/C(O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C"]
["80009842","CNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1"]
["148633160","COc1ccccc1CC(c1ccc(O)cc1)[C@@H](C(=O)O)N(S)C(C)=O"]
["186452321","C#Cc1ccc(CN(C(=O)OC(C)(C)C)C(C)C)cc1F"]
["183499984","CCCc1nc(O)c(Cc2cc3cc(OC)ccc3nc2N=[N+]=[N-])c2cc(OC)c(OC)cc12"]
["99769772","[B]Pc1cc(-c2ccccc2Cc2ccc(OC)cc2)ccc1C"]
["59100901","CC(C)C(C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(O)=NC(C)(C)C"]
["172250671","CCCCCCCCCCCCCCCC=Cc1ncc(C(C)N)[nH]1"]
["12879532","OC(CC[C@@H]1CCCO1)=NCC(O)=Nc1cccc(F)c1"]
["MCULE-6386781442","CCC(N=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(O)=NCc1ccccc1OC"]
["8118967","CCOC(=O)c1[nH]c(C)c(C(=O)Cn2c(-c3ccccc3)noc2=O)c1C"]
["MCULE-8625112939","CCCCCCN=C(O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)C1c1ccc(OCCCC)cc1"]
["184079721","C/C(=C\\S(=O)(=O)N(CCN(C)C)[C@H]1CCN(N=[N+]=[N-])C1=O)c1ccc(Cl)s1"]
["MCULE-2037299178","CCC(C)N=C(O)c1ccc2nc(-c3ccc(OCc4ccc(C)cc4)c(OC)c3)[nH]c2c1"]
["32226109","Cc1c(Oc2ccc(Cl)cc2)c2ccc(Cl)nc2n1Cc1cc(O[C@H](C)C(=O)O)ccc1Cl"]
["MCULE-8614715747","COc1ccc(C)cc1-c1c(F)cccc1N=C(O)C1CCN(C)CC1"]
["14972761","CCc1nc([C@@H]2CCCN(C(O)=NCCCCOc3ccc(C)cc3)C2)no1"]
["145392725","CC(Br)C(=O)c1ccc(N)c(CCl)c1"]
["123967525","Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(C)C)nn1-c1ncccn1"]
["MCULE-9803099962","COc1cncc(-c2cccc(C)c2N=C(O)c2c(F)cc(F)cc2F)c1"]
["61587271","CCC1N=C(O)C(C)N(c2ccccc2Br)C1=O"]
["162959173","O=C1[C@@H]2[C@H]3CO[C@@H]2[C@@H]2OC[C@H]3[C@H]12"]
["126808985","CC(NC(=O)c1cc(Cl)ccn1)C(O)=Nc1cccc(N2CCCC2)c1"]
["156736760","C[C@@H]1C[C@@H](N=C(O)CCCl)CCN1C"]
["6597995","COc1ccc(C(=O)NCC(=O)OCC(O)=Nc2ccc(F)cc2F)cc1"]
["160198172","CN1CCC(O)(CN=C(O)Nc2ccsc2Cl)CC1"]
["124170256","Cc1cc(N2CCSCC2)ccc1N=C(O)C(=O)NCCCN(C)C"]
["6001328","Cc1ccc(C2=NN[C@](C)(c3ccc4ccccc4c3)S2)cc1"]
["17649682","CCN=C(O)N[C@H]1CC[C@@H](OC(=O)c2ccc(C)o2)CC1"]
["42928747","COCc1c(OC)c(OC)cc2c1-c1c[nH]nc1NC2=C1C=CC(=O)C(Cl)=C1"]
["97176172","O=C(O)CCC/C=C\\C[C@H]1[C@@H]2CO[C@H](C2)[C@@H]1NNC(O)=Nc1ccccc1"]
["110671342","O[C@H]1CCCC[C@@H]1n1nnnc1Cc1ccc(Br)cc1"]
["MCULE-1991100098","CCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1CSC(C)(C)C"]
["152879362","CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1"]
["74186067","[N-]=[N+]=Nc1ccc(C(=O)N2CCOCC2)c(F)c1"]
["45622956","O=c1oc2ccccc2n1CCCN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1"]
["112457833","CNCc1sc(N2CCCS(=O)(=O)CC2)nc1C(C)C"]
["MCULE-3781508231","Cc1ncc(N=C(O)c2ccc3nccn3c2)cc1-c1ccc2[nH]ccc2c1"]
["76433347","O=C1N=C(O)C2C(SCc3cc(=O)n4ccccc4n3)NC(C3CC3)NC2N1C1CC1"]
["105539614","CC(=O)N1CCN(C(=O)CCCc2cccc(N)c2)CC1"]
["184346956","CC12C=CC=CC1N(c1nc(-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ncccc43)n1)c1cccnc12"]
["144435464","CSCCC(O)=Nc1cc(C(O)=NCC(F)(F)F)cc(F)c1C"]
["18446562","COc1ccc(-n2c([C@H](C)N(CCC(C)C)C(=O)C(C)(C)C)nc3ccccc3c2=O)cc1"]
["MCULE-6174688937","Cc1cc(F)ncc1-c1ccc(C#N)c(N=C(O)c2ccc(C#N)cc2)c1"]
["88815620","COC(=O)CCN=C(O)C(N)c1ccc(N)cc1"]
["26710850","C=CC(=O)OC1CCCCC1C"]
["121538597","Cc1c(N=C(O)CCN2CCN(c3cccs3)C(=O)C2)cccc1[N+](=O)[O-]"]
["175360703","COCOC(CO)CC1OB(O)c2cc(OC3CCCCO3)cc(C)c21"]
["45628411","CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(N3CCCC3=O)cc2)cc1"]
["MCULE-3855130534","CCc1nn(-c2cccc(Cl)c2)c2c1C(c1cn(C)c3ccccc13)C(C(=O)N1CCCC(CO)C1)=C(N)O2"]
["8570293","C[NH2+][C@H](C)c1ccc(OC)c(-c2ccc(OC)c(OC)c2OC)c1"]
["126135833","CC(CO)(NC(O)=Nc1cccc(Br)n1)C1CCCCC1"]
["137190582","CC(N)C(O)=NCCOc1ncccc1C(F)(F)F"]
["171749714","CCOC(=O)[C@H](CN=C(O)CN=C(O)C(CCC1CCN(C(=O)OC(C)(C)C)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1c(C)cc(C)cc1C"]
["8262403","CCNC(=O)c1ccc(CN=C(O)N[C@@H](C)C(O)=N[C@@H](C)CC)cc1"]
["177482208","CCCCN(C(=O)OC(C)(C)C)C(CS)C(=O)O"]
["30270173","CCc1ccc(NC(=O)OCC2(C(C(=N)O)c3ccccc3Cl)CCN(C(=O)C(N)CN)CC2)cc1"]
["124994024","COc1cc(CN=C(O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1O"]
["54174121","CC(N=C(O)c1coc(CN(Cc2ccccc2)Cc2ccccc2Cl)n1)c1ccccc1"]
["25642439","Cc1cc(N=C(O)N=C(O)c2c(F)cccc2Cl)c(C)c(Cl)c1Oc1ncc(C#N)cc1Cl"]
["66018775","CCOc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CCC3)cc1OCC"]
["12599366","C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCc4ccccc4C3)cc21"]
["MCULE-7543434937","CCOc1cccc(F)c1-c1ccc([N+](=O)[O-])cc1N=C(O)c1cccc(C)n1"]
["199746894","OC(CCl)=Nc1nnc(-c2ccc(Br)cc2F)s1"]
["136807384","CCCCOC1CC(OC(=O)CCc2cnn(C)c2C)C1(C)C"]
["138417305","CCCC1CCC(N(C)CC(O)=NCC)CC1"]
["MCULE-8045416384","Cc1ccc(-n2nc(C)c(C3CCC3)c2Br)nc1"]
["176556415","C=Cc1ccccc1C.CC.CNc1cccc(CC(C)C)c1"]
["19561085","CCc1noc(CN2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)[nH+]1"]
["109720856","COc1ccccc1[C@@H](CN=C(O)/C=C(\\C)c1ccccc1)N1CCCC1"]
["90624902","CCC(C)C(N=C(O)C(Cc1cnc[nH]1)N=C(O)C(N=C(O)C1CCCN1C(=O)C(C)N=C(O)C(N)C(C)C)C(C)C)C(=O)O"]
["49007825","[C-]1=CC2=C(CCCC2)C1[Si]C1C=CC2=C1CCCC2.[Li+]"]
["98267779","CNc1ccc(OC)c(C(=O)N(C)CCO)c1"]
["20702209","CCOc1cc(/C=C/C(=O)N2CCN(CCOc3ccccc3)CC2)ccc1OC"]
["77944840","CSCCC(N=C(O)C(Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)C(N)Cc1ccc(O)cc1)C(O)=NC(CO)C(=N)O"]
["96670419","C=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\\[Si](C)(C)c1ccccc1"]
["MCULE-3967264649","CCC(C)N(C(C)=O)c1ccc(F)cn1"]
["180192422","CCCC(O)=Nc1cncc(-c2cnc3n[nH]c(-c4nc5c([nH]4)C(c4cc(F)cc(CN[S@](C)=O)c4)=CCC5)c3c2)c1"]
["180869192","O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1Cc1ncccn1"]
["140470227","Cc1nc(C(NC(O)=NCc2nc3ccccc3s2)c2ccccc2F)no1"]
["30593476","CC[C@H](COC(=O)CN)OC(O)=NCc1cccc(N=C(O)Nc2ccc(-c3cnco3)c(OC)c2)c1"]
["13518503","COCCOCc1cccc(NC(O)=[NH+]CCCN2C[C@H](C)C[C@H](C)C2)c1"]
["172774543","C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCCN(Cc2ccccc2)C3=O)C[C@@H]1CC#N"]
["90668758","O=C1CCCC2C1CCC2C1CCCCC1"]
["179442706","CC(C)[C@H]1C[C@@H](C)O[C@@H](O)C1"]
["147490856","CC1Oc2ccccc2OC1C(=O)N1CCC(COc2nc3ccccc3s2)CC1"]
["MCULE-3046647097","CCCCCCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCC(CO)CC1"]
["145291182","CC(C)(C)c1nc2cc(S(=O)(=O)c3ccc(C#N)s3)ccc2n1CC1CCCCC1"]
["MCULE-7263633602","CCCCN=C(O)CN=C(O)C(C)Oc1ccc(Cl)cc1"]
["175423823","CCCOC(CNC)c1ccsc1C"]
["104369174","CCOc1ccc(-n2c(S[C@@H](C)C(O)=Nc3cccc(Cl)c3)nnc2-c2ccncc2)cc1"]
["47650342","COc1cc(O)c2c3c1C[C@@H]1[C@@H]4CC[C@@H](N[C@@H](C)C(=O)O)[C@H](O2)[C@]34CCN1C"]
["104610778","CCN=C(O)c1coc(CN(Cc2ccc(C(C)C)cc2)[C@H](C)CC)n1"]
["165435686","CCc1ccc(N(C(C)C(O)=NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1"]
["76773011","CC1=COC2CC(C)CCC2C1=O"]
["23183428","Cc1c(N=C(O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)c(=O)n(-c2ccccc2)n1C"]
["MCULE-1419166479","CNCCC1CC1c1cnc(Cl)c(C(F)(F)F)c1"]
["78463467","O.O=[N+]([O-])[O-].[Bi]"]
["184993657","CC(C)CC(C)(COc1ccc(-c2ccnc(C=O)n2)nc1C(F)F)NC(=O)[O-]"]
["129823829","C#CCSCCNC(O)=NCCN(CC)C1CC1"]
["60417332","COc1ccc(C)cc1N(CC(O)=Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(=O)(=O)c1ccc(C)cc1"]
["74154879","Cc1c([N+](=O)[O-])cc(Br)c(OC2(C(C)O)C=CC=C(C(C)C)C2O)c1Br"]
["MCULE-5692974359","COc1ccc(OC)c(C2=C(Nc3ccccc3Oc3ccccc3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1"]
["45931633","O=C1N=C(O)C(Cc2ccc(OCCN3CCc4ccccc4C3=O)cc2)S1"]
["MCULE-9607383437","COc1ccc(-c2cccnc2C(=O)N=c2cccn[nH]2)c(F)c1"]
["26309817","CCc1cnc2c(N=C(O)c3c(Cl)cccc3Cl)cccc2c1CCBr"]
["199690855","O=C1CC(CO)CN1c1cc(Cl)ccc1-c1nn[nH]n1"]
["MCULE-2373244921","Cc1nc2ccc(N=C(O)CC3CCN(C(=O)C4(c5ccccc5)CCN(c5cccc6c5C(=O)N(C5CCC(O)=NC5=O)C6=O)CC4)CC3)cc2s1"]
["169413042","CCCCCCCCCCCCCCCCCCCCCC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCC"]
["87087477","CC1CCOC1C(O)=Nc1cc(C#CCO)ccc1Cl"]
["6969548","C[C@@H]1C(=O)O[C@@]2(OC(=O)c3ccccc32)[C@H]1c1ccccc1"]
["181080507","CC1(C)OB(c2ccc(-c3nc(O)c4c[nH]nc4n3)cc2)OC1(C)C"]
["MCULE-2722243317","CCOc1ncccc1C(=O)N1CCc2cc(-c3ccc(OC)cc3OC)ccc21"]
["73956498","CN(C[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccnc(NN=C(O)CC(F)(F)F)c1C(F)(F)F"]
["68640038","CCNC1CCCC1Cc1cc(Br)ccc1F"]
["91979457","CCN(C(=O)c1cc(C)[nH]c(=N)c1)C(C)C"]
["2689946","N#Cc1ccccc1N=C(O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1"]
["132272357","Cc1ccc(C2COCCN2C(=O)C2CC(C)CC(C)C2)o1"]
["59473444","CC1=NN(CC(=O)N2CC[C@@H](CN=C(O)CC(C)C)[C@H](O)C2)CC1"]
["198571183","CNSc1ccccc1S"]
["99992326","C=C(Br)Cn1c(C2CCCO2)nc2ccccc21.Cl"]
["93799623","CCC(C)(C)Oc1ccnc2cc(Br)cnc12"]
["133854418","O=C(CSCc1ccccn1)OCc1nc(-c2cccc(Cl)c2)no1"]
["104938928","Cc1ccc(C)c(Cn2c(CN=C(O)[C@@H]3CCCO3)nc3ccccc32)c1"]
["MCULE-3826373244","COc1ccccc1C(CN=C(O)c1cc(C)ccc1N(C)C)CC(=O)O"]
["MCULE-7372717391","COc1nc(=NC(=O)c2c(-c3ccc([N+](=O)[O-])cc3)cnn2C)nc(OC)[nH]1"]
["46154932","COc1ccc(Nc2cccc(OCc3cccc(COc4cccc(Nc5ccc(OC)cc5)c4Nc4ccc(OC)cc4)c3)c2Nc2ccc(OC)cc2)cc1"]
["119520811","COc1ccc(CCN=c2cc(C)[nH]c(=NCCN(C)C)[nH]2)cc1"]
["163778652","CCn1cc([C@H]2OCC[C@@H]2CNCc2c[nH]nc2-c2cccnc2)cn1"]
["48539904","CN1C(O)=NC(c2ccccc2Cl)C2=C1CN(CC(O)=NCCc1ccccn1)C2=O"]
["MCULE-3578982624","CN1CCN(c2ccc(N=C(O)CSc3ccc(-c4cc(F)c(F)cc4F)cc3)nc2)CC1"]
["9241729","OC(CCc1c[nH+]ccn1)=N[C@@H]1CCCN(C2CCCCCC2)C1"]
["MCULE-6756831923","Cn1nccc1NC(=O)c1cccc(-c2ccc3cnn(C)c3c2)c1F"]
["171279970","CC(=O)c1cc2ccccc2cc1C1C(C)=Cc2ccccc21"]
["139151987","CN(Cc1ccccc1Cl)C(O)=NCc1cc(C#N)ccc1F"]
["172631027","CC(OC(=O)ON)c1ccccc1"]
["104755836","C=CCSc1ccccc1N[C@H](C)CC(C)(C)OC"]
["53825053","CCCCC(CC1CC(=O)OC1=O)S(=O)(=O)[O-].[Li+]"]
["15749014","COc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)nc(OC)n1"]
["181734719","O=C(O)c1cnc2[nH]c([O-])c(C=Nc3ccccc3CCO)c2c1"]
["102054561","NS(=O)(=O)c1ccc(CCN=C(O)[C@@H]2C[C@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccccc2)cc1"]
["21800297","CCn1c(S)nnc1CN=C([O-])[C@H]1C[C@H]1c1cccc(F)c1"]
["189913146","COc1ccc(-c2cc(=Nc3cc(C)[nH]n3)[nH]c(S(=O)(=O)c3ccc(N=C(C)O)cc3)n2)cc1"]
["171072497","Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.O=C(C[n+]1ccncc1C(=O)c1c2ccccc2cc2ccccc12)c1ccccc1"]
["155580594","Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(Br)c1)O2"]
["25890119","CC1(C)CCC(C)(C)c2cc(C3=CCCC3=CC(=O)O)ccc21"]
["103146063","CN(C)c1ncccc1CN=C(O)[C@H]1CCCCO1"]
["49720429","CN(C(=O)c1cc(F)ccc1N)c1ccc(C#N)cc1"]
["MCULE-2621871740","Cc1ccc(-c2ccc(C#N)s2)c(N=C(O)C2CC(=O)N(Cc3ccccc3)C2)c1"]
["MCULE-5025369104","COc1ccc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)C5CCS(=O)(=O)CC5)CC4)cc3)ccc2c1"]
["68716807","CCC(C)c1ccc(-c2ccc3cc(C)ccc3c2)cc1"]
["43131950","C=C[C@@H]1CC1(N=C(O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)CN1)C(O)=NS(=O)(=O)C1CC1"]
["45139101","Cc1ccccc1/C=C(\\N=C(O)c1ccccc1)C(=O)Nc1ccc(SCC(O)=Nc2ccccc2Br)cc1"]
["105174944","N=C(S)c1ccnc(N2CCCC[C@@H]2C(=N)O)c1"]
["MCULE-5096589967","CCCCOCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCC(O)CC1"]
["83450240","CC1=C(C)C2C(=O)N=C(CSc3ncnc4ccccc34)N=C2S1"]
["6199663","CCN(CC)CCN=C(O)c1cccc(C#[NH+])c1"]
["155456066","N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCOC1"]
["110360849","Cc1cccc(N(C)CC(O)=Nc2sc3c(c2C#N)CCCC3)c1C"]
["150268805","CC1CC(=O)C(=CN(C)C)N1C(=O)C(F)(F)F"]
["154129985","COC(=O)[C@@]1(C=O)CCCN1C(=O)OC(C)(C)C"]
["42088132","COc1ccc(-c2noc(C3CCC(=O)N3Cc3cccc(Cl)c3)n2)cc1OC"]
["162595055","CC1C(CN)C(Br)CN1C(=O)OC(C)(C)C"]
["96846812","Cc1cc(C)c(Cc2nc(C#N)c(Cc3c(C)cc(C)cc3C)nc2C#N)c(C)c1"]
["133378233","COCC(O)CCN=C(O)Nc1cccc(OC2CCCC2)c1"]
["MCULE-5336858546","COc1ccc(F)cc1-c1cc(C#N)ccc1NC(=O)Cc1ccccc1C"]
["43706576","CCCCCCCCc1c(CCCCCCCC)c(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1"]
["99311221","CCOC(=O)C1=NN=C(c2ccccc2)/C1=N/Nc1ccccc1"]
["129645989","CC(N=C(O)C(N=C(O)c1ccccc1F)C(C)C)C(O)=Nc1ccccc1"]
["103492264","CCc1cc2c(=O)n(C[C@H](O)COc3ccc(Cl)cc3)cnc2s1"]
["116790648","COC1(C)CC(NC(=NCc2nnc(C)n2C)NC2CCCCC2)C1(C)C"]
["177164319","O=C1c2cccc(Br)c2C(=O)C1(O)O"]
["47194923","CCN(C(=O)CSc1nnc(C)c(=O)n1N)c1ccccc1"]
["MCULE-3056799100","COc1cccc(Cn2nc(C3(C)CC3)c(C3(C)CC3)c2N)c1F"]
["151999480","CCN=C(O)NCc1cccc(CNC(O)=NCC)n1"]
["MCULE-1165445478","Cc1ccc(NC(=O)COc2cn(CCO)c(CN3CCN(c4ccccc4F)CC3)cc2=O)cc1C"]
["172593925","C[C@H](NC(=O)c1ccc(N2Cc3ccccc3C2)cc1)C1CC1"]
["163158831","N#CCc1cc2c(C(=O)O)ccc(Cl)c2s1"]
["130374376","CCc1nc2n(n1)CCCC2N=C(O)N(C)CC1(O)CCCC1"]
["MCULE-7036369674","COc1cc(OC)cc(-c2cc(C(O)=Nc3ccccc3F)c(F)cc2F)c1"]
["66445167","CCCN(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1"]
["107419656","CC(C)N1C[C@H](c2ccccc2C(F)(F)F)C2(CCNCC2)C1=O"]
["23377897","COc1ccccc1CN1CC(C(O)=NCc2ccc(Cl)s2)CCC1=O"]
["17836782","Cc1nccn1-c1cc(CN=C(O)/C=C/c2ccc(OC(C)C)cc2)ccn1"]
["176528641","CCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(OC)cc2)cc1"]
["12674546","O=C(C[n+]1csc2ccccc21)N(Cc1ccccc1)Cc1ccccc1"]
["178043039","Cc1c2c(c(=O)n3c1C(=O)NC31CCCCC1)Nc1cc(N=C(O)CO)ncc1C2"]
["MCULE-2710432115","COCc1ccccc1-c1ccc(CCC(O)=NCC(C)(C)CN(C)C)c(F)c1"]
["172744811","O=C(Cn1ccnc1)c1cc(F)c(Cl)cc1Cl"]
["78510190","CCCC(N)CCC(C)C(C)C"]
["MCULE-4686730781","CC12CCC(CC(N)C1)C2(C)C"]
["59857341","Cc1cccc(Oc2ncc(CNC(C)(C)C)cc2Cl)c1"]
["167357073","CC(CC(=O)/C=C/C(C)(C)C)c1ccccc1"]
["165125855","Cn1cc(/C=N\\Nc2nc(SCCC(O)=Nc3nc4ccccc4s3)n[nH]2)cn1"]
["192993754","CC(Cc1ccccc1)(CC(F)(F)F)C(=O)Cc1cnc2c(F)c(F)ccc2c1"]
["MCULE-6679816093","COc1cc(-c2cccc(N=C(C)O)c2)ccc1C(=O)N(C)c1ccncc1"]
["17676885","N#Cc1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1"]
["77287234","COC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N3C=[N+](C)C4C(O)=NC(=N)N=C43)C(OC)C2O)OC1N1C=NC2C(O)=NC(=N)N=C21"]
["MCULE-7672976299","CCC(C(O)=Nc1cccc(C(F)(F)F)c1)N(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1"]
["83448575","COc1ccc(N(C)C(=O)C2=COC(=O)C3CCCCC23)cc1"]
["92962653","NNC(Cc1ccc(Cl)c(Cl)c1)c1cc(Br)cs1"]
["MCULE-8273027559","COc1ccc(CC(=O)N2C(c3cccs3)CSc3nnc(C4CCC4)n32)cc1OC"]
["186165573","Cc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@]1(C)OC(=O)c1ccccc1"]
["MCULE-7420551733","O=C(N=c1[nH]cc(-c2c(F)cccc2F)nc1N1CCCC1)c1ccc(F)cc1"]
["MCULE-3441229041","C=CCOC(=O)c1sc(N=C(O)COc2cccnc2N=C(O)C=Cc2cccc(F)c2)nc1C"]
["30625799","COc1nc(-c2cccc(NC(C)C)n2)nc2ccsc12"]
["62117512","Cn1ccc(=O)n(CCCOc2ccccc2)c1=O"]
["30403873","Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]3c4c(O)cc(O)cc4[C@@H]2O[C@@H]3c2ccc(O)cc2)cc1"]
["42645600","CCC(C)N=C(O)c1ccc(N=C(O)C2CCCN2C(=O)C2CCN(CC(O)=Nc3cccc(C(O)=Nc4ccccc4C)c3C)CC2)cc1Cl"]
["MCULE-7592083809","COc1ncccc1-c1ccc(CC(=O)N2CCCc3ccccc32)c(F)c1"]
["195251226","C[CH-]C(=O)OC(C)[C@@H](C)c1ccccc1C.[K+]"]
["164325339","CC(=O)N1CCN(c2nnc(C)c3ccccc23)CC(O)C1"]
["13375669","Cc1ccc2cc(C(=O)N3CCCc4c(NC(=O)c5ccc(F)cc5)cccc43)[nH]c2c1"]
["7102713","N=C(O)CN(C(=O)Cc1c(Cl)cccc1Cl)c1ccccc1"]
["192676457","CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(C)c(C)c1.O=C=O"]
["96037183","CC(C(=O)CC1CC2CCC1C2)C1CNC1"]
["MCULE-2951641451","N#Cc1cc(NC(=O)Cc2cccc(F)c2Br)ccc1Br"]
["148795295","CC(=O)Cc1ccc2c(c1O)C(=O)C1=C(O)[C@@]3(O)C(=O)C(C(C)=O)=C(C)C[C@H]3C[C@H]1C2"]
["84028928","C[Si](C)(C)CC1=C([Si](C)(C)C)C1"]
["49505326","CC(C)C(=O)c1ccc(CC2CCNCC2)cc1"]
["199444688","c1ccc2cc3c(cc2c1)c1c2ccccc2ccc1n3-c1nc2oc3ccccc3c2nc1-c1ccc2c(c1)sc1ccccc12.c1ccc2cc3c(cc2c1)c1cc2ccccc2cc1n3-c1nc2sc3ccccc3c2nc1-c1ccc2c(c1)sc1ccccc12"]
["124377844","Cc1sc(=O)n(CC(=O)N2CCN=C(O)C2C(C)C)c1C"]
["59102464","O=C1CCN[C@@H]2CCCC[C@H]12"]
["MCULE-9123457850","Cc1cc(NC(=O)CCCC(=O)N2CCCC2)ccc1-c1cnn(C2CCCCO2)c1"]
["129851018","COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)c(C)c1"]
["174380801","C[C@@H](Cn1c(CN2CCCCC2)nc2ccc(C(=O)O)cc21)OC1CC1"]
["117315003","COc1cc(/C=N\\S(=O)(=O)c2cccs2)ccc1OCc1cccc(Cl)c1"]
["172340314","Cc1ccnc(Cn2c(-c3ccc(OCC(=O)N4CCC(F)CC4)cc3Cl)nc3c(OC4(C)CC4)ncnc32)c1"]
["117588881","CCC(NCCC(O)c1ccc(OC)cc1OC)C(=O)O"]
["135140940","O=C(Cc1cnn(-c2ccccc2)c1)N1CCCN(C(=O)c2ccsc2)CC1"]
["MCULE-5962987952","CCOc1ccc(F)cc1-c1cnc(N=C(O)c2cc(F)ccc2F)nc1C"]
["9246866","O=C1CSC(=S)N1/N=C/c1ccc([N+](=O)[O-])cc1"]
["118867387","Cc1csc(-c2ccc(C(=O)N(C)CC(O)C3CC3)cc2)n1"]
["191843727","C=C(C)C(=O)OCCOC(=O)C(C(=O)OCC)C(O)=Nc1ccc2c(c1)N=C(O)C2"]
["163187307","Cc1cc2ccc(OC(F)F)c(C=O)c2s1"]
["MCULE-9385353354","COCCCN=C(O)CSc1nc(O)cc(-c2cccc(Cl)c2)n1"]
["175757921","Cc1cnc(Nc2cc(Cl)c(F)c(C(F)(F)F)c2)nc1Nn1c(=O)oc2ccccc21"]
["166345506","CCn1cc(C#N)c(=O)n(CC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1=O"]
["156056227","Cc1cc(S(N)(=O)=O)c(C)cc1C#CCN=C(O)Cc1ccc(Cl)cc1Cl"]
["170368568","CN[C@H]1CCCCC[C@@H]1N=O"]
["135325034","O=S(=O)(NCCN=C(O)c1c(O)cc(F)cc1F)c1ccc(Cl)s1"]
["10786772","Fc1cccc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c1F"]
["MCULE-8620941445","CC(C)c1nc(Nc2cccc(N(C)C)c2)cc(N2CCOC(c3ccc(Br)cc3)C2)n1"]
["130514234","N#CCCCCN=C(O)CC(Cc1ccccc1)Cc1ccccc1"]
["104671954","CCC[C@@](C)(N)c1nc2ccccc2n1C"]
["19127286","COc1cccc(NC(O)=[NH+]CCN2CCN(C(=O)c3ccsc3)CC2)c1OC"]
["19749451","COC(=O)c1sccc1N1C(=O)[C@H]2C(C3=C([O-])c4ccccc4C3=O)=N[C@@H](c3ccccn3)[C@@H]2C1=O"]
["44857746","CCCCC(C)(C)C(O)=NC[C@H](O)[C@H](C[C@H](Cc1cccc(OCc2ccccc2)c1)C(C)C)N=C(O)OC(C)(C)C"]
["83499674","CC(C)C(O)=NCc1cnc(C(F)F)c(C(O)=Nc2ccc3c(c2)C(=O)N([C@@H](C)C(C)(C)C)CC3(C)C)c1"]
["147428143","Cc1ccc(C)c2sc(N3CCN(CCN=C(O)c4ccc5c(c4)OCO5)CC3)nc12"]
["16179977","COc1ccc(C(=O)NN=C([O-])[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1"]
["179671201","CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)CCCc2ccc3ccc4c5c3c2CC=C5C=CC4)cc1"]
["63106469","CCN(CC)C(c1ccccc1)P(c1ccccc1)c1ccccc1.Cl"]
["109420069","O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2ccc(F)cc2)CC1"]
["68404576","c1ccc2cc(-c3nc(CN4CCNCC4)no3)ccc2c1"]
["114686331","CNc1cnc(C(=O)Nc2ccc(C#N)c(C#N)c2)cn1"]
["179098497","Clc1ccc(N=c2[nH][nH]c3cccnc23)cc1OI"]
["47534784","CCn1cc(CNC(C)c2ccc(C)cc2)cn1"]
["98051604","OCc1cc(-c2cnco2)c(NCc2ccnc3ccccc23)cc1O"]
["54165868","CCC[C@@H](Oc1ccccc1Cl)[C@@H]1CCNC1"]
["165311008","COCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc3cccc(OC)c3n1)C2"]
["25558427","CCCn1c(=O)c2c(nc(C3CCCCC3)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n(CCc2ccccc2)c1=O"]
["61404037","CCc1c(C)sc(N=C(O)CSc2nnc(COc3cc(C)ccc3C)n2CC)c1C(=O)OC"]
["1338990","CCCN=C(O)[C@H]1CCCN(C(=O)c2cccc3[nH]ncc23)C1"]
["24179095","O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCN2CCCCC2C1"]
["47578548","CCC(CN=C(O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1"]
["54097809","OC(CSc1n[nH]c(=NCc2ccccc2)s1)=Nc1cccc(CN2CCSCC2)c1"]
["MCULE-9422233460","N#Cc1c[nH]cnc1=NC(=O)c1cc(F)ccc1-c1ccccc1F"]
["134425235","Cc1cc2occ(CC(O)=NC3(C)CCOCC3)c2cc1C"]
["139899343","CC(C)CCn1cc(C(=O)N(CC(F)(F)F)c2ccccc2)nn1"]
["170271004","Cc1cc(C(C)NC2(C)CCC2)cc(C(=O)CCN(C)C)c1O"]
["188996967","Cn1ncc(Br)c1OCCCO[Si](C)(C)C(C)(C)C"]
["6539543","COc1cccc(-c2cc(CC(O)=N[C@@H]3CCS(=O)(=O)C3)no2)c1"]
["MCULE-2015672303","COc1cc(CC(=O)N2CCc3ccccc3C2)c(-c2ccc(C)c(F)c2)cc1OC"]
["197217143","CC(C)N(CCCC(=O)O)C(=O)c1occc1N=C(O)OCC1c2ccccc2-c2ccccc21"]
["6885392","CCN(CC(=O)N(CCC#N)CCC#[NH+])[C@@H](C)Cc1ccc(OC)cc1"]
["198539230","CC.CC(=O)c1ccc2c(c1)C(=O)c1cc(C(C)=O)ccc1-2"]
["82693859","CCCCN1C(=O)C(CC2(O)CCCCC2)N=C(O)C12CCN(Cc1ccc(O)cc1)CC2.Cl"]
["16586967","C[C@H](Sc1ccc(Cl)cc1)C(O)=NCc1cscn1"]
["2050445","O=C1CCc2cc(NC(=O)c3ccc4c(c3)COC4)ccc2N1"]
["104567236","COc1ccc(OC)c(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C)no2)c1"]
["194849841","CC(O)=Nc1ccc(C(=O)CC(O)C(C)CC(C)C(O)C(C)C=CC=CC=CC(O)CC(=O)O)cc1"]
["175358386","CC.CCCc1ccc(-c2cc(SC)ccc2C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1"]
["120038498","CCS(=O)(=O)CCn1ncnc1CNC1CC1"]
["65580608","Cc1cc(C(=N)N)ccc1SOON"]
["50143149","CN=C(O)[C@@](C)(N[C@@H](C(=O)OC)C(C)C)c1ccccc1"]
["197248720","CC(CCCN=C(O)C1OCCC1CN=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O"]
["MCULE-3956785058","CCOc1cc(OCC)cc(C(=O)N2CCN(CCOC(=O)C(C)(C)C)CC2)c1"]
["MCULE-7602954293","COc1ccc(-c2ccc(N=C(O)C3CCC(C)CC3)c(F)c2F)cc1OC"]
["MCULE-5920644036","CC(C)(C)OC(=O)N1CCCC(NC(=O)c2c(F)cncc2F)CC1"]
["81165340","O=C(CCN=C(O)C=Cc1ccco1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1"]
["94898470","CCCNc1cncc(NCCn2ccnc2)c1"]
["155435796","N#Cc1nc(Cl)cc2nc(CN=C(O)CN=C(O)OCc3ccccc3)[nH]c12"]
["183589394","Cc1cc(C)cc(C(CC(C)C)N=C(O)c2cc(COC3C=CC=CC3(C)F)ccc2CCC(=O)O)c1"]
["1990729","CCCN(C(=O)c1ccc(Cl)cc1)[C@H](C(O)=NCS(=O)(=O)c1ccc(C)cc1)C1CCCCC1"]
["88344076","COCCNCC1CCOC1C1CCCO1"]
["161347924","CCC1=CCN(S(C)(=O)=O)C1"]
["22849381","CC(Sc1nnnn1Cc1ccco1)C(O)=NCc1ccccc1"]
["88180834","CCCCCC(CC)NCC(CC)CC"]
["MCULE-8776706649","COc1ccc(-c2cc(F)ccc2C(=O)Nc2cc(=O)n(C)c(=O)n2C)c(OC)c1OC"]
["15717610","C=CCN1C(=O)S/C(=C\\c2cc(Br)ccc2OCC(=O)[O-])C1=O"]
["4966183","COc1ccc(N2C(=O)C[C@H](N(C)CC(O)=[NH+]c3ccccc3Cl)C2=O)cc1"]
["167270864","COc1ccc(/C=C(/F)S(=O)(=O)c2ccccc2)cc1"]
["85215394","CCC(N)(COC)Cc1cc(F)cc(Br)c1"]
["58224825","Cc1cccc2sc(N(CC3CCCO3)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc12"]
["MCULE-6521484813","CCc1nc2ccc(C(=O)N3CCC(C(O)=Nc4cc(Cl)cc(Cl)c4)CC3)cc2[nH]1"]
["85282114","O=C(Nc1ccc(F)cc1I)c1cc(Cl)ccn1"]
["58685454","CCNC1COCC1C(O)=NC(C)C1CC1"]
["159481440","Cc1cnc(NC(S)=NC2CCN(Cc3ccccc3)CC2)cn1"]
["MCULE-8540166286","CN(CC1CCN(C(=O)c2cnccn2)CC1)C(=O)Cc1ccccc1F"]
["7366140","COc1cccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4ccccc4F)CC3)nn2)c1"]
["95709691","CCNC(C1CCCC(C)C1)C(OCC)C(C)(C)C"]
["9548331","C[C@@H]1CCCN(C(O)=Nc2cccc3c2CCCC3)C1"]
["168045365","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"]
["42044185","COc1c(O)cc(Cc2c[nH]c(=N)[nH]c2=N)c2c1OCC=C2"]
["7041880","Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1"]
["3825414","CCCCN(C(=O)CN(C)C(=O)c1ccc(Br)s1)c1ccccc1"]
["98655799","C[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1"]
["180065696","CNCCOc1cc(C(C)(C)SC)ccn1"]
["157176366","CCO[C@@H]1C[C@@H](N=C(O)N2CCC[C@](C)(CC)C2)C12CCOCC2"]
["50987088","COc1ccccc1-c1nnc(S)n1/N=C\\C=C\\c1ccccc1"]
["182864655","COc1ccc(C(N=[N+]=[N-])c2cc(Cl)nc(-n3ccnc3)n2)cc1OC"]
["68902087","OCC(CO)NCCc1ccncc1"]
["149403948","Cc1cc(NC2=C(Cl)C(=O)N(c3ccc(OCC(C)C)cc3)C2=O)ccc1Br"]
["162615372","CC(=NO)C(=O)c1cccnc1"]
["8661579","Cc1cc(=NC(=O)c2cc3cc(Cl)ccc3o2)[nH]o1"]
["66024392","CCC(CC)C(O)=Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1"]
["162975772","O[C@H]1[C@@H]2[C@@H]3C[C@H]4[C@H]5[C@@H]3C[C@@H]2[C@H]5[C@@H]14"]
["82447490","CCC(C)N=c1[nH]c(C)c(-c2nc3c(C4CC4)nccc3s2)c(=NC2CC(CS(=O)(=O)CC)C(O)C2O)[nH]1"]
["22314495","Cc1cn2[nH]c(=N[C@H](C)c3ccc(NC(O)=NC4CC4)cc3)sc2n1"]
["177416907","C=CC(=O)N1CCCC(N2C=C(c3ccc(Oc4ccc(F)cc4)cc3)C3C(N)NN=C(O)C32)C1"]
["155886383","C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(C(F)(F)F)cc(C(F)(F)F)n2C)N1"]
["29262946","COc1ccc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)ccc2c1.Cl"]
["61734589","CC(C)CC1(C)N=C(O)N(Cc2cccc(F)c2F)C1=O"]
["42590496","CCCOCCC(=O)N1CCC(CC)(C(=O)O)CC1"]
["51526291","CCOc1ccc(Nc2ncnc(Oc3cccc4ccccc34)c2N)cc1"]
["52087390","CC1CNC(C(=O)N2CCC(N3CCCC3)C2)CN1"]
["127476067","CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NC1CCCC1(C)C"]
["MCULE-9299545347","CCC(c1ccc(OC)cc1)n1nc(C)c(C(=N)O)c1N"]
["56138649","C#Cc1cccc(N=C(O)CCC(CCN)C(C)C)c1"]
["15939137","COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(O)=Nc2cc(Cl)ccc2Cl)cc1OC"]
["51865934","O=C(COC(=O)C1(c2ccccc2)CC1)N1CCN(c2cccc(Cl)c2)CC1"]
["MCULE-4784949503","Cc1cccc(C(O)=NC(CSCc2ccccc2)C(=O)N2CCC(N=C(O)OC(C)(C)C)CC2)c1"]
["91400768","O=C(O)COc1ccc(-c2ccc(OCC(=O)Oc3ccc(-c4ccccc4)cc3)cc2)cc1"]
["2026897","Cc1ccc(-c2cncc(C(O)=N[C@H](C)CCc3ccccc3)c2)cc1"]
["5931099","NS(=O)(=O)c1ccc(CCN=C(O)COC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1"]
["74864751","CN(C)CC(=N)C1CCNCC1"]
["140122583","CC(NS(C)(=O)=O)c1cccc(N2CCCC2)c1"]
["133681387","CCC(CSC)N(C)S(=O)(=O)c1sc(C)nc1C"]
["MCULE-1791351553","Cc1cc(C)cc(N=C(O)C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1"]
["61134105","COc1ccccc1C(=O)N=C(O)COC(=O)c1oc2c(ccc3ccccc32)c1C"]
["58234177","COC(=O)c1cccc(Nc2oc3cc(=O)ccc-3cc2C(=O)Nc2ccccn2)c1"]
["145253466","COC(=O)C(c1ccccc1)C(C)CCCCN"]
["200119241","N#CC1(N=C(O)[C@@H](N)Cc2nc3ccc(Br)cc3o2)CC1"]
["95107987","C=C(C)C(=O)c1cc2ccc(F)cc2s1"]
["MCULE-6895552136","COc1cc(N=C(O)c2ccc3nccnc3c2)cc(-c2ccc(CN3CCOCC3)cc2)c1"]
["146781819","CCn1cc(CN2CCCC(C(O)=NCCN)C2)cn1.Cl"]
["7415023","CC(C)c1ccc(C(O)=NC(S)=Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1"]
["19669306","C[C@H]1c2cc3c(-c4ccc(F)cc4)coc3cc2OC(=O)[C@H]1CCC(O)=NCCc1cnc[nH]1"]
["136044508","NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)o1"]
["21559010","CCc1noc(CN(C)C(O)=[NH+]CCc2cn3ccccc3n2)n1"]
["169050529","COc1ccc(C2(C)N=C(S)NC(N)=C2C#N)cc1OC"]
["135110342","COC(C)C(O)=Nc1ccc(Br)cc1-c1nc(C2CC2)no1"]
["MCULE-1985779187","CCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Br)cc(Br)c1O"]
["MCULE-4897407935","O=C(CCC(=O)c1ccccc1)Oc1cccc(NC(O)=NC2CCCCCC2)c1"]
["105804930","CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1"]
["149531973","CC(O)CN=C(O)CCCN=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1"]
["194726562","[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O"]
["27932337","Cc1ccc([C@H](C)Nc2ncnc3c2ncn3[C@H]2CC(O)[C@@H](CO)O2)cc1"]
["198825148","NC1CC2(C1)CC(NCc1ccc3c(c1)C(=O)N(C1CCC(O)=NC1=O)C3)C2"]
["117299472","CCOC(=O)c1c(N=C(O)c2sc3[nH]c(CN(C)C)nc(=O)c3c2C)sc(C(=O)N(C)C)c1C"]
["125049173","CCc1cccc(C)c1N=C(O)C(C)N1CCC2(CC1)N=C(O)N(C)C2=O"]
["103446600","Cc1nc2cc(N[C@@H](C)C(=O)N3CCCc4ccccc43)ccc2o1"]
["MCULE-3717614135","COc1nccc(-n2nc(CBr)c3c2CC2CC32)c1F"]
["21684462","C[C@H](Sc1nncs1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1"]
["174595313","CC1=CSC(C)N1C.O=S(=O)(O)O"]
["11585682","C[C@@H](N=C(O)c1ccccc1N=C(O)C1CCN(C(=O)c2ccco2)CC1)c1ccccc1"]
["176660394","CC.COC1CC2(C)C(=O)CCC2C2CCC3CC[C@H](C)CC3(C)C12"]
["104544781","CN[C@@H]1CCSc2c(F)cccc21"]
["60499204","CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(-c3cccnc3O)c3cc(C(F)(F)F)ccc3n2Cc2ccc(OC(F)F)cc2)c1"]
["172796980","COc1cccc(NCC(=O)C2(n3ccc4c(Cl)cccc43)C=CC=CC2)c1"]
["178612422","C=CC(=C)CC1C2CC3CC(C2)C(=O)OC1C3"]
["22539990","C[C@@H](N=C(O)c1cc[nH]c1)[C@H](C)N1CCOCC1"]
["MCULE-8526271899","CCN1CCN(c2ccc(C(=O)Nc3c(-c4ccnn4C4CCCCO4)cc(F)c(F)c3F)cc2)CC1"]
["189291894","BC1(CC)CC(BC2CCCCC(BC3CCCCCCC3)CCC2)CCCC(BC2CCCCCCC(C)(C(CC)CC)CCC2)C1"]
["154492488","C=CCOc1ccc(N=C(O)C(=O)N/N=C/c2cc(Br)c(OCC(O)=Nc3cc(Cl)ccc3C)c(OC)c2)cc1"]
["137157843","Clc1cccc(N2CCN(C3CCC3)CC2)c1"]
["162462661","CC(C(=N)O)N1CCC2CCCC21"]
["MCULE-1667182867","COCCCN=C(O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)C1c1ccccn1"]
["67095170","O=C(CNC1CC1)N1CCSc2ccccc21"]
["MCULE-5970796240","CCCCNC(=O)c1cc(-c2ccnn2C2CCCCO2)ccn1"]
["125936639","Cc1c(Cl)cccc1N=C(O)c1ccc(F)cc1C(F)(F)F"]
["33846702","Cc1cc(CN2CCCCC2C(=O)O)sc1Cl"]
["141790890","COc1cccnc1N(C)C(=O)CCOc1c(C)cccc1C"]
["22664819","Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1NC2c1cccc(F)c1F"]
["167535442","Cc1cc(-c2cnn(CC3(C)CCCC3)c2)c(-c2ccc3c(c2)C(=O)N=C3)nc1Cl"]
["186069600","CC[C@@]1(n2cnc3c(O)nc(=N)[nH]c32)OC(CCO)[C@@H](O)[C@H]1F"]
["152887877","CCOc1cc(/C=N\\N=C(O)CNc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1"]
["30317781","CCC(N)(CC)C(=O)OC1CCN(c2ccc(/C=C(\\C#N)c3ccc(OC)c(OC)c3)s2)CC1"]
["195189799","CCN(CC)c1cc(OC)c(Nc2ncc(Cl)c(=Nc3cc(N=C(O)OC(C)(C)C)ccc3S(C)(=O)=O)[nH]2)cc1N"]
["161349006","Cc1ccc2c(c1)CCC(C(O)CNCC(O)C1CCc3cc(C)ccc3O1)O2"]
["23221800","CCc1[nH]nc2c1C1(C(=O)N(Cc3cccc(OC)c3)c3ccccc31)C(C#N)=C(N)O2"]
["148243872","O=C(O)[C@@H]1CCCN1Cc1ccc(OCc2ccc(F)cc2)cc1"]
["150019584","C#CC(C)C=NCCC"]
["28476536","N=c1[nH]c(=N)n(CCCOC2=CCC(CN3CCCCC3)=CC2)[nH]1"]
["5937699","CCCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl"]
["MCULE-9818066500","Cc1ccc(C=CC(=O)Oc2ccc(NC(O)=NC3CCCCCCC3)cc2)cc1"]
["MCULE-9793774543","CCc1cccc(OC2CCN(C(=O)C(C)N=C(O)c3cc(Cl)ccc3OC)CC2)c1"]
["14899173","CC[C@]1(c2ccc(F)cc2)N=C(O)N(CC(=O)N2CCCc3ccccc32)C1=O"]
["180468408","Cc1ncc(C(O)=NC2=CCC(CN3CCN(C)CC3)C(C(F)(F)F)=C2)cc1C#Cc1c(=N)[nH]cc2ccc(F)cc12"]
["62803018","CC(=O)N1CCC(C(=O)OCc2ccc(Cl)cc2Cl)(c2ccccc2)CC1"]
["181027256","CCc1cnc(N(CCc2csc(SC(C)(C)C(=O)[O-])n2)Cc2ccc(-c3cccc(C#N)c3)cc2)nc1"]
["23632998","CC1(C)OB(c2cc(C#N)cs2)OC1(C)C"]
["MCULE-2652368098","COC(=O)C1CCC(C(O)=Nc2cccc(N3CCOCC3)c2)CC1"]
["199732713","CC(=O)SC1CC(=O)N(c2cc(C)ccc2C#N)C1"]
["189988150","CC(C)(C)OC(=O)N1C[C@H]2CC(N3CCC(n4cc(-c5cc(C(=O)Nc6ccc(OC(F)(F)Cl)cc6)cnc5N5CC[C@@H](O)C5)cn4)CC3)C[C@H]2C1"]
["45460334","Cc1ccc(N=C(O)c2cccc(N=C(O)CN3CCC(C(O)=NC(C(O)=Nc4cc(C(=N)O)ccc4C)C(C)C)CC3)c2C)c(F)c1"]
["83429274","COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccc(OC)nc3C3CC3)C2)c1"]
["125263647","CC(C)CCCN=C(O)CNC(C)c1nnc2ccccn12"]
["27254316","O=C1OCC2(CO1)CC1C=CC2C1"]
["62155563","NC(O)c1cccc2ccccc12"]
["197606792","CN(C(=O)OC(C)(C)C)[C@H](CCC(=O)OC(C)(C)C)C(=O)O"]
["176421559","COC(=O)CCCC(c1ccccc1)C(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1"]
["154755172","CCn1c(C(=O)N2CCCCC2COC(=O)N(C)C)cc2ccccc21"]
["128340662","CC(C)OCCCN=C(O)C1CCN(C(=O)c2cncc(F)c2)CC1"]
["126447488","CCc1nc2cc(NC(=O)C(=O)NCCc3ccc(OC)cc3)ccc2o1"]
["90615283","COC(=O)c1cc(OCc2ccccc2)c2c(c1)N1CC3C(N3C(=O)OC(C)(C)C)C1(O)C2(C=O)COC(C)=O"]
["28489492","CC(C)(C)OC(O)=NC1CCCCCCC/C=C\\[C@@H]2C[C@@]2(C(O)=NS(=O)(=O)c2ccccc2Cl)N=C(O)[C@@H]2CCCN2C1=O"]
["154495745","CCCOc1ccc(/C=N/N=C(O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1"]
["MCULE-9482099723","O=C(OCCCc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1"]
["165833634","CC(=O)c1ccccc1C[B-](F)(F)F"]
["123530641","OC(=Nc1ccc(OC(F)F)c(F)c1)c1c(F)c(F)cc(F)c1F"]
["62332856","Cc1nonc1Cn1c(C(=O)O)cc2ccccc21"]
["16861499","COc1ccc(-c2nc(CC(O)=[NH+]C[C@H](c3ccco3)N3CCCC3)cs2)cc1"]
["129906158","N=c1nc(CNC(Cc2ccccc2)c2cccs2)[nH]c(=N)[nH]1"]
["498708","COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)C)CC(=O)N1[C@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["MCULE-8528265577","CCCCCC(CC)NC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCc2cnc[nH]2)C1=O"]
["68294347","Cc1c(CN2C(=O)C(C)(CC(C)C)N=C2O)cccc1[N+](=O)[O-]"]
["52036329","COC(=O)C1=C(C)N=C(O)N[C@H]1c1ccc(OCC(O)=N/N=C\\c2cc(Br)c(Br)o2)c(OC)c1"]
["74832104","Cc1cccc(OCCCC(=O)N2CCCc3c(-c4cnn(Cc5cccc(C(O)=NCc6nn[nH]n6)c5)c4)cccc32)c1C"]
["MCULE-8042649398","COc1cccc(-c2ccc(C(=O)N3CCOCC3)cc2)c1C(=O)Nc1ncccn1"]
["117352648","CCCCN1C(=O)C(SC(C)C)=C(c2ccc(OC)cc2)C1=O"]
["180671082","CCCC1[C@H](O)[C@](C)(I)O[C@]1(C)O"]
["90527234","CC1NC(c2ccc(C(=N)N)cc2)C2C(=O)N(Cc3ccccc3)C(=O)C12"]
["69284034","CCN(CC)C(=O)c1ccc(NC(=O)C=Cc2ccccc2)cc1"]
["13304279","CC[C@H](C)N(CC(=O)N=c1cc(C)o[nH]1)C(=O)c1ccc(Cl)cc1"]
["26416043","CON=C(C(=O)OC)c1ccccc1Cc1cc(C(F)(F)F)nn1C"]
["83001892","CCC(C)(C)C(=O)N1CCC(N(CC2CCCCC2)c2ccc(C#N)c(Cl)c2)C1"]
["19927290","C=C(C=S)C(=O)OCCN"]
["63436940","Cc1ccccc1N=c1ccc2c(-c3ccccc3C)c3ccc(Nc4ccccc4C)cc3oc-2c1"]
["MCULE-4314753421","Cc1nnc(N2CCN(C(=O)CN3C(=O)c4ccc(C(=O)O)cc4C3=O)CC2)n1C"]
["52432050","CC1=C/C(=C/C(C)CCC/C(C)=C/CC/C(C)=C/CCc2ccoc2)OC1=O"]
["26957949","C1=CC=C2C=CCC[C]2C=1"]
["97529890","O=C(NN1C(=O)CCC1=O)c1cccc(C(O)=NN2C(=O)CCC2=O)n1"]
["104515916","COC(=O)[C@@H](C)C(=O)c1ccc(C)cc1"]
["183871613","Cc1c(S(=O)(=O)O)cc(CNN=[N+]=[N-])cc1S(=O)(=O)O"]
["172501462","c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1"]
["62224722","C/C=C/C(=O)[C@H]1C(C)C=CCC1(C)C"]
["66607148","CC(C)N(CC(=O)O)CC(O)=NC(O)=NC1CCCC1"]
["16804492","CCCCN(CCOC)C(O)=Nc1ccc2nc(C)oc2c1"]
["116994277","CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)c2ccc(C(F)(F)F)nc2C)Cc2cc(-c3cccnc3)ccc21"]
["24693717","Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c(ncn3nc(-c4ccccn4)nc13)O2"]
["1722622","OC(CN=C(O)Nc1cccnc1-n1cncn1)=NCC(F)(F)F"]
["103873563","Cc1ccc(CN=C(O)CSc2nnc(COc3ccc(C)cc3C)n2CC(C)C)cc1"]
["84594299","N=C(O)c1ccc(N)cc1NCC1CN2CCCC2CO1"]
["MCULE-2870362594","CCOc1ncccc1-c1ccc(C(=O)Nc2cc(OC)nc(OC)n2)cc1"]
["MCULE-4617545961","Cc1ccc2nn(C)cc2c1-c1cccc(O)c1C=O"]
["34327007","N#CC1(C#N)[C@@H](c2ccccc2)CC2(C[C@H]1c1ccccc1)OCCO2"]
["MCULE-5338709677","N=C(O)c1ccccc1-c1ccc(F)cc1N=C(O)c1cc(F)ccc1F"]
["13839587","Cn1c(CCNC(=O)c2ccc(Cl)s2)nc2cccnc21"]
["123177868","CCCCCCC(C)NC(=O)C(O)=Nc1cc(C(C)(C)C)nn1-c1ccccn1"]
["20430441","COc1ccc(Br)cc1S(=O)(=O)N1CCN(CC2CC2)CC1"]
["175676144","O=c1nc(O)ccn1[C@@H]1O[C@](CF)(COP(=O)(O)O)[C@@H](O)[C@]1(O)CF"]
["50854821","CN1CCC2(CC1)[NH2+]c1[nH+]c(SCc3ccc(Cl)cc3)nn1C1=C2CN(C)CC1"]
["192493317","CC(C)OC(=O)C(Nc1ccccc1)(C(C)C)C(C#N)c1ccc(F)cc1.O=C=O"]
["123555479","COC(C)C(=O)OCC1CC(=O)N(c2ccccc2)C1"]
["168017860","CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCC/C=C\\CCCCCCCCCCC"]
["MCULE-3233827483","CCCCN(C(=O)c1ccc2c(c1)CCO2)c1ncc(-c2ccc3cnn(C)c3c2)cn1"]
["42612091","C(=N\\N(c1ccccc1)c1ccccc1)\\c1ccc2c(c1)Sc1ccccc1N2CCCCCCN1c2ccccc2Sc2cc(/C=N\\N(c3ccccc3)c3ccccc3)ccc21"]
["166817914","C#C/C(F)=C\\CC(C)(C)c1oc2c(cc(-c3cccc(CNC(C)(C)C)c3)c3[nH]ccc32)c1C(O)=NC"]
["116030641","CCN(CC)c1ccc(NC(=O)C2CCC(C(O)=NC(C)C)CC2)cc1"]
["47417454","CCCN=C(O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2"]
["139089272","C=CCOc1ccc(CN(CC(O)=Nc2c(C)n[nH]c2C)C(C)(C)C)cc1"]
["MCULE-4303902120","CCOC(=O)c1cc(O)nn1-c1cccc(OC(C)C)c1"]
["176360591","COc1c(C#N)ccc(N2C(=O)N(c3ccc(C(=O)O)nc3)C(C)(C)C2=O)c1F"]
["62206014","N#Cc1ccc(-c2cccc(OCCNC(=N)N)c2OCCNC(=N)N)c(OCCNC(=N)N)c1OCCNC(=N)N"]
["138230932","CCC(C)N(C)CCNC(=O)c1cc(Br)cs1"]
["61222835","Cc1cccc(N2CCN(C(=O)CCCNc3ccccc3[N+](=O)[O-])CC2)c1C"]
["69582423","Cc1ccc2c(c1C)N(C(=O)OC(C)C)CCCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1NNNN1"]
["MCULE-4667156111","C=CCOc1ccc(NCc2ccccc2C)cc1-n1cnnn1"]
["116397105","CCN=C(NCC1CCN(CCOC)CC1)NC1CCN(c2cccc(Cl)c2)C1.I"]
["167707019","CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC([O-])=NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCCCC/C=C\\CCCCCCCC"]
["55267550","Cc1ccc(C(=O)N2CCC(C)CC2)cc1N=C(O)CCN=C(O)C1CCN(C(C)C(O)=Nc2cc(C(=N)O)ccc2Cl)CC1"]
["185006540","CC1=C(C)C([Si](C)(c2ccccc2)C(C)C)C(C)=C1C"]
["32056904","COC(=O)[C@H](O)[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1CF"]
["92669698","CSCCC1CCCCC1=O"]
["66799484","C#CCCCCCCCC/C=C/CCOC1CCCCO1"]
["165743187","CCOC(=O)C1CC(c2ccc(F)c(F)c2)NN1"]
["159906699","O=S1(=O)CCCN1CCN1CCN(S(=O)(=O)c2ccccc2)CC1"]
["MCULE-8083911914","CSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(O)=NC3CCCC3)cc2)cc1"]
["110673847","CN1C(=O)Cc2cc(NC(O)=NC[C@@H]3CCCO3)ccc21"]
["76845018","CCOC1OC(=O)CC1N=C(O)C1CCC2CC=CCC(NC(=O)O)C(=O)N21"]
["MCULE-2916449274","Cc1ccc(C(=O)N2CCCCC2CCN(C)C)c(-c2cccnc2F)c1"]
["79974426","COc1ccc(C2C(Cl)C(=O)N2NCc2nc3ccccc3c(=O)n2NC(=O)c2ccncc2)cc1"]
["195805425","CC(C(=O)C=[N+]=[N-])c1ccc(C2=CCCCC2)cc1"]
["69128976","C=CCN=C(O)Nc1cccc(CS(=O)CCOC)c1"]
["85940994","CNC(C)(C#N)CCCCSc1ncns1"]
["MCULE-7162639500","CC(c1ccccc1)S(=O)CC(=O)Nc1ccc(S(N)(=O)=O)cc1"]
["MCULE-8435403246","CC(=O)N1CCC(C(=O)N2C3CCC2CC(=O)C3)CC1"]
["69569388","CNC(=O)c1nccc(CN)c1OC1CC1"]
["MCULE-5550122557","CCCCOc1ccc(C(O)=NCc2cccc(N3CCCC3=O)c2)cc1OCC"]
["174929796","[57Ti]"]
["MCULE-4187886952","Cc1ccc(C(=O)N=c2nc(N(C)C)[nH]n2-c2ccccc2Cl)cc1"]
["MCULE-9433581455","CCOC(=O)c1c(C(C)C)nn2c(N)cc(-c3c(F)cc(OC)cc3F)nc12"]
["152125627","Cc1ccccc1CN=C(O)c1ccccc1N=C(O)[C@@H]1CC(=O)N(c2ccccc2C)C1"]
["108379759","CN(C)C(=O)N1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1"]
["64771845","CCCCCCCC1CCC(CCc2ccc(-c3ncc(CCC)cn3)cc2)CC1"]
["MCULE-9636830579","COc1ncc(C(=O)N=c2nc[nH]cc2C#N)cc1-c1c(F)ccc(F)c1F"]
["181466980","CCCC(=CN=[N+]=[N-])Cc1cc2ccccc2[nH]1"]
["186222705","OCCCc1cccc2c1C=C(c1ccccc1)CC2"]
["78741485","COCC1C[C@@H](c2ncc(-c3ccc4c(c3)COc3cc5c(ccc6nc(N7C8C[C@@H]8C[C@H]7C(=O)[C@@H](c7ccccc7)N(C)C(=O)O)[nH]c65)cc3-4)[nH]2)N(C(=O)C(N=C(O)OC)C(C)C)C1"]
["165515085","CCOC(=O)CCCN=c1ccc(Cl)c(C#N)[nH]1"]
["175133976","COC(O)=NC(CCC=CC(=O)N(C)C)C(O)=Nc1cccn(Cc2nc3cncc(CC(C)C)c3[nH]2)c1=O"]
["197418876","Cc1ccc(-n2ccnc2)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1"]
["12969079","COC(=O)C1CCN(C(=O)CC[C@@]2(Cc3ccc(SC)cc3)CCC(O)=N2)CC1"]
["87438372","Cc1cccc(C)c1C1OCCC1CNC(C)C"]
["25764217","[CH](CCCC1CCCNC1)C1CCNCC1"]
["78303891","CC1=CC([N+](=O)[O-])=CC/C1=N/C(=O)c1ccccc1C=O"]
["53022329","CC(C)NCC(=O)N1CCC2(CCCCC2)CC1"]
["MCULE-5297651586","CN(C)CCCn1cc(OCC(=N)O)c(=O)cc1CN1CCC(C(=N)O)CC1"]
["30547982","CN(C)C1CCN(c2cccc(CCN=C(O)C3CC3c3ccc(F)cc3)c2)C1"]
["176449069","CC1Sc2ccccc2-c2cc(Br)ccc21"]
["4538772","CCS(=O)(=O)Nc1ccccc1C([O-])=NCc1ccnc(-[n+]2ccc[nH]2)c1"]
["10397856","Cc1c(C(=O)N2CCc3ccccc3C2)sc2nc3n(c(=O)c12)CCCC3"]
["148987322","C#CC1CC2CC2CC1C(=O)O"]
["154984128","C[C@H](CCC(C)(C)C)N=C(O)[C@@H]1CCCNC1"]
["179785619","COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C(=O)CCCCC(=O)OCc1ccccc1"]
["121693092","CCN1CCCC(N=C(O)N2CCN(CC(O)=Nc3ccccc3F)CC2)C1"]
["MCULE-7768986837","CCCCCCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2cc(C)ccc2C)C1=O"]
["84206126","CC1Oc2ccc(N=C(O)c3ccccc3)cc2N(CCCc2ccccc2)C1=O"]
["146007793","CC(C)[C@@H](N=C(O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(=O)O"]
["MCULE-3517384062","O=C(c1cccn(Cc2ccccc2F)c1=O)N1CC(O)CC1C(O)=NCC1COc2ccccc2O1"]
["44365768","CCOc1ccc(OCC)c(N=C(O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)c1"]
["144034231","N#Cc1cccc(C=CC(=O)N2CCN(CC(F)(F)F)CC2)c1"]
["179326125","CCC(C)(C)CC1CCC(C)C1"]
["28220592","CCN(CC)C(=O)CCc1cccc(Oc2nc(Nc3ccc(OCC4CCCN(C)C4)c(F)c3)ncc2C(O)=Nc2c(C)cccc2C)c1"]
["60883262","O=C1[C@@H]2CCCN2C(=O)N1c1ccc(C(F)(F)F)cc1"]
["122609550","CCOC(=O)c1ccc(N=C(O)Cc2nc(-c3ccccc3)oc2C)c(O)c1"]
["79778340","CCCCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCC"]
["62961474","Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N=c3cc(C)n(Cc4ccc(Cl)c(Cl)c4)[nH]3)cc12"]
["165236997","CC(C)(C)OC(=O)N1CCN(CCCCOc2ccc3ccc(O)nc3c2)CC1"]
["123632473","OC(CCc1ccsc1)=NC1(c2nccs2)CCCC1"]
["198166807","CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2c(-c3nccn3Cc3ccccc3)nn(PI)c2c1F"]
["97303218","Cc1cc(=O)n2nc(O)c(-c3nnc(C)s3)c2[nH]1"]
["114005001","Cc1cccc(C(=O)O)c1NCc1ccccc1[N+](=O)[O-]"]
["46537070","CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cccs2)cc1"]
["68018079","O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2ccc(Br)cc2)o1"]
["43876375","Cc1cc(C)n(Cc2ccc(C(=O)NCc3nnc(O)c4ccccc34)cc2)n1"]
["173065452","CC(=O)C(O)Cc1ccc(C(=O)Cl)cc1"]
["MCULE-1688113582","O=C(Nc1ccc(N2CCOCC2=O)cc1)c1ccc(-c2ccccn2)cc1F"]
["5391010","OC(=Nc1ccc(SCc2cccnc2)cc1)c1ccc[nH]1"]
["12330318","O=c1oc2ccc(Br)cc2cc1-c1csc(=NC2CCCCC2)[nH]1"]
["162406852","CCC(C)(C#N)c1cccnn1"]
["91866257","CN(CCN)Cc1cncc2ccccc12"]
["59450880","CN(C)CCCN(C)S(=O)(=O)c1ccc(CO)s1"]
["2399872","CN=C(O)N=C(O)[C@@H](C)N(C)Cc1ccccc1C(F)(F)F"]
["122258958","CCc1ccccc1S(=O)(=O)N(CC#N)CC(=O)OC"]
["MCULE-1858725541","Cc1ncncc1C(=O)N(C)CC1CCCN(C(=O)Cn2cccn2)C1"]
["182022909","[N-]=[N+]=Nc1c2c(cc(C3CCC3)c1-c1c(-c3ccccc3)cccc1-c1ccccc1)-c1ccccc1C2"]
["104374535","C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1"]
["14346968","Cc1cccc(C(O)=NN=C(O)N(C)Cc2c(F)cccc2Cl)c1"]
["106626374","COc1c(F)ccc(C(O)=N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1F"]
["63868259","CC(C)(C)/C=C/CNC(C)(C)C"]
["132573628","Cc1cscc1C(=O)OC(C)C(C)(C)C#N"]
["102433645","COc1ccc(OCCNC(=O)c2ccc(CN(c3cccc4ccccc34)S(C)(=O)=O)cc2)cc1"]
["MCULE-2159131042","Cc1cc(-c2cnc(N(C)C)nc2)cc(C)c1C(O)=Nc1ncc(C#N)cn1"]
["134298183","CCCN(Cc1ccc(Oc2ccccc2)o1)C1CCS(=O)(=O)C1"]
["142272050","O=S(=O)(CC(O)=NCCOc1ccccc1)Cc1cc(-c2ccco2)on1"]
["107886351","Cc1cnc(CN(C)[C@@H]2CCN(Cc3nccn3C)C2)o1"]
["194609126","CC[C@@H](COc1ncc(C(F)(F)F)cc1Cl)Nc1ncnc2ccccc12"]
["34141255","COc1ccc(C(OC[C@H](CO)O[C@H](CN2CCN(C(=O)CCCCCOc3cc(-c4ccccn4)nc(-c4ccccn4)c3)CC2)n2ccc(O)nc2=O)(c2ccccc2)c2ccc(OC)cc2)cc1"]
["136581338","Cc1ccc2c(c1)C(=O)N(C(C)C(O)=NCC(O)Cc1ccccc1)C2=O"]
["81957761","Cc1ccc(C=CC(=O)O)cc1C(=O)N1CC2CCC1C2"]
["170994460","CC(C)c1cc(=N)[nH]n1C1CCCCO1"]
["109462909","CCOc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OCC"]
["194684500","[B+]=C1C(=N)NC(C(F)(F)F)=C([S-])C1C"]
["87366598","CN(CC(C)(C)O)C(=O)c1cccc2c1OCCN2"]
["143713095","CNS(=O)(=O)c1ccc(C(=O)N2CC(C)Oc3cc(C)ccc32)cc1"]
["MCULE-2385381032","CC(C)c1ccc(-c2ccc(CCC(=O)Nc3ccc(F)cc3)cc2)cc1"]
["175996432","C=C(C)C(=O)OCCOC(=O)c1cc(C)c(N=c2ccc3c(-c4ccccc4S(=O)(=O)NC)c4ccc(Nc5c(C)cc(C(=O)O)cc5C)cc4oc-3c2)c(C)c1"]
["172045140","Cc1cccc(F)c1Oc1ccc(N)cc1"]
["175855316","C=C(C)C(=O)OCOCOCOCOC(=O)C(=C)C"]
["106831489","C=C(C)Cn1c([C@@H]2CCCNC2)nc2cc(OCC)ccc21"]
["177922323","N=C(O)c1cccc(C=Nc2ccc(C3CNCCC3(F)F)cc2)c1N"]
["18182772","O=C1C[C@@H](c2noc(-c3n[nH]c4ccccc34)n2)CN1Cc1ccc(F)cc1"]
["9752669","CC1(C)CC(=O)C2=C(C1)[C@H](c1cccc(C(F)(F)F)c1)Nc1ccc3ccccc3c12"]
["110424678","Cc1cc(S(=O)(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)c(F)cc1F"]
["154992655","C[C@@]1(C(=O)C2CCOCC2)CCCS1"]
["170000393","Cc1ccc2c(ccn2CC(C)(C)N)c1F"]
["146194738","CCc1ccc(C(=O)N(C)CC(C)(C)CN)cc1S(=O)(=O)N1CCOCC1.Cl"]
["23487495","CC(=O)c1cc2c(cc1N=C(O)C(C)Oc1ccc(Cl)cc1C)OCO2"]
["117836881","Cc1ccc(NC(=N)NCc2cc(Br)c3c(c2)OCO3)cc1C"]
["184754801","CCCCc1ccnc(-n2c3ccccc3c3ccc(Oc4cc(C(C)C)cc(-n5nc(C)c(-c6c(C(C)C)cccc6C(C)C)c5C)c4)cc32)c1"]
["MCULE-7280947096","O=C(CCCCCC(=O)N1CCCNCC1)N1CCCC1"]
["58086514","CC[C@H](C)N1C(=O)/C(=C/Nc2ccccc2C(=O)O)C(O)=NC1=S"]
["MCULE-2098605010","Cc1cc(C(O)=NCCN2CCC(Cc3ccccc3)CC2)c(F)c(-c2c(C)noc2C)c1"]
["88262836","C[C@H]1CNCCN1C(=O)c1ccc2cc(Br)ccc2c1"]
["108783941","COc1cc(-c2nnc(N=C(O)/C=C\\c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC"]
["184088712","CC(=O)Oc1c(C)n(C(=O)C2CCC2)c2cc(F)c(O)cc12"]
["62250504","COc1c(C)cnc(COc2c(C)ccc(N)c2C)c1C"]
["80569347","COc1cc(C2C(C#N)=C(N)OC3=NN=C(c4cccs4)C32)cc2c1OCO2"]
["149265635","Cn1cc(C2=C(O)C(=O)N(c3ccc(Br)cc3)C2c2cn(C)c3ccccc23)c2ccccc21"]
["24458139","Cc1cccc(C)c1N=C(O)C1c2cccc[n+]2CC(=O)N1c1cccc(Cl)c1"]
["89487845","CCCC(N)C1c2ccccc2CCc2cc(OC)ccc21"]
["121597510","CCN(Cc1ccccc1NC(O)=NCCC(C)O)C(C)=O"]
["176219423","OB(O)O.c1ccc(-c2ccncc2)cc1"]
["15960546","Cn1ccnc1SCC(=O)N1CCN(Cc2ccccc2)CC1"]
["MCULE-6655976866","CCOc1ccc(-c2ccc3nc(N=C(O)c4sccc4C)nn3c2)cn1"]
["44603499","Oc1ccccc1C(P)(c1ccccc1)c1ccccc1O"]
["109183981","C=CCN1C(=O)/C(=C/Nc2ccc3c(c2)CC2(C(O)=NC(=O)N=C2O)[C@@H]2CN(CC)CCN32)C(O)=NC1=S"]
["134565251","CCCCC(CC)CC(=O)N1CCCN(C(C)=O)CC1"]
["51718963","CCCCCCCOc1ccc(NC(=S)N=C(O)CCCC(=O)OCCCc2ccccc2)cc1"]
["26819441","Cc1cc2ncccc2c(C)c1NC1NCCN1"]
["173350818","CC.CC.CC(=O)C(N)C1CCCCC1"]
["154227292","N=C(N)NCCC[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@@H](N=CO)CN=C(O)C=C[C@H](Cc2ccc(O)cc2)N=C(O)[C@@H](Cc2ccccc2)NC(=O)C1=O"]
["162599025","CO[C@H]1[C@H](O)[C@H](O)CO[C@@]1(O)CO"]
["69586332","CCOCC1C2C=CC(C2)C1COCC"]
["167903761","CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O[C@H](CO)COP(=O)([O-])[O-]"]
["171249825","COC(=O)C(C)(C)[C@@H](N)c1cccc(OC(F)(F)F)c1"]
["171448280","O=c1nc2ccccn2c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12"]
["MCULE-9343089864","Cc1noc(C)c1C(O)=Nc1ccc(F)c(F)c1-c1ccc(C(F)(F)F)nc1"]
["123305669","COCCN1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1=O"]
["68381209","O=C1C(=Cc2ccccc2)C2c3ccccc3C1c1ccccc12"]
["163707111","CCC(CC#N)C1C=C(C)C(CC#N)C(C#N)C1"]
["148591842","CCCC(O)=NCCCn1cc(CC)nn1"]
["MCULE-5861925306","CCCCCC(O)=Nc1ccc(-c2cccc(C(C)=O)c2)cn1"]
["MCULE-2527915802","COc1ccc(C(O)=Nc2cnc(C)nc2)cc1-c1ccncc1"]
["168218767","O=C(O)[C@H](CC1CCC1)N1CC(CN2CCC(c3cnc4ccc(C(F)(F)F)cn34)CC2)[C@@H](c2cccc(F)c2)C1"]
["174795766","C=Cn1c(N2CCCCC2)cc(-c2ccc3n[nH]cc3c2)nc1=O"]
["99971795","CCn1c(=NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c(OC)ccc(OC)c21"]
["MCULE-8671355608","N#Cc1cccc(-c2cncc(C(=O)Nc3ccc(F)cc3)c2)c1"]
["77044029","O=C(C=CC=Cc1ccccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1"]
["114673162","COc1cc(CSc2ccoc2C)ccc1C(=N)N"]
["22133267","Cc1cc(N2CCN(C(=O)C3(C#N)CCCC3)CC2)nc(C)n1"]
["58722067","Cc1ccc(C(O)=NC2CCCCC2C)cc1N=C(O)CN1CCC(C(O)=NC(C(O)=Nc2c(C)cccc2C(O)=NCc2ccc(F)cc2)C(C)C)CC1"]
["43801597","COC1CCCCC1NN=C(O)OC(C)(C)C"]
["135177896","CCCC(C)C(O)=NN=C(O)COc1ccccc1[N+](=O)[O-]"]
["115899099","CCCCNCCC(O)=Nc1ccc(F)cc1F"]
["111011595","CNc1ccc(-c2ccc3cc(OC[C@@H](COS(=O)(=O)c4ccc(C)cc4)OC4CCCCO4)ccc3n2)cc1"]
["175421659","CC(C)(C)C(N)S.c1ccccc1"]
["6315499","CNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)ccc2Cl)cc1"]
["136058967","COc1cc(C(O)=NCC(C)N2CCc3ccccc32)cc(OC)c1O"]
["183238994","[N-]=[N+]=Nc1cccc(Cl)c1-c1cc(F)c(F)c(F)c1"]
["85900912","CCCNC(Cc1ccc(F)cc1F)C1CC2CCC1C2"]
["128298349","O=C(c1c(Cl)nc2ccccn12)N1CCC(OCc2ccc(F)cc2)CC1"]
["MCULE-1347950371","O=C(c1cc(-c2cccc(Cl)c2)n(Cc2ccccc2)n1)N1CCCCC1CCO"]
["171341211","OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1cccc2ccccc12"]
["25659252","C#CCN1C(C)(C)CC(O)(C2(O)CC(C)(C)N(CC#C)C(C)(C)C2)CC1(C)C"]
["164820982","CC(C)N=C(O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O"]
["45360787","O=C1C(=Cc2ccc(N3CCCC3)c(F)c2)N=C(O)N1CC(O)=Nc1ccccc1"]
["198230208","OC(=NC1CCN(c2ccccc2)C1)C1(Cc2ccc(Cl)cc2)CNC1"]
["198409378","C[C@@H]1CC[C@]2(C(O)=NCC(O)=NCCO)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C"]
["122636304","CC1Oc2ccccc2N(CC(O)=NCCN2CCCCC2C)C1=O"]
["97762667","CC[Si](CC)(CC)O[C@@H](COCc1ccc(OC)cc1)C[C@H](/C=C\\C=C/Br)O[Si](C)(C)C(C)(C)C"]
["105741084","Cc1cccc(O[C@H](C)C(O)=NC2CCN(Cc3ccccc3C)CC2)c1"]
["141400781","CC(C)N1CCCC(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1=O"]
["190870399","COc1ccc(Cn2ccc3c(CN4CCc5c(Cl)cc(OC(C)C)c(Cl)c5C4=O)c(OCc4ccccc4)nc(C)c32)cc1.Cc1nc(O)c(CN2CCc3c(Cl)cc(OC(C)C)c(Cl)c3C2=O)c2cc[nH]c12"]
["8866678","CC(C)(C)CC(=O)N(Cc1ccco1)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1"]
["7763984","OC(=NCc1cccc2cccnc12)N1CCO[C@H](c2cccc(F)c2)C1"]
["MCULE-4477237368","Cc1cccc(C(=O)N2CCc3cc(-c4cn(C)nc4C(F)(F)F)ccc3C2)c1C"]
["133927546","CCc1nc2n(n1)CC(N=C(O)N(C)Cc1ccc(OC)cc1OC)CC2"]
["14148811","C[C@@H]1CCCCN1C(=O)/C=C/c1cccs1"]
["92641598","CN(C)c1cccc(C(O)=N[C@@H]2CCCNC2)c1"]
["92782192","CC(N=C(O)/C=C/c1ccncc1)c1ccc(N=C(O)c2ccc(F)cc2)cc1"]
["1638743","CCOC(=O)C(=O)Nc1cccc2ccc(-n3cccc3)nc12"]
["119374562","OC(COc1cccc2ccccc12)=NCc1nc2ccccc2s1"]
["8373318","OC(CCc1c[nH]c2ccccc12)=Nc1ccccc1-c1ccccc1"]
["132648536","Cn1cc(CN=C(O)CN=C(O)C(C)(C)C)c(C(F)(F)F)n1"]
["170842425","COC(O)=N[C@H]1CCC[C@@H]1C(CN1CCCC1)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CN(C(=O)/C=C/CN5CCCCC5)C4)c(CN4CC(F)C4)c3)C2)CC1"]
["163662498","CC(=O)c1ccccc1.N#C[S-]"]
["166216612","O=C1C2CCSCN2C(=S)N1c1ccc(Cl)cc1Cl"]
["53337075","CCC(C)N1CCN(CC(NC2CC2)C(=O)O)CC1"]
["196340584","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\\C/C=C\\CCCC)COP(=O)(O)OCC[N+](C)(C)C"]
["9324468","Cc1cc(C)n2nc(SCc3ccccc3C(O)=Nc3ccccc3C)nc2n1"]
["192331083","CO/N=C(/C(=O)C[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccccc3)CS[C@H]12)c1c[nH]c(=N)s1"]
["131179722","CC(C)n1cccc1C(=O)OCCc1ccccc1[N+](=O)[O-]"]
["65286394","CCC(C(O)=Nc1nc(-c2ccc(C)cc2)cs1)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21"]
["123880845","CC1CC1N=C(O)c1cccc(COc2ccccc2C#N)c1"]
["MCULE-1869355271","CCN(CC)CCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCOc2ccccc2)C1=O"]
["183738963","CC(C)(C)c1ccc(CC(O)=NC2(C#N)C=CC=C(N=[N+]=[N-])C2)cc1"]
["MCULE-6542644751","CCOc1ccc(C=C(C(=O)N2CCN(CCc3ccncc3)CC2)c2ccccc2)cc1"]
["MCULE-4857542428","COc1ncc(-c2cnccc2C)cc1NC(=O)c1nnc(C)o1"]
["70421477","CC(=O)c1c(CN(C)C2CCCc3cccnc32)nc2cccc(N3CCN(C)CC3)n12"]
["24192855","O=[N+]([O-])c1cccc(N=C(O)CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1"]
["66621094","CC(c1ccccn1)C(O)C12CC3CC(CC(C3)C1)C2"]
["31368185","COc1ccc(-c2nn[nH]n2)cc1N(C)[C@H]1CC[C@H](N=C(O)C(C)(C)C)[C@@H]1c1ccc(F)cc1"]
["175506083","CC.O=C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1"]
["173295727","CC.OC1COC2OCCC12"]
["65810886","COc1cc([N+](=O)[O-])ccc1N=C(O)CN(C)C(C)c1cccc(Cl)c1"]
["146649693","CCC(O)=Nc1cccc(C(O)=NC2(C(=O)O)CCC(C)CC2)c1"]
["10234586","COC(=O)[C@@H](C)CN(CCCOC(C)C)C(=O)c1cccc(N=C(C)O)c1"]
["MCULE-5644373375","CCn1nccc1CN1CCOC2(CCN(C(=O)c3snnc3C(C)C)CC2)C1"]
["170511635","CC(C)=O.O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]3O[C@H]4C(=C13)[C@H]2C[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]14"]
["MCULE-4467868384","COc1cc(-c2c(C)nc(N=C(O)C3CCC(=O)N3C(=O)OC(C)(C)C)nc2C)ccn1"]
["51195690","CCOC(=O)c1cnc(SC(C)C(O)=Nc2cccc(Cl)c2C)[nH]c1=N"]
["13664304","COC(=O)Cn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(S(C)(=O)=O)ccc21"]
["53106366","CCC(CC)N=C(O)NC1CCCc2ccccc21"]
["44765810","C[C@@H](C(=O)OCC(O)=NCc1ccc2c(c1)OCO2)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O"]
["121849708","CCC(NCCCN=C(O)C(F)(F)F)c1nc(C)cs1"]
["MCULE-7410465811","CC(=O)c1ccccc1C(=O)N1CCc2cc(-c3cccc(N4CCOCC4)c3)ccc2C1"]
["88341243","CC1CCC(CNc2ccccc2N2CCCCC2)O1"]
["99829312","O=C(O)CC(N=C(O)c1cc(=O)n(-c2ccc(F)cc2)[nH]1)c1cccc(Cl)c1F"]
["107361457","C[C@H](Nc1ncccc1[N+](=O)[O-])c1cc(F)ccc1N1CCC(O)CC1"]
["89805933","CCC1Oc2ccc([N+](=O)[O-])nc2N(CC(=O)Nc2ccc(N=C(C)O)cc2)C1=O"]
["24987182","O=C1CCC2CC12"]
["26224024","C=C([O])C1=CC=CC1"]
["161261643","CC1(Cn2ncc(-c3ccc(F)nc3Cl)c2F)CCCC1"]
["MCULE-5729463225","NC1=C(C(O)=NC2CCCC2)C(c2ccccc2[N+](=O)[O-])c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1"]
["13222085","CCN(CC)S(=O)(=O)c1cc(C(O)=Nc2cnn(CC(=N)O)c2)ccc1F"]
["154373128","Cc1ccn2c(C(O)=N/N=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)c(C)nc2c1"]
["MCULE-5035397273","CCC1CN(C(=O)Cc2cccc(F)c2-c2ccc(CN3CCCC3)cc2)CCN1C(C)C"]
["60132788","N#Cc1c(F)cc(NC2CCNCC2)cc1F"]
["80643914","CCCCN=C(O)C(c1ccco1)N(Cc1ccc(C)o1)C(=O)c1ccc(Cl)cc1"]
["94024029","COc1cc(CN[C@H](C)c2ccccc2)cc2c1OCO2"]
["172634701","FC1(F)CCC(Cn2ccc3c(Cl)nc(Cl)cc32)CC1"]
["MCULE-6908228751","Cc1ccc2c(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c(N)c(C(=O)c3cccs3)n2c1"]
["2689741","CN(C)c1cccc(C(O)=NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)c1"]
["64958357","COc1ccccc1NS(=O)(=O)c1cc(C(O)=NC[C@@H](c2cccc(F)c2)N(C)C)ccc1C"]
["156730586","C[C@@H]1CN(C(=O)N=c2[nH]nc(C(F)(F)F)s2)CC[C@@H]1C"]
["83800010","O=C1Nc2cc(Cl)ccc2C1=Cc1ccc(CSC(F)F)o1"]
["109828843","O=C1[C@H]2CC=CC[C@H]2C(O)=NN1c1cccc(C(O)=Nc2cccnc2)c1"]
["58303355","CN1C2=C(CC3=C1CC(C)(C)CC3=NNc1ccccc1)C(=NNc1ccccc1)CC(C)(C)C2"]
["57974140","NCCCN(C(=O)C1COCCO1)c1ccccc1"]
["166758485","CCCCCC(C)O/C(=N\\c1c(C)cccc1Cl)c1cnc(Nc2cc(N3CCN(CCO)CC3)nc(C)n2)s1"]
["126435988","CCCC1(C)CCCN(CC(=O)N=c2cc(C)o[nH]2)C1"]
["82104476","C=CC1CC1(N)C(=O)C1CC1(C)S(N)(=O)=O"]
["20905937","CCOC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCCC[C@@H]2C(=O)OCC)cc1"]
["MCULE-6446999240","COc1cnc(C(=O)N2CCC(C)(CN=C(O)c3ccc4oc(=O)n(C)c4c3)CC2)cn1"]
["48527865","CS(=O)(=O)Nc1cccc(C(=O)OCc2nccn2C(F)F)c1"]
["44045626","O=C(O)CCCC(=O)N1CCN(Cc2ccsc2)CC1"]
["MCULE-9695198025","Cc1ccc(CN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4cccc4)cc3)C2=O)cc1"]
["97017393","CCOC(=O)Cn1cccc1C1(C(F)(F)F)CCCN1"]
["15331573","CCOc1cccc2sc(N(CCn3nc(C)cc3C)C(=O)CC)nc12"]
["167167411","CN(C)C(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1"]
["MCULE-8084373557","COc1cccc(F)c1-c1cncc(CN=C(O)c2cccnc2C)c1"]
["165556194","COC(=O)c1cc(S(N)(=O)=O)ccc1NCC1C2Cc3ccccc3C12"]
["7867112","CCN(CCO)C(O)=Nc1cccc(N=C(O)OCCOC)c1"]
["91859877","OC(CCc1ccc(F)c(F)c1)=NCCc1ncc[nH]1"]
["133077843","CC(CN=C(O)NCc1cccnc1)c1nc(-c2ccccc2)no1"]
["MCULE-3723372282","COc1ccc(N=C(O)c2cnc(-c3c[nH]nc3C)cn2)cc1OC"]
["67785954","CCOC(=O)C(=O)NC(C)c1ccsc1"]
["51374847","CNCCCC(O)=NC(C)C(=O)N(C)C"]
["MCULE-9571827705","CCn1nccc1-c1ccc(CCC(O)=Nc2ncncc2C#N)c(F)c1"]
["200114338","CCC(O)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O"]
["90563223","CCCCC=C(C[Si](C)(C)C)C(O)CCCCC"]
["155868598","Cc1ccc(N=C(O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl"]
["111470197","CCN(C)C(=O)C(C)NCC(O)(CC)CC"]
["18637846","CCC[NH+]=C(O)N1CCN(CCC)CC1"]
["83619934","CC(=O)C1=C(O)C(=O)N(CC[NH2+]CCO)C1c1ccccc1F"]
["128039735","Cn1nc(CCNS(=O)(=O)Cc2noc3ccccc23)c2ccccc21"]
["97090574","CCC[C@H]1O[C@@H]1[C@H](O)[C@H](C)O"]
["159928605","Cc1csc(C(N=C(O)N2CCC(C3CCOCC3)C2)C2CC2)n1"]
["146391458","CN(CCC1CCCC1)C1CCNCC1.Cl"]
["140058302","OC(=NC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nc[nH]n2)c1"]
["MCULE-6801299874","CC(C)COc1ccc(-c2ccc3oc(N=C(O)Cc4cc(F)ccc4F)nc3c2)cc1"]
["MCULE-5340717784","CCCOc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(CCOC(C)C)C2=O)cc1"]
["139668393","CC(CC(=O)OC(C)(C)C)NCc1ccc(CO)c(F)c1"]
["116814983","Cc1ccccc1OC(C)C(=O)N1CCN(C2CCCCC2O)CC1"]
["6481803","CN(C)C(=O)[C@@H]1CCCN(CC(O)=[NH+]c2cc3c(cc2Cl)OCCCO3)C1"]
["62660078","CCn1c(NN=C(O)c2ccc(C#Cc3ccccc3)cc2)nc2ccccc2c1=O"]
["155036614","COc1ccc([C@H](N=C(O)[C@H]2CCCOC2)C(=O)O)cc1"]
["131561955","O=C(CN=C(O)c1cnn[nH]1)OCc1ccccc1Cl"]
["54303975","COc1ccc(S(=O)(=O)N2CCOCC2)cc1N=C(O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O"]
["122080414","C=C(C)CN(C)C(=O)c1cnc(Cc2ccccc2F)s1"]
["97259294","CCOC(=O)/C=C/C[C@@]1(C(=O)OCC)CCCCC1=O"]
["133255592","CCc1onc(C)c1NC(=O)C(=O)N(Cc1ccco1)Cc1ccco1"]
["189895519","CN(c1ccc(OC(F)(F)F)c2ncccc12)[C@H]1CCN(C(=O)OC(C)(C)C)C1"]
["MCULE-4042225739","CCOc1ccc(F)cc1-c1ccc(NC(=O)c2cc(C)on2)c(F)c1"]
["81330917","COc1ccc(C2c3c(OC)cc(OC)c(Br)c3C3c4c(OC)cc(OC)c(Br)c4C2C3c2ccc(OC)cc2)cc1"]
["118941643","CN=C(NCC1CCCOC1C(C)(C)C)N1CCN(C(=O)c2ccco2)CC1"]
["127558440","CC(C)(C)c1n[nH]c(=NC(c2ccccc2)C2CCCO2)s1"]
["MCULE-3953454816","CN1CCC(N=C(O)C(c2ccccc2-c2ccc(OC(F)(F)F)cc2)N2CCN(C(=O)OC(C)(C)C)CC2)CC1"]
["120713699","Cc1nc2cc(NCC3CCC(O)CC3)ccc2o1"]
["150861556","CCOc1ccc(C=Nc2cccc(Cl)c2C)cc1Br"]
["57867068","COC(=O)CC(N=C(O)CCOc1cccc(C)c1C)c1ccccc1"]
["115373483","CCc1ccc(S(=O)(=O)NC(CC)CC(=O)OC)cc1"]
["177689590","COc1ccc(Nc2ncc3scc(-c4ccccc4)c3n2)c(OC)c1.COc1ccc(Nc2ncc3scc(Br)c3n2)cc1OC"]
["115866635","O=C(N1CCN(c2ccccc2)CC1)C1(C(O)=Nc2ccccc2F)CC1"]
["MCULE-1964815513","C=CCN(C(CCSC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccccc1"]
["111562137","CCOC(=O)c1cc2nccc(-c3cccnc3)n2n1"]
["5667869","CCc1ccc(OC(=O)COc2ccc(Br)cc2C)cc1"]
["75338161","C=C1[CH]C=CC=C1COCCCCCCCC"]
["144097851","CC(O)=NC1CCN(CC(O)=NCC2(N3CCOCC3)CCCCC2)CC1"]
["124383952","CCC(C)C(C)N(C(=O)c1csc(C(C)C)n1)C1CC1"]
["198322433","C[C@@H](N=C(O)Cn1cnnn1)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)C4C[C@H]5CC[C@@H](C4)C5N)C3)[C@H](C)[C@H]12"]
["44974353","O=C1CC(C(O)=Nc2ccc3nc(N4CCOCC4)sc3c2)CN1C1CC1"]
["120278110","CCOc1cc(N)cc(NCCS(=O)(=O)CC)c1"]
["62574799","CCCCCCCCN=C(O)Nc1cccc(C)c1NC(O)=NCCCCCCCC"]
["189953768","C=C/C=C(\\C=C)c1ccc(CC(C)(C)C)cc1"]
["157244653","C[C@H]([C@@H]1CC[C@@H](C)[C@H](C)C1)[C@H](C)O"]
["20682069","C[C@@H]1CCCC[C@@H]1OCC[NH+]=C(O)C[NH+]1CCC(CN2CCOCC2)CC1"]
["139790583","CC(CN=C(O)N1CCCC1c1ccccc1Cl)CN1CCN(C)CC1"]
["130707197","CCCc1c(N=C(O)C(C)n2cnc3ccccc32)cnn1-c1cccc(F)c1"]
["53182080","Cc1ccc(C(=O)N2CCOCC2)cc1N=C(O)C(C)N1CCC(C(O)=NCC(O)=Nc2ccc(F)c(F)c2)CC1"]
["113329203","Cc1ccc(C)c(S(=O)/C=C/C(=O)O)c1"]
["4666047","CCn1nc(C(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1=O"]
["MCULE-7616629684","Cc1cc(-c2ccncc2F)cnc1N=C(O)c1ccc2nccnc2c1"]
["81781178","CC(=O)[C@@]1(C)C[C@@H]2C(=C[C@H]1C)CCCC2(C)C"]
["197380049","Brc1ncccc1CC1CNC1"]
["192933114","CC(C)(C)OC(O)=N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(O)=NS(=O)(=O)C2CC2)N=C(O)[C@@H]2C[C@@H](O)CN2C1=O.Cc1ccc2oc(Cl)nc2c1.Cc1ccc2oc(O[C@@H]3C[C@H]4C(O)=N[C@]5(C(O)=NS(=O)(=O)C6CC6)C[C@H]5/C=C\\CCCCC[C@H](N=C(O)OC(C)(C)C)C(=O)N4C3)nc2c1"]
["199124346","CN=C(O)C1(Cc2ccccc2-c2ccccc2F)CCCN1C(=O)C1CC12CCC2"]
["MCULE-5113181387","Cc1cc(F)c(-c2cnn(Cc3ccccc3)c2)cc1N=C(O)c1ccn(C)n1"]
["111514566","COC(CNC(=O)c1ccc(CO)cc1)CC(=O)O"]
["16643306","CS(=O)(=O)c1ccc2nc(N=C(O)CCc3ccsc3)sc2c1"]
["44555824","CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(NCc2nc(C3CC3)no2)c1"]
["58211868","COc1ccc(/C=C/c2nnc(-c3ccncc3)o2)cc1"]
["13931483","Cc1occc1-c1nnc(SCC(=O)N(C)c2ccccc2)n1-c1ccccc1"]
["25936305","CC1CCC(C(C)C)C(OC(=O)[C@@H](c2ccc(OCc3ccc4ccccc4n3)cc2)C2CCCCCC2)C1"]
["152253163","C=CCc1cc(/C=C(/C#N)C(O)=Nc2cccc(OCC)c2)cc(OCC)c1OCc1ccccc1"]
["73600090","CS[C@@H]1N=C2C(=CN1)C[N+]([O-])(Cc1ccc(-c3ccc(Cl)nc3)nc1)CC1CCCN21"]
["MCULE-8241952188","COC(=O)c1cn(-c2cc(OC)cc(OC)c2)nc1CC1CCCC1"]
["1981588","C[C@@H]1CN(C(C)(C)CN=C(O)CCc2nc3ccccc3[nH]2)C[C@@H](C)O1"]
["6698977","CCCC[NH+](C)CC(=O)N(C(C)C)C(C)C"]
["119142807","O=[N+]([O-])c1ccc(CNC(=NCCc2ccc(F)cc2)NCC2CCOC2)cc1"]
["161064883","O=C1CC(C(O)=NC2CCC(N3CCNCC3)CC2)CN1CC(F)(F)F"]
["117614460","Cc1ccc(N=C(O)c2cc(=O)cc[nH]2)cc1C"]
["2428526","CC[C@H](C)[C@@H](N=C(O)CCC(=O)c1cc(C)ccc1C)c1nc2ccccc2[nH]1"]
["MCULE-2404893689","CCC(C)(N=C(O)Cc1coc(C)n1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1"]
["121873919","CC(C)CS(=O)(=O)CC(=O)N(CCO)Cc1ccccc1"]
["160857908","CN(C(=O)C1CCCSC1)C1CC(C)(C)C1"]
["10508345","CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1"]
["98042890","Cc1nc2n(c1-c1ccc(Oc3cccc(OC(F)F)n3)cc1F)CN(CC1CC1)C2=O"]
["13267544","CCOC(=O)c1ccc(NC(=O)c2csc(=Nc3ccc(OC)c(OC)c3)[nH]2)cc1"]
["63050144","O=C1CCC(NNc2ccccc2)=c2ncccc2=N1"]
["48672457","CC[C@@H](C)C(O)=NS(=O)(=O)c1ccccc1C"]
["167852764","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC([O-])=NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\\C/C=C\\CCCCC"]
["129591326","CC(CC1CC1)N=C(O)CCN=C1NS(=O)(=O)c2ccccc21"]
["199009762","Cc1ccc2nc(CN(Cc3ccc(Cl)cc3)c3ccc4nc(O)[nH]c4c3)cc(=O)n2c1"]
["190389191","CCc1ccc2nc(C[C@H](CC(O)=NC)C(O)=N[C@H](CCC(=O)/C=C/CN3CCCCC3)CC3CCCCC3)sc2c1"]
["10648362","CCCCn1c(SCC(O)=Nc2nc3ccc(F)cc3s2)nc2ccccc2c1=O"]
["MCULE-3942304095","CCc1nn(-c2ccccn2)c2c1C(c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2"]
["8151454","Cc1ccc(C(=O)[C@H](C)N(C)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1"]
["183393992","[N-]=[N+]=N/C=C/c1ccc(OCCCCOc2c(Cl)cc(F)cc2Cl)cc1"]
["45196925","CCCC(O)=Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O"]
["135615182","O=C1C=CC=NC1=C(O)NCCN=C(O)C=Cc1ccc(-c2ccccc2F)s1"]
["MCULE-2425169020","COc1ccc(F)cc1-c1cncc(N=C(O)c2cccnc2)c1"]
["50655754","O=C1CC(C(O)=Nc2nc3ccc(Cl)cc3s2)CN1c1ccccc1"]
["MCULE-8332235931","COc1ccc(-c2ccc(NC(=O)C3CCCCN3C)c(C(C)=O)c2)cc1F"]
["MCULE-5336505227","Cc1cc(-c2cc(C(F)(F)F)nn2C)cnc1N1CCN(C(=O)c2conc2C)CC1"]
["67558158","COc1ccccc1NC(O)=NCC1CCN(Cc2ccccc2SC)CC1"]
["60232689","CNCC1(Cc2ccc(F)cc2Br)CCOC1"]
["7176429","C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)/C([O-])=C1/C(=O)[C@@H](CO)N(C)C1=O"]
["150882732","CCc1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1"]
["151667272","Cc1nc(N2CCCCC2)ncc1C(=O)N1CCCC[C@H]1c1ccccn1"]
["MCULE-7502334339","Cc1ccc(C(C)N=C(O)CCCc2ccc(-c3cccs3)cc2)cc1"]
["111937606","CC1CN(C(=O)c2cccn2C2CC2)CC1N"]
["49288657","C#Cc1cccc(N=C(O)CN(C)C(=O)c2cc(Br)ccc2I)c1"]
["31004332","CC(C)(C)OC(=O)N1CCNCC1c1ccc(C2=NN=C(O)CC2)cc1C(F)(F)F"]
["146358449","CN(C)CCn1c(=O)oc2ccc(N=C(O)C3CCNC3)cc21.Cl.Cl"]
["102043946","OC(/C=C\\c1cccc2cccnc12)=Nc1nc(C(F)(F)F)cs1"]
["115480190","COc1cccc(CN2C(=O)C(=O)/C(=C(/O)c3cc(Cl)cc(Cl)c3OC)C2c2ccccn2)c1"]
["141822761","CC(C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)S(C)(=O)=O"]
["110046270","COc1ccc(F)cc1[C@H](C)NC(O)=NCCc1ccccc1C(F)(F)F"]
["86266877","CCNc1cc(=Nc2ccc(C)cc2Cl)[nH]c(=N)[nH]1"]
["32462161","CCCCCCCCCCCCCCCC(=O)OCC(CSP(=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC"]
["141715232","CCc1noc2ncc(S(=O)(=O)N(C)Cc3ccc(OC)c(C)c3)cc12"]
["162641102","CC1CCN(Cc2ccc(I)cc2)C1=O"]
["75019458","COC(=O)c1cnc(S(=O)(=O)OC)nc1"]
["177752601","CC(C)(C)[Si](C)(C)OCC(N)c1ccc(Cl)c(F)c1"]
["185169544","CC(O)Cn1c(=O)n(C)n(-c2ccccc2)c1=O"]
["160990228","CC(C)(C)C1CCC(CN=C(O)NCC2CNCCCO2)CC1"]
["MCULE-5769059036","Cc1nc(Nc2cccc3cccnc23)cc(N2CC(C)Cc3ccccc32)n1"]
["12405810","Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cc2)ccc1F"]
["174037270","C=C/C=C\\C(=C(/C)F)C(Cc1ccc(Cl)cc1)C(C)N=C(O)C(C)C"]
["159876427","Cc1cnc(CN=C(O)Nc2ccccc2N2CCOCC2)cn1"]
["170272552","COC(=O)CN(CC(=O)OCCC(C)C)c1ccc(Br)c2nccnc12"]
["75661025","Cc1c(N=C(O)c2ccc(C(C)(C)C)nc2)cccc1C1CN(C)C(=O)C(Nc2ccc(C(=O)NO)cc2)N1"]
["59045497","CCN=C(O)OC(C#N)c1cccc(Oc2ccccc2)c1"]
["MCULE-5814223674","Cc1cc(NC(=O)c2cnoc2C)ccc1-c1cncc2ccccc12"]
["85640320","Cc1cc(C)cc(CSCc2occc2C(=O)O)c1"]
["26148064","COCCNC(c1ccccc1)C(O)c1ccccc1"]
["148832945","CN(Cc1ccco1)[C@@H]1CNC[C@H]1O"]
["86138862","O=C(Cc1csc(C2CCCCS2)n1)c1ccccc1"]
["9225621","O=C(c1ccc(NCC(O)=Nc2ccccc2OC[C@@H]2CCCO2)cc1)N1CCCC1"]
["115599687","CCN(CC)c1ccc(C2/C(=C(\\O)c3cc(OC)c(Cl)cc3OC)C(=O)C(=O)N2c2cccc(OC)c2)cc1"]
["88767406","N#CC1(CCCCl)CCCS1"]
["13542972","C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1ccc(C#N)cc1"]
["MCULE-1328643415","Cc1ccc(C(=O)OC2CCOC(C)C2)cc1Cl"]
["173522496","C=C(C)CCCC(CO)C1CCC(C2CCC(C3CC=C(c4ccc(CCCCC)cc4)CC3)CC2)CC1"]
["MCULE-3972211179","CC1(N=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCS(=O)(=O)C1"]
["77736882","C=CCN=C(O)CCC1NNC(c2ccc(C(F)(F)F)cc2)N=C1O"]
["131302137","COc1cc(Cl)ccc1CN=C(O)CSCC#N"]
["178507083","CN1C=CC(C(O)=NC2CCCCC(CCCCC3(C(O)=NCC(F)(F)F)c4ccccc4-c4ccccc43)CC2)=CC1"]
["157112910","C[C@@H]1CC[C@H](C)N1[C@@H](C)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21"]
["3737282","OC(Cn1ccc2ccc(F)cc21)=NCc1noc(-c2ccccc2)n1"]
["197619426","OC(=Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(Br)c1)OCc1ccccc1"]
["MCULE-3008286122","COc1cccc(NS(=O)(=O)CC(C)C(=O)N2CCN(c3cccc(C)c3)CC2)c1"]
["22099237","C[C@H]1CN(Cn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)CC(C)(C)O1"]
["195458086","CN1CCC2(CC1)C1OC1NCN2c1ccccc1"]
["158913176","Cc1ccncc1S(=O)(=O)N1C[C@H]2CCCCN2C[C@@H]1C"]
["142794277","COC(=O)CN=C(O)Cc1ccccc1I"]
["169892833","Cc1cc(Cl)cc(C)c1[N-]C(=O)C(C)[N+]1(CC(=[OH+])OCc2ccccc2)CCCC1"]
["3085718","O=C(c1cccs1)N1CCCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1"]
["175449859","O=C(OCc1ccccc1)c1ccc(OCC2CCO2)cc1"]
["100928412","[N-]=[N+]=Nc1cncc(Cn2ccnc2N[N+](=O)O)c1"]
["MCULE-3792827178","Cc1cc(OCC(=O)N2CCN(Cc3cnn(C)c3)CC2)cc(C)c1Cl"]
["CSSS07037970232","OC(Cn1cc(NCc2ccc(OCC(F)(F)F)nc2)cn1)=NC1CC1"]
["28089471","CN1CCC(N=C(O)N2CC(c3cc(Cl)ccc3F)=CC2c2cccc(O)c2)CC1"]
["181138587","CCNc1cc(N=[N+]=[N-])ccc1N"]
["83441563","COc1ccc(CCN=C(O)COC(=O)CN2C=NC3=[N+](C)C(=O)N(C)C(=O)C32)cc1"]
["177064483","CCN(CC)CCOC1=C[C]2NC(=C(N)C=C=O)C=C2C=C1.[In+]"]
["16296227","Cc1nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2o1"]
["166232924","C/C(C#Cc1ccccc1)=C\\S(=O)(=O)c1ccc(C)cc1"]
["165343901","Cc1ccc(N2C(S)=NC(c3ccccn3)C2c2cccn2-c2ccc(Cl)cc2Cl)cc1"]
["110069412","CCOC(=O)c1cccc(N(CC)Cc2nc(CC(O)=Nc3ccccc3OC)no2)c1"]
["114870300","CNC(c1cc(Br)cc(Br)c1)c1cc2cccc(F)c2o1"]
["11552281","CC[C@H](C(O)=NCCC1(C)OCCO1)c1ccc(F)cc1"]
["25474536","CC(Cc1c[nH]c2ccccc12)(N=C(O)OC12CC3CC(CC(C3)C1)C2)C(=O)O"]
["92798148","COC(=O)c1ncsc1S(=O)(=O)NC(CO)CO"]
["MCULE-6380048833","CCOC(=O)C(C)C(O)=Nc1cccc2c1C(=O)N(C)C2=O"]
["51428279","COCCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1"]
["137287609","COc1cccc(Cl)c1C(O)=NCc1nccc2ccccc12"]
["8941455","O=C1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)CN1c1ccc2c(c1)OCCO2"]
["92195712","CC(O)CC1CCCN1CCc1cccs1"]
["48675316","COC(=O)c1sc2cc(NC(S)=NC3CCC(C)CC3)ccc2c1Cl"]
["155079707","Cc1cc(N=c2[nH]cc(C#N)s2)ncc1C[C@@H]1COCCN(C2COC2)C1"]
["142280242","O=C(N=c1ncn(C2CCCCC2)[nH]1)C(=O)NCCOCc1ccccc1"]
["66511210","COc1ccc(/C=N/c2nc(C3=CC=C[CH]3)c(-n3cncn3)s2)c(OC)c1"]
["94723115","CN(Cc1cc(F)ccc1Cl)CC1CC(Cl)C1"]
["148225519","CCc1c(C(O)=Nc2cc(C(=O)O)ccc2F)cnn1C(C)(C)C"]
["MCULE-6624201667","Cc1cccc(-c2cc(F)cc(N=C(O)C3CCC(=O)N3C(=O)OC(C)(C)C)c2)c1C"]
["187978224","Cc1nc(I)ccc1OC[C@@](C)(N)CC(C)C"]
["CSSS20521997479","C=CC(=O)Nc1ccc(CC(O)=Nc2cc(S(=O)(=O)F)ccc2C)cc1"]
["111558707","CN=C(O)C1CCCN(S(=O)(=O)c2cccc(O)c2)C1"]
["52711192","CCN(CC)S(=O)(=O)c1cccc(CO)c1C"]
["195533632","[B]C/C(C=C)=C/C(=C\\C=C\\F)[NH+]([O-])O"]
["93712989","CC[C@H](O)c1ccc(N(CC2CC2)C2CC2)cn1"]
["97969897","C#C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(O)nc(=N)[nH]c21"]
["195038356","C[C@H]1C[C@H](O)C[C@@]2(C)[C@@H](O)CCC[C@]12O"]
["112286850","CC1(C)CCCC1C(O)=Nc1cc(Cl)c(O)c(Cl)c1"]
["90885619","CCOC(=O)C(c1ccc(Cl)cc1)N1CCN(C(C)C(O)=NC(O)=[NH+]C)CC1"]
["4319970","CCc1ccccc1N=C(O)[C@@H](C)Sc1nccn1C1CC1"]
["33530428","CCC[C@H](N=C(O)Cc1cc(F)cc(F)c1)C(O)=Nc1cn(CCN2CCN=C(O)C2)cn1"]
["137901816","CCC(C)CN(C)CC(=O)Nc1cc(C)nn1C1CCS(=O)(=O)C1"]
["61677169","O=S(=O)(Cl)c1cc(Cl)c(Cl)c(C(O)=NCC(F)(F)F)c1"]
["5745657","CC1(CN=C(O)NC[C@]2(N3CCOCC3)CCSC2)CCCC1"]
["CSSS14948275936","COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1cccc2nc(C)n(C3CCC(O)=NC3=O)c(=O)c12"]
["167340153","C1=CC2=C([NH+]3CCCC3)C=C[N]C2=C1.C[C]1C(C)=C(C)C(C)=C1C.[Fe]"]
["172503639","C=CC(=O)OCCCCCCCCCCCCc1c(C)ccnc1Br"]
["176308465","N#C[C@@H]1CSCN1C(=O)CN=C(O)c1ccnc2ccc([C@@]34CCOC[C@@H]3C4)cc12"]
["137838319","Cc1cccc(C2=CCN(C3CCCCN=C3O)CC2)c1"]
["130688610","Cc1cc(C(=O)N2CCC(N=C(O)OC(C)(C)C)C2)c(C)n1C1CC1"]
["MCULE-6405160087","COc1cc(OC)cc(-c2cc(F)cc(CC(O)=NCCc3csc(-c4cccnc4)n3)c2)c1"]
["111777444","COCCOCCCCC(CNC(C)C)c1ccccc1"]
["146409687","CCCN(CC(O)=NC(O)=NC)C1CCNCC1.Cl"]
["142686050","CN(CC1CCCCC1)C(=O)c1cc(N2CCN=C2O)ccc1F"]
["155443117","CN=C(O)[C@@H]1C[C@H]1c1nc2ccc(C(C)=O)cc2[nH]1"]
["120221266","COc1cccnc1C(O)c1cncn1C(C)C"]
["MCULE-4657225648","CCOC(=O)c1c(N=C(O)CN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)sc(C)c1-c1ccc(Cl)cc1"]
["17769893","COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)c1ccc(Cl)cc1Cl"]
["91271821","CCCCCCCCCCCCCC1=C(O)c2ncsc2C(=O)C1=O"]
["115392684","COc1ccc(NC(=O)C(O)=Nc2ccc(C#N)cc2)cc1Cl"]
["70413834","COC1CC2NC(N(C)Cc3cccc(N4C(=O)CN(C)C4=O)c3)N=C(O)C2C(OC)C1OC"]
["8165700","Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc2c(c1)OCO2"]
["MCULE-6126828742","CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)C1c1ccccc1Br"]
["81551528","COc1ccc(C=Cc2cc(CO)c(CO)c(OC)c2)cc1O"]
["159394581","Cc1cc(OC(C)C)ncc1N1C(O)=Nc2c(C(=O)O)sc3nccc1c23"]
["160757792","CN1CCCC(C(=O)N2CCC(N=c3ccc4nccn4[nH]3)C2)C1=O"]
["115118930","CCN1CCCC1CN(C)c1ncccc1C(C)N"]
["77480710","Cc1ccc(C(=O)[O-])cc1N1C(=O)CC(Nc2ccc(Cl)cc2Cl)C1=O"]
["95989514","CCCn1ncc(OC)c1C(Cc1cccc(F)c1)NN"]
["73822665","O=C(Oc1ncccc1Cc1ccc2c(c1)OCO2)Oc1ncccc1Cc1ccc2c(c1)OCO2"]
["133155612","CC(O)=NCCCN1CCC[C@H]1c1ccccc1Cl"]
["57278996","CCOc1ccccc1N1C(=O)CSC1c1ccc(NS(=O)(=O)c2ccccc2)cc1"]
["50513733","CC(=O)c1cc(CSCCN)c[n+](CC(=N)O)c1"]
["79609865","[CH2]C1CC(C)=NO1"]
["162140105","CCOc1c(CC(C)C)cccc1C(=O)C(OC)c1ccccc1"]
["64167561","OC1=NCC2(CCC(c3ccccc3)CC2)C1"]
["175543301","CN=C(C1=C(N)CCc2cnc(Nc3ccc(C(O)=NC4CCN(C5CCOCC5)CC4)cc3OC)nc21)c1ccccc1C.[HH].[HH]"]
["142109183","CCOCC(O)CN(Cc1ccncc1)C1CC1"]
["114916224","CCNC(c1cc(Cl)c(Br)s1)C(C)c1ccccc1"]
["23361866","CC(=CC(=O)N(C)Cc1scnc1C)c1cccc(F)c1"]
["166481198","CCCN(Cc1cncc(OC)n1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]
["134589319","O=C(CCCN=C(O)CC1CCC1)N1Cc2ccccc2C1"]
["42496182","CCCC1(CN(C)C2CCCC2)CCNCC1"]
["34235309","COc1cc([C@H]2OC(C)(C)OC[C@@H]2Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O"]
["112813287","CCc1cnc(CN=C(O)NC(CC(=O)O)C(=O)O)s1"]
["173185168","CC(C)(C)OC(=O)N1C[C@H](O)CC1[C@H](O)c1ccccc1"]
["124559179","COC(=O)c1oc(C(C)N2CCC(OCc3ccccc3)CC2)cc1C"]
["49195135","[CH2-][C-](Br)c1ccc(C(F)(F)F)cc1.[Mg+2]"]
["97041288","CCOC(=O)/C(=C/C(C)c1ccccc1)C1CCCCC1"]
["137065708","CCCC1C(O)=NCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1"]
["MCULE-1417924753","CCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1"]
["105926785","CC(=O)c1cccc(OCC(O)=NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1"]
["60005431","CC1CCN(Cc2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1"]
["100503167","CC(=O)N1c2ccc(N(C)C)cc2CCC1C"]
["5939765","C[C@H](NS(=O)(=O)c1ccc(N)cc1)c1ccccc1"]
["180423827","Cn1ncc2c1CC(C)(I)[NH2+]C=C2"]
["11554242","O=C(c1ccccc1)c1ccc(N2CCN(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1"]
["MCULE-6334329926","CCC(N=C(O)c1nn(-c2cc(C)cc(C)c2)c(C)cc1=O)c1ccc2c(c1)CCCC2"]
["MCULE-1374739164","COc1ccc(F)c(F)c1-c1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1"]
["173552035","Cc1ccc(C(C)(C)S(N)=O)cc1"]
["141802763","CC(O)=NCCCN=C(O)Nc1ccccc1CN(C)C1CCCCC1"]
["76322351","CCN(CC(=O)O)C(C(=O)O)P(=O)(O)OCC(O)CO"]
["79369","O=C(O)c1cc(CO)cc(C(=O)O)c1"]
["118895314","CCN=C(NCc1ncc(CC)s1)NCC1(C)COC1.I"]
["193832541","Cc1cc(C)cc(/C=N\\N=c2nc3cc(C(=O)N=c4cc[nH]cc4)sc3c(N)[nH]2)c1"]
["11805070","O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1c1nccs1"]
["170118961","CCCCCCCCC(C(=O)O)N(CC)CC(=O)OCCC"]
["MCULE-9007981280","COc1cc(C=Nn2c(SCC(O)=Nc3ccccc3F)nnc2-c2ccccc2)cc(OC)c1OC"]
["51599314","OC(CC1C=CCC1)=NCCC1CCCNC1"]
["120640807","COc1ccc(C(C)(C)CNC(=O)C=O)cc1Br"]
["1561852","COc1ccc(C2(CNS(=O)(=O)c3ccc(C)c(Cl)c3)CCCC2)cc1"]
["MCULE-9773085690","CC(=O)c1cc(-c2ccccc2OC(C)C)ccc1NC(=O)Cc1cccc(C)c1"]
["159234118","N#Cc1cc(I)cc(CO)c1OC(F)F"]
["62199168","[C-]#[N+]c1cccc(-c2ccc(C3(CCc4nc5cc(F)c(F)cc5[nH]4)CCN(CC4CC4)CC3)cc2)c1"]
["117208268","CC1Cc2ccccc2N1C(=O)CCCC(=O)c1ccc2c(c1)OCCO2"]
["153847498","CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)=O)cc1"]
["148371933","CC1(C(=O)O)CCCN(C(=O)c2ccccc2COc2ccccc2)C1"]
["115307870","CCCN(C1CCCNC1)C(CC)c1cccc(Br)c1"]
["137087552","O=c1oc2ccccc2n1Cc1cc(F)ccc1Br"]
["84296994","CN(Cc1cccnc1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O"]
["MCULE-4369395599","CCCOc1ccc(C2CSc3nnc(COc4ccc(C)c(C)c4)n3N2C(=O)CC)cc1"]
["154604310","CSC[C@@H](C)C(=O)N1CCC[C@@H]1CS(C)(=O)=O"]
["MCULE-1600704213","Cc1cncc(C(O)=Nc2ncc(C)cc2-c2cccc(F)c2)c1"]
["28842867","O=C(OCC(CCC1CCNCC1)c1ccccn1)C(O)(c1ccccc1)C1CCCCC1"]
["186908588","C#CC1(n2cc(Br)cn2)CC1"]
["145507437","COC(=O)c1c(CCCO)c2cccc3c2n1CCS3"]
["91665188","CCCCCCCOC(O)=Nc1cccc(C)c1"]
["176357829","CCc1cc(-c2cnc(C(C)(C)F)nc2)ccn1"]
["90847426","COc1ccc(C2=C(C)C3C(=O)C(CO)=CN=C3S2)cc1"]
["198168144","CC(C)(C)OC(=O)COCCOCCOCCOc1ccc(Oc2ccccc2[N+](=O)[O-])cc1"]
["149427248","O=C1C(Cl)=C(N2CCCCCC2)C(=O)N1c1cc(F)ccc1F"]
["99984599","CCc1csc(=Nc2ccc(F)cc2)n1CC.[O-][Cl+3]([O-])([O-])O"]
["26500195","CCOC(O)=Nc1cc(NCC(=O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c(N)n1"]
["197569128","CC(C)(C)OCCCC1(N)CC1"]
["58620702","CCN(CC)C1CCN(CC2CC(C)(C)CCC2O)C1"]
["MCULE-9657968196","CCCCN=C(O)Cc1ccc(OC)c(-c2cnc(F)cc2C)c1"]
["18786055","C[NH+]=C(O)N=C(O)CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]
["73780227","[C]1=C(N2CCCC2)NCC=C1"]
["MCULE-7964637679","Cc1sc2nc(Cc3ccc([N+](=O)[O-])cc3)n(CC(=O)N(c3ccccc3)C(C)C)c(=O)c2c1C"]
["62048000","COc1ccc(/C=C(/N=C(O)C(C)(C)C)C(O)=NC2CCCCC2)cc1"]
["63032556","Nc1cccc(-c2ccccc2)c1N.O=S(=O)(O)O"]
["13381107","O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(c2ccc(F)cc2)CC1"]
["111318059","COc1ccc(N)cc1CN1CCCC(OC)C1"]
["66747051","CN(C)C(=O)C[n+]1cccc(-c2ccccc2)c1"]
["46125029","CCc1[nH]c(=N)sc1C(O)=NN=Cc1ccc(OCc2ccccc2F)c(OC)c1"]
["200429151","N=C(O)c1[nH]nnc1-c1cc(Cl)c(Br)cc1O"]
["195848532","CCC1CN[C@H](c2nc3ccc(C#Cc4ccc5nc([C@@H]6C[C@@H](CC)CN6C)[nH]c5c4)cc3[nH]2)C1"]
["67118719","CCCC(C)N=C(O)Oc1ccc(N(CCO)CCO)cc1"]
["60519138","CC(CC1(C)C[N+](C)(C)CC1CC1(C(=N)[O-])CC1)C(=N)O.[Y]"]
["169773519","C1CC(c2nnc3n2CCSCC3)CCN1"]
["145947411","Cl.Cn1nccc1CN=C(O)C1CC2CCCCC2N1"]
["15904560","Cc1ccc(-c2nc(OC(C)C)nn2C(=O)C[C@H](C)CC(C)(C)C)cc1"]
["22336683","Cc1nc2ccccc2n1CCCN=C(O)CSc1ccc([N+](=O)[O-])cc1"]
["MCULE-6819765416","CCN(CC)CCN=C(O)C(C#N)=Cc1ccc(Cl)cc1"]
["168329936","Cc1ccc(-n2c(O)c(C=N[C@H]3CCCC[C@@H]3[NH3+])c(O)nc2=O)cc1C"]
["MCULE-1578520803","N#Cc1nc(-c2cccc(C(=O)N3CCOCC3)c2)cnc1N=C(O)CN1CCOCC1"]
["33392581","CCOC(=O)[C@H](C#N)[C@H](CC(=O)c1ccco1)c1ccc(Cl)cc1"]
["44301504","CCOC(=O)C1CCCN(C(=O)CN(C)C(=O)c2cccc3c4c([nH]c23)CCCC4)C1"]
["MCULE-6278445833","CSc1cnn(-c2ccc(F)nc2)c1N"]
["MCULE-4387019531","COC(=O)c1cccc(C(=O)OC)c1-c1cc(C)ccc1O"]
["42314613","COC(=O)c1cnnn1[C@H]1CC(=NOC(C)(C)C)C2=C[C@H](CCCCO)[C@@H](CCCCO)[C@@H]3c4cc(O)ccc4O[C@@]1(O)[C@H]23"]
["150797863","CC(=O)c1ccc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)cc1"]
["111237423","NNc1cc(N(CCCO)C2CCC2)ncn1"]
["49295079","CCN(CC)C(=O)c1ccc(NC(=O)CN2CCC(C(O)=NCC(O)=Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)c(C)c1"]
["173591358","C=CC(C)c1cc(Br)ccc1F"]
["29288834","Cc1c(C)n(Cc2ccccc2)c2c(NCc3ccc(F)cc3)nc(C(N)=O)cc12.Cl"]
["149177187","CCCOc1ccc(C2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C)c2C)cc1"]
["66918260","COc1ccc(C(CN=C(O)CN=C(O)c2ccccc2C)N(C)C)cc1"]
["182090338","CN(C)C(=O)N(C)[C@@H]1CCCN(c2cncc(Nc3ccc(C4CCN(C5CCCC5)CC4)cc3)c2)C1"]
["MCULE-6364760598","CCOc1cc(-c2ccc(OC)c(CC(O)=Nc3nc(OC)cc(OC)n3)c2)ccc1F"]
["126315299","CCc1nnc(SCCCNS(=O)(=O)CC)n1N"]
["182948072","CSc1sccc1S(=O)(=O)c1cccc(-c2nccn2C)c1"]
["188121865","Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1Br"]
["165297550","OC(=N[C@@H]1COC[C@H]1N1CCCC1)c1ccccc1N1CCOCC1"]
["112504586","Nc1cc(F)c(Cl)cc1Sc1nnc(C2CC2)n1C1CC1"]
["MCULE-9450855303","Cc1ccc(C)c(-c2ccc3nc(N=C(O)C4COc5ccccc5C4)sc3c2)c1"]
["54274590","COc1ccc(-c2ccccc2CNC2CC2)cc1C"]
["111466546","CCOC(=O)c1nnn(CC2CC3CCC2C3)c1C"]
["52158830","CC(C)N=C(O)N=C(O)[C@H](C)OC(=O)Cc1csc(-c2ccccc2Cl)n1"]
["162524767","CCc1ccc(OC)c([C@H]2CCN2)c1"]
["137443831","COc1ccccc1N=C(O)Nc1ccc2[nH]c(C)cc2c1"]
["MCULE-5576300095","CCOCCCn1cc(OCC(O)=Nc2c(C)cccc2CC)c(=O)cc1CN(CCOC)CCOC"]
["19917591","CCC(=O)N1CC[NH+](CCC[NH3+])CC1"]
["173790353","C=C1CC(CCC=O)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@H](C[C@H]3CN=C(O)O3)[C@H](OC)[C@H]2CC(=O)C[C@H]2CCC3O[C@@H](C(/C=C/I)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H]3O2)O1"]
["MCULE-5717563556","CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)C2c1cccc(OC)c1OC"]
["1776589","C=CCn1c(SCC(O)=Nc2ccc(C)c(Cl)c2)nc2sccc2c1=O"]
["950370","COC(=O)CCCC(=O)N1CCC(CCC(O)=NC2CC2)CC1"]
["17443677","Cc1cc(C(=O)N(Cc2ccco2)Cc2ccco2)c(C)n1Cc1ccco1"]
["69539948","CCCOC(=O)C(NC(=N)O)C(C)CC"]
["MCULE-2814843259","Cc1ccc(-c2cc(NC(=O)Cn3cccn3)c(C)cc2F)cc1C"]
["180701906","O=C(NC[C@H]1CCCC[C@H]1O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2n1"]
["174821232","O.c1ccc(CSSCc2ccccc2)cc1"]
["6730484","Cc1ccc(CN=C(O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc23)cc1"]
["163017989","CC1CN(C)CCN1Cc1cc(Br)no1"]
["111968090","O=C(O)/C=C/c1ccc(NC(=O)c2cccnc2Cl)cc1"]
["158414754","CC1(C)C(O)=NCCN1CC1(CS(C)(=O)=O)CC1"]
["42217929","NCCCc1nc(CSc2ccc(Br)cc2)no1"]
["52267890","CCCCCCCCCCCCCCCCCCCCCC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=N)nc1O.O=C(O)CCC(=O)O"]
["151268649","O=C1[C@H]2[C@H](C(O)=NCc3ccccc3)[C@H]3C=C[C@]2(O3)[C@H](C(O)=NC2CCCC2)N1C1CC1"]
["118325332","CCOc1cc(CCCNC(=NC)NCC(Cc2ccc(F)cc2)C(=N)O)ccc1OC.I"]
["64366004","CC(C)(C)CC(C)(C)N=C(O)C1N(CCCO)C(=O)[C@@H]2[C@H](C(O)=NCc3ccccc3)[C@H]3OC12CC3Br"]
["111437106","OC1=Nc2cc(CNCC3CCCCO3)ccc2OC1"]
["2503103","CCO[C@H]1CCCN(C(O)=[NH+]C[C@H](c2ccco2)N(CC)CC)C1"]
["58949381","CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCCC(C)C"]
["32036585","CC(=O)OC(C)(C)/C=C/C(=O)C(C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"]
["MCULE-3648323661","Cc1cc(NC(=O)CN(C)C)cc(C)c1-c1cc(F)ccc1C#N"]
["195072328","COc1ccc(-c2csc(=Nc3cccc4ccccc34)[nH]2)cc1[NH+]([O-])O"]
["136046683","CS(=O)(=O)CCN=C(O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1"]
["126930979","C=CCN(Cc1ccccc1F)C(O)=NCCN=C(C)O"]
["15918630","COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C(C)C)cc1"]
["159036593","N#CC[C@@H](c1ccc(Br)nc1)N1CCOCC1"]
["107628420","C[C@H](CC(=O)O)[C@@H]1CCN(C)C1"]
["MCULE-3750005358","Cc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)c(C(O)=NC2CN3CCC2CC3)c1"]
["196521089","Cc1nc2ccc(-c3noc(C(F)(F)F)n3)cn2c1S(C)(=O)=NCc1cnn(C)c1"]
["137122600","CCC1(C(=O)N2CCC(OCC(C)C)CC2)CCCN1.Cl"]
["MCULE-8713784990","CSc1ccccc1-c1ccc2nc(N=C(O)c3c(C)ncnc3C)sc2c1"]
["95402760","Nc1cccc(-c2nccn2CCCC(F)(F)F)c1"]
["69441476","Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1Cl"]
["MCULE-8194625044","CC1(C)CN(c2cc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc(-c3ccc(F)cc3)n2)C(c2ccccc2)c2ccccc21"]
["121310457","CN1CCN(c2ncccc2CN=C(O)C2Cc3ccccc3CN2)CC1"]
["115496350","Cc1ccccc1C1/C(=C(\\O)c2ccc(Br)cc2)C(=O)C(=O)N1c1ccc(F)c(F)c1"]
["144472378","CC1(CO)CCN(C(O)=Nc2cccc(C(F)F)c2)CC1"]
["MCULE-2116410995","CC(C)(C)c1ccc(-c2cccc(C(O)=NCCN3CCC(Cc4ccccc4)CC3)c2)cc1"]
["184491179","Cc1ccc(-c2nc3cc4c(cc3o2)C(=O)C2=C=C=CC=C2C4=O)cc1"]
["47350681","CC(Nc1ccc(F)cc1F)c1ccccc1Cl"]
["78404518","C=CC1CCC(C2CCC(c3ccc(C4=CCC(c5ccc(CCC)c(F)c5)CC4)c(F)c3)CC2)CC1"]
["33991689","COc1ccc2c(c1)N(C(C)=O)CCC21C(=O)N(CCc2c[nH]c3ccccc23)C(=O)N1C"]
["MCULE-9004102626","COc1ccc(-c2csc(CCNC(=O)c3ccc(CN)cc3)n2)cc1"]
["138926987","CN(C)C(=O)c1cccc(S(=O)(=O)NC2C3CCc4ccccc4C32)c1"]
["185497509","CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1cccc(C(F)(F)F)c1"]
["136762578","CN(C)CC(N=C(O)C1CC1c1ccc2c(c1)OCCO2)c1ccccc1"]
["164785038","Cc1ccc(OCC(C)N=C(O)CCSc2ccccc2)cc1"]
["181464246","CCC(CC)CNCC=O"]
["170090862","C[C@@H]1CN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2nc(C2(C(F)(F)F)CC2)n3C)C[C@@H]1N"]
["MCULE-1397897409","COC(=O)C=C(C)N=C(O)c1cc(O)c2cccc(O)c2n1"]
["20798347","CN(CC(O)=Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccc(Cl)s1"]
["105519910","Cc1ccc([C@H](O)CNc2cccc(C#N)c2)c(C)c1"]
["170209249","C=CCC(=O)CC1CC2NC1CC2CC(C)(O)CC"]
["11189462","CCOC(=O)[C@H]1[C@@H]2N=C(S)N(c3cccc(Cl)c3)[C@@]1(C)Oc1c(Cl)cc(Cl)cc12"]
["173802154","CC1=C(O)CCC(/C(=C(\\CCCO)[C@H]2C=C[C@H](C)CC2)c2ccc(C3CCN(C4CC4)CC3)cc2)=C1"]
["110780068","COc1ccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)cn1"]
["67066885","O=C(Cc1cc(Cl)ccc1OCCO)c1cnn2cccnc12"]
["168703734","COc1ccc(S(=O)(=O)NN=Cc2cc([N+](=O)[O-])cc(I)c2O)cc1OC"]
["57598784","Cc1ccc2nc(-c3ccc(C)c(N=C(S)N=C(O)CC45CC6CC(CC(C6)C4)C5)c3)oc2c1"]
["MCULE-8035252382","CC(=O)c1ccc(F)c(-c2ccc(CCC(O)=NCCF)cc2)c1"]
["13669268","C[C@H](N=C(O)c1ccoc1)C(O)=NCc1ccccc1S(=O)(=O)N(C)C"]
["5069842","CC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccccc4)C[C@H]23)CC1"]
["172664327","CO[C@H]1CN(C(=O)c2ccc3cc(-c4ccccc4C(F)(F)F)ccc3c2)C[C@@H]1O"]
["MCULE-4075282624","COc1ccc(N=C(O)c2cc(C)cc(-c3cccc4c3cnn4C)c2F)cc1OC"]
["84976690","CC(C)(C)OC(O)=NC1CCC(NC2CC2(C)C)C1"]
["34195424","CCOC(=O)c1ccc(N2Cc3cnc4[nH]c(=N)[nH]c(=N)c4c3C2)cc1"]
["88148487","Cc1c(-c2ccc(C(C)C)cc2)[nH]c2nc3cc(C(=O)O)ccc3n12"]
["45689694","CCN(CC1CCC(N)C1)C(C)COC"]
["162813926","N[C@@]1(CO)C(O)=Nc2c(Cl)cccc21"]
["151673270","Cc1ccc([C@H](C)CCN2CCn3nc(CNS(C)(=O)=O)cc3C2)o1"]
["85841487","CCNC1CCC(N(C)CCOCC2CC2)C1"]
["131344121","CCn1ncc2ccc(NC(O)=NCc3cc(OC)ccc3OC(F)F)cc21"]
["169240077","CC1CN(c2cc(F)c(-c3ccc(OCC4CC4)cc3)cc2N=C(O)c2cnc(O)cc2C(F)(F)F)CC(C)N1C"]
["26143377","COc1cccc(-n2ncc(C(=O)O)c2C)c1"]
["24246601","N#Cc1ccc(/C=C/C(=O)N2CC(=O)N(CCc3cccs3)c3ccc(C(=O)O)cc32)cc1"]
["79017975","CN(C)[C@@H](C(=O)N1CCCC1(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)C4(C)CCCN4C(=O)[C@@H](c4ccccc4)N(C)C)cc3)o2)cc1)c1ccccc1"]
["MCULE-8388914752","COC1(C)CN(C(=O)c2c(C)cc(-c3ccc4ccccc4c3)cc2C)C1"]
["30366028","CC(C)(C)OC(=O)C(Cc1ccc(-n2c(=O)n(CC(=O)O)c3cccnc32)cc1)N=C(O)C1N(S(=O)(=O)c2cccnc2)CSC1(C)C"]
["82290002","COC1(N=C(O)CSCC#N)C(=O)N2C(C(=O)Nc3ccc(C(=O)O)cc3)=C(CSc3nnnn3C)CSC21"]
["MCULE-8561276136","Cn1cc2c(n1)CCN(C(=O)C1(N=C(O)OCC3c4ccccc4-c4ccccc43)CCCCC1)C2"]
["127829626","COc1ccc(O)c(CN2CCCN(c3ccccc3C#N)CC2)c1"]
["58661602","CCC[C@H](N=C(O)C(F)(F)CCCc1ccccc1)C(=O)c1nc2ccccc2o1"]
["185606617","CC1(C)OB(c2cnn(C3CN(C(=O)OCC#N)C3)c2)OC1(C)C"]
["10721753","COc1ccc(C[NH+](C)C[C@H]2CCCN(CCc3ccccc3C)C2)cc1Cn1ccc[nH+]1"]
["158269316","CN(C[C@@H]1CCN(S(C)(=O)=O)C1)C1CCCCC1"]
["94583422","CCCC(O)CN=c1cc(C#N)cc(C)[nH]1"]
["29652761","O=S(=O)(Cc1cc(F)cc(F)c1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)CC1"]
["174134124","CC(C)(C)c1cc(-c2cc3c4c(c2)N(c2ccccc2)c2c(c5oc6ccccc6c5c5c2oc2ccccc25)B4c2ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc2N3c2ccc(C(C)(C)C)cc2-c2ccccc2)cc(C(C)(C)C)c1"]
["MCULE-7148392943","CC(=O)c1ccc(F)c(-c2cc(CC(=O)N3CCC(F)C3)cc(C(F)(F)F)c2)c1"]
["86328438","CCCN(CCN(C)C)c1cc(NCC)[nH]c(=N)n1"]
["29639996","N=C(O)[C@H](C(O)=Nc1ccc(N2CCOCC2=O)cc1F)N(CC1CCC1)CC1CC1"]
["193067663","CCCCOc1ccc(N(N)c2ccccc2)cc1.O=S(=O)(O)C(F)(F)F"]
["122817057","O=C(CCn1c(=O)oc2ccccc21)OC1CC2CCC1C2"]
["155705076","O=C1C[C@@H](c2cn(-c3cccc(Cl)c3Cl)nn2)Oc2c1ccc1c2CCCC1"]
["49586850","Fc1cccc(CNCCOCC(F)(F)F)c1"]
["132395785","CC(C)OCCCOC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F"]
["135701397","O=C1CC(N=C(O)Nc2ccc(F)cc2OCC2CC2)CN1C1CC1"]
["80386820","CN=C(O)C(C)N=C(O)C(C)Oc1ccc(Cl)cc1"]
["135403742","CC(C)(CN=C(O)CCC1CCOCC1)c1ccccc1F"]
["MCULE-3979587390","COc1ccc(-c2ccc(CC(O)=NCCCSC)c(OC)c2)cc1"]
["156460992","OC1=NCCN1C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1"]
["122563468","O=C(CCNC(=O)c1ccc[nH]1)N=c1cc[nH]cc1"]
["111859919","OCc1c(Cl)cccc1N1CCc2ccc(F)cc21"]
["174089785","[B+]=c1c(=[B+])c(=[B+])c(=C2C=C=C(N(c3ccc4c(c3)C(C)(C)C3=[C-]CC[C-]=C34)c3ccc4c(c3)C3(C5=C[CH-][CH-]C=C5c5ccccc53)c3ccc5c(c3-4)=CCCC=5)[C-]=C2)c(=[B+])c1=[B+]"]
["184352831","NC1CC2CCC[C@H](C1)C2O"]
["120062249","O=c1c2ccc(Br)cc2ncn1COCC1CC1"]
["MCULE-7553931691","CCCN1CCN(C(=O)C(C)(CC)N=C(O)C(C)Cc2ccc(F)cc2)CC1"]
["67015271","C[C@H](OC(=O)c1n[nH]c2ccccc12)c1ccccc1Cl"]
["70085705","Cc1cc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(C=Cc5ccccc5)nc4c3n2)ccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C=Cc4ccccc4)nc3c2n1"]
["30810552","COc1ccc(-c2cnc3ccc(=NC4CCC(O)CC4)[nH]n23)cc1"]
["110459439","O=C(Nc1cccc(OCC(F)F)c1)c1cccs1"]
["140287905","CCOc1ccc(NC(=O)CCN2CCN(c3nc(C)c(C)s3)CC2)cc1"]
["87792971","COc1ccc(C(=O)CCO)c(Cl)c1"]
["92545629","CC(C)=CC(=O)CC1CCCCC1"]
["123411961","CCN(CC(C)C)C(O)=NCCn1ccnc1"]
["109834907","C[C@H]1CCCC[C@]12N=C(O)N(CC(O)=NC[C@@H]1CCCN(Cc3ccccc3)C1)C2=O"]
["MCULE-7928393739","CCCCC(N=C(O)c1ccc2cc[nH]c2c1)C(O)=NCc1cc2cc(C)ccc2nc1O"]
["185943681","N#Cc1ccc(N2C3CCC2CN(CC2CCC4C(C2)N=C(O)C2CCCNC24)C3)nc1"]
["167517308","N#CCC(C1CC1)n1[nH]c(Nc2ccc([C@H](N3CCSCC3)C(F)(F)F)cc2)c2c(=O)nccc1-2"]
["132775493","C[C@H](N)C(=O)N(Cc1cccc(O)c1)CC1CC1.Cl"]
["142921788","COC(=O)CC(C)(C)CC(O)=NCCc1ccccn1"]
["170129863","COC(CN(C(=O)C(C)C)c1cc([N+](=O)[O-])ccc1C)OC"]
["112326113","COc1cccn2c(O)ncc12"]
["45996848","COc1ccc(OC)c(CN2CCN(CC(=O)OCc3ccccc3)CC2)c1"]
["132948389","COc1cc(CNC(=O)C(=O)Nc2cccc(-c3csc(C)n3)c2)ccn1"]
["126152754","CC(C)CC(C)N(C)C(=O)CN1CCN(C(=O)c2ccc(O)nc2)CC1"]
["50110546","OCC(c1cccc2ccccc12)N1CCN(c2ncc(C(O)=NOC3CCCCO3)cn2)CC1"]
["92993287","NNC(Cc1cc(Cl)ccc1Cl)c1ccc(F)cc1F"]
["MCULE-2370623287","COc1ccc(NC(=O)COc2cn(CC(C)C)c(CN3CCCC(C)C3)cc2=O)cc1"]
["11796556","Cc1cccc(C(O)=N[C@H](C)C(O)=NCc2ccc(-n3cccn3)nc2)c1"]
["MCULE-4078021297","CCc1noc(C)c1C(=O)N=c1cc[nH]cc1-c1cc(F)cc(F)c1OC"]
["171148708","CNC1(C(C)O)C=Cc2ccccc2C1"]
["128567359","Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CSc2ccccc2)cc1"]
["195834285","O=c1cnc(-c2nc3ccccc3n([C@H]3C[C@H]4CCCCC3CN4C3C[C@H]4CCC[C@@H](C3)C4)c2=O)c[nH]1"]
["MCULE-7003262990","Cc1ccc(OCC(C)C)c(N=C(O)CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1"]
["MCULE-1009684600","COC(=O)c1ccc(C(=O)Nc2ncccc2C(=O)OC)cc1"]
["137743318","CCc1cc(C(O)=NN=C(O)c2sc(-c3ccccc3)nc2C)cc(O)n1"]
["27384714","O=C1[C@@H](N=C(O)Cc2ccccc2)[C@H]2SCC(Sc3ccc(Cn4ccnc4)cc3)(C(=O)O)CN12"]
["74045844","CCC(C(=O)O)c1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc(C#N)ccc34)C(F)(F)C(F)(F)F)CC2)c(OC)c1"]
["183244593","CCCCOC(OC(C)(C)C)C(=O)N=[N+]=[N-]"]
["93062814","COc1ccc2c(n1)N1C(CN2)CC2CCCCC21"]
["125889047","CS(=O)Cc1ccc(Cl)c(NCCCOc2ccc([N+](=O)[O-])cc2)c1"]
["53403617","C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1"]
["MCULE-2939266364","N#Cc1cc(NC(=O)Cc2ccc(-c3cccc(C(=N)O)c3)cc2)ccc1F"]
["159838410","Cc1cccc(C)c1OC(O)=Nc1ccc(N)c(Cl)c1"]
["1265073","CN(C1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)CCCCC#N"]
["173566737","C/C(N)=C/C=C(\\N)C=O"]
["133350429","CCCN1CCC(CNC(CCCOC)c2ccc(Br)cc2)C1"]
["127720928","O=C(NCC(CO)c1ccccc1)c1cc(COc2ccccc2F)on1"]
["90098415","c1ccc2nc(C3CCCN3)cnc2c1"]
["18239635","COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(O)=Nc4sc5c(c4C#N)CCCC5)c3n2)c1"]
["MCULE-3881139528","Cc1cnc(C(=O)Nc2cc(-c3c(C)n[nH]c3C)ccn2)s1"]
["26573252","CCOc1ccc(C(=O)c2csc(-c3ccc(OCC)c(OCC)c3)n2)cc1OCC"]
["188394169","CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\C(=O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\\CCCCCCCC)COP(=O)(O)OCCN"]
["82646623","CC(c1c[nH]c2ccccc12)C1(C(=N)O)CCC2C3CCC4N(C)C(=O)C=CC4(C)C3CCC21C"]
["186433031","CCCCC(CC)CO[13C](=O)[13CH2][13CH2][13CH2][13CH2][13C](=O)OCC(CC)CCCC"]
["119438221","Cc1csc(SCC2CCCC2)n1"]
["54742789","Cn1nc(-c2ncc(Cl)c(Cl)c2F)c(Cl)c1OC(F)F"]
["172968280","Cl.OC(=N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CNC[C@@H]1C(O)=N[C@@H]1C[C@H]1c1ccccc1"]
["154418030","Cc1cccc(N(CC(O)=N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)c1C"]
["48388218","Cc1cccc(N=C(O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c1"]
["73937703","CCCCOC1(OC)C=CC(C(=O)c2ccccc2O)=C(O)C1"]
["50036770","CNC1CCC(Oc2sncc2N=C(O)c2nc(-c3c(F)cccc3F)sc2N)CC1"]
["27851586","Cc1ccccc1C(=O)N1CC(=O)[C@@H]2C1CCN2C(=O)[C@H](Cc1ccc(O)cc1)N=C(O)c1cccc(Br)c1"]
["24167250","CN(C)CCN=C(O)c1cccc(CN)c1"]
["75103813","CC(C)(C)CCCCCC(C)(C)C(=O)OOOC(C)(C)c1ccccc1"]
["9253676","COc1ccccc1C(=O)Oc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1-c1ccccc1"]
["137350690","Cc1ccc(C#N)cc1S(=O)(=O)NCc1nnc2ccccn12"]
["27272671","CC(O)=NCc1nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2s1"]
["14380647","COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(O)=NC1CCCCCC1"]
["174033395","COC[C@H]1O[C@@H](n2cc(C#CCN)c(=N)nc2O)CC1N=[N+]=[N-]"]
["162463170","CC(=NN)c1nc(C(F)(F)F)cs1"]
["43318180","CC1(C)CC2=C(C(C3=C(F)C=C(OCC4=CCCC=C4)CC3)N(C(=O)C3=CC=CNN3)C3=CC=CC(=O)C3=N2)S(=O)(=O)C1"]
["197403771","CC(N)(CO)Cc1cc(Cl)c2c(c1)OCO2"]
["99780792","N=c1[nH]cnc(Cl)c1C=NC1CCCCC1"]
["12910225","CCOC(=O)[C@H]1CCCCN1c1ccccc1N"]
["120327105","CCC1CCN(C2(C(F)(F)F)CC2)CCC(C)N1"]
["140320752","O=S(=O)(c1ccccc1Cl)N1CCN(Cc2noc3c2CCCC3)CC1"]
["105693069","CCNC[C@@H](CCOC)Cc1ccc(Br)cc1"]
["89776645","CCc1ccc(-c2nc3c(C)cccn3c2N=Nc2ccccc2C)cc1"]
["14075406","CC(=O)N1C=Cc2ccccc2[C@@H]1CC(O)=Nc1ccc(F)c(F)c1F"]
["5821985","OC[C@H]1C[C@@H]2[C@H](C1)[C@H]1C[C@@H]2[C@H](O)C1"]
["53920257","CCCCCCC(O)(CCC)C1CCC(O)C1CCCCSCC(=O)O"]
["55427919","O=C(O)c1ccc(Br)cc1N=C(O)c1csc([N+](=O)[O-])c1"]
["44492041","Fc1ccc(COc2c(Br)cccc2Br)cc1Br"]
["MCULE-6893072803","CCCOc1ccc(C2=C(NC3CCCCCCCCCCC3)C(=O)N(Cc3cc(C)ccc3C)C2=O)cc1"]
["26163429","Cc1ccc(N(C)S(=O)(=O)c2ccccc2)c(OCCCCN=C(O)OC(C)(C)C)c1"]
["186537548","CNc1cccc2c1CCN(C(=O)OC(C)(C)C)C2C"]
["77894203","COC(=O)C1CC(=O)CC(SCc2ccccc2)C1C(=O)OC"]
["MCULE-3438474521","Cc1cccc(C)c1OCC(O)=Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1"]
["84419535","O=C(Nc1ccc(Cn2cncn2)cc1)c1cccc2c1OCO2"]
["19135164","O=C1C[C@H](c2nnc(N=C([O-])c3cccc(F)c3)o2)CN1c1ccccc1"]
["MCULE-5015739086","Cc1cc(N2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)ncc1-c1cccc(C(F)(F)F)c1"]
["MCULE-2747012620","CCC(=O)N1CCC(c2ccc(OC(=O)C(C)C)cc2)CC1"]
["125188407","O=C(C=Cc1ccc(Cl)s1)N1CCC(OCc2ccc(F)cc2)CC1"]
["11916765","C[C@H](c1nc(C(C)(C)C)no1)N(C)CC(O)=[NH+]c1cc(F)cc(F)c1"]
["183192374","O=C(ONS(=O)(=O)c1ccccc1)N1CCCC1"]
["MCULE-6468338904","CCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(Cc2ccccc2Cl)C1=O"]
["118990468","CN=C(NCC1CCCN(C)C1c1cccs1)NC1CCN(c2cccc(F)c2)CC1.I"]
["75722425","COc1cc2c(c(CO)c1C=O)-c1ccc(OC)c(=O)cc1[C@@H](N)CC2"]
["32573704","CCCCCCC(N)CC(=O)C1=CCCCC1"]
["MCULE-5517072816","CCN(CCN1CCOCC1)C(=O)c1ccccc1-c1ccc2c(c1)OCO2"]
["124039591","CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2"]
["90103837","Cc1c(O)c(CO)c(C)c2c1CCCC2"]
["4469011","C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccccc1Cl"]
["MCULE-4757629245","COCCOc1ccc(-c2cc(C)cnc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1"]
["162884111","COCC(C#N)N1CCO[C@@H](C)C1"]
["104572202","CCCN[C@H](c1ccc(Cl)cc1)c1ccsc1"]
["105274338","CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1cccc(C#N)c1)N[C@@H]2C(=O)OC"]
["98853353","N=C(O)N=C(O)Cc1cc2ccccc2cc1OCCCCCCN=C(O)[C@@H](N)Cc1ccc(O)cc1"]
["77503662","Cc1ccc(C=CC(O)=NCC(=O)Nc2ccc(Br)cc2C)s1"]
["107578556","CCCCCn1c(C(C)C)ccc(CN[C@H](C)CC)c1=O"]
["151242951","CC[C@@H]1CN(c2nc(C)cc(OC)n2)[C@@H](CC)CN1CC(C)(C)O"]
["51271465","CCCC(C)(C)SSCCN.Cl"]
["161320218","Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cccn2C(C)C)C1"]
["13947162","Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1N=C(O)c1ccccc1I"]
["59928083","OC1=Nc2ccc(C(O)=NCCc3cc(Cl)c4c(c3)OCCO4)cc2OC1"]
["MCULE-5636235800","Cn1nc(N2CCN(c3ccccc3Cl)CC2)nc1N=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1"]
["94168693","CCNCCOCCc1c(C)c(Br)cc(C)c1OC"]
["65894595","CCC(C)N=C(O)c1ccc(C)c(N=C(O)CCN=C(O)C2CCN(CC(O)=Nc3cc(C(O)=NC4CCCC4)ccc3Cl)CC2)c1"]
["25131681","CC12C=CC3=C(CC(C=C3)N1)c1ccccc12"]
["MCULE-7078303279","COc1nc(-c2ccc(SC)cc2)cnc1N=C(O)CN1CCCC1"]
["9819708","CCCS(=O)(=O)N1CCC(C(O)=Nc2ccc(N(C)C)cn2)CC1"]
["156796416","Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C)ccc1F"]
["129174122","COc1cc(NC(O)=NCC2CCOc3ccccc32)ncn1"]
["68316281","N=C(N=C(O)c1ccnc2ccc(N)cc12)Nc1ccccc1"]
["MCULE-5391160942","O=S(=O)(c1ccc(Cl)c(Cl)c1)N(CCCOc1ccccc1)C1CCCC1"]
["68312944","COc1ccc(Cl)cc1N=C(O)[C@@H](C)Oc1ccccc1C=O"]
["176269871","CC(C)(CO)CC1CCCCC1.CNCCN(C)Cc1cnn(C)c1"]
["103688700","Cc1cccn2c([C@@H](C)Cl)c(-c3ccc(C(C)C)cc3)nc12"]
["MCULE-4168160529","OC(CSc1ccncc1)=NC1Cc2ccc(-c3ccnc(F)c3F)cc2C1"]
["7741236","O=C(NCCCn1cncn1)C(=O)N1CCCc2cc(F)ccc21"]
["97098326","CCN(CC)C1=NS(=O)(=O)C(Sc2ccccn2)=C1c1ccc(OC)cc1"]
["174424795","C#CC(C)(C)Nc1ccc2c(c1)CC(=C)C=C2C"]
["149054568","Cc1ccc2c(c1)-n1c3ncccc3c(=O)c3cccc(c31)C21c2ccccc2-c2ccccc21"]
["187136141","CCN(C)CCNc1cc(=O)c1=O"]
["62509915","Cc1nc[nH]c1CNC(C)c1ccsc1"]
["107842142","Cc1cc2c(cc1C)[C@@H](c1cccc(Cl)c1)NCC2"]
["114824098","Cc1ccc(Sc2cc(C)nn2C)c(CN)c1"]
["188816144","c1ccc2cc(C3=NC(c4c(-c5ccc6c(c5)sc5ccccc56)ccc5oc6ccccc6c45)NC(c4ccc5ccccc5c4)=N3)ccc2c1"]
["3538572","CCN1C(=O)c2c(C(O)=NCc3ccccc3Cl)ncn2C[C@]1(C)C(O)=NC1CCCC1"]
["94714858","CCC(C)C(c1ccccc1)C(CCCS(C)(=O)=O)NC"]
["160896585","CC1CCC(C)(C)N1C(=O)c1cc(C(C)(C)C)nn1C"]
["44145224","CCC1CN(c2ccc([N+](=O)[O-])cc2N)CCO1"]
["91475420","CC(C)(C)OC(=O)Nc1ccc2ccc(C(=O)O)cc2c1"]
["MCULE-6799390426","COc1cccc(CNCCC(O)=Nc2ncc(C)s2)c1OC"]
["107501827","CC(C)(C)OC(=O)N1C[C@@H](N)C2(CC2)C1"]
["31706821","CCOC(=O)c1nnc(-c2cccc(F)c2)nc1Nc1ccc(Cl)cc1"]
["174093810","CC(S)CCCCC1OB(O)c2cc(C(C)C)ccc21"]
["163158117","O=Cc1c(CO)cccc1C(F)(F)F"]
["128670172","CC(=O)N1CCC(CN=C(O)N(C)Cc2nc(C(F)(F)F)cs2)CC1"]
["183178492","Cc1ccc(CN(C(=O)Nc2ccc(C#CC3CC3)cc2)C2CCCC2)o1"]
["99914466","Cc1ccc(-c2sc(N=C(O)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(Cl)c(C)c1"]
["153117934","COc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C"]
["6970588","CCc1ncc(C([O-])=NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s1"]
["23282885","C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(C)c3nc4ccccc4s3)CC2)c1"]
["18363661","C[C@@H](Sc1ccc(Cl)cc1)C(O)=Nc1ccc(Cl)cn1"]
["46549559","COc1ccc(N=C(O)C(C)N=C(O)C2CCN(C(C)C(O)=Nc3ccc(Cl)c(C(=O)N4CCCC(C)C4)c3)CC2)cc1N=C(O)c1ccccc1"]
["1207112","C[C@H](N=C(O)c1ccoc1)C(O)=Nc1ccc2c(c1)OC1(CCCC1)O2"]
["168957045","O=C(OCc1ccccc1)N1C[C@H]2CC(O)(c3cccnc3F)C[C@@H]2C1"]
["MCULE-7520053546","CCn1nc(C)cc1C(=O)Nc1cccc(F)c1-c1ccc(OC2CCCCO2)cc1"]
["95140991","CCC1SCCSC1c1noc(CCNC(C)C)n1"]
["MCULE-1163533432","Cc1cnccc1C(=O)N1CCc2ccc(-c3cncnc3)cc2C1"]
["75046176","CNc1cc(OCCOC)c(OCCOC)cc1C(C)=N"]
["29045479","CCn1cc(-c2ccc(CC(CC(=O)N(C)C)N=C(O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)=O"]
["48374000","Cc1ccccc1C(O)=Nc1cc(N=C(O)C(N=C(O)C2CCN(CC(O)=Nc3cccc(C(=O)N(C)C)c3C)CC2)C(C)C)ccc1F"]
["182480389","CCCC=COC(OC=CCCCC)C(ON=[N+]=[N-])=C(OC=CCCCCC)OC=CCCCCCC"]
["7561831","CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=N)O"]
["132894076","COc1cccc2c1OCC(NS(=O)(=O)c1cn(C)c(C)n1)C2"]
["159092015","BrCc1nnc(C2CCOCC2)s1"]
["97678087","CC(O)CC(CCc1ccccc1)c1ccccc1"]
["181120175","Cn1c(=O)c(N=[N+]=[N-])nc2ccccc21"]
["59291488","OC(=NCc1ccccc1Cn1cncn1)c1ccccc1OCCOc1ccccc1"]
["174521006","CN(C)C(CC=CC(=O)O)C(=O)c1ccncc1"]
["33792767","C/C(=C/Cc1cccc2c(C(=O)c3oc(C(=O)O)c(-c4ccc(C5CCCCC5)cc4)c3O)c[nH]c12)CO"]
["MCULE-2466710271","OC(=NC1Cc2ccc(-c3ccc(C(F)(F)F)nc3)cc2C1)C1CCCN1Cc1ccccc1"]
["177782483","CN(C(=O)C1(C)CCC1)[C@H]1CCN(C(=O)c2ccc(NCc3cnccc3C(F)(F)F)nc2)C1"]
["14089679","O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O)N1CCCC1"]
["170751753","c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6ccccc6cc5n4)c4ccccc34)c3ccccc23)cc1"]
["157593704","O=S1(=O)CCC(S(=O)(=O)N2CCc3ccc(Br)cc32)CC1"]
["163331415","COC(=O)c1cc(CBr)c(N)c2sccc12"]
["170414233","CC1=CC(=O)C(C(C)C)=C(C)C1=O"]
["132579346","COc1ccc2c(c1)CC(C(O)=NC1CCCC1O)CO2"]
["49427743","CCOc1ccccc1Oc1ccc(CN=C(O)N(C)Cc2cccc(Cl)c2)cn1"]
["30220571","CC(c1ccc(-c2ccc(C(=O)O)cc2)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F"]
["51019960","O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-n2cccc2)cc1"]
["191359023","O=C(Cc1ccc2c(cnn2-c2ccc(CC(=O)c3cccs3)cc2)c1)c1ccc(CC2CCCCC2)cc1"]
["152177405","O=C(COC(=O)CCC(O)=Nc1cccc2ccccc12)Nc1ccc(Oc2ccccc2)cc1"]
["26942667","Cc1ccccc1OC(C)(C)C=O"]
["99277239","CC(C)CS(=O)(=O)N1CC[C@@H]2Oc3ccc(-c4cccnc4F)cc3[C@]3(COC(=NC(=O)OC(C)(C)C)N3)[C@H]2C1"]
["MCULE-9859061432","COc1cccc(OC)c1-n1cc(Br)c(C)n1"]
["MCULE-1290607816","CC(=O)c1c(-c2ccsc2)cnn1C"]
["175695528","CC(C)(C)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"]
["169829997","Cc1c2cc(CC(C)(C)C)ccc2c(CC(C)C)c2[s+]c3cc4ccc(CC(C)(C)C(F)(F)F)cc4c4c3c(c12)N(C)C=C4"]
["170951234","CCCCCCC[C@@H](F)Oc1cccc(C)c1[C@H]1Oc2ccccc2OC1=O"]
["127525151","CCS(=O)(=O)CC(C)NCc1ccc(C)c(OC)c1"]
["112671417","Cc1c(O)cccc1C(O)=NCc1ccncn1"]
["171664173","CC1(C)c2cc(-c3ccc(C4NNNC4C(=O)O)cc3)ccc2C(=O)N1CC(F)(F)F"]
["15037630","CCCN(Cc1cccn1Cc1nc(C(O)=N[C@H](C)C(C)C)cs1)C(=O)c1ccccc1F"]
["22803535","CC(C)(C)N=C(O)c1cnsn1"]
["86008203","CCc1ccc(CC(NC)c2cnn[nH]2)cc1"]
["136554197","CC(C)CCOC1CCN(C(=O)C(N=C(O)Cc2ccccc2)C(C)C)CC1"]
["95359322","CCCOc1ccc(CN)c(OCCc2nccn2C)c1"]
["67829770","O=Cc1cccc(Oc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)c1"]
["88510903","CCN(CC)C(=O)CN(C)c1ccc(N)c(OC(C)C)c1"]
["172924208","OC(=N[C@@H]1CCN(CC2CC2)C[C@H]1C(O)=NC1(c2ncccn2)CC1)c1cc(C2CC2)on1"]
["114923070","Cc1cccc(C(O)=NC(C)C(C)CBr)c1I"]
["MCULE-6045546536","N#Cc1cc(NC(=O)COc2ccccc2)ccc1-c1cncc(F)c1"]
["140150267","CN1CCC(CCN=C(O)Cc2ccc([N+](=O)[O-])cc2Br)CC1"]
["49581440","CNC(C)O.O=C(O)C1CCCCC1"]
["MCULE-4627721632","COc1ccc(C2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCc2nc3ccccc3[nH]2)cc1OC"]
["139333461","CC(C)OC1CCC(N=C(O)COCC2CCOC2)CC1"]
["50915531","COc1ccc(C2/C(=C(\\O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1"]
["123987179","CC(C)(C)OC(O)=NCCC(=O)N1CCN(CC2CC2)c2ccccc21"]
["87761792","CC(C)COc1cccc(F)c1C(=N)N.Cl"]
["MCULE-4301478681","CCOC(=O)N1CCC(N=C(O)C(C)(C)NC(=O)c2ccc(-c3ccccc3)cc2)CC1"]
["196741605","N#Cc1ccccc1-c1ccc2oc3cc4c(cc3c2c1)oc1ccc(C2=CC=CC(C#N)C2n2c3ccccc3c3ccccc32)cc14"]
["196308762","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OCC(COCCCCCCCCCC/C=C\\C/C=C\\C/C=C\\CC)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC"]
["16349575","C[C@H](C(O)=NCCc1ccccc1)[S@](=O)Cc1cccc(F)c1"]
["48303913","O=Cc1ccc(C(=O)Nc2ccc3c(c2)C(=Cc2cc4c(o2)CCCC4)C(=O)N3)cc1"]
["31762401","O=C1O[C@H]([C@@H](O)CO)C(OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C1O"]
["103095632","OC(/C=C\\c1ccco1)=NCCc1nc2ccccc2[nH]1"]
["159718685","N#Cc1ccccc1N1CCCN(C(=O)C2CCC(=O)CC2)CC1"]
["145004801","CC(C)n1ccn(-c2ccccc2C(N)C(=O)O)c1=O"]
["65536984","O=C1C(=O)N(Cc2cccnc2)C(c2cccc([N+](=O)[O-])c2)/C1=C(\\O)c1ccc(OCc2ccccc2)cc1"]
["42343501","Cc1ccc(Nc2ncnc(NN=C(O)c3ccccc3)c2N)cc1C"]
["MCULE-3295603985","CCCOc1cccc(C2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2c2cccc(Cl)c2)c1"]
["MCULE-3543093724","C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(C)cc2)cn1CCc1cnc[nH]1"]
["14393933","CO[C@@H](C)CC(=O)N1CSC[C@H]1C(O)=Nc1ccccc1F"]
["84650069","COc1ccc(C(O)C2(CN)CCCCC2)cc1"]
["105789053","O=S1(=O)CC[C@H]([C@]2(CNC3CC3)CCS(=O)(=O)C2)C1"]
["13732545","Cc1ccc(Cn2nccc2NC(=O)[C@H]2C[C@@H]2C)cc1"]
["180588945","CC(C)(C)CCCCC(CC(C)(CCSSCCN1CCOCC1)CCC(C)(C)C)SSCCN1CCOCC1"]
["142782192","COc1ccc(Cl)cc1CN=C(O)C1CCN(C(=O)c2ccccn2)CC1"]
["43229590","CCC1(Cl)C(=O)N(Cc2ccccc2)C(=O)N=C1O"]
["105052692","C[C@@H](N)CCCc1ccccc1Cl"]
["CSSS20572379230","COC(=O)C1(C2(O)CCC(NCc3ccc(C(F)(F)F)cc3F)CC2)CC1.O=C(O)C(F)(F)F"]
["143525541","CCCCCS(=O)(=O)Cc1ccc(Cl)c(Cl)c1"]
["48986471","Cc1cc(Br)cc(C)c1NC(=O)C1CNCC1C"]
["112636288","CCC1OCCC1C(Br)Cc1ncccc1C"]
["92671913","CC(N=c1ccc(C#N)c[nH]1)C(O)=NC(C)(C)C"]
["CSSS06595062088","O=C(CN1CCCC(Oc2ccccc2)CC1)N1CCNCC1"]
["4386012","N=C(O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)c1ccccc1Cl"]
["148139889","CN(C)CCOc1cccc(CN=C(O)C2CC3CCCC(C2)C3N)c1.Cl.Cl"]
["93317294","CCC(CC)CC(=O)c1ccc(C)c(C)c1"]
["MCULE-8843694093","N[C@@H](CCC(=O)O)C(O)=Nc1cc(Cl)ccn1"]
["MCULE-1735600676","Cc1cc(Cl)ccc1NC(=O)C(C)NC(=O)c1cc(C)n(-c2ccccc2)n1"]
["127007025","Cc1ccc(F)c(CNC2(c3nc(C)cs3)CCCC2)c1"]
["25086406","CC(C)C(=CC#N)C(F)F"]
["15737974","N#Cc1cccc(C(O)=NCCc2nc3ccccc3[nH]2)c1"]
["32148352","C[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccco1"]
["MCULE-2703235764","O=C(CN1CCCC1)N=c1cc[nH]cc1I"]
["45921769","C=CC(O)=NC(C)CSC(C)C"]
["29458100","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CCNC3)[C@H](CCCN)[C@H]12"]
["105210184","CCC[C@](C)(N[C@@H](C)CCCC(C)C)C(=O)O"]
["174503894","CCCCOC(C)[C@@H](C)O.CCOC(=O)CCNCCCN(C[C@H](C)C[C@@](C)(O)[C@H](OC1CC(N(C)C)CC(C)O1)[C@@H](C)[C@H](O)C(C)C=O)C(C)C(O)[C@](C)(O)[C@@H](CC)OC"]
["94752011","CC(C)=CC(=O)C1CCNc2ccccc21"]
["148332200","COCC1(C(=O)O)CCN(C(=O)c2sc(C3CCCC3)nc2C)C1"]
["33999721","CCSc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)n1"]
["101457750","c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3N(c3ccccc3)c3ccccc3-5)c2)cc1"]
["160797289","C=CC[SiH].[Zr+2]"]
["142521664","CCc1noc(CC)c1CN=C(O)Nc1ccc(Cl)c(C(O)=NC)c1"]
["139975083","CCC(N=C(O)CC(C)c1c(C)noc1C)c1cccc(S(N)(=O)=O)c1"]
["138254600","CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c([N+](=O)[O-])cnn1C"]
["182050513","N=C1C=CC=C(C(F)(F)S(=O)(=O)[O-])C1F"]
["34333939","CS(=O)CCC(N=C(O)OC(C)(C)C)C(=S)O[Si](C)(C)C"]
["104391168","CCN1C[C@H](CN(C)C(=O)c2ccc(NCCOC)c([N+](=O)[O-])c2)Oc2ccccc21"]
["1389514","Cc1nn(C)c(C)c1[C@@H](C)C(O)=Nc1ccc(OCc2ccccc2)nc1"]
["54943935","O=C(OCC(O)=Nc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1"]
["123441909","CCCN(CC)c1ccc(C(=O)N2CCOC3(CCc4ccccc43)C2)cn1"]
["68347627","Cc1nnc2n1C1CCCCC1N(CCC(=O)N1C3CCC(F)CC3CC[C@H]1C)C2=O"]
["8569753","COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)s1"]
["172161121","Cc1cc2c3ccccc3c3ccccc3c2nc1C"]
["152713323","CCc1ccc(N=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1"]
["MCULE-9662474323","CCCCOc1ccc(C2C(C(O)=NCc3cccs3)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1"]
["MCULE-7362551132","CN=C(O)c1cccc(-c2cnn(C(C)C(O)=Nc3nc(C)cc(C)n3)c2)c1"]
["79667263","C=CCCc1ccc(/C=N/N=C/c2ccc([C@H]3CC[C@H](C)CC3)cc2)cc1"]
["25587629","CCOC(=O)Cn1c(=O)sc2cc(-c3ccccc3)c(Cl)cc21"]
["184613749","CCCC(Oc1c(Cl)cccc1COc1cccc(OCC2(C)C=Cc3ccccc3N2)c1)C(=N)O"]
["111821785","CCC(C)(C)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1"]
["11538903","COc1ccc(/C=C/C(O)=N[C@@H](CN2CCCC2=O)c2ccccc2)cc1OC"]
["66380625","CCCCCCCCC(Br)c1ccc(F)cc1"]
["32666021","CC(C)(C)O[C@@H]1C[C@H]2C(=O)N3C[C@H](OC(C)(C)C)C[C@H]3C(=O)N2C1"]
["125659408","Cc1ccc(C)c(-n2ncc(N=C(O)CCC(=O)c3cccs3)c2C)c1"]
["189965228","COC(=O)[C@H](Cc1ccccc1)[C@@H](C)N=C(O)Cc1ccccc1"]
["142858626","Cc1cc(Cl)ccc1OCC(=O)N1CCN(C(=O)C2CCCN2C)CC1"]
["199893596","O=C1N=C(O)CCC1Nc1ccc(N2CCC(C3OC=CO3)CC2)cn1"]
["151562476","Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(O)=NC2CCCCC2)c2cc(C)cc(C)c2)cc1"]
["60304341","Cc1c(C#N)c(N=C(O)COC(=O)CCc2ccc(F)cc2)n(Cc2ccc(F)cc2)c1C"]
["48778865","C=C(C)C(O)=NC1=CC(C(=O)OC)C(O)(C(C)=O)C=C1"]
["165836142","C=Cc1cc(O)nc(B2OC(C)(C)C(C)(C)O2)c1"]
["111710191","COc1cccc(C2CC(O)=NC2(C)C)n1"]
["105664560","CCOC(=O)[C@@](C)(CSc1cc(C)nn1C)NC"]
["133890619","CCCCCCN=C(O)C1CCCN(Cc2nnc(-c3ccco3)o2)C1"]
["126252322","CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cc3c(O)ncnc3cc2F)c1C"]
["385309","CCN(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1"]
["16073493","Cc1nn(-c2ccccc2)c2c1P(=S)(N1CCCCCC1)N(c1ccc(Cl)c(Cl)c1)C(=O)N2"]
["44017504","CCOc1cc(CC)ccc1-c1ccccc1-c1nc(=O)o[nH]1"]
["33587949","CN(C)CCOc1cn(C(=O)c2ccccc2)c2c(Cl)cc(Cl)cc12"]
["62464335","CC(C)(C)OC(=O)[N+]1(C)C2CCC1CC(=O)C2"]
["158220624","CC1CCN(C(O)=Nc2cccc3c2CCO3)CC1"]
["132705446","Cc1cccc(CN=C(O)NC(C)c2c(C)nn(CC(F)(F)F)c2C)n1"]
["177783846","CCN(CC)c1ccc2cc(C3=CC4(c5ccc(N(C)C)cc5O3)c3cc(C(O)=NCCCCOc5c(OC)cc(Cc6c[nH]c(=N)[nH]c6=N)cc5OC)ccc3C(=O)N4S(C)(=O)=O)c(=O)oc2c1"]
["117118503","N#CC1COCCN1C(=O)Nc1ccc(Cl)cc1"]
["106868095","N=c1nc(N2CCC[C@@H](c3nc[nH]n3)C2)cc(Cl)[nH]1"]
["34755293","C[N+]1(CC(=O)c2ccccc2)CCc2ccccc2C1"]
["154191977","C=C1C(=O)O[C@@H]2[C@H]3C(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(=O)C3=C(C)C[C@H](OC(=O)/C=C/c3ccccc3)[C@@H]12"]
["112292848","OC(=N[C@@H]1CCCC[C@H]1O)c1cc(F)c(F)cc1Cl"]
["183109850","CCOC(=O)CN=C(O)CN=C(O)c1ccccc1C(=O)O"]
["66246332","CCCC[C@@]1(CC)CS(=O)(=O)c2ccccc2[C@H](c2ccc(Cl)cc2)N1"]
["14119426","CSCC[C@@H]1N=C(S)N([C@H]2C[C@@H]2c2cccc(F)c2)C1=O"]
["187065013","[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c1"]
["119830075","CC(C(O)=Nc1cc(I)ccc1Br)n1cncn1"]
["169784092","C=C/C=C(Cl)\\C(C(O)=NCc1ccc(OC)c(F)c1)=C(\\Cl)N=O"]
["189196663","C[C@@H]1Cn2cnc(F)c2C(O)=N1"]
["126305445","CCCCCCC1(C)N=C(O)N(CN2CCOC(c3nc(C)cs3)C2)C1=O"]
["2740613","COCCn1/c(=N/C(=O)Cc2cccc(OC)c2)sc2cc(OC)c(OC)cc21"]
["CSSS00094040985","CC(CC(=O)Nc1ccc(Br)cc1)N=c1ccn(CC(F)F)[nH]1"]
["22870395","Br.O=[N+]([O-])c1ccc(CSc2ncc3ccccn23)cc1"]
["179807110","CC1=C(c2cccnc2C)CCN(C(=O)CC23CCC(C(=O)O)(CC2)C3)C1"]
["120528419","Cl.FC1(F)CCNC(c2cccc(Br)c2)C1"]
["2567860","COC(=O)CCN(C)C(=O)C1(c2ccc(Cl)cc2)CC1"]
["13876080","Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1"]
["121169188","CC1(C)CC(=O)c2cc(C(=O)N=c3cco[nH]3)c(O)nc2C1"]
["87842278","CCCC(N)c1nc2cc(C(C)C)ccc2n1CC(C)C"]
["141085651","Cc1c(O)cccc1C(=O)N1CCN(c2ccccc2)CC1"]
["61608183","C[C@@H](OC(=O)CSc1ccc2c(c1)CCC2)C(O)=Nc1ccccc1[N+](=O)[O-]"]
["30956520","COc1ccc(-c2cccc3c2CCC3=O)c(OCC(OC(O)=NCc2ccccc2)C2CC2)c1OC"]
["47188486","CCc1ccc(NC(=O)N(CC2CC3C=CC2C3)C(C)CC)cc1"]
["MCULE-7916052643","O=C(c1cncc(C(F)(F)F)c1)N1CCC(N=C(O)c2ccc3oc(O)nc3c2)CC1"]
["31024049","Cc1csc(S(=O)(=O)N(C[C@@H](C)F)c2cc3c(cc2OCc2ccc(C(=O)O)c(F)c2)CCC3)n1"]
["81781396","CC[C@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC(C)C"]
["74681143","COC(C1C(C(=O)O)C1(C)C)C(Br)(Br)S(=O)(=O)O"]
["MCULE-7232126443","CCOc1ccc(-c2cc(C)cnc2N=C(O)c2sccc2Oc2ccccc2[N+](=O)[O-])cc1F"]
["MCULE-6074647179","CCOC(=O)c1c(CC)nn2c(=O)cc(-c3cccc(F)c3)[nH]c12"]
["111195841","Cc1sccc1-c1ccc2c(c1)CCN2"]
["135266485","O=C(C1CCC1)N1CCCC(CN2CCOCC2)C1"]
["175626611","CC(C)(C)C1C=COCCC1"]
["193705524","c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4cccc5ccccc45)ccc31)C1CC3CC(C1)CC2C3"]
["MCULE-9613475929","Cc1ncsc1C(O)=Nc1ccc(F)c(-c2cnn(C3CCCCO3)c2)c1F"]
["51751103","CCCOC1CN(C(=O)O)CCC1N"]
["33581882","COC(=O)N1[C@H](C)C[C@@H](OC(=O)c2ccccc2)[C@@H]1C#N"]
["85110745","Cc1ccsc1C(Cl)c1ccc(Cl)c2ccccc12"]
["19542140","O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1"]
["MCULE-9206051680","COc1ccc(OCc2nnc(SCc3ccccc3Cl)n2N=Cc2ccco2)cc1"]
["102616290","CCC(O)=Nc1nnc(S(=O)(=O)NCCCOC(C)C)s1"]
["168925712","O=C(O)c1cn2c(n1)CN(C1CC1)CC2"]
["93707470","NC1CCC(C(=O)c2cc3ccccc3o2)C1"]
["MCULE-8986598376","COCCN1CC(C(O)=Nc2nc(-c3ccc4nc(O)[nH]c4c3)cs2)CC1=O"]
["128520373","CC(C)CC(O)=NC(C(O)=NN=C(O)CNc1ccccc1)C(C)C"]
["21250451","CSCc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1"]
["11500579","[NH+]#CCCCCS(=O)(=O)N1CCC(CN2CCCCCC2)CC1"]
["MCULE-3818303202","N#Cc1cc(F)cc(-c2cc(N=C(O)c3ncc(F)cc3F)c3nccn3c2)c1"]
["123304520","CC(C)(CC(=N)O)N=C(O)c1cccc(N=C(O)CCn2ccnc2)c1"]
["126385338","CC(NCCC(O)=Nc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1"]
["91266461","CCC(=NNc1c(C)cc(C)cc1C)C(C)=O"]
["11086579","CCc1cccc([NH2+]C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1"]
["MCULE-6312613269","COc1ccc(CC(O)=Nc2cccc(F)c2C#N)cc1-c1cccc(CC#N)c1"]
["MCULE-4082461275","COc1c(C)cc(-c2ccc(N=C(O)C(C)N3Cc4ccccc4C3=O)nc2)cc1C"]
["176411623","CN1CCN(CCn2cc(-c3ccc(N=C(O)Cc4cccc(C(F)(F)F)c4)cc3F)cn2)CC1"]
["166077717","OC(=Nc1cnc(-c2ccccc2)nc1)C12CC3CC(CC(C3)C1)C2"]
["107762374","Cc1cc(C)cc(N=C2N=C(O)/C(=C\\c3ccc(-c4ccccc4C(=O)O)o3)S2)c1"]
["104939822","CC[C@@H](C)Cn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21"]
["170871958","CCOC(=O)C(C(=O)OCC)c1ccc(O)cc1C(=O)[N+](=O)[O-]"]
["97584786","CC1(C)CN([O])C(C)(C)CC1[N+](C)(C)C"]
["101143433","CC1=NO[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12"]
["126046508","CCN(CC)C(=O)CNc1cc(N=C(O)C(C)(C)C)ccc1C"]
["MCULE-2644706694","COc1ccc(-c2c(C)noc2C)cc1NC(=O)c1ccc(C)cc1"]
["90691686","CN(C(=O)CC(CCCN(C(=N)N=C(O)OCc1ccccc1)C(=O)OCc1ccccc1)N=C(O)OCc1ccccc1)C1CN=C(N=C(O)OCc2ccccc2)N=C1O"]
["116215546","Cc1cc(C(O)=Nc2ccc(C)c(C)c2)nc(=NCc2ccccn2)[nH]1"]
["47661607","COc1ccccc1NC(=O)c1ccc(NC(=O)C2CSC3(C)CCC(=O)N23)cc1"]
["MCULE-9653373765","Cc1ccc(CN2CCN(C(=O)c3cc(-c4cccc(C#N)c4)cc(C(F)(F)F)c3)CC2)cc1"]
["99250746","CC1=N/C(=C2/NN=C(C3CCC3)O2)C(C)=C1S(=O)(=O)NCC1CCCO1"]
["95117777","CCCN1CCCCC1C(O)=Nc1nccn1Cc1ccccc1Cl"]
["979497","CSc1cccc(N=C(O)CCCOc2ccccc2)c1"]
["53417081","CC1CCN(C(=O)c2cc(N=C(O)CN3CCC(C(=O)N4CCCC4C(O)=Nc4ccccc4C(O)=Nc4ccccc4)CC3)ccc2Cl)CC1"]
["MCULE-9407699088","N#Cc1c(N=C(O)Cc2cscn2)sc2c1CCC2"]
["136980449","Cn1cnnc1SCC(=O)N1CCN(c2cccs2)CC1"]
["183992563","[N-]=[N+]=NN(C(=O)C(F)(F)F)N(N=C(O)CCl)C(=O)C(Cl)Cl"]
["3845782","CS[C@H](C)c1cccc(N=C(O)COc2ccccc2[N+](=O)[O-])c1"]
["165547968","Cn1ccnc1C(=O)c1ccc(NC(C)(CO)C2CC2)c([N+](=O)[O-])c1"]
["95185302","CCNCCOc1nc(C)cc(OC(C)C)n1"]
["MCULE-7266437977","Cc1ccc(C(=O)N2CCC(N=C(O)C3CCCC3)C2)cc1S(=O)(=O)N(C)C"]
["50920367","Cc1oc(C)c(C(O)=NCc2cccc(C(O)=NCc3ccco3)c2)c1Br"]
["MCULE-8405462548","CN(C)C(=O)c1ccc(-c2ccc(F)cc2N=C(O)c2ccc(N3CCOCC3)nn2)cc1"]
["3987654","O=C1C=C(c2cccs2)C[C@@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])c1"]
["109604069","C[C@@H](N=C(O)[C@@H]1C[C@@H]1C)c1ccc(F)c(Cl)c1"]
["94882396","O=[N+]([O-])c1ccc(-c2n[nH]c(S(=O)(=O)Cl)n2)cc1"]
["5904541","C=CCN=C(O)c1cc(-c2ccccc2)nc2ccc(OC)cc12"]
["172337155","C[C@H]1CCC[C@H]1Oc1c(-c2ccc3ccccc3c2)cccc1[N+](=O)[O-]"]
["196655265","c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)N(c2ccc3[se]c5ccccc5c3c2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1"]
["119668210","CCCS(=O)(=O)NCCN(C(C)=O)c1cccc(C(C)=O)c1"]
["47499958","Cc1c(S(=O)c2ccc(N)cc2)cc(C(O)=NCCCN(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1"]
["6487478","Oc1nc(CSc2nnc(-c3ccccc3)o2)nc2scc(-c3ccccc3Cl)c12"]
["50521932","CC1CC(NS(=O)(=O)C2CC2)CN1C(=O)O"]
["127990868","CC(Oc1ccc2ccccc2c1)C(O)=NNC(O)=NCc1cnn(C)c1"]
["119905522","C[C@H]1CN(c2n[nH]c(C3(C)CCCO3)n2)CCN1"]
["159880282","OC(=Nc1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)C1CC1"]
["175717067","CC(COC(C)C1(Cc2ccccc2)CCCCC1)CC1=CCC1"]
["102785782","CSc1cccc(N=C(O)[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)[C@H](C(O)=NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1"]
["134067126","Cc1cc(Br)cc(NC(=O)C(=O)N(C)CC2CCCCC2O)c1"]
["158087503","Cc1cc(Cl)c(C#N)cc1S(=O)(=O)Cl"]
["20491309","COc1ccc(/C=N/NC(=O)c2ccc([O-])nn2)cc1"]
["105062787","CC[C@@H](CCl)c1cc(C)c(OC)cc1C"]
["151164654","C[C@@H]1/C(=C\\c2ccc([S@](C)=O)cc2)c2ccc(F)cc2[C@H]1CC(=O)O"]
["82412208","CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)O)c4c3OC(C(C)(C)N)C4)nc2N1C1CCCC1"]
["16019550","CCCCCC(=O)N1[C@@H](C(=O)OCC)CS[C@H]1c1cccc(Cl)c1"]
["169849637","CCOC(=O)CC(=O)N(CCBr)C(C)C(=O)OC"]
["50488500","O=C(CCC(O)=N[C@@H]1CCN(C2C3CCC2CC(O)(c2cccnc2)C3)C1)c1cccc(C(F)(F)F)c1"]
["137769366","CCn1c(SCCCSC)nnc1C1CC1"]
["139796621","COCCn1ccc(=NCc2ccccc2OCc2cccnc2)[nH]1"]
["170383877","CN1CC[C@@H](c2cc(-c3cccc(-c4ccnc(Nc5cnn(CCN)c5)n4)n3)no2)C1=O"]
["93529683","CC(C)CCOCCNCC(C)C1CC1"]
["128909227","CCC1c2ccsc2CCN1C(=O)CCC(=O)OC"]
["19949373","[NH2+]=C(O)[C@@H]1CCCN1CC(O)=Nc1c(Cl)cccc1C(F)(F)F"]
["4686733","C[C@@H](c1nnc(SCC(O)=[NH+]c2cccc(C(F)(F)F)c2)n1-c1ccc(Cl)cc1)N(C)C"]
["55941972","CC(O)=Nc1cc(N=C(O)C2CCN(CC(O)=Nc3cc(C(O)=NC4CCCC4)ccc3Cl)CC2)ccc1C"]
["50142748","OC(=NCC(C1CC1)C1CC1)c1ccc2nc[nH]c2c1"]
["101682264","CC(=O)C1=C(O)C(=O)N(CCOCCO)C1c1cccc(O)c1"]
["185573437","C[C@@H](O)CNC(C)(C)CC(O)=N[C@@H]1CCc2cc(C(F)(F)F)ccc2N(Cc2ccccc2-c2ccccc2-c2cnc[nH]2)C1=O"]
["190417644","CN(c1nc(Cl)cc(O[C@H]2CCOC2)n1)C1C[C@H]2CCC[C@@H](C1)C2"]
["123856647","CC1CCCN(Cc2ccc(NC(=O)[C@@H](C)N)cc2)C1"]
["48089754","N=c1cc(N)nc(Sc2ncc(N)cn2)[nH]1"]
["27660446","CCCC[C@H](CC(=O)OC)c1ccc(OCc2ccc(C(C)(C)C)c(-c3cc(OC)ccc3F)c2)cc1"]
["96334087","CCOC(CC)(CC)C(Cc1nc(C)cs1)NC"]
["164978561","C=CCn1c(CNc2ccc(I)cc2)nnc1SC(C)C(O)=N/N=C\\c1c(C)nn(C(C)C)c1C"]
["75321952","O=C(N(Cl)c1ccc(Cl)c(Cl)c1Cl)C(F)(C(F)(F)F)C(F)(F)F"]
["8968426","O=C(OCC(=O)c1cccc2ccccc12)c1cc2ccccc2cc1O"]
["25325350","O=C1CCC(CO)N1C(c1ccccc1)c1ccccc1"]
["118050560","CN=C(NCCc1ccc(-n2cccn2)cc1)N(C)Cc1ccc(OC)cc1OC.I"]
["7307444","CCOC(=O)C1CCN(C(=O)[C@@H](C)Nc2ccc3c(c2)OC(F)(F)O3)CC1"]
["117002599","Cc1ccc(N=C(O)CN2CC[C@H]3N=C(O)[C@@H](Cc4ccccc4)N=C(O)C4(C/C=C/C[C@H]3C2)CCOCC4)cc1F"]
["19788366","COc1cccc(Cc2nsc(N3CCN(CCN=C(O)C4CC4)CC3)n2)c1"]
["186906291","CCOC1CC2CN(Cc3ccccc3)CC21"]
["85342177","COCC1CCN(C2CCCC(C)(C)C2N)C1"]
["153571356","c1csc(CNc2ncnc3c2nc(-c2cccs2)n3CCN2CCCCC2)c1"]
["MCULE-6116629439","CC(=O)Oc1ccc(CC(N=C(O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)C(O)=NCC(O)CN(C)S(=O)(=O)c2cccs2)cc1"]
["175201697","O=C/C=C(/CCc1ccc2ccccc2c1)c1ccccc1"]
["MCULE-5655062429","COc1c(C)cc(-c2cncc(CN=C(O)c3sccc3C)c2)cc1C"]
["149938933","CC1(C(=O)N2CCn3c(c(O)n([C@H]4C[C@@H]4c4ccccc4)c3=O)C2)CC1"]
["MCULE-7004986250","COc1cc(F)c(-c2ccc(NC(=O)c3sc(C)nc3C)cc2C#N)c(F)c1"]
["MCULE-9981556126","CCOc1ccc(F)cc1-c1cccc(C(O)=Nc2ncco2)c1C"]
["125943807","Cc1cc(C)nc(N=C(O)C2CC2C)c1"]
["93904563","CCNC(c1cc2cc(F)ccc2o1)C1CCOC1C"]
["168297849","Cc1cccc(C)c1N=C(O)CSc1nnc(-c2c[nH]c3ccccc23)n1CC1CCCO1"]
["26139581","CCN1CC(CO)(CO)C1"]
["113949631","N#Cc1cc[nH]c(=NN)c1Cl"]
["134647151","COc1cccc2c1CCN(C(=O)CNC(O)=NCc1ccco1)C2"]
["213254","O=c1c2cc(F)ccc2nc(COc2ccccc2F)n1-c1ccccc1Cl"]
["191405148","CCc1cc2[nH]c(=N)sc2cc1CO.N=c1[nH]c2cc(CO)c(CO)cc2s1"]
["9271356","CCOC(=O)[C@H]1N(S(=O)(=O)c2ccc(C)cc2)CC[C@]1(C)O"]
["177706005","COc1ccc(-c2nn(C(C)c3nc4ccccc4c(=O)n3C3CCC3)c3ncnc(N)c23)cc1OC"]
["MCULE-6710817696","CCOc1ccc(C=CC(O)=Nc2cc(Cl)ccc2Cl)cc1OCC"]
["57527986","CC1C(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OC(c2cccc(N=C(O)c3cnc4ccccc4n3)c2)OC1c1ccc(CO)cc1"]
["182930470","Cn1nnc(-c2cc[nH+]c(Cl)c2)n1"]
["190960942","C[N+]1(Cc2ccc3c(c2C(=O)O)OB(O)[C@@H](CC(O)=C(N=O)c2csc(=N)[nH]2)C3)CCCC1"]
["66179716","CCOc1ccc(SCC(=O)N2C[C@@H](C(O)=NC)Oc3ccccc32)cc1"]
["65378991","CCCc1nccn1C(C)(CC)C(=O)O"]
["141765322","CC1CC1N=C(O)CCCN=C1NS(=O)(=O)c2ccccc21"]
["29007239","CC1CN(C(=O)COc2cc(C(=O)O)c3ccccc3n2)C(C)CN1Cc1ccc(F)cc1"]
["MCULE-5022712094","COc1cccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(Cc3cc(C)ccc3C)C2=O)c1"]
["27434446","Cc1nc(N[C@H](C)c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)ncc1C(F)(F)F"]
["105617685","Cc1nc(CN2CCN(C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)CC2)cs1"]
["11515491","COCCn1c(SCC(O)=Nc2ccccc2Cl)nnc1-c1ccccc1C"]
["133853950","CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3(C)C)CC2)cc1"]
["8572723","OC[C@H]1CCCN(C(S)=NCc2ccc3c(c2)OCO3)C1"]
["77872951","CCCCOc1cccc(C2C(=C([O-])c3ccc4c(c3)CC(C)O4)C(=O)C(=O)N2CCc2ccccc2)c1"]
["185679837","CCCCC(C)(C)OCCCCCC(C)C"]
["174286238","c1ccc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccccc2-c2ccc3oc4cc5ccccc5cc4c3c2)cc1"]
["MCULE-4101484527","Cc1nc2ccc(C(O)=NC(CC(C)C)C(=O)OC(C)(C)C)cc2o1"]
["147456083","Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC(c2nnc(-c3ccc4c(c3)OCO4)o2)C1"]
["MCULE-4306272850","COc1ncc(-c2ccc(F)nc2)cc1C(=O)NCCCCc1ccccc1"]
["84177254","C[Si](CCCC(F)(F)C(F)=C(F)F)(c1ccccc1)c1ccccc1"]
["MCULE-8461244845","CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O"]
["180017929","CN=CC1=CN=CCC1"]
["103665668","C=CCNS(=O)(=O)c1cc(C(=O)OCC(O)=N[C@H]2CCCC[C@@H]2C)ccc1F"]
["87994740","O=C1CCN(CCC(=O)c2ccc(F)cc2F)CC1"]
["101461534","O=[N+]([O-])CCCCCSSCCCCC[N+](=O)[O-]"]
["105399147","Cc1cc(=O)oc2ccc(OCC(O)=NCCCCN3CCC[C@@H](C)C3)cc12"]
["147568435","O=C(N1C2CCC1CC(Oc1ccncc1)C2)C12CC3CC(CC(C3)C1)C2"]
["14869842","OC(=Nc1ccc(F)c(F)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1"]
["MCULE-3146244079","CCOC(=O)C(C)N=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O"]
["121425939","CC(C)N(C)CC(O)=NCc1cccnc1N1CCOCC1"]
["139900677","CCCOc1ccc(C=CC(O)=NCC2(C)OCCO2)cc1"]
["199716077","O=C1CC(Cl)CN1c1c(Br)cc(Cl)cc1Br"]
["10619196","COc1ccccc1CCNC(=O)C(=O)Nc1cc(F)cc(F)c1"]
["199377912","CC(C)c1cc(C(C)C)c(B2c3ccc(Br)cc3-c3cc(Br)ccc32)c(C(C)C)c1"]
["MCULE-8463398791","CCN(CC)Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)cn1Cc1ccccn1"]
["186288898","CC1C(C2=NCC(c3ccccc3)C=C2)=CC(c2ccccn2)=CC1C1=CC(c2ccccc2)=NC(C)(c2ccccc2)C1"]
["110302104","CC(C)=C[C@@H]1[C@@H](C(O)=Nc2ccc(N(C)C)cc2C(F)(F)F)C1(C)C"]
["34245646","CN(C)c1ccc2c(-c3cc(C(O)=NC/C=C/C=C/C(O)=NCc4c5oc6cc(O)ccc6c(-c6ccc(C(=O)O)cc6C(=O)O)c-5ccc4=O)ccc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1"]
["23210722","CC(Oc1ccccc1F)c1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)o1"]
["11406359","CCCOc1ccc(CN=C(O)NN=C(O)c2cccc(C)c2)cc1"]
["24394834","Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(C(O)=Nc3c1ccc(Cl)c3C)N1CCC[C@@H]21"]
["60905107","Cc1nc(N=C(O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)sc1C"]
["85232110","CCNC(Cc1nc(-c2ccc(F)cn2)no1)C1CC1"]
["87224270","CN1CCCC(C#N)(NCc2cccs2)C1"]
["133381914","COC(=O)C1CCCCN1C(=O)c1cccc(C(=O)N(C)C)c1"]
["46254233","OCc1ccccc1N1CCc2ccccc21"]
["1946362","CN1CC[C@H](CN(C)C(=O)c2c[nH+]cc(Br)c2)C1"]
["6772398","COc1ccc(C(O)=NN=C2CCC(C(C)(C)C)CC2)cc1OC"]
["65774933","COCCN(Cc1ccccc1)C(=O)CN1CCC(c2[nH+]c3ccccc3s2)CC1"]
["190025319","CC.CC.Cc1cc2cc(C(=O)N(Cc3ccc(C(F)F)cn3)Cc3ncn(C)n3)ccc2[nH]c1=N"]
["112577009","Clc1nc[nH]c(=NCCCOCC2CC2)c1Br"]
["45976762","CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](Nc2ccc(N=C(O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)C1"]
["173729142","CCCCCCOc1ccc(C(=NS(C)=O)C(F)(F)F)c(F)c1"]
["157719122","C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2cccc(Br)c2)CCS1(=O)=O"]
["187511379","CC/C=C1/C(c2cnn(C(CC)CC)c2)=NC(/C(C=NCCCO)=C/N)=CN1C"]
["171139676","CC1(C)CC(O)CCN(C(=O)C=Cc2nc3ccccc3s2)C1"]
["22766422","CC(Cc1c[nH]c2ccccc12)NC(=N)NC(=N)N.Cl"]
["19572447","CC(C)N(CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1[nH+]c(Cc2ccc(F)cc2)ns1"]
["CSSS01065527280","CC1(C)CN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1c1ccccc1"]
["84224232","COc1cc(Nc2ccc(N)cn2)c(C(=O)O)cc1OC"]
["163379728","FC(F)Oc1ccc2c(CBr)csc2c1I"]
["MCULE-8675774322","OC(CN=c1nc(O)c2cc(-c3ccccc3)ccc2[nH]1)=NCC1CCCO1"]
["100292149","CCCc1cccc2c(S(=O)(=O)O)c3cc4cc5cc6c(S(=O)(=O)O)cc7c8c(cc9c%10ccc%11c%12c%10c(c5c5c4c(c3cc12)=CC(=C(OS(=O)O)C=%11)C5%12)c6c97)c1ccc2cc(S(=O)(=O)O)c3ccc4cc(-c5ccc6c7cccc9c(CCC)cc%10c(S(=O)(=O)O)cc%11ccc5c6c%11c%10c97)c5ccc8c6c5c4c3c2c16"]
["170357475","N#Cc1ccc(-c2cc(OCCCCCCC(O)=NO)cc(N3CCC(N)CC3)n2)cc1F"]
["MCULE-7672228442","COc1ccc(CN2C(=O)c3ccc(C(O)=NCC(=O)c4ccc(OC)c(C(C)C)c4)cc3C2=O)cc1"]
["129122985","CC(C)OCc1ccc(NC(=O)N2CC3CCCCC3C2)cc1"]
["161895411","CCOC(=O)C(Cc1ccc(C)cc1)=NNc1ccccc1"]
["191558751","CC(O)=NC[C@H]1CN(c2ccc(B(O)O)c(F)c2)C(=O)O1.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(B(O)O)c(F)c1"]
["112830277","Cc1nc(NN)[nH]c(=NCC2CCCC(C)C2)c1[N+](=O)[O-]"]
["133858481","CC#CCNC1(c2noc(CC)n2)CCCC1"]
["183101663","CCCCCNCc1c(C)cc(N=C(O)OC(C)(C)C)nc1C"]
["33983001","CC(C)(C)[Si](C)(C)OCC[C@@H](O)C/C=C\\[C@@H](O)CCc1ccccc1"]
["185911706","CC(=O)O[C@H]1C[C@@H]2CC[C@H]3C4C[C@H](N5CCCCC5)C(=O)[C@@]4(C)CCC3[C@@]2(C)C[C@@H]1N1CCCCC1"]
["100115540","O=S(=O)(Cc1ccccc1)N1CCSC(c2cc(F)ccc2F)CC1"]
["170432952","CC[C@@H](O)c1nc([C@H]2C[C@@H](N=C(O)c3cc(-c4ccccc4)on3)C2)no1"]
["157765837","CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1"]
["194175567","Cc1ncc(-c2cccnc2)cc1C(=O)c1cccc(N2CCCNCC2)n1.[HH].[HH]"]
["156903148","C[C@@H]1C[C@@H](C)CN(C(C)(C)CN=C(O)N2CCC[C@H](n3cncn3)C2)C1"]
["181250775","O=C(Br)OCC(Br)(Br)Br"]
["154005689","COc1cc2nc(N3CCN(C(=O)c4cc(-c5ccccc5)nc5ccccc45)CC3)[nH]c(=NCCCN3CCOCC3)c2cc1OC"]
["69086205","CCOc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC"]
["180300872","CC1=CC(N(c2ccccc2)c2ccc(C)cc2)=C=C=C1"]
["95562697","CCc1ccc(CC(NN)C2CCC(C)(C)CC2)nc1"]
["68478553","CCOC(=O)CCc1cc(F)cc(F)c1OC"]
["145958751","C=C(Br)CN=C(O)[C@H]1CSCN1"]
["171452757","Fc1cc(F)c(-n2c(P(c3ccccc3)c3ccccc3)nc3ccccc32)c(F)c1F"]
["23969750","OC(=NCc1cccn1Cc1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2"]
["134926654","Cc1ccc(CN(C(=O)c2ccc(C=O)[nH]2)C2CC2)cc1C"]
["MCULE-2598535571","CCCCCC(O)=NC1Cc2ccc(-c3cnn(C4CCCCO4)c3)cc2C1"]
["160288171","C#CC[N+](C)(C)C[C@@H](C)C(=O)[O-].Cl"]
["174289978","CCOC1=NC(=O)SC1(C)C"]
["160383859","COC(C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C1CC1"]
["MCULE-4841207249","Cn1cccc1-c1cnc(N=C(O)C2CSCN2C(=O)OC(C)(C)C)c(C#N)n1"]
["19526142","COC(=O)c1cnc(N2CCC(C)CC2)nc1CN1CCN(Cc2ccccc2C)CC1"]
["180684522","C=C(c1ccc(C(=O)N2CC(CCl)c3c2cc(OC(C)=O)c2ccccc32)s1)N1CC(CCl)c2c1cc(OC(O)NCCOCCOCCN1C(=O)C=CC1=O)c1ccccc21"]
["144555398","OC(CC1(O)CCCCC1)=NC1Cc2ccccc2C1"]
["19748429","OC(CCN=C(O)c1ccc(F)cc1F)=Nc1n[nH]c(-c2ccccn2)n1"]
["168250171","CCOc1ccc(C2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2cccnc2)cc1"]
["136573581","Cc1cc(C(O)=NNC(=O)c2ccncc2)c(C)n1Cc1ccccn1"]
["148081692","CC1CC(C)CN(Cc2ccc(CNCc3ccco3)cc2)C1"]
["MCULE-8452311845","COc1ccc(-c2ccc(C(C)=O)c(F)c2)cc1C(O)=NOC1CCCCO1"]
["12964175","C[C@@H](Br)c1nc2cc(F)ccc2n1CC(=O)[O-]"]
["69353343","N#CC(=Cc1ccc(-c2ccccc2F)o1)S(=O)(=O)c1ccc(Br)cc1"]
["160175659","Cn1cncc1C1CC(NC(O)=NCc2ccccc2N2CCOCC2)CCO1"]
["47104811","CCC(CNC1CC1)OC1CCCC(C)C1"]
["14153686","COCCn1cc(C(O)=Nc2cc(Br)ccc2Cl)ccc1=O"]
["MCULE-5613510262","COc1cccc(CCC(O)=Nc2cnc(OC)c(-c3cccc(F)c3)c2)c1"]
["13458218","CC[C@@H](C(=O)N1CCC(N=C(O)[C@H](C)Sc2cc(Cl)ccc2Cl)CC1)c1ccccc1"]
["122163830","O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CC2CCCCC2C1"]
["176290986","Cc1ccc(C(O)=NCCCC[C@H](N=C(O)NC(CCC(=O)O)C(=O)O)C(=O)O)c(F)c1"]
["MCULE-7564040031","COc1ncc(C(=O)N2CCCCC2CCNC(=O)c2ccc(-c3nc[nH]n3)cc2)cn1"]
["MCULE-3590342428","COc1ccc(OC)c(CC(O)=Nc2ccc3nccnc3c2-c2cnc(C#N)nc2)c1"]
["MCULE-6347613151","COc1ccc(-c2ccc(F)c(C(O)=NC34CC5CC(CC(C5)C3)C4)c2)c(F)c1F"]
["144402080","Cc1ccc2c(CN(C)CC(C)O)cc(=O)oc2c1C"]
["23755368","CCOC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1"]
["162059618","O=C(O)c1[nH]ccc(=O)c1F"]
["163270330","FC(F)(F)c1cc2sc(CCl)cc2cc1Cl"]
["154913749","CCCCCCCCC(=O)CC[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1"]
["MCULE-6232357771","COC(=O)c1c(C(F)F)nn2c(=O)cc(-c3cc(C4CCCCC4)ccn3)[nH]c12"]
["MCULE-3592073095","Cc1cc(C(=O)N2CCC(N3CCCCC3)CC2)c(F)cc1-c1ccccc1[N+](=O)[O-]"]
["144783865","O=C(O)c1c[nH]nc1C(=O)N1Cc2ccccc2C1"]
["135794465","CCn1nc(C)c(NC(O)=Nc2ccccc2CC(F)(F)F)c1C"]
["178437233","COc1cc(N)cc2oc(=O)oc12"]
["77638698","CC(C)[NH2+]CC(O)COCC12CC3CC(CC(C3)C1)C2"]
["99729423","[B+]=C([O-])C(CC)c1ccccc1"]
["66582049","CCCNC(C)C(C)(C)CN1CCSCC1S(C)(=O)=O"]
["47291599","COC(=O)C(CN)N(C)Cc1ccccc1OC"]
["61311351","CCCn1c(SCC(=O)N(CCC#N)Cc2ccco2)nnc1-c1cccc(C)c1"]
["111714362","COc1cccc(CN(C)S(=O)(=O)NCC2(N)CCC2)c1"]
["142864969","Cc1cc(C)n(-c2ccc(COC(=O)CCc3nc(-c4ccco4)no3)cc2)n1"]
["48656252","CCNC(CSc1ccccc1Br)c1ccoc1"]
["175971007","CC(C)(C)OC(O)=NC/C(N)=C/N(N)c1cccc(N=C(O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)c1"]
["108066591","COCC(=O)N1CCC(C(=O)N2CC[C@@H]2c2ccccc2)CC1"]
["130044021","Cc1cnc(CN2C(=O)C(C)(c3ccc(Br)cc3)N=C2O)o1"]
["56033632","CCOCC(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)CC"]
["79076710","C#Cc1cc(C#C)cc(C23CC4CC(CC(c5ccc(C67CC8CC(C6)CC(c6cc(C#C)cc(C#C)c6)(C8)C7)cc5)(C4)C2)C3)c1"]
["25170320","COc1ccc(CNc2nc(-n3cncn3)nc3sc(C)cc23)cc1Cl"]
["MCULE-8064815973","Cc1cc(C(=O)Nc2ncco2)ccc1-c1ccc(F)nc1F"]
["MCULE-3142101612","CC(C)c1ccc(-c2ccc(SCC(O)=Nc3cccnc3)cc2)cc1"]
["110248266","CC[C@H](CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCCC1=O"]
["SN0314932-02","COc1cc(C(=O)O[C@H]2[C@H](C(C)C)[C@H](O)CC(C)=CCC[C@@]3(C)O[C@H]23)cc(OC)c1OC"]
["78859273","CC1(C)CCCN1C(=O)c1ccc(OCC2CC2)c(Cl)n1"]
["6412736","COc1ccc(NC(S)=Nc2ccc3c(c2)N=[NH+]C3)cc1"]
["MCULE-5927881684","Cc1cc(C(=O)Nc2ncc(-c3cccnc3F)c(C(F)(F)F)n2)nn1C"]
["119582251","Cc1cc(C)c(OCCNC(O)=NCCc2ccccc2F)c(C)c1"]
["197842542","CC1(c2cccc(CN=C(O)c3cc(-c4ccccc4)nc4cc(F)ccc34)c2)N=C(O)N=C1O"]
["164148040","N=C(N=C(O)C1CCCc2[nH]ccc21)C1=C(N)CCCC1"]
["75141081","CC1(C)C(N(O)C(=O)Nc2ccc(C(F)(F)F)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(O)=N/N=C/C=C/c1ccc([N+](=O)[O-])o1"]
["50713721","CCC(C)c1ccc(S(=O)(=O)N2CCN=C(O)C2C(C)C)cc1"]
["126598245","COC(O)=NCCCC(=O)Oc1ccc(Cl)cc1Br"]
["111114046","Clc1cc(Cl)c(Sc2ccncc2)nc1Cl"]
["134197698","C=C(C)COCCN=C(O)N(CC)Cc1cccc(Cl)c1"]
["79511695","CCOC(=O)/C=C/c1ccc(OCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCOc2ccc(/C=C/C(=O)OCC)cc2)OC(=O)CCCCCCCCCOc2ccc(/C=C/C(=O)OCC)cc2)cc1"]
["145491067","[2H]C([2H])(c1ccccc1OC1CCCN(CCC(=O)O)C1)N(c1ccc(-c2ccco2)cc1)C(C)C"]
["MCULE-3778698855","CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(O)=NC1CCCCC1)C2c1c(F)cccc1Cl"]
["112872658","O=S(=O)(CCCCO)Nc1ccc2ncccc2c1"]
["117470548","OC(=NCCC1CN(c2ccccc2)CCO1)Oc1ccccc1"]
["51414111","CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1cc(Cl)cc(Cl)c1"]
["144825765","O=c1c2c(O)cccc2nc(O)n1C1CCSCC1"]
["89437730","CCCOc1ccc(CCCC(C)N)cc1C(C)C"]
["53738774","O=C(Cn1nc2n(c1=O)CCCCC2)c1ccco1"]
["181589429","COc1ccccc1C=C1CCc2c1nc1ccccn1c2=O"]
["29552588","CN1CC(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(O)=Nc3ncccc32)C(=O)C1c1ccccc1"]
["98045313","[AsH2]C1SC=C(Cc2ccccc2)N1c1ncc(Br)cc1Oc1ccccc1"]
["9644680","OC(/C=C/c1ccc2c(c1)OCCO2)=Nc1ccc(F)c(Cl)c1"]
["68469752","CC(C)(C)OC(O)=N[C@@H](Cc1ccccc1)C(=O)OC12CC3CC(CC(C3)C1)C2"]
["183416143","N#[N+]N=NC(C(O)=N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@@H]1Cn1ncc(CNC(=N)N[C@H]2CCNC2)n1)c1csc(=N)[nH]1"]
["141360317","Cc1nn(C)c(C)c1CCCN=C(O)NCc1ccc(C(F)(F)F)cc1"]
["48580766","CC1CCc2n[nH]cc2C1"]
["25267980","c1ccc2c3c([nH]c2c1)CCC(NCCN1CCCCC1)C3"]
["131311111","CC(C#N)Oc1ccccc1NC(C)C(O)=Nc1cc(F)ccc1F"]
["130771615","Cc1c(C(C)N=C(O)C2CC2c2cccc(F)c2F)cnn1C"]
["136036586","COc1ccc(OC(F)F)c(N=C(O)CC(C)Cc2ccccc2OC)c1"]
["193201012","Cc1nc2cccc(OCCCOC3CCN(CC4CCC(n5cc(N=C(O)c6cnn7ccc(N8CCOCC8)nc67)c(C(F)F)n5)CC4)CC3)c2c(=O)n1C1CCC(=O)CC1=O"]
["5310621","CCOc1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1"]
["24244869","CCCCC1=C(O)c2cccc3ccc(O)c(c23)C1=O"]
["186956582","CCOc1ncccc1S(=O)(=O)N=C(O)CN(C)S(=O)(=O)CC"]
["143892834","COc1ccc(-c2n[nH]c(CNC(O)=NCCCc3c(C)nn(C)c3C)n2)cc1"]
["199322033","CCC(CCNCCCCN(CCC(CC)N=C(O)OC(C)(C)C)C(=O)Oc1ccc2c(ccc3c4c(ccc32)C=CC4)c1)N=C(O)OC(C)(C)C"]
["MCULE-1170630451","CCOc1ccc(F)cc1-c1cncc(N=C(O)CCc2cccc(OC)c2)c1"]
["63593713","[C-]#[N+][C@H](COP(=O)(OC[C@@H]([N+]#[C-])C(C)(C)C)c1ccccc1)C(C)(C)C"]
["7955281","COc1ccc(C2=Nc3ccccc3N=C(SCC(O)=Nc3cccc(Br)c3)C2)cc1"]
["173126639","C=C[C](C=CC=CC)Sc1ccccc1.CC"]
["130655857","CC(C(=O)Nc1ccc(CCN2CCOCC2)cc1)c1cccs1"]
["131758859","COC(=O)c1coc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1"]
["55343348","CCCNC(CN(C)C(C)CCC)(C(=O)OC)C1CC1"]
["30597536","CN(C)c1c(Cl)ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)c1Cl"]
["95113155","CCCc1nc(NN)c(C)c(Oc2cnn(CCC)c2)n1"]
["148889851","Cc1cccc(CCC(O)=NCCNc2cc(N3CCCC3)nc(C)n2)c1"]
["94105974","COCC(C)Nc1ccccc1C(C)Cl"]
["MCULE-9533567598","N#Cc1cc(F)ccc1-c1cccc2c1CCN(C(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1)C2"]
["178503445","C[C@@H]1CC(=O)C(N(C(=O)[C@@H]2CCC(=O)N2C2=CC(=C=[N-])C=C[N-]2)C2=CC=CC(=N)C2=CN)c2ccccc2[Cl+]C1C1CC(F)(F)C1"]
["119203509","COc1ccc(NCC2CCCN2)cc1OC"]
["MCULE-6718176950","COc1ccc(OC)c(-c2cncc(CN=C(O)c3cccc(OC)c3OC)c2)c1"]
["68416263","CCOC(=O)CCCC(=O)N1CCCN1C(=O)OCc1ccccc1"]
["MCULE-6740128921","O=C(O)c1ccc(CN(CCC2=CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1"]
["171105179","CNc1conc1C1Cc2ccc(C)c(C)c2C1"]
["62462551","COc1ccc(N(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)S(C)(=O)=O)c(OC)n1"]
["48952834","C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(=O)OC)cc1"]
["11213682","CCCCC/C=C\\C(=O)N(CCC)[C@H](C(O)=NCS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1"]
["59234791","CCn1c(=O)c2ccccc2n2c(CN(C)CC(O)=Nc3ccc(Br)cn3)nnc12"]
["185667847","CC(=O)N1CC2CCC(C1)N2c1ncccn1"]
["83393595","Cc1cccc(N=C(O)COC(=O)CC2Sc3ccccc3N=C2O)c1"]
["690481","COc1ccc(N=C(O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl"]
["MCULE-9809721005","N#Cc1ccc(F)c(-c2cc(C(O)=Nc3cccc4cnccc34)c(F)cc2F)c1"]
["153204439","CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@H]1C(C)(C)CCC[C@@]21C=O"]
["MCULE-5599649397","CCc1nn(-c2ccc(I)cc2)c(Br)c1CN"]
["95968140","CCSCCSc1nnc(CN)n1CC"]
["48773410","CCCN1C[C@@H](N)CCC1=O"]
["CSSS20766207688","FC(F)(F)c1nccc(CNCc2nncn2-c2ccccc2)n1"]
["MCULE-5293351869","Cc1cncc(N=C(O)Cc2ccc(-c3cnccc3C)cc2)c1"]
["21051535","Cc1cc([NH2+]C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1N(C)C"]
["174621267","CC1CCCC[Si]1(C)C.COC(=O)c1ccccc1O"]
["48505137","CN=C(O)ON(Cc1ccc(OCc2ccccc2)cc1)C(C)=O"]
["162572416","CN(C#N)C(=O)CC1CCCC1"]
["121771851","CC(C)(C)c1cc(N=C(O)COc2ccc([N+](=O)[O-])cc2Br)on1"]
["81574127","CC12C=CC(=O)C=C1C(F)CC1C3CC4CN(Cc5ccoc5)OC4(C(=O)SCC#N)C3(C)CC(O)C12F"]
["172648093","CC(C)CC1(CC(C)C)CCC(CC(C)C)(CC(C)C)N1"]
["149998336","OC(=Nc1ccnc(O)n1)OCC(Cl)(Cl)Cl"]
["152045506","Cc1ccc(N=C2S/C(=C\\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C(=O)N2c2ccc(C)cc2)cc1"]
["56872719","O=C(O)CN1C(=O)/C(=c2/s/c(=C(/C=C3\\Sc4ccc(CO)cc4N3CC(=O)O)C3CC3)c(=O)n2CC(=O)O)SC1=S"]
["134055676","CC(O)=Nc1ccc(Cl)cc1N=C(O)CN(C)c1ncnc2[nH]cnc12"]
["136961503","CN1C2CCC1CN(C(=O)c1ncccc1OCc1ccncc1)CC2"]
["45627975","CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CO)COC(=O)CCC(=O)O"]
["98925323","O=[N+]([O-])c1ccc2c(c1)C(C(=Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(O)=N2"]
["172880612","CCCCCN(c1nc2oc(-c3ccc(C)c(C)c3)c(C(O)=NC)c2cc1C1CC1)S(C)(=O)=O"]
["176109440","N#CC(c1c(F)c(F)c(F)c(F)c1F)C1C(C(C#N)c2c(F)c(F)c(F)c(F)c2F)C1C(C#N)c1c(F)c(F)c(F)c(F)c1F"]
["171982348","Nc1cnc(CC23CC4CC(CC(C4)C2)C3)s1"]
["21429111","CCOc1ccc(Cc2c([O-])nc(NS(=O)(=O)c3ccc(C)cc3)nc2[O-])cc1"]
["98744805","c1ccc(COc2cccc(N(c3ncnn4cncc34)C3CCCCC3)c2)cc1"]
["16604579","CN1CCCc2cc([C@@H](C[NH+]=C(O)c3cc([N+](=O)[O-])ccc3Cl)N3CCCCC3)ccc21"]
["80480854","CCCN1C(=O)SC(=Cc2ccn(-c3ccc(OC)cc3)c2)C1=O"]
["133344033","COCCn1c(C)c(C)c2cc(C(=O)OC(C)c3nnc(C)o3)ccc21"]
["16562425","O=C1CCN1[C@@H](C(O)=NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl"]
["MCULE-3683055287","CCc1ccc(NC(=O)CN(C(CC)C(O)=Nc2cc(C(C)C)cc(C(C)C)c2)S(=O)(=O)CC)cc1"]
["79421541","CC(O)COC(C)COC(C)COC(C)COC(C)COC(C)CO.OCCOCCOCCOCCOCCOCCO"]
["102391644","CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(O)=NCC(C)C)cc1"]
["173644209","N=C(NNN)c1ccccc1N"]
["74172530","CCCOc1ccc(S(=O)(=O)Cl)cc1-c1nc2c(CCC)c(Br)n(C)c2c(=O)[nH]1"]
["186535406","CN1CCN=C(O)COc2ccc(C3CC3)cc2C(O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc1n3n2"]
["131553095","Cc1nnc2ccc(N3CCN(C(C)c4ccc(C#N)cc4)CC3)nn12"]
["174477531","C1#CCC(c2ccccc2)(C2CCCCC2)CC1"]
["70704009","CCN1CCc2nc[nH]c2C12CCN(Cc1c[nH]nc1C1CCCCC1)CC2"]
["122689340","CCCC(=O)Nc1ccc(CN=C(O)Cc2ccccc2O)cc1"]
["166725712","COC(=O)Cc1cc([N+](=O)[O-])c(O)c(OC(F)(F)F)n1"]
["MCULE-8384612283","CN(C(=O)c1cccc(-c2cncc(F)c2)c1F)c1ccccc1"]
["119923490","O=C(O)[C@H]1CC[C@@H](C(O)=NC2CC3CCC2C3)O1"]
["MCULE-5682479189","COc1ccc(C)c(C(O)=Nc2cc(-c3ccc(C)o3)cnc2OC)c1"]
["28406187","O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21"]
["53018312","CCC(C)N(C)C(=O)C1=Cc2ccccc2/C(=C2\\C=CC=CC2=O)N1"]
["104916630","COc1ccc2c(c1)[C@H](CC(=O)O)CN2"]
["102219695","CC[C@@H](C(O)=NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1"]
["MCULE-7497005856","O=C(O)C1CCCN1S(=O)(=O)c1ccc(C(O)=Nc2ccc(N3CCCCC3)cc2)cc1"]
["89707595","Cc1ccc(Cl)cc1N1CCCNC(CO)C1=O"]
["189212562","CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(O)c(N3CC(O)=NS3(=O)=O)c(F)c2)cc1"]
["53798761","NC1CCCCC1Nc1nccc(C(F)(F)F)n1"]
["77635047","CCCN1C(=O)C2NNC(c3ccc(F)cc3)C2C1c1ccc(OC)c(OC)c1"]
["54044667","CC(O)C(N=C(O)C(CCC(=O)O)N=C(O)C(N)CCC(=O)O)C(O)=NCC(=O)O"]
["126232479","CC(Sc1nnc(C(F)F)n1C)C(O)=NC1CCCCC1"]
["169994952","C=C/C(=C\\C(F)=C\\Cl)OCC(O)=NCCC(=C)N=C(O)c1ccc(C#N)c(F)c1"]
["66783764","CN(CC(O)=NC1CC1)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1"]
["157527876","O=C([C@@H]1CC(F)(F)CN1)N1CC2(CC2)c2ccccc21"]
["152983662","Cc1ccc(S(=O)(=O)N/N=C\\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1"]
["183282464","CC1OC(N=[N+]=[N-])CC1=O"]
["99960724","CC(O)c1ccc(OCCN)c(-c2ccc(F)cc2)n1"]
["MCULE-5801585104","CC#Cc1cc(CC)c(CC(=O)O)c(OC)c1"]
["176870223","C1=CC2=CC(n3c4c(c5ncccc53)NC3C(N4)c4ccccc4N3C3C=c4ccccc4=N3)NC2C=C1"]
["9043581","O=C1CSCN1CC(O)=Nc1cccc(COCC(F)(F)C(F)F)c1"]
["130725108","CCS(=O)(=O)NCCN1CCN(Cc2ccccc2Cl)CC1"]
["MCULE-7886653983","CC(Oc1ccccc1-c1cnc(N=C(O)c2cccnc2)nc1)C(=O)O"]
["8912762","CSc1ccc(CCN=C(O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1"]
["67388856","O=C1C2=CC=CC(Cl)C2C(=O)c2ccccc21"]
["190210675","CC1=C=C(C(C)C)[C-](c2ccccc2)C(c2ccccc2)C1(C)C.[Y]"]
["102435444","C[C@H](C(O)=NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1"]
["54325670","CN1CC[CH-]C1C(=N)O.[Rb+]"]
["162218944","COc1ncc(O)c(C(F)F)c1CBr"]
["102990770","BO/N=C\\c1ccccc1"]
["123842486","COC1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1"]
["MCULE-4588104742","CCc1cccc(CC)c1Nc1ccc(NS(=O)(=O)c2ccc3nc(O)oc3c2)cn1"]
["69738186","C[C@H]1C[C@@]2(CC[C@@H]1O)Cc1ccc(C#N)cc1[C@]21NC(=N)N(CC2CC(F)(F)C2)C1=O"]
["126157778","CC(C#N)CN=C(O)NC(C)c1cc2ccccc2o1"]
["MCULE-4532996941","CCOC(=O)c1cn2cc(-c3ccc4n[nH]cc4c3)ccc2n1"]
["186528202","C/C1=C(/c2ccc(-c3cccc4ccccc34)cc2)N=C(c2ccc3oc4ccccc4c3c2)N=C(c2ccccc2)CC1"]
["160826733","CC(N=C(O)Nc1ccc2c(c1)CCCC2)C1CCCOC1"]
["54878207","O=C(CSc1nc2ccccc2[nH]1)N1N=C2C(=Cc3cccs3)CCCC2C1c1cccs1"]
["51517778","CCOc1cc(/C=C2\\SC(=O)N(CC(=N)O)C2=O)ccc1OCC(O)=Nc1ccccc1C"]
["MCULE-6737553341","COc1ccc(C(=O)NCC2CN(Cc3ccc(F)cc3)CCO2)c(-c2ccc(SC)cc2)c1"]
["MCULE-9653670750","Cc1ccc(C2=C(Nc3cc(C)cc(C)c3)C(=O)N(CC3CCCO3)C2=O)cc1"]
["153371793","CN1CC(Cn2c(CN(C)[C@@H]3CCCc4cccnc43)nc3ccccc32)C1"]
["123096216","CC(C)(Oc1cccc(Cl)c1)C(O)=NCc1ccsc1"]
["79020945","O=C(O)C/C(=C/c1ccccc1)C(=O)O.O=C(O)C/C(=C/c1ccccc1)C(=O)O"]
["MCULE-3652404368","Cc1c([N+](=O)[O-])cc(C(O)=NCC(=O)N(C2CCCCC2)C2CCCCC2)cc1[N+](=O)[O-]"]
["56978181","Cc1ccc(-c2nnc(CN3CC(CO)C3)o2)cc1"]
["MCULE-9018400255","Cc1ccc(-c2ccc(N=C(O)C(C)N(C)C(=O)OC(C)(C)C)nc2C)o1"]
["170721963","O=C(CCn1cnc2c([nH]c3ccc(Cl)cc32)c1=O)N1CCC(Cc2ccc(F)cc2)CC1"]
["66503556","Cc1ccc(-c2nc3cc(NC=C4C=C(Cl)C=C(Br)C4=O)ccc3o2)cc1C"]
["125835653","CN(CC(O)=NCCc1nnc(-c2ccccc2)o1)Cc1ccccc1"]
["121392677","COC(=O)c1cccc2nc(N=C(O)c3cccnc3Br)[nH]c12"]
["MCULE-6616374043","O=C(OCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1F"]
["13266203","C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC1"]
["MCULE-5555828684","CCOCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O"]
["MCULE-4791468792","CCCCC(N=C(O)c1ccc2c(c1)C(=O)N(C(C)C(=O)O)C2=O)C(O)=NCC(O)=Nc1ccccc1"]
["MCULE-1989126798","CC(=O)CCC(O)=Nc1ccc(F)c(F)c1-c1cccc(CN2CCOCC2)c1"]
["68969301","COc1cc(C=CC(O)=Nc2nnc(SCc3ccccc3F)s2)cc2c1OCCO2"]
["188168935","O=S(=O)(Nc1cccc(-c2ccc3c(c2)CCC(c2cc(F)c(F)cc2F)O3)c1)C(F)(F)F"]
["145522933","c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)c4)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1"]
["140767338","Cc1cccc(C2CCCN2C(=O)CC2Sc3ccccc3N=C2O)n1"]
["166716907","CCOC(=O)c1ccc(C(=O)CCCl)c(CCl)c1"]
["97718222","CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(CO)O6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](OC(=O)c4ccccc4)C[C@@H]32)C1"]
["161780690","COc1ccc(S(O)(c2ccc(C)cc2)C(C)CCCC(=N)O)cc1"]
["9960686","CN(C)[C@@H](C[NH2+]Cc1ccccc1)c1ccc(F)cc1"]
["178069136","CCc1ncnc(N2CC(Cn3ccnc3)C2)c1F"]
["MCULE-9466437673","CN1CCN(c2ccccc2N=C(O)c2cc(F)cc(-c3cccc(CC(=O)O)c3)c2)CC1"]
["171499888","C=CC(=O)N1CCOCC1.N=c1cc(-c2cccc(Cl)c2)nc[nH]1"]
["198109785","CC(C)n1nccc1C(=O)N[C@H](C(O)=Nc1ccc([C@H](C)C(O)=NCC(F)(F)CN=C(O)OC(C)(C)C)cc1F)C(C1CC1)C1CC1"]
["65145465","CC1=CC(C)(C)N(C)c2cc(F)c(C=Nc3ccc(C)c([N+](=O)[O-])c3)cc21"]
["50658561","Nc1ccccc1N=C(O)CCCCCC(O)=NCc1ccccc1-c1ccc(C2OC(Cn3cnc4ccccc43)CC(c3ccc(CO)cc3)O2)cc1"]
["197713297","CCC(CC)(C(=O)/C=C(\\O)C(CC)(CC)C(F)(F)F)C(F)(F)F.Cc1cc(C)c2c(C3CCC(C)(C)CC3)cc(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nc2c1.[Ir]"]
["102660089","Cc1ccccc1C(O)=NC[C@](O)(c1ccco1)c1cccs1"]
["174142885","CC[C@]12CCNC[C@H]1c1cc(Nc3ccccc3)cc(C(F)(F)F)c1N2C"]
["110855822","C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O"]
["97056855","C/C(=C/c1cc(Br)cc(C(F)(F)F)c1)C(=O)N(C(C)C)C(C)C"]
["169322378","O=C(NC1[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@@H]12)c1ccn(CC(F)F)n1"]
["795315","COc1cccc(C(=O)N=c2sc3c(C)ccc(OC)c3n2C)c1"]
["48010448","CCCCCOc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC"]
["MCULE-9805177925","COc1cccc(C#N)c1-c1cnc(N2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc1C"]
["140381397","CCCN(CC(=O)N(C)C)C(=O)CC(C)c1c(C)noc1C"]
["MCULE-3897786864","CCc1nn(Cc2ccc(C)cc2)c2c1C(c1cccc(Cl)c1)C(C(O)=NCCOC)=C(N)O2"]
["164326199","O=C(O)CN=C(O)N1CCC(C(O)c2cccs2)CC1"]
["162888530","CCn1ncnc1C(=O)C1(C)CC1F"]
["79983097","C=CCn1c(=O)c(C2C3=C(CC(C)(C)CC3=O)Oc3cc(C)oc(=O)c32)cc2ccccc21"]
["98179851","COc1ccc(C2=CC3(CCN(CC(=N)O)C3)ON2)cc1OC1CCCC1"]
["MCULE-7275548557","Cc1cc(C(=O)Nc2cccc(F)c2-c2c[nH]c3nccc-3c2)nn1C"]
["173746586","[B]C(C)(C)CC(C)(C)C(C)(C)CC1OC1C(C)(C)C(C)(C)C(C)C(=O)O"]
["133647299","CCc1nccn1C1CCCN(CC(O)COc2c(Cl)cccc2Cl)C1"]
["122060825","Cc1ccc(N=C(O)C(C)S(=O)(=O)Cc2ccon2)cc1F"]
["52814359","CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(CN)n1C"]
["115348764","Cc1ccc(OCC(=O)N2CCc3c(C)noc3C2)cc1C"]
["157506220","COc1ccc(C(=O)CCC(O)=N[C@H]2CCN[C@H](C)C2)cc1F"]
["22197789","[NH2+]=C(O)N=C(O)CN1CCC(C2=c3ccccc3=NC2)CC1"]
["95751725","CCCc1cc(CNC(C)(C)C)cc(OCC(F)(F)F)n1"]
["7075622","C[C@H](Nc1ccc(Cl)cc1)C(O)=NC(O)=NCC(F)(F)F"]
["163295494","COc1c(C(C#N)CN)cc(Br)c(F)c1C"]
["157532227","CC(C)n1cc2c(n1)C[C@@H](N=C(O)[C@H]1CC(F)(F)CN1)CC2"]
["158801210","C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc23)C[C@@H](C)S1=O"]
["133882996","OC(CSCc1cscn1)=Nc1nc(-c2ccc(F)c(F)c2)cs1"]
["88604951","CC(C)N=C(O)C1COCCN1C(=O)[C@@H]1CCCNC1"]
["18466766","Cc1cccc(OC[C@H](C)N=C(O)Cn2ccc(O)nc2=O)c1"]
["156210594","Fc1cccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]
["125723586","Cc1cc(N=C(O)c2cc(Br)cs2)ccc1N1C(=O)CCC1=O"]
["133479282","CC(SC(C)c1ccc2ccccc2c1)C(O)=NC1CCS(=O)(=O)C1"]
["185728965","CC(C)(C)c1ccc2c(c1)C(NCC(O)CS(=O)(=O)c1ccc(F)cc1F)CCS2(=O)=O"]
["110662622","CCN1CC(O)=N[C@H]1c1ccc(OC)cc1"]
["82444527","COC1=CC(=C2C=NC3N=CC(C(=O)C4(C)COC4)=C3N2)C=C(OC)C1=O"]
["95774175","CCCNc1cncc(NC2CCCC(C)(C)C2)c1"]
["106356949","Cc1cccc(C[C@H](O)CNC2CC2)c1"]
["185400066","Cc1c(N=C=O)cc(C(C)C)cc1N=C=O"]
["45497478","COc1ccc(-n2nnnc2C(F)(F)F)cc1CN1C[C@@H]2C[C@@H](OC)CN2[C@H](C(c2ccccc2)c2ccccc2)C1"]
["43991290","CCCCOc1ccc(/C=C2\\SC(=S)N(C3CCS(=O)(=O)C3)C2=O)cc1"]
["75370475","CCOc1ncc(N)cc1C1CC1"]
["MCULE-6294756130","OC(=Nc1ccnnc1)c1c(F)ccc(-c2c(F)ccc(F)c2F)c1F"]
["69731004","COc1ccccc1-c1nc(CSC2=NNC(=C3C=Nc4ccccc43)O2)cs1"]
["10795207","C/C=C/c1ccc(OCC(=O)N(CCC)CC(O)=Nc2ccccc2C)c(OC)c1"]
["170664494","COc1ccc(-n2nnc(C(=O)N3C4CC5CCC4(C(=O)N3c3ccccc3)C5(C)C)c2-c2ccc(C#N)cc2)cc1"]
["3545045","Cc1ccccc1-n1ncc([C@@H](C)N=C(O)c2cc(C3CC3)on2)c1C"]
["184485881","COC(=O)C1CNCC[C@@H]1c1ccccc1"]
["42678430","CC(C)C(O)=NC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1"]
["146172760","Cc1oc(C(=O)N2CCC(NCC3CC3)CC2)cc1S(=O)(=O)N(C)C"]
["94802208","CC(O)c1ccccc1NCc1cncc2ccccc12"]
["185515742","CC1N(C=O)C(C)N1C=O"]
["MCULE-4705528497","Cc1cncc(NC(=O)c2cc(F)ccc2-c2ccc(CC(=O)O)cc2)c1"]
["14288238","CCN(Cc1ccccc1)C(=O)CN=C(O)NN=C(O)c1sccc1C"]
["MCULE-7454228524","CCOc1cccc(-c2ccc(CC(=O)N3CCC(CC4Cc5cc(OC)c(OC)cc5C4=O)CC3)c(C)c2)c1"]
["95984278","CCCc1ccc(S(=O)(=O)NN=C(O)C2CCCO2)cc1"]
["76825478","CC(=NOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1"]
["MCULE-4980400090","CCOc1ccc(-c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2C#N)cc1"]
["MCULE-6810028492","CCOc1ccc(-c2cc(F)c(N=C(O)C3CCC(=O)CC3)c(F)c2)cc1"]
["181901329","OCc1ccc(-c2cnc3nnn(CCc4ccc5ncccc5c4)c3n2)cc1"]
["130228603","Cc1cccc2[nH]cc(CC(=O)OCc3ccccc3NC(=O)c3ccco3)c12"]
["MCULE-2159737727","Cc1ccnc(N=C(O)c2cnccc2C(F)(F)F)c1-c1ccc2[nH]ccc2c1"]
["31032702","OC(=NC1CCC(N=c2ccc3c([nH]2)CCCC3)CC1)c1cc(F)c(F)c(F)c1"]
["53851849","C(OCC1CO1)C1CO1.CC1(C)CC1"]
["MCULE-5900990604","CCCOc1ccc(C2=C(Nc3ccc(C(=O)OCC(C)C)cc3)C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1"]
["113923912","CC(C)C(S)C(=O)N1CCn2c(nnc2C(F)(F)F)C1"]
["195282185","C=C1CC(SCC2CCC(COC(=O)N(c3ccccc3)c3ccc(Cl)cc3)CC2)=NN1.CC(C)N(CCCCSC1=NCC(O)=N1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1.O=C(OCC1CCC(CCSc2n[nH]c(O)n2)CC1)N(c1ccccc1)c1ccc(Cl)cc1"]
["MCULE-9386596205","COc1nc(C)nc(N=C(O)c2cc(OC)c(OC)cc2-c2ccc(C#N)s2)n1"]
["173376973","CC(N=C(O)c1cc2ccccc2s1)C(O)=NC1=CNC(c2ccccc2F)N=C1O"]
["102022328","NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1"]
["85772896","CC(=O)CN=C(O)NC1CCOC1"]
["14489078","COc1cc(CNC(O)=NCCCNc2ccccc2)ccn1"]
["82885097","CCC(CC)N1C(=O)C(C)(CC(=N)N)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1"]
["166077458","CCCOc1cc(N=C(O)c2ccsc2)c([N+](=O)[O-])cc1OCCC"]
["70051477","CCOc1ccc(Cc2cc(C3CC(CO)C(O)C(O)C3O)ccc2Cl)cc1"]
["138546802","O=C(c1ccncc1)N1CCCC(C(O)=NCc2ncc(-c3ccccc3)[nH]2)C1"]
["117418539","Cc1ccc(OCC(=O)N2CCN=C(O)C2c2ccc(C(C)C)cc2)cc1"]
["7148584","CC[NH+](C[C@H](O)c1ccc(OC(F)F)cc1)C1CCCC1"]
["46223539","Cc1cccc(OCCN=C(O)COC(=O)CSc2nc3ccccc3o2)c1"]
["176036940","COCC(F)(F)c1cccc(CCN)c1F"]
["21936408","CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccn1)N1CCCC1)c(O)c1ccccc12"]
["67385937","O=C(Nc1ccc(Br)cc1)C1CCCN(Cc2ccc(Br)cc2)C1"]
["112427065","CCOC(=O)CCC1CCC(c2cn[nH]c2)CC1"]
["45431588","O=C(Nc1cc(F)c(F)cc1C(O)=Nc1ccc(Cl)cn1)c1cnc(Cl)cn1"]
["181437974","CCCCCCCCCCCCCCC(C)(C)C(C)(C)N=[N+]=[N-]"]
["28688026","CC(C)Oc1cc(C(O)c2ccccn2)ccc1OCc1ccccc1"]
["79182790","C=C(CCl)C(=O)OCCCCC"]
["51449487","CN(C(=O)O)C(CO[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1"]
["108307529","CCOC(=O)/C=C\\c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1"]
["196027728","CCCCCCC/C=C\\C/C=C\\CCCCCCCCCCCC(=O)OC(/C=C\\CCCCCCCCC)CCCCCCC(O)=NC(CCCN)C(=O)O"]
["148041933","O=C(O)C1CCC(NC(c2ccccc2)c2ccccc2)CC1"]
["7546990","O=[N+]([O-])c1cccc(CN=C(O)CCNS(=O)(=O)c2cccs2)c1"]
["159251171","COc1c(F)cc(OC(F)F)cc1OC(F)(F)F"]
["144673006","O=C(O)CC(c1c(F)c(F)cc(Br)c1F)C1CC1"]
["84429136","CN(c1ccc([N+](=O)[O-])cc1C#N)C1CCS(=O)(=O)C1"]
["149003883","Cc1cc(OC(C)(C)C)cc(C)c1C[C@@H](N=C(O)OC(C)(C)C)[C@H](C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](Cc1ccccc1)C(=O)O)O[Si](C)(C)C(C)(C)C"]
["69006911","CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1"]
["30031194","COCCN1CCc2ccc(Nc3ncc(Cl)c(=Nc4ccccc4C(O)=NCCCCN(C)C)[nH]3)cc2CC1"]
["65733895","OC(C#Cc1ccccc1)=NCC(O)C1CC1"]
["92798367","CCCCCCNS(=O)(=O)c1cc(C)c(F)c(N)c1"]
["53917979","Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)cc1"]
["3802900","C[C@@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2F)n(C)c1=S"]
["58850171","CCCOc1ccccc1OCC(=O)c1ccc(Cl)cc1"]
["18344540","CS(=O)(=O)N(Cc1cn2cc(Cl)ccc2n1)c1ccc(Cl)cc1F"]
["226551","Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3cccc4ccccc34)cc2)n1"]
["66560410","CNS(=O)(=O)c1ccc(CN=C(O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cc1"]
["31960752","Cc1c(C(O)=Nc2ccc(Br)c(F)c2)c(=O)n(-c2ccccc2)n1C"]
["133491640","CC1CCCN(CCCCN=C(O)C=Cc2cncc(F)c2)C1"]
["79389455","CCCCCCCCCCOC(=O)/C(C)=C(\\CC)N(C)C"]
["98501644","CB1CCc2ccccc21.CSCN"]
["164240740","Cc1ccc(S(=O)(=O)Sc2c(C)noc2C)cc1"]
["4667277","C[NH+](C)CC(=O)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1"]
["92727276","CCCNC/C(=C/C(C)COC)C(C)C"]
["MCULE-3044882295","CCOc1ccc(C=CC(=O)N2CCC(C(O)=Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1OC"]
["140728284","COCC(C)n1ccc(NS(=O)(=O)c2ccc(C)cc2F)n1"]
["116454042","CN=C(O)CC1CCN(C(=NC)NCc2ccc(CN3CCCC3=O)cc2)CC1.I"]
["140106088","COCCN(CCOC)C(=O)C=Cc1cncc(F)c1"]
["MCULE-6214335375","CCN(CCOC)C(=O)Cc1cc(-c2cccc(F)c2)cc(C(F)(F)F)c1"]
["97114349","COc1ccc2c3c(c(C)cc2c1)-c1ccccc1C(O)O3"]
["166939714","CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC"]
["93163530","OCc1ccc(SCC2CCCCC2)cc1"]
["167115492","CN(C)CC(=O)N1CC[C@@H](NC(=O)c2noc(C(C)(C)C)n2)c2ccc(-c3ccnc(Nc4cnn(C)c4)n3)cc2C1"]
["64375607","C=CCCOC(=O)[C@@H]1[C@@H]2CCC3(S2)C(C(=O)N(CC=C)Cn2nnc4ccccc42)N([C@H](C)CO)C(=O)[C@H]13"]
["170688184","C[C@@H]1COCCN1c1cc(N2CCOCC2)c2c(F)cnc(-c3cc[nH]n3)c2n1"]
["66723260","CN(C)n1ncn2c(N)cnc12"]
["112472309","C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1C(=O)O"]
["49053499","CCC1CCN(C(=O)Cn2cc(N)ccc2=O)CC1"]
["170421663","C=C1CC2CCCC(C1)N2C(=O)OC(C)(C)C"]
["100680774","c1ccc2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)c5ccc6c(-n7c8ccccc8c8ccccc87)ccc3c6c54)ccc2c1"]
["MCULE-6496353333","Cc1ccc(-c2ccc(CC(O)=Nc3onc(C)c3C)c(C)c2)c(C)c1"]
["174282044","COc1ccc(S)cc1-c1nnc(CSc2cccc(-c3cncnc3)c2)s1"]
["76133094","C=c1c(-c2ccc(Cl)cc2)cc2[nH]c3c(c2c1=C)Cc1cccn1C3C"]
["MCULE-2412717899","CC(=O)c1ccc2[nH]c(C(=O)N=C3CCN(C)C(O)=N3)cc(=O)c2c1"]
["MCULE-9077287575","CN(C(=O)c1ccccc1)c1ncc(-c2ccc(F)cc2F)cn1"]
["84841166","N=C(N)c1c(Cl)cccc1SC1COC1"]
["188902811","Cc1c(-c2ccc(C#N)cc2)cccc1-c1ccc(C#N)cc1"]
["142598982","CN1C(=O)COc2ccc(N=C(O)N3CCCC3Cn3ccnc3)cc21"]
["MCULE-4497466138","COc1ccc(N2C(=O)C(Nc3ccc(C(C)C)cc3)=C(c3ccccc3OC)C2=O)c(OC)c1"]
["175824366","CCCCOC(O)=N[C@H]1CNCC[C@@H]1F"]
["126264059","Cc1cccc(N=C(O)C2CCCN(C(=O)N3CCOCC3)C2)n1"]
["4354855","C[C@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1"]
["23182484","COc1ncc(C2(O)CCCC3CN(Cc4ccc(F)cc4F)CC32)c(OC)n1"]
["MCULE-1441349337","Cc1nn(C)cc1-c1ccc(CC(=O)N2CCN(CCC#N)CC2)cc1F"]
["173367720","CCN=C(C)/C=C(\\C)N=c1nc(-c2ccc(-c3ccccc3)cc2)[nH]c2ccccc12"]
["141940069","OC(CNC1(c2cccc(Cl)c2)CCCC1)=Nc1cccnc1Cl"]
["43834542","C[C@@]12C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1C[C@@H]1C(=CC[C@@H]3C(=O)N(c4ccc(Nc5ccccc5)cc4)C(=O)[C@@H]31)[C@@H]2c1cc(Cl)ccc1O"]
["10870313","CCN(CCO)CC(=O)N(C)CC(O)=[NH+]Cc1ccco1"]
["51962483","CC(C)(C)[Si-]=[O+]C(C)(C)C1CC(O)C1"]
["MCULE-9047728305","CCc1nn(-c2ccccc2)c2c1C(c1ccccc1[N+](=O)[O-])C(C(O)=NCC1CCCO1)=C(N)O2"]
["76428531","COC(=O)C(Cc1ccccc1)N=C(O)C1CCC(O)=NC1"]
["18503450","CC(C)Oc1ccccc1C(O)=NC(S)=Nc1cccc(CCC(=O)N(C)C)c1"]
["124100107","CCc1cc(=O)c2cc(N=C(O)CC(C)Cc3ccccc3OC)ccc2[nH]1"]
["108148261","COc1ccc(CC(O)=NC[C@H]2CCCN(Cc3cccnc3N)C2)cc1"]
["120836886","Cc1cc(C)c(-c2nc(C)c(CS)s2)cc1C"]
["157266677","C[C@@H]1C[C@@H](C(=O)N(C)[C@H](C)CC#N)CO1"]
["124671637","CC(=O)CCCC(=O)N(Cc1cccc(F)c1)C1CC1"]
["123050133","COCc1ccc(C2CCCN2C(=O)C2CC(c3ccccc3)=NO2)o1"]
["44954926","CCCN(CC)CCCCC(C)(NC(C)C)C(=O)O"]
["187429173","CN(Cc1ccc(OCCF)cc1)CC(O)COc1ccccc1"]
["141242469","Cc1cc2c(cc1Br)N(C(=O)CN1CSCC1=O)CC(C)O2"]
["MCULE-5419434112","COc1ccccc1Oc1ccc(C(=O)N(C)Cc2ccccc2-c2ccc(C(=O)N(C)C)cc2)cc1"]
["124308665","Cc1ncc(COC(=O)CCCc2ncc(-c3ccccc3)o2)s1"]
["MCULE-9679532435","CCCCCCOc1ccc(NC2=C(c3cc(OC)ccc3OC)C(=O)N(c3ccccc3Cl)C2=O)cc1"]
["106301015","CN1CCN(C[C@H]2CCC[C@@H](N)C2)CC1"]
["171333625","CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(O)=Nc4nnc(-c5ccco5)s4)cc3)nc2s1"]
["59127115","COC(=O)C1(C)CNCCC1O"]
["119035426","OCCCSCCN=C(O)Cc1ccccc1Br"]
["14166510","Cc1ccc(N=C(O)CCn2c(C)csc2=O)c(C(=O)N(C)C)c1"]
["30457067","CN(N=C[C@H]1[C@@H](CCc2ccc(C(=O)O)cc2)[C@H]2CC[C@@H]1O2)C(=O)c1cccnc1"]
["33884605","C[C@]12CC[C@@H]3[C@H]4CC[C@@H](O)C(O)[C@@H]4CC[C@H]3[C@@H]1CCC2=O"]
["172298950","O=S(c1ccc(S)cc1)c1ccc(S)cc1"]
["188195456","CCOc1ccc(C2=CN(c3ccc(-c4ccccc4OC)cc3)C3=NCCCCN23)c(OC)c1"]
["134924687","Cc1nc(C(O)=Nc2ccc(C)c(OCC(F)F)c2)c(C)s1"]
["7215634","COC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(OC)cc2)nc1C"]
["142464775","CCCCC1CCCC1N=C(O)N1CCC(N2CCCC2)CC1"]
["120517183","Nc1ccc(C(C(F)F)C2CCCCC2)cc1"]
["93260274","COC(C)(C)c1noc(-c2cccc3c2CCNC3)n1"]
["86128788","CCN=c1[nH]nc(C(=O)N(C)C2CCC(CC)CC2)s1"]
["5877957","C[C@H]1C[C@@H]1C(O)=Nc1cc2c(cc1Br)OCCO2"]
["58422012","Cc1cccc(C(O)=NCC(=O)C(C)(C)C)c1"]
["53494636","CCN(CC)CCOC(=O)c1ccc(NN=C2C=C(C)C(=O)C=C2C(C)C)cc1"]
["144193041","Cc1nc(-c2cccc(C(=O)Oc3ccc(OCC(=N)O)cc3)c2)cs1"]
["4254535","CC(C)COC[C@@H](N=C(O)[C@@H](C)Oc1cccc(C=O)c1)c1ccco1"]
["127698035","Cc1cc(F)ccc1-c1ccc(C(=O)N(C)Cc2ncc(Cl)n2C)cc1F"]
["138721028","COCc1ccccc1NCC(O)=NC(c1cccs1)C(C)(C)C"]
["MCULE-3223820667","COCCN=C(O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)C1c1ccccc1C(=O)O"]
["44980040","CC[C@@H](C)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1"]
["57097378","Cc1cc2c(c(O)c1C)[C@@H]1C3[C@@H]4SCC(N)C(=O)OC[C@H](c5c6c(c(C)c(O)c54)OCO6)N3[C@@H](C#N)[C@H](C2)N1C.[Ac]"]
["103560157","Cc1nc(N2CCOCC2)sc1C(O)=NNC(O)=N[C@H]1CCC[C@H](C(F)(F)F)C1"]
["MCULE-1389394464","COc1cccc(F)c1-c1ccc(F)c(CCC(=O)N2CCCC(=O)c3ccccc32)c1"]
["MCULE-5505021663","COc1cncc(-c2cccc(OC)c2C(O)=Nc2ccc(OC)nc2)c1"]
["MCULE-4347264682","Cc1cc(C)n(CCOC(=O)C2CCC(O)=N2)n1"]
["190556955","CC(=O)N1c2ccc(-c3cnn(C4COC4)c3)cc2N(C(=O)OC2CC2(F)F)C(C)[C@@H]1C"]
["9329388","COCCCOc1ccccc1NC(O)=NCCCOCC1CC1"]
["105700454","Cc1cccc(CSCC(O)=N[C@H](C)c2ccc(-n3cc(C(=N)O)nn3)cc2)c1"]
["23811884","C=CCN1C(=O)/C(=C\\c2cccn2-c2ccc(C(=O)O)cc2)C(O)=NC1=S"]
["195996352","C=CCCC(C)C1OC(COC)C(O)C(OC)C1OC"]
["MCULE-3639582436","COc1ccc(-c2ccc(CC(=O)N3CCc4cccnc43)c(OC)c2)c(F)c1"]
["MCULE-6418256140","COc1ccc(OC)c(NC(=O)c2c(C)cc(-c3c(F)cccc3F)cc2C)c1"]
["MCULE-3123419327","CC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(O)=Nc1cc([N+](=O)[O-])ccc1-c1cc(F)cc(C#N)c1"]
["14933171","Cc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1"]
["14483023","CCCC[C@@]1(c2ccc(F)cc2)N=C(O)N(CC(=O)N2CCc3ccccc3C2)C1=O"]
["33446935","N#CCCN1CCN(c2nc(Nc3ncc(-c4ccccc4)s3)nc(Sc3ccccc3)n2)CC1"]
["54730607","CC1CCN(C(=O)c2ccc(Cl)c(N=C(O)CN3CCC(C(O)=NC(C)C(O)=Nc4cc(F)ccc4F)CC3)c2)CC1"]
["105645910","CC[C@@H]1NCC[C@]12CCSC2"]
["197979446","Cc1cc(C)c2cc(N=C(O)c3ccc4c(c3)C(=O)CCO4)ccc2n1"]
["175998796","CC(C)(C)OC(=O)N1CCN(c2ccc(N=c3[nH]cc(Br)n4ccnc34)cc2)CC1"]
["24230714","CC1Cc2ccccc2N1C(=O)Cn1c(=O)n(C)c2ccccc21"]
["189908863","COCOc1cc(-c2cnn(C3CCCCO3)c2)ccc1-c1cc2scc(O)c2nn1"]
["89009579","CC(C)Cc1ccc(-c2cc(C#N)nn2CCF)cc1"]
["64822965","CCn1nccc1C(C)NC(=O)c1ccn(COc2cc(F)ccc2[N+](=O)[O-])n1"]
["49422749","COc1ccc(-c2cc(=N[C@H](C(=O)[O-])C(C)C)c3cc(C)cc(C)c3o2)cc1"]
["22363639","C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H](C)O1"]
["50007410","CCCNC(Cc1ccc(Cl)cc1)C1CCCCC1CC"]
["110750757","CCCOc1c(/C=C(/C#N)C(O)=Nc2ccc(OC)c(Cl)c2)cccc1OCC"]
["177765558","N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)cnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccncc43)cccc21"]
["27448128","CC(C)C[C@H](N=C(O)N1CCCCCC1)C(O)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1"]
["63683247","CC/C(=N/N=C(O)c1nnn(-c2nonc2N)c1C(C)C)c1ccccc1"]
["MCULE-5107244697","CC(=O)c1cccc(-c2cc(C)c(NC(=O)c3cnccc3C(F)(F)F)c(C)c2)c1"]
["194972461","C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)C=Cc3ccc(O)c(O)c3)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O"]
["MCULE-9010485133","COc1cccc(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCc4cc(OC)c(OC)cc4C3C(C)C)n2)c1"]
["96303390","CC(CO)COc1ccccc1[C@@H](C)O"]
["106157280","N#CC[C@@H]1CCCC[C@@H]1c1ccccc1F"]
["MCULE-6136048490","CCCOc1c(C=NN=C(O)c2nc(-c3ccccc3)sc2C)cccc1OC"]
["131540415","OC(CSc1ccc(Cl)cn1)=NCc1cccnc1"]
["100776482","Cc1ccc(CN2CCCC(Br)C2=O)cc1F"]
["MCULE-7219113959","COc1ccc(CC(O)=NC2Cc3ccc(-c4ccc(C)o4)cc3C2)c(OC)c1"]
["82574719","CN(C(=O)c1ccc(Cl)cc1)C1CCN(C(=O)C2CCN(C3CC3)CC2)CC1c1ccc(Cl)c(Cl)c1"]
["184377782","CC[C@@H](C)N(CCC(=O)[C@@H]1CCCN1)C(C)=O"]
["138704643","CCCNc1ccc(C#N)cc1N=C(O)c1cc(S(N)(=O)=O)cc(C)c1C"]
["193134440","CN=C(O)C(C)C(C)[C@H]1CC[C@@H](C23CC4CC(CC(c5ccccc5)(C4)C2)C3)[C@H]1C"]
["27196241","CC(C)(C)c1cc(SCCC(=O)N2CCC[C@H]2C(=O)O)cc(C(C)(C)C)c1O"]
["160885497","CC1(C)CCN(C(O)=NC2CCC(C(F)F)CC2)C1"]
["185057369","CC(C)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]
["MCULE-9488318802","Cc1csc(C)c1N=C(O)c1c(F)ccc(-c2cccc(F)c2C)c1F"]
["MCULE-3273393598","CCCCC(C(O)=Nc1ccc(Cl)c(Cl)c1)N(CCCO)S(C)(=O)=O"]
["78524533","C=C(COCCCS)C(=O)OCC"]
["51905748","CN(C(=O)C1CCC(c2ccc(Cl)cc2)CC1)C1CCN(C(=O)N2CCC(NC3CCOCC3)C2)C1"]
["118041014","CCN=C(NCCN1CCN(C(C)=O)CC1)N(C)Cc1ccccc1C.I"]
["45952506","CC(C)(C)CS(=O)(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1"]
["51820043","CCn1cc(N)c(C(=O)Nc2cccc(F)c2F)n1"]
["122276571","Cc1ccc(C)c(C(O)=NCc2ccc(C(C)(C)O)cc2)c1"]
["190940736","N=c1ncc(C=O)c[nH]1.O=Cc1cnccc1C(F)(F)F"]
["173013695","CCCCCOc1ccc(-c2ccc(C(=O)O)cc2)nc1"]
["100287338","O=C(NC(c1ccccn1)C(F)(F)F)C1=C2C=CC=CN2C(C(=O)N2CC[C@@H](F)C2)N1"]
["30447524","Cc1cc(/C=C/C(O)=Nc2ccc3c(c2)N=C(O)C3(C)C)n[nH]1"]
["121404111","COC1(C)CC(N(C)C(O)=NCc2ccc(N3CC=CC3)cc2)C1(C)C"]
["MCULE-3811435803","O=C(CCCCCN=C(O)c1cnccn1)N1CCN(c2ccccn2)CC1"]
["MCULE-5479952424","Cc1cc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(c3ccc(C(C)C)c(C)c3)C2=O)ccc1F"]
["MCULE-6827081840","Cc1cnccc1CN1CCCC(CN=C(O)c2ccccn2)C1"]
["89971947","Cc1ccc(C(=O)Nc2nc(C)c(Cc3ccc(Cl)cc3)s2)o1"]
["9077982","COc1cc(C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)[NH2+]3)CCN(C)C5)c2)cc(OC)c1OC"]
["MCULE-4010051566","Cc1cc(C)c(-c2cc(F)c(F)c(F)c2N=C(O)CC2CCCCC2)c(C)c1"]
["MCULE-9295872987","CC(C)(C)N1C(=O)c2ccc(C(O)=Nc3ccc([N+](=O)[O-])c(F)c3)cc2C1=O"]
["23864583","OC12CC3C4CC5C(CC1C35)C42"]
["MCULE-6327238053","C=C(C)CN(C(CC(C)C)C(O)=Nc1cccc(N(C)C)c1)S(=O)(=O)c1ccccc1"]
["MCULE-3318496380","CCOc1ccc(NC(=O)C(C)(CC)N=C(O)CC(C)c2cccc(OC)c2)cc1"]
["MCULE-5857114880","COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3ccc(Br)cc3)c(OC)c2)cc1F"]
["MCULE-7160184641","O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1"]
["MCULE-2885934495","COCCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2-c2ccc(OC)cc2F)CC1"]
["17053762","CCCCn1c(SCC(=O)c2ccc(CN=C(C)O)s2)nc2ccccc2c1=O"]
["127951714","CCOC(=O)Cn1cccc(N=C(O)N2CCCC2Cc2ccccc2)c1=O"]
["96013898","Cc1cc(NN)ccc1C(=O)NCc1ccc(F)cc1"]
["76214311","Cn1c(Nc2c(Cl)ccc(CN=C(O)OC(C)(C)C)c2Cl)nc2cc(C(O)=NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21"]
["MCULE-5192213446","CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1"]
["MCULE-9737278445","COc1cc(-c2nc3ccccc3n2CC(=N)O)ccc1OCc1ccccc1"]
["170251858","CCCCOC(=O)CN(CC)c1cc(Cl)cc(Cl)c1"]
["92052216","CC(O)C(C)(C)NS(=O)(=O)N(C)CCC(=O)O"]
["MCULE-3842776007","O=C(Cc1ccc(F)cc1-c1cnn(C(F)F)c1)N1CCN(Cc2ccccc2F)CC1"]
["200513385","COc1cc(N2CCCC(F)(F)C2)c(Br)cc1[N+](=O)[O-]"]
["MCULE-9897336607","Cc1nc(C(O)=NCC(N=C(O)CCc2cccnc2)c2ccccc2)co1"]
["196469192","Cn1c(C(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc2cccc(Cl)c21"]
["33267842","N#CCC(O)=Nc1c(C#N)ncn1-c1ccc(F)cc1"]
["88643288","COc1ncccc1COc1ccc(C#CCO)c(C)c1"]
["96116390","COC(=O)C1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1"]
["134802903","CC1CCN(C(=O)c2cccc3c2oc(=O)n3C)c2ccccc2S1"]
["MCULE-3297582234","Nc1ncc(C2C(CCS)C2(F)F)cc1CO"]
["170789434","CCOC.CSC(=O)/C(Br)=C\\NC=NCC=O"]
["47886825","CC1CCCCN1S(=O)(=O)NCC1CCCC1N"]
["13967134","CCOC(=O)c1nc(-c2cccc([N+](=O)[O-])c2)no1"]
["58275732","CCn1c2ccccc2c2cc(N=C(O)c3cc(N=C(C)O)ccc3NS(C)(=O)=O)ccc21"]
["143436650","Cc1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)s1"]
["125122403","CC(C)Cn1cnc(S(=O)(=O)NC2CCCC2O)c1"]
["1253733","C[C@H](N=C(O)C[C@H](NC(=N)O)c1cccc(Oc2ccccc2)c1)c1ccccn1"]
["86388494","CCCNc1cc(OC2CCC(C)C(C)C2)ncn1"]
["157468336","COc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H](C)CN"]
["31531205","Br.COc1ccc2cccc(C3=C(C)SC4=NCCN43)c2c1"]
["129357591","CCC(CC)(CC)N=C(O)C(C)Cc1c(C)nn(C)c1C"]
["MCULE-3231232351","CCCCOc1ccccc1N1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccc(Cl)c(Cl)c2)C1=O"]
["126151456","CC(C(O)=NCC(C)(C)N)c1cc2ccccc2o1"]
["200494839","OC(=NCC=Cc1cccc2ccccc12)OCc1ccccc1"]
["MCULE-3704679850","COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)c1O"]
["130067806","COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc(-c2ccccc2)[nH]1"]
["117621753","N#Cc1cccc(N=C(O)c2cnc3nccnc3c2)c1"]
["MCULE-8588285922","Cc1nocc1C(O)=Nc1cccc(-c2ccc(F)c(C#N)c2)c1"]
["84497160","CN(Cc1ccc(O)cc1)C(=O)C1CN=C(O)C1"]
["117893456","CCN=C(NCCCc1ccc(Cl)cc1)NCC1CCCO1.I"]
["110226583","O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1cccc(F)c1F"]
["79981001","C[C@H](N=C(O)Nc1cccc(Br)c1)c1ccccc1"]
["MCULE-1550098272","CC(C)Oc1ncccc1-c1cc(C(=O)N2CCC(N3CCOCC3)CC2)c(F)cc1F"]
["188792018","O=C1N=C(O)CC/C1=c1\\c(=O)c2ccc(Br)c3cccc1c32"]
["81836861","COC(=O)c1ccc(Nc2nc(=NCc3ccc(Cl)cc3)nc(OCc3ccccc3)[nH]2)cc1"]
["MCULE-5747190949","Cc1cnc(C(=O)OCc2cnc(Cl)nc2)cn1"]
["9683987","Cc1cc(C)c(N=C(O)C[NH+]=C(O)CCN2CCCCC2)c(C)c1"]
["MCULE-7409493954","CNC(=O)c1cc(-c2ccccc2)nn1Cc1ccccc1OC"]
["47108585","C=C1CC(C(C)=O)C1"]
["MCULE-3282638126","O=C(c1cnc(-c2cncc3ccccc23)cn1)N1CCN(Cc2cccnc2)CC1"]
["187926927","C/C=C\\C1C2=CC(n3c4c(c5c6oc(/C=C\\CC)c(C)c6cc(C6=NC(/C(C)=C/C=C\\CC)=NC(c7ccccc7)C6)c53)C=CC3C=CC=CC43)=CC[C@@]2(C)N(C2=CCCC=C2)C1C"]
["79847732","CC(C)=CCCCC(C)C/C=C(/O[Si](C)(C)C(C)(C)C)[C@@H]1[C@@H]2CC(CCCCC(=O)O)=C[C@@H]2C[C@H]1O[Si](C)(C)C(C)(C)C"]
["10640954","Cc1ccc(-n2ccnc(SCC(O)=Nc3ccc(F)cc3F)c2=O)cc1Cl"]
["187247049","O=C(O)C(F)(F)F.OC1=N[C@H]2CCN(Cc3ccccc3)[C@H]2CC1"]
["105227533","O=[N+]([O-])c1ccc([C@@H]2[C@@H]3C(c4ccccc4)=N[C@@H](c4ccccc4)N23)cc1"]
["MCULE-6526502785","CN(C(=O)C1(C)CC1)C1CCN(C(=O)CCn2ccnc2)CC1"]
["MCULE-9520370524","O=C1C(Nc2ccc(F)c(F)c2F)=C(c2ccccc2F)C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1"]
["133405136","FC(F)(F)Oc1ccc(CN2CCC3(CCOC3)C2)cc1"]
["163976854","CCc1ncc(S(=O)(=O)NCCCn2ccccc2=O)[nH]1"]
["85079816","CCCNC1CCCC1CCN(C)C(C)C(C)(C)C"]
["81600640","CC(C)(C)OC(=O)N1CCC2C(c3nccn3COC(=O)C(C)(C)C)Nc3ccc(F)cc3C21"]
["135313450","CCCCOC(=O)Cc1ccc(-n2cnnn2)cc1"]
["59832870","O=C1C(=NNc2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2N1Cc1cccc(C(F)(F)F)c1"]
["MCULE-2859491386","COc1ccccc1C(O)=Nc1ccc(F)c(-c2ccco2)c1"]
["126244233","CC1Cc2ccccc2CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1"]
["137124733","Cn1cc(C(O)=NC2CCCC2CN=C(O)OC(C)(C)C)c(-c2ccccc2)n1"]
["145962732","CCCC(N)C(O)=Nc1ccc2c(c1)oc(=O)n2C.Cl"]
["165564885","CCCN(Cc1ccccc1O)c1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1"]
["78910760","Cc1ccc(C#N)c(-c2ccc(Cl)cc2)n1"]
["MCULE-4337878032","C#Cc1cn(-c2ccc(OC(C)C)cc2)nc1C(F)(F)F"]
["58107942","CCCCCO[Si](OCCCC)(OCCCC)OCCCC"]
["MCULE-3532223112","COc1cc(-c2ccc(N=C(O)OC(C)(C)C)cc2F)c(F)cc1O"]
["79773540","CC(C)(C)[Si](C)(C)OCCSC1=CC=C=C[CH]1.[Br-].[Mg+]"]
["44296144","CCCc1ccc(C(CSCCS(C)(=O)=O)NCC)cc1"]
["48565927","CC1(C(=O)O)CCN(Cc2ccc(Cl)c(F)c2)C1"]
["1039985","O=C1/C(=C\\c2ccco2)N=C(S)N1c1ccccc1"]
["130259683","COc1cc2c(cc1OC)CN(C(=O)CCCNCc1cc[nH]c1)CC2"]
["23444851","CSCC[C@@H](N)c1nc(C(O)=NCCNc2cccc3ccccc23)co1"]
["43089712","CC(C)(C)S(=O)(=O)CCN=C(O)CC12CC3CC(CC(Br)(C3)C1)C2"]
["170184985","N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1"]
["3995050","Cc1nn(C)cc1C(=O)N(Cc1cccc(Cl)c1)CC(C)C"]
["MCULE-6548964197","COc1ccc(-c2cc(C(=O)Nc3ccc(-c4cn(C)nc4C)c(C#N)c3)ccc2C)cc1"]
["175624385","Cc1ccc(C[C@H](NCC(=O)[C@H](C)N=C(O)CC[C@H](N=C(O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=N)O)cc1"]
["8623215","CCOc1ccc(NC(=O)CS[C@@H](C)C(O)=Nc2c(CC)cccc2CC)cc1"]
["117774606","CCCN1CCC(NC(=NC)NCc2ccc(CN3CCC(C)CC3)cc2)CC1"]
["100827402","COC(=O)c1cnc(O)c(C(CC(=N)O)c2c(F)cccc2Cl)c1O"]
["200103408","C[C@@H]1CC(N)CN(c2ccc(C(F)(F)F)c3ncccc23)C1"]
["3563367","CC(C)N[C@@H]1NN=C(SCC(=O)C2=c3ccccc3=[NH+]C2)S1"]
["61143622","C#CCN1C(=O)CSC1c1c[nH]c2cnc(OCc3ccccc3)cc12"]
["62375109","CCC=C(C(=O)O)c1nc(C)ccc1O"]
["80796675","CCn1nnc2cc(C(O)=[NH+]Cc3ccc(CN4CC(C)CC(C)C4)cc3)ccc21"]
["185688223","COP(=O)(OC)OC(=C(Cl)Cl)c1n[nH]c2c(C)cccc12"]
["115705039","N#C/C(=C/NC1CC1)C(O)=NCCCN1CCCC1=O"]
["57869230","COc1cc(C2/C(=C(\\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(Br)c1O"]
["MCULE-4687493624","COc1ccc(N=C(O)c2cccc(OC)c2C)cc1-c1cccc(CN2CCN(C)CC2)c1"]
["2602625","O=C(Oc1ccccc1)C1(c2ccccc2)CC1"]
["114765351","CCC(C)CN=C(O)c1cc(Br)cc(N)c1C"]
["118155678","CCCC(=O)Nc1ccc(CNC(=NC)NCCCOCC(C)C)cc1"]
["129158453","COC(=O)CN(CC(O)=Nc1cc(Cl)ccc1OC)C(C)C"]
["80417032","CC(C)(C)N(C(=O)CN=C(O)OCc1ccccc1)c1ccccc1"]
["164488367","COc1ccccc1-c1cccc(-c2nc(C(F)(F)F)n[nH]2)n1"]
["20998735","CCN(Cc1ccc(Cl)s1)C[C@H](C)C#N"]
["MCULE-3696864487","Cc1c[nH]cc(-c2cnc(C#N)nc2)c1=NC(=O)c1cccc(N(C)C)c1"]
["MCULE-9626777491","Cc1ncc(-c2ccc(C(=O)N3CCCC(=O)C3)cc2)cn1"]
["131132478","CN=C(O)c1cccc(CCN=C(O)N(C)CC(O)=Nc2cccc(C)c2C)c1"]
["134657739","CC(C)(C)CCCC(O)=Nc1nc(SCCO)n[nH]1"]
["MCULE-2166865900","COc1cc(-c2ccccc2OC(F)(F)F)ccc1N=C(O)c1c(OC)cccc1OC"]
["48959485","CCC(O)=NNCc1ccc(OCc2cccc(F)c2)cc1"]
["99142803","Cc1ccc2oc(N)c(C=C3C(=O)N(c4ccc(Cl)cc4)C(=S)N=C3O)c(=O)c2c1"]
["10380164","C#CCN1CCC(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)CC1"]
["190108827","CC(C)(C)N=C(O)CN=c1nc(-c2cc(F)ccn2)[nH]c2c1CCC2"]
["54806066","CC(C)[C@H](N=C(O)CC(C)(C)CC(=O)O)c1cccs1"]
["22948502","COc1ccc(Cl)cc1N=C(O)c1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1"]
["126964940","CCOC(=O)c1cn(C)[nH]c1=NC(O)=NC1CCc2cc(Cl)ccc21"]
["MCULE-5156066596","CN=C(O)c1cnn(Cc2cccc(F)c2OC)c1"]
["6704329","COc1ccccc1-c1ccc(=O)n(CC(=O)OCc2ccccc2)n1"]
["137286924","Cc1cc(OS(=O)(=O)Cc2cccc(C#N)c2)ccc1Br"]
["76915081","COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1"]
["182980285","CCCCCCCCCCCCOC(CCCCCCCCCCCCCON=[N+]=[N-])CC(C)CN"]
["195089714","COC1CC2CCC(=O)[C@]3(C#C[C@H](CC[C@H](O)C[C@H](C=CC4CCCCC4)C4CCNC(N)C4)C2CC1O)CC[C@H](CC[C@H]1C[C@H]2CCC(=O)C[C@H]2NC12CCCCC2)C[C@H]3O"]
["153093811","CC[C@H](C)[C@H](CO)N=C(O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1"]
["154232676","CCN=C(O)[C@H]1O[C@H](n2cnc3c(N[C@@H]4CC[C@H]5O[C@H]5C4)ncnc32)[C@H](O)[C@@H]1O"]
["108726616","CCCc1onc(C)c1C(=O)N1C[C@H]2CC[C@@H]1C2"]
["MCULE-1835058678","CN1CCN(Cc2cc(=O)c(OCC(O)=Nc3nccs3)cn2CCCCCO)CC1"]
["123852572","CC(C(=O)OCCCN(C)Cc1ccccc1)C1CC1"]
["MCULE-5509932973","CN=C(O)CNC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1"]
["92829614","CN(CC1(N(C)C)CCC1)c1c(F)cc(CCl)cc1F"]
["54832409","CCc1nc2ccccc2c(C(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)c1C"]
["69459657","COc1cc(OC)c([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1Br"]
["153151082","C#CCn1/c(=N\\C(=O)c2cc(=O)c3ccccc3o2)sc2cc3c(cc21)OCCO3"]
["27229225","Cc1ccc(N=C(O)N=C(O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1"]
["155204057","Cc1nccc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12"]
["158352915","COC(=O)[C@@H]1CCCC[C@]1(C)N=C(O)[C@H]1CCCCC(O)=N1"]
["MCULE-6088139952","CCOc1ccc(F)c(-c2cc(F)c(N=C(O)C(C)N(C)C(=O)OC(C)(C)C)cc2C)c1"]
["MCULE-8432374805","CCc1cccc(C)c1N=C(O)CCN1C(=O)c2ccncc2C1=O"]
["28080938","CC(C)C(N=C(O)OC(C)(C)C)C(=O)N=c1nc2nccc(-c3ccccc3)n2[nH]1"]
["95252804","C[C@@H](OCC(=O)Nc1ccc(CC#N)cc1)C(=O)O"]
["114541747","Cc1cc2c(n1-c1cnns1)CC(C)(C)CC2N"]
["141154579","CCCC(N=C(O)CC1CCC(C)C1)C(=O)O"]
["124852187","CCCN(CC#N)C(=O)C1CCN(C(C)=O)C1"]
["17829802","CCCc1nc(N2CCN(C(=O)CC(C)(C)C)CC2)c2c3c(sc2n1)CCCCC3"]
["MCULE-7988930686","Cc1cccc(C2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CCCCCCC2)c1"]
["26080253","CC(C)CCN(C)C(=O)CCCc1ccccc1N=C(O)[C@@H](C)N=C(O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N=C(O)OCc1ccccc1"]
["132021324","Cc1nc2n(n1)CCCC2N=C(O)CCc1ncc(-c2ccc(F)cc2F)o1"]
["53832632","C1CC2CC2C1.O=CO"]
["91749963","CCC(C)(C)C(CCc1ccc2c(c1)CCO2)NC"]
["21396248","CCCC[C@@H](NC(=N)O)C(=O)N1CCN(CCc2cccs2)CC1"]
["89830394","COCCn1c(C)nc2sc(C)c(-c3ccc(Cl)c(C)c3)c2c1=O"]
["200140144","C[C@H]1CC[C@H](c2ccc3sc([C@H]4CCN(C)C(=O)C4)nc3c2)N(C(=O)C(=O)Nc2cncc3c[nH]nc23)C1"]
["112161197","CCc1nn(C)cc1CNC(C)c1ccc(F)cc1Br"]
["21810446","Cc1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2nc(C(O)=[NH+]C3CC3)cs2)cc1"]
["84871651","CCOC(=O)C(F)Sc1nccn1C"]
["MCULE-3146189948","OC(CCC1CCCCC1)=Nc1ncc(-c2cccc(CN3CCOCC3)c2)cn1"]
["141024677","CN(C)CCC(=O)Nc1ccc(NS(C)(=O)=O)cc1"]
["43456906","CC(C)c1ccc(NS(=O)(=O)C2CCCNC2)cc1"]
["98938112","COc1c(CC(C)(CS(=O)(=O)O)N2C(=O)c3ccccc3C2=O)cc(F)cc1-c1c(Cl)cccc1Cl"]
["100593823","Nc1ccc(OCCCCCCO)cc1N"]
["168608211","CC1(C)Cc2ccccc2C(/C(C(=O)N2CCCCCC2)=C(/O)C(O)=NCc2ccccc2)=N1"]
["MCULE-9130083381","Cc1cccc(NCc2cc(=O)c(OCC(O)=Nc3c(Cl)cccc3Cl)cn2CC2CCCO2)c1"]
["103527944","CC1CCC(N(C)C(=O)COC(=O)CN2C(=O)[C@@]3(C[C@H](C)CC(C)(C)C3)N=C2O)CC1"]
["25451635","Cc1nc(N)c2nc(O)n(Cc3ccc([N+](=O)[O-])cc3)c2n1"]
["118575418","C=CCNC(=N)NCCn1c(O)nc2ccccc21"]
["90924626","O=C(CCC(O)=Nc1cccc(C2CCC(O)=NN2)c1)N1CCC(c2ccccc2)=N1"]
["176055306","CCCCC.[B+]=C([O-])OCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(NOC(C)=O)c1"]
["MCULE-3107203146","CSc1ccc(-c2ccc(CNC(=O)c3ccno3)cc2)cc1"]
["MCULE-3434453655","N=C(O)C1C(c2csc(C=O)c2)C1(F)F"]
["140006753","Cc1cc(C)c(N=C(O)N2CC(c3ccccc3)CC2C)c(C)c1"]
["1251778","O=C(/C=C/c1cscn1)N1CCC(C(O)=NCCc2cccs2)CC1"]
["MCULE-7185329236","COc1ccccc1-c1ccc2oc(C(=O)N3CCC(F)C3)cc(=O)c2c1"]
["139732728","O=C(CCC(O)=NCC1CCCCC1O)c1cccs1"]
["102418038","CC[C@H](C(O)=NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O"]
["80536608","COc1ccccc1CN1CCC(c2nnc(-c3cncn3C)o2)C1"]
["181724568","CCCCCCCCCCc1ccc(N=[N+]=[N-])s1"]
["23954422","COc1cc(N=C(O)CN2CCC(c3nc(-c4cccc(C)c4)no3)CC2)cc(OC)c1"]
["48565883","Cc1sc2nc(CNCc3ccc(Cl)cc3)nc(NCc3ccc(Cl)cc3)c2c1C"]
["75353137","CSc1nc2ccc(Br)cc2c(=O)n1C1=C(F)C(F)C(F)C=C1"]
["180337227","CC(C)C1C2CCC3CCC3C(C)C1CC2"]
["12979093","C[C@@H](N=C(O)[C@@H]1CCCN1c1nccs1)c1nc(-c2ccc(F)cc2)no1"]
["130949814","COc1ccc(C(CC(=O)Nc2ccc(OC(C)C)c(C)c2)N=C(C)O)cc1"]
["165964457","CCCN=C(O)C1CCN(C(=O)C(C)(Cc2nc3ccccc3s2)c2ccccc2)CC1"]
["MCULE-7903502523","Cc1nc(F)ccc1-c1cccc(C(O)=NC2CCCN(C(=O)OC(C)(C)C)C2)c1C"]
["161985053","CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4cc5oc6ccccc6c5cc43)c3cccc4c3Oc3ccccc3-c3ccccc3-4)cc21"]
["160288174","Cc1nc(CN2CCC(CN=C(O)c3cc4n(n3)CCCO4)CC2)oc1C"]
["198939051","CN(C)S(C)(=O)=NC(=O)CC(C)(C)C(=O)O"]
["185203982","CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCCN(C)C)C(CCCN(C)C)=C4C)c(C)c3CC"]
["128122175","N=c1ccnc(CN2CCCCC2C(O)=Nc2ccc(Cl)c(Cl)c2)[nH]1"]
["191601487","CCCOc1cc(-c2ccc(C(O)=NS(=O)(=O)C3=CC=NC3)c(N3[C@H](C)CC[C@@H]3C)n2)ccc1Cl"]
["91708815","CC(=O)OCCOC(=O)N(Cc1cc(C(C)C)c2c(c1O)C(=O)C1=C(O)[C@@]3(O)C(=O)C(C(C)=O)=C(O)C(C(C)C)[C@@]3(C)C[C@@]1(C)C2)CC(C)(C)C"]
["82990374","CCOC(=O)CCC(C)C1CCC2C3CC=C4C(C)(C)c5ncncc5CC4(C)C3CCC12C"]
["181808974","C[SiH](c1c(F)c(F)nc(N=[N+]=[N-])c1F)C(C)(C)C"]
["43695113","O=C(CCCCc1nc2ccccc2s1)N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1"]
["53541595","CC(O)=NC(C)c1ccc(-c2csc(NC(=O)c3cccn3Cc3ccccc3)n2)cc1"]
["85742864","CC1CCCC(CN)(N(C)C2CCC(C)(C)CC2)C1"]
["152326867","COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N"]
["113496294","CCn1cncc1CN(CC1CCCN1)C(C)C"]
["135770363","CC1(C)C(O)CC1NCc1c[nH]nc1-c1ccc(F)cc1"]
["188923388","C=CC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@H](C)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CC1CCCCC1)C(=O)O"]
["106077494","CN(C)S(=O)(=O)N[C@H]1CCC[C@H]1CN"]
["8838806","Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NC[C@H]2CCCO2)cc1"]
["125830968","COc1cc(C=CC(O)=NC(CO)c2ccccc2)ccc1OCC#N"]
["51381623","C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@H]1CN(C)S(=O)(=O)c1cn(C)cn1"]
["186512960","C=C/C(=C(C#N)\\C(=C\\C#N)N1c2ccccc2C2C=CC=CC21)n1c2ccccc2c2c3oc4ccccc4c3ccc21"]
["65654334","O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC[C@@H]1CC[C@H](n2cnc3c(O)ncnc32)O1"]
["166238567","CN(CCO)c1c(Cl)cnn(-c2ccccc2)c1=O"]
["171756837","COc1ccc(CN=c2[nH]ccnc2[C@@H](C)N2CCOc3nc(-c4cc(N(Cc5ccc(OC)cc5)Cc5ccc(OC)cc5)c(F)c(C)c4C(F)(F)F)c(F)c4nc(OC[C@@H]5CC(F)(F)CN5C)nc2c34)cc1"]
["187675532","C=C[C@H]1[C@@H](F)C(n2cnc3c(O)nc(=N)[nH]c32)O[C@]1(CCl)COP(=O)(O)OP(=O)(O)OP(=O)(O)O"]
["MCULE-9503286629","CCn1cc(C(=O)N2CCC(CCN(C)C(=O)c3ccccc3C#N)CC2)c(C)n1"]
["22914723","CCN1CCc2c(sc(N=C(O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)c2C(N)=O)C1"]
["16477810","O=C(NCC(O)=NCc1ccccc1)C(O)=Nc1ccc(N2CCN=C2O)cc1"]
["58479230","O=C(O)CCCCCCCN1CC(c2ccccc2)N(Cc2ccccc2)C1=O"]
["170070871","CC(C)N=C(O)O[C@@H]1CC[C@H](c2cc(=NC(=O)C3[C@H]4CN(S(C)(=O)=O)C[C@@H]34)[nH][nH]2)C1"]
["148370630","O=C(O)C1CC(N=C(O)C2(c3ccccc3)CCOCC2)C1"]
["151479101","Cc1cc(C)nc([C@]2(C)CCCN2C(=O)c2cnc(C)nc2C)n1"]
["124107897","Cc1noc(C)c1CC(C)N=C(O)N(CCC(C)C)CCC(C)C"]
["18597407","O=S(=O)(NCC(O)=Nc1ccc2c(c1)OCO2)c1cccs1"]
["183926040","[N-]=[N+]=NOC(c1ccccc1N)S(=O)(=O)O"]
["189154436","C/C=c1/ccc2c(/c1=C/C)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cccc(Cl)c1-3"]
["165045813","CC/C=C(\\C)C(O)=NC(C)c1ccccc1NS(C)(=O)=O"]
["139149110","CSC(C(O)=NCC(O)c1cccc(OC(C)C)c1)c1ccccc1"]
["148611174","C=C(O)/C(=C/C)C(=C)CC(C)c1ccc(C)c(C)c1CC(C)/C(S)=C/C=C\\C"]
["154856688","O=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1noc2c1CCC2"]
["28064403","CC[C@H](N=c1cc[nH]c(=NCCc2ccccc2)[nH]1)c1ccccc1"]
["111822287","CCC(C)(C)CNC(C)CCc1ccc(OC)cc1"]
["156081845","CSc1cccc(-n2c(C)cc(-c3csc(-c4cc([N+](=O)[O-])ccc4N)n3)c2C)c1"]
["189161021","C=CC(=O)N1CC2CN(C)c3c(c4cc(F)c(-c5cc(N)ccc5Cl)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C"]
["21405331","N#CCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1"]
["163183599","COc1ccc2c(c1)SC(=O)C2N"]
["30573879","CC(C)(C)c1ccc(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)cc1"]
["67083149","Cc1nc2c(c(N3CCN(C)CC3)n1)CN(C(=O)c1ccc(Cl)cc1)CC2"]
["MCULE-6904411625","Cn1ccc(C(O)=Nc2ccc(-c3cccs3)c(F)c2)cc1=O"]
["161284759","[2H]C1([2H])OC(=O)N(/N=C\\c2ccccc2[N+](=O)[O-])C1([2H])[2H]"]
["7726577","OC(CCc1ccncc1)=NC1CCN(c2ccccc2)CC1"]
["171782268","CCCC(=O)OC1CCC(CN(C)C)C(O)(c2cccc(OC)c2)C1.Cl"]
["MCULE-5673315628","CN1CC2CC(N(Cc3ccccc3)Cc3ccccc3)CC(C(=O)O)(C1)C2(F)F"]
["10206058","N#C[C@@H]1C(SCC(=N)O)=NC(=O)C[C@@H]1c1ccc(O)cc1"]
["153292640","CC(=O)OC[C@H]1O[C@@H](SC2=N/C(=C\\c3cccs3)C(=O)N2c2cccc(C)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]
["115262011","CCc1nccn1-c1nc(NN)c(F)cc1F"]
["156901792","C[C@H](N=C(O)C(C)(C)C)C(O)=NC1C[C@H]2CCC[C@@H](C1)N2C"]
["174768415","C/C=C\\C(=C/C=C/C)N(c1ccc(C)cc1)c1ccc(/C=C/c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1"]
["6130421","COc1ccccc1[C@H]1CN2C(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21"]
["75044309","Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)Cc3ccccc3)ccc12"]
["109392916","OC(=N[C@H]1C[C@H]2CC[C@H]1O2)N1CC[C@]2(CCOC2)C1"]
["80337960","CCC(C)/C=C(C)/C=C/C1=CC2=CC(=O)C(C)(O)C(OC(C)=O)C2CO1"]
["88088649","NCc1ccc2c(c1)CCN(CCc1ccc(Cl)cc1)C2"]
["MCULE-8239121894","COc1cc(-c2cnc(N=C(O)c3sccc3Oc3ccccc3[N+](=O)[O-])c(C)c2)ccc1C"]
["196443136","COc1ccc(CO[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(C=O)COC(C)(C)O2)cc1"]
["MCULE-7236524535","CCCOc1cccc(-c2ccc(NC(=O)C3CC(=O)N(Cc4ccccn4)C3)c(C#N)c2)c1"]
["159298049","CCc1cc(I)cc(/C=C/C(=O)O)c1OC"]
["49619841","CCc1cc(C(=O)OC)c(N=C(S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)s1"]
["109419825","CCn1ccnc(N2CCC[C@H]([C@@H](C)N)C2)c1=O"]
["121745798","C=CCCCCCN(C)C(=O)C1=NN(c2ccccc2)C(=O)CC1"]
["123876952","Cc1cc(C(=O)Nc2ccc(F)cn2)nn1-c1ccc(F)cc1F"]
["19763032","CC(=O)N1CCN([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3ccc(Br)cc23)CC1"]
["55096468","O=C(O)c1cc2c(nc1N1CCCCCC1)CCCC2"]
["95475524","CNC(c1cc(Br)ccc1F)C1(OC)CCOCC1"]
["99181185","Cc1nc(N2CC=C(c3ccc(F)cc3)[C@@H](O)C2)nc(=O)n1CN1C=CC(C(F)(F)C(F)(F)F)N1"]
["45161643","COC(=O)CCC(N)c1ccc2c(c1)oc(=O)n2C"]
["172519000","CCOc1nc2ccccc2cc1CC(C)C"]
["76489448","CC1CCC2OC3=C(C(=O)C2C1)C1(C(=O)N(Cc2ccccc2Cl)c2ccccc21)N(c1nccs1)C3=O"]
["100224498","CCCC1C(F)=COc2c3c(c4c(c21)OC(C)C=C4)OC(C)=CC3"]
["54630857","CSc1ccc(CSc2nnc(-c3cccc(F)c3)n2N)cc1"]
["125544041","OC(=NNc1ccccc1Cl)c1csc(-c2ccc3c(c2)OCCO3)n1"]
["137183349","CC1CCC(N(C)C(=O)C(c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CC1"]
["101800383","CN(CCC(=O)O)C1CCNCC1.Cl"]
["121273019","CCc1ccc(C(C)(C)C(O)=NCc2nncn2C(C)C)cc1"]
["122568223","O=C(c1cccc(CN2CCCC2)c1)N1CCC(c2ccnn2CCO)CC1"]
["91927494","CC(C)(N)CC(=O)C1CCC1"]
["75454533","O=S(=O)(F)c1ccc(/N=N/c2ccccc2)cc1"]
["MCULE-4747540176","N=C(O)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl"]
["164243883","C=C(C)C(=O)OCC(CO)CC1CCC(C2CCC(c3ccc(-c4ccc(CCCCC)c(CC)c4)cc3)CC2)CC1CC"]
["153274507","CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(-c5ccccc5)cc43)CC1)C(=O)C2"]
["197324818","Cn1c(C2(CN)CCC(F)(F)CC2)cc2ccccc21"]
["185133691","O=C(O)NS(=O)(=O)c1cccc(Cl)c1Cl"]
["106991618","CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3O2)no1"]
["136921021","CC(NCc1cc(Cl)ccc1Cl)c1nc(Cc2ccccc2)no1"]
["173012297","CCC/C=C\\CC1COC(C)CC1c1ccccc1C"]
["91944645","Cn1c(S)nnc1-c1cccc(Cl)c1F"]
["109899926","COCCS(=O)(=O)c1ccc(C(O)=Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1"]
["145153792","CCN1CCN(c2nn(-c3ccc(OC)cc3)nc2C(=O)O)CC1"]
["195267419","CCC1CCC(O)CC1.O=COCc1cccc2ccccc12"]
["MCULE-4659980596","CC(=O)CCC(=O)N1CCc2c(cccc2-c2ccc(C)c([N+](=O)[O-])c2)C1"]
["MCULE-7168511397","COc1ncc(N=C(O)Cc2ccc(F)cc2F)cc1-c1ccncc1F"]
["176326426","C1CNCNC1.C=Nc1nc(-c2cccc(N(C)Cc3cccc4ccccc34)n2)cs1"]
["881963","Cc1ccccc1N=C(O)N=c1[nH]nc(N2CCCCCC2)s1"]
["15414355","O=C(COC(=O)c1ccccc1OCC(O)=Nc1ccccc1F)c1ccc2c(c1)CCC2"]
["61260472","CC(O)=NCCNc1cc(C)c(C#N)c2nc3ccccc3n12"]
["MCULE-4200337614","COc1cc(-c2ccc(F)cc2OC)ccc1N=C(O)C(C)CC(=O)c1ccc(-c2ccc(F)cc2F)cc1"]
["27037644","CCCCC(=O)CCCCN"]
["MCULE-5181010756","COc1ccc(OC)c(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(c3cccc(C(C)=O)c3)C2=O)c1"]
["145782370","C#CCNC(=NC)NCc1nnc2n1CCC2"]
["188976087","c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6-c6ccccc6)n5)c34)n2)cc1"]
["59428073","COc1ccc2c(COC(=O)c3ccccc3OCc3ccc(Cl)cc3Cl)cc(=O)oc2c1"]
["176164906","C[C@@H]1CN(Cc2ncc(Cl)cc2F)[C@@H](C)CN1"]
["105440007","CC[C@H](N=C(O)c1cc(Br)ccc1Cl)c1cccs1"]
["175335838","Cc1ccc(CS(=O)(=O)Oc2nnc(O)c3cc(C4CCC4)oc23)cc1"]
["MCULE-5606468529","COc1ccc(F)cc1-c1c(F)cccc1C(=O)N1CCN(S(C)(=O)=O)CC1"]
["131473041","O=C(OCC(F)(F)F)N1CCCC1C(O)=Nc1cncc(Cl)c1Cl"]
["164978294","COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(I)cc1"]
["10544217","CCOC(=O)N1CCc2nc(N=C(O)COc3ccccc3C)sc2C1"]
["56892929","CCCNc1cccc(C(=O)NCCc2cnc[nH]2)n1"]
["150800576","CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CCN(C(O)=NC3CCCCC3)CC2)C1"]
["125350009","OC(CCCOc1ccccc1)=Nc1cc(C(F)(F)F)ccn1"]
["65338955","Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](C1=CC(O)C(O)C=C1)[C@H](O)C2"]
["67167372","Cc1ccc(CN(C)[C@H](C)C(O)=NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1"]
["165817713","Cc1cc(C)c(C)c(C2C(C)NNC2C(=O)O)c1C"]
["14243568","O=[N+]([O-])c1ccc(NCCCC(O)=NCc2nc(-c3ccccc3)cs2)cc1"]
["120528869","CC1CCn2c(nc(CC3CCNCC3)cc2=O)C1"]
["163086469","N#CCC1(c2cc(CF)ccc2O)CC1"]
["66311934","CN=c1cc(COC)nc(-c2ccc3c(c2)OCCO3)[nH]1"]
["48511710","O=S(=O)(O)c1cc(Nc2cc(Oc3ccc4ccccc4c3)nc(Oc3ccc4ccccc4c3)n2)ccc1/C=C/c1ccc(Nc2cc(Oc3ccc4ccccc4c3)nc(Oc3ccc4ccccc4c3)n2)cc1SOO"]
["110279030","CCCn1c(=O)n(C)c(=O)c2c(SCCN3C(=O)C(C)(C)N=C3O)nc(C(C)C)nc21"]
["75025260","CC(C)(C=O)c1ccccc1C#N"]
["12895179","CCCCN(C(=O)C(=O)[NH2+]CC(C)(C)N1CCN(C)CC1)c1ccccc1"]
["100810265","N=C(O)/C=C/c1c[nH]c2ncnc(OC3CC3)c12"]
["66020744","Cc1ccc(S(=O)(=O)n2cc(-c3ccc(F)cc3)nn2)cc1"]
["112650617","CCC1CC1NCC1(CN)CCC(C)CC1"]
["45997352","NCCS(=O)(=O)Nc1ncc[nH]1"]
["26867462","CC(C)(C)n1cc(-c2ccc(I)cc2)c2c(N)ncnc21"]
["137572334","CCc1ccc(C2=CCN(C(O)=Nc3cc(C(O)=NC)ccc3C)CC2)cc1"]
["135532712","COc1ccc(OC)c(C2CCCN2C(=O)Cc2ccncc2)c1"]
["137605132","Cc1ccc(=NCCCN=C(O)NCc2ccc(C(F)F)cc2)[nH]c1"]
["87279057","C=CCC(NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)O"]
["141101298","CCCCN(CC(=N)O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]
["100487187","CCCOC(=O)C(CC(C)C)N=C(O)C(C)N=C(O)OCCC"]
["159738939","CC(CC(=O)N1CCC2(CC1)N=C(O)N(C)C2=O)N=C(O)C1CCCC1"]
["28138203","CCc1ccc(OCc2ccc(C(=O)NS(C)(=O)=O)cc2)cc1"]
["59687920","C[C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CC[NH+](Cc4ccccc4)CC3)CC2)C1"]
["MCULE-1645451451","CC(=O)c1ccc(-c2ccc(N=C(O)c3ccc(N4CCOCC4)nn3)c(C#N)c2)cc1"]
["148994550","CC(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3)cc1"]
["28179125","CCOc1ccccc1N(CCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)O"]
["145417513","NS(=O)(=O)c1nccc(C(F)F)c1O"]
["87177943","CN(Cc1nncn1C)C1CCCNC1"]
["168361652","Cc1cc(C)c(-c2nnc(S)n2C(C)C)c(O)n1"]
["MCULE-6594817122","COCc1ccc(-c2ccc(C)cc2C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1"]
["MCULE-7087727427","COc1ccccc1CCC(O)=Nc1cc(-c2cccc(CN3CCN(C)CC3)c2)ccc1C"]
["82139748","CCOC(=O)c1csc(SCCC2C(C=CCC(C)(O)CC3CCCCC3)CCC2OC(C)=O)n1"]
["MCULE-8592204797","CC(C)CCOc1cn(CCN(C)C)c(CSCc2nc3ccccc3[nH]2)cc1=O"]
["120822313","Cc1ccc(Br)cc1C1(CC2CCNCC2)COC1"]
["80507488","Fc1ccc([NH2+]C(S)=NC2CC3CCCC(C2)N3C2CC2)cc1"]
["74477729","Cc1ccc(C(N)(C=O)c2ccc(OC(C)C)cc2)cc1Cl"]
["140108409","COc1cccc2c1CCN(C(=O)[C@H](O)c1ccccc1)C2"]
["20588072","O=C(Nc1ccccc1)c1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1"]
["MCULE-5098789374","CCCCC(C(O)=Nc1ccccc1C(C)C)N(CCO)S(=O)(=O)c1ccc(OC)cc1OC"]
["14492676","C[C@H]1C[C@H](C)CN(CCCC[NH2+]S(=O)(=O)c2c(Cl)cccc2Cl)C1"]
["MCULE-7477839203","COc1ccc(CC(O)=NCCCSC)cc1-c1ccc(C(F)(F)F)cc1"]
["MCULE-3745100822","CC1CCCCC1C(O)=NCCC1(c2ccccc2)CCCCC1"]
["53172614","CNCc1c(C)nn(C)c1Sc1cccc(OC)c1"]
["MCULE-4617123466","CCCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CNc1ccc(OC)cc1C"]
["MCULE-7836135117","Cc1cccc(N=C(O)c2ccc(F)cc2F)c1-c1cnc(N2CCOCC2)nc1"]
["61095373","CCC(C)Oc1c(CC(N=C(O)OC(C)(C)C)C(=O)O)cccc1OC"]
["21966767","COc1ccc([C@@H](C)[NH2+][C@@H](C)C(O)=Nc2cc(C)ccc2C)cc1F"]
["MCULE-7423436592","COc1ccc(N=C(O)CN=C(O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1Cl"]
["19073884","CCOC(=O)CSC1=NC(O)=C[C@@H](c2cccc(OC)c2)[C@@H]1C#N"]
["12517316","Cc1ccc(Cl)cc1-n1c(CN=C(O)NC2CCCCC2)nnc1SCc1ccc(F)cc1"]
["81179683","CC(C)CC1CC(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)NN1"]
["160536953","CN(C(=O)c1ccnc(C2CC2)c1)[C@H]1CCO[C@@H]1c1cccnc1"]
["MCULE-4641802173","O=C(OCC1c2ccccc2-c2ccccc21)N1CCCC(C(=O)N2CCc3cc(-c4cnn(C5CCCCO5)c4)cnc32)C1"]
["4078986","COc1ccc([C@@H](C)N=C(O)COc2ccc([N+](=O)[O-])c(F)c2)cc1OC"]
["154654257","CC(C)(C)C(O)=Nc1cncc(-c2ccc3c(n2)/C(=C2\\C=c4c(-c5cccc(F)c5)cncc4=N2)NN3)c1"]
["198146320","CC1(O)C=C(c2ccccc2)CC(C)(O)C1"]
["9188230","COC[C@@H](C)N=C(O)[C@@H]1CCCc2ccccc21"]
["130467998","Cl.N=C(O)CCn1ccc(=NC(=O)c2cccc3c2CCCN3)[nH]1"]
["172601060","CCC(S)CCCC(S)CCC(S)CCCC(S)CC(O)O"]
["42630045","COc1cccc(CN(Cc2ccccc2)C2CCN(C(=O)C3CC3)[C@@H](C(O)=NCCN)C2)c1"]
["12297109","COc1ccc(C(=O)NCCCC(O)=Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1"]
["56677840","OC(=NNC(S)=NC1CC1)c1ccc(COc2ccccc2-c2ccccc2)cc1"]
["MCULE-1656774139","CN1CCN(c2cccc(N=C(O)c3cn4nc(Cl)ccc4n3)c2)CC1"]
["138312726","COc1cc(CNC(O)=NCCC2CCCCO2)c2ccccc2n1"]
["MCULE-2036364337","CCCOC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(F)cc1F"]
["175462167","CC(=O)OCCc1ccc(OC(C)=O)s1"]
["26089832","CCCCCCC[C@H]1CC[C@H](CCCOc2ccc(-c3ccc(CCCC)cn3)cc2)CC1"]
["21698852","COc1cc(CNCc2nnc3ccccn23)cc2c1OCO2"]
["68355687","COC(=O)C(Cc1nc[nH]c1I)N=C(O)C(F)(F)F"]
["MCULE-4876474608","COc1ccc(NC2=C(c3ccccc3Br)C(=O)N(Cc3ccccc3OC)C2=O)c([N+](=O)[O-])c1"]
["90619193","C(=NC(=Cc1ccccc1)c1ccccc1)c1ccccc1"]
["124898589","CC(OC(=O)c1ncccc1OCC(F)(F)F)c1cccc(F)c1"]
["193270888","CC(=O)ON.CN.CN"]
["15350174","CCN(CC)c1ccc(C(O)=Nc2ccccc2C(O)=NCc2ccco2)cn1"]
["46216504","CC(C)(C)N=C(O)CN=C(O)CCCc1nc(O)c2ccccc2n1"]
["22900970","CCC(=O)N(CCC1(C(C)C)CCOC(C)(C)C1)Cc1ccc(OC)cc1"]
["129188796","Cc1ccc(C(C)C)c(OC(=O)C(C)Cc2c(C)nn(C)c2C)c1"]
["146176591","Cc1nn(CCC(O)=NCC(C)(C)N)c(C)c1[N+](=O)[O-]"]
["6039234","Cc1ccc(CNc2oc(-c3ccccc3)nc2C#N)cc1"]
["83063481","CC(O)=NC(CC(C)C)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=NC(C)C(O)=NC(CO)C(O)=NC(CC(C)C)C(O)=NCC(=O)O"]
["5494365","CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)cc1"]
["155253316","O=[N+]([O-])c1cc(-c2nc3c(Br)ccnc3[nH]2)ccc1Sc1nc2ccccc2s1"]
["MCULE-9584540889","COc1ncc(-c2cn[nH]c2)cc1C(=O)Nc1ccccc1C#N"]
["6876534","COc1cc(/C=C/C(=O)Nc2ccc(N=C(C)O)cc2)ccc1OCc1c(C)noc1C"]
["20682692","CC(C)[C@@H]1CN(Cc2csc[nH+]2)CCC(=O)N1Cc1ccc(F)cc1"]
["171604735","N[C@H]([C@H](C(=O)Oc1ccccc1)C1CCCC1)C(F)(F)F"]
["149034306","CN(CC(=O)O)c1ncc(CN(C)C(C2CC2)C2CC2)cn1"]
["100416176","COc1ccc(C2OCC3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@H]6[C@@H]7C[C@@H]8O[C@]9(CC[C@@H](C)CO9)[C@@H](C)[C@@H]8[C@@]7(C)CC[C@@H]65)C4)C(O)C(O)[C@@H]3O2)cc1"]
["194255896","N=C(O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3)Cc2cc(F)cc(F)c2)ccc1F"]
["174266291","C=C(O)OCCCC.CCOCC"]
["122872422","O=[N+]([O-])c1ccc(OCC(O)C(F)(F)F)c(-n2cnnn2)c1"]
["83535127","CC1CCC2=C(C1)SC1=NC(c3ccco3)=NC(=O)C12"]
["75662168","C[C@H]1[C@H](N=C(O)/C(=N\\OC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1C(O)=NS(C)(=O)=O"]
["141396672","COc1cc(F)cc2sc(N=C(O)CCn3ccnc3C(C)C)nc12"]
["174109562","COC(=O)c1ccc2c(c1)N(C[C@@H](C)O)C(C)C(C(=O)N=CO)C2"]
["6677041","COc1ccc(C(O)=[NH+]CCCN(C)C(C)C)cc1OC"]
["MCULE-9789198929","CCCN(CCC)C(=O)COc1cccc2c1C(=O)N(C(C)C)C2=O"]
["185745268","COC(=O)C(Cc1ccc(Oc2ccc(CC3CNCS3)cc2)cc1)N=C(O)CN"]
["80063876","CC(N=C(O)CC1NN=C(O)C2CCCCC12)c1ccccc1F"]
["128363633","COC(=O)CCN=C(O)CN(Cc1cccs1)c1ccc(F)cc1"]
["143161420","COCCn1ccc(=NC(O)=NCC2CCN(CC(C)C)C2)[nH]1"]
["139333745","Cc1cccc(C(C)CNC(=O)c2nc(=O)c3ccccc3[nH]2)c1"]
["125093242","CC1CCCCN1C(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1"]
["177016403","CCOc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1.O=C(O)C(=O)O"]
["11875790","COCCOCCCC(O)=NC[C@H]1CCCCN1C(=O)OC(C)(C)C"]
["22873844","CO[Si](CCC[N+](C)(C)C)(OC)OC.[Cl-]"]
["45726244","C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)C2c2ccc(OCC)cc2)nc1C"]
["50979866","O=S(=O)(NCC1CCCNC1)c1ccccc1"]
["113996810","Cc1c(Cl)cccc1C(NN)c1sccc1Br"]
["134606281","Cc1cccc(C=O)c1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1"]
["183634724","CCCCCCC[Si](CCCCCCC)(CCCCCCC)OCCCC(=O)CCC"]
["28806963","COC(=O)CCC[C@@H](C)CCCN1C(=O)CCC[C@@H]1/C=C/C(O)Cc1ccccc1"]
["99814614","O=C(O)/C=C/C/C=C/CC1C(O)CC(O)[C@@H]1C=C[C@@H](O)COc1cccc(Cl)c1"]
["105072820","Cc1ccc(OCCC(=O)[C@@H]2CCCN2)cc1C"]
["198833770","Cn1cnc2c(N[C@@H]3[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]43)ncnc21"]
["26212695","CCCCCCCCN1CCC[C@@H]1CN=C(O)c1cc(SC)cc2c1OCCN2C"]
["17919593","COCCn1cc(N=C(O)[C@@H]2CCOC2)cn1"]
["5350653","Cc1ccccc1N1CCN(Cc2[nH+]c(-c3ccc(Cl)cc3)no2)CC1"]
["60440085","Cc1oc2ncnc(O)c2c1C(O)=NCC(C)C(=O)O"]
["8397916","CCCCCCn1c(S[C@H](C)C(O)=NC2(C#N)CCCCC2)nc2ccccc2c1=O"]
["26630310","CCOC(=O)C(CC=CCN1C(=O)c2ccccc2C1=O)(N=C(C)O)C(=O)OCC"]
["9027039","CN(C(=O)[C@@H]1CSCN1C(=O)Cc1csc(-c2cnccn2)n1)C1CC1"]
["2640039","CC(C)N=C(O)c1ccccc1NC(=O)c1cccn(Cc2ccccc2)c1=O"]
["110312840","CNS(=O)(=O)c1cccc(N=C(O)COc2ccc(I)cc2)c1"]
["MCULE-3560307128","COc1ccc(Nc2cc(N(CCN3CCN(C)CC3)c3ccccc3Cl)nc(-c3ccccc3C)n2)c(C)c1"]
["176455428","OC(=NC[C@H](O)CN(O)c1cc(F)c(N2CC3(CSC3)C2)c(F)c1)C1CC1"]
["84899594","CCN(CC(C)(C)O)C(=O)c1ccnc(NN)c1"]
["28047727","NC(CCc1cc(O)c(C(c2cccc(NS(=O)(=O)c3nc4ccccc4[nH]3)c2)C2CC2)c(=O)o1)C(=O)N1CCNCC1"]
["4148704","COc1ccc(CN2CCn3c(CO)nnc3C2)cc1OCc1ccccc1F"]
["100900398","CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(=O)O)NC[C@H](CCS)N=C(O)OC(C)(C)C"]
["151187804","CCCc1ncc(C(=O)N2CC[C@@H](C(=O)O)C2)s1"]
["14089950","C[C@@H](CC(O)=Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)C1CC1"]
["133243479","Cc1nn(-c2ccccc2)cc1CN=C(O)CC1CCC(C)C1"]
["MCULE-1177703308","COCCCN1CCN(C(=O)CCc2cc(-c3ccccc3)ccc2OC)CC1"]
["53303156","Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC(C(=O)[O-])C(C)C)c1"]
["64512306","O=C(Cc1csc(N2CCCC2=O)[nH+]1)N1CCN(Cc2ccccc2)CC1"]
["77682025","COC(=O)c1ccc(-c2ccc(C=CC(=O)[O-])o2)cc1"]
["65000307","O=[N+]([O-])C=C1NCCN1Cc1cnc(Br)s1"]
["187341744","Cc1ccccc1CN=C(O)[C@H]1CC[C@@H](NC(=O)c2cc(C)n(C)n2)[C@H](O)C1"]
["114758170","CCc1nn(CC)c(CNC(CC)(CO)CO)c1Cl"]
["67500196","CCCN(C)S(=O)(=O)c1n[nH]cc1CNCC"]
["MCULE-8977665324","O=C1C(O)=C(c2ccc(Br)cc2)C(=O)N1c1cccc(F)c1"]
["21913798","CN1CCN(c2ccccc2N=C(O)N2CCCCC[C@@H]2c2cc[nH+]cc2)CC1"]
["75732957","CC(=O)O[C@@H]1[C@@H](C)C[C@@H](c2ccncc2N)O[C@H]1C1CC1"]
["MCULE-2078922825","CCOc1ccc(N(C(=O)Cc2ccc(Br)s2)C(C)C2CC2)cc1"]
["157338633","Cc1cc(C)c(CN=C(O)[C@@H]2C[C@@H]2C(=O)O)c(O)n1"]
["184357879","C=N/N=C/c1sc(C)nc1C"]
["MCULE-5212551522","Cc1cccc(-c2c(C(C)(C)C)nn3c(Cl)c4c(nc23)CCC4)n1"]
["59006622","COc1c(N2CCCC(=C(F)CN=C(O)[C@H](CCCCN=C(O)OC(C)(C)C)N=C(O)OC(C)(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"]
["MCULE-1765225202","Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)nc(C(C)(C)C)n2)c1"]
["45608016","O=C(O)CCCCCN=C(O)C1CCCCO1"]
["149043357","CC(C)(C)OC(=O)N1CCC(c2cc(=O)nc3c4c(NC(=O)c5ccco5)cccc4[nH]n23)CC1"]
["MCULE-1398694711","CCCOc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1"]
["131267489","Cc1cc(S(C)(=O)=O)ccc1NC(=O)CCC1CCCC1"]
["156237291","O=c1ccn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccn(Cc3ccc(Cl)cc3)c(=O)c12"]
["121088063","COc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1F"]
["31768685","CC1=CC(=O)[C@H](CCC(O)c2cc3ccccc3s2)[C@H]1CCCCCCC(=O)O"]
["MCULE-7675676981","Cc1nc(C2CCN(C(=O)c3cccc(N4CCC(O)=NC4=O)c3)CC2)ncc1C(=N)O"]
["MCULE-3307329931","COc1ccnc(NC(=O)c2ccc(C)cc2-c2ccc(C)cc2)c1"]
["MCULE-3865034470","Cc1cc(C2=C(Nc3ccc(Br)cc3C(C)C)C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1F"]
["MCULE-4226704483","COc1ccc(CC(O)=Nc2cccc3c(OC(=O)COc4c(C)cccc4C)cccc23)cc1"]
["4788965","NC(=O)c1cc(Cc2ccccc2)sc1N=C(O)Cc1c(F)cccc1Cl"]
["139531413","CCCCN=C(O)Cc1noc(C=Cc2c(Cl)nc3sccn23)n1"]
["55352718","CCCNCc1c(C)nn(C)c1N(CC)CCO"]
["188893222","CCN=c1nc(CC2CC2)o[nH]1"]
["152737571","C=CCOc1c(I)cc(/C=C2\\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)cc1OC"]
["144996879","COc1cc(C(C)C)c(Cl)c(C(=O)CN)c1OC"]
["5127681","C/C=C\\[C@H](C(O)=NC1CCCCC1)N(C(=O)C#Cc1ccccc1)C(C)(C)C"]
["194052238","CC(C)CN.COC(=O)C(C)CO"]
["159540340","CN(C)CCCN=C(O)N1CCC(N=C(O)CN2C(=O)c3ccccc3C2=O)CC1"]
["46087137","C[C@H](CO)N1C(=O)[C@@H]2[C@@H](C(O)=Nc3ccccc3)[C@@H]3OC2(CC3Br)C1C(O)=NCCN1CCOCC1"]
["115732624","Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(O)=Nc3cccc4c(O)cccc34)CC2)cc1"]
["2570750","CN(CC(O)=NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1"]
["68732885","Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(C)N1CCC(C(=O)N2CCCC2C(O)=Nc2cccc(C(O)=Nc3ccccc3)c2C)CC1"]
["164418406","COc1ccc(N2CCN(C(=O)C3CCCCC3C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)cc1"]
["MCULE-3135103509","Cc1ccc(-c2ccncc2N=C(O)C(c2ccccc2)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-]"]
["MCULE-1691503778","COc1cc(N=C(O)CCc2ccc(-c3cc4ccccc4o3)cc2)nc(OC)n1"]
["175226422","C=C1CC(C)CC(N)(CCN=C(O)c2ccc(O)c3nc(-c4cccs4)[nH]c23)C1"]
["50865788","C#CC1CNCCN1C(C)CC"]
["51140648","CCCC(COC)NS(=O)(=O)c1cccc(Br)c1"]
["158731282","N#C[C@@H]1N(C(=O)c2ccc(Cl)cc2Br)CCC[C@]12CCCCO2"]
["53101462","Cc1ccccc1Oc1ccc(S(N)(=O)=O)c(C)c1"]
["18037592","CCC(=O)N1CCc2ccc(NC(O)=NC(C)C)cc2C1"]
["46375516","CCOC(=O)Cn1ccnc1-c1cccc(C#N)c1"]
["90582642","C=CCCC(N=C(O)OCc1ccccc1)c1ccccc1"]
["172486014","O=C(O)CN(CCN(C(C(=O)O)c1ccccc1)C(O)(O)C(=O)O)CC(=O)O"]
["70552343","CC(CCC(O)=NCCCCCC(O)=NCCCCCC(=O)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O"]
["184641041","CCNC1CC(C)NC(NC(O)=NC2CCC(C3CCCCC3)CC2)N1"]
["143639470","O=S(=O)(c1ccc(Br)s1)N1CCn2c1nc1ccccc12"]
["148363616","Cc1cc(C(=O)O)cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1"]
["156110944","N#Cc1nc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2nc1C#N"]
["MCULE-4067983434","COc1c(F)cccc1-c1c(NC(=O)Cc2cc(C)no2)ccc2nccnc12"]
["164505772","CCOC(=O)c1c(-c2ccc(C)cc2)cc2c(c1C(=O)OCC)C(=O)CC(C)(C)C2"]
["186022536","COC(=O)c1ocnc1-c1ccc(Br)cn1"]
["MCULE-2853383237","COc1ncc(-c2ccc(OC3CCCCO3)cc2)cc1N=C(O)C1CN(Cc2ccccc2)CCO1"]
["81639899","CC(C)CC(CN1CCC(C2=CCC(Cl)C=C2)C(C)(C)C1)NCC1CCCC1"]
["159941435","OC(=NC1CCCN(c2ccccc2)C1)NC1CCOC1C1CC1"]
["67027565","C=CCc1ccc(C=O)c(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C"]
["MCULE-6904707723","Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)ncc1-c1cccc(C(=N)O)c1"]
["193452572","CCC(O)=NCC1Cc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2C1.CCCNCC1Cc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2C1"]
["MCULE-1559536551","CS(=O)(=O)Nc1ccc(C(=O)NC(C(O)=NCc2ccco2)c2ccccc2)cc1"]
["159420862","CCCOc1ncc(C)cn1.N"]
["MCULE-7098691633","CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(O)=NCCN=C(C)O)C2c1cccc(O)c1"]
["14822935","COc1ccc(-c2nc(=Nc3ccc(Cl)cc3)c3ccccc3[nH]2)cc1"]
["MCULE-7194180600","O=C(CS(=O)CC(=O)c1cc2ccccc2o1)c1ccc(F)cc1"]
["12228494","CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(C)s2)C(C)C)cc1"]
["254319","CC(=O)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)/C(C)=C\\[C@@H]2OC(=O)[C@@](C)(O)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@](C)(O)[C@H](O)C=C[C@]12C"]
["96144626","C#CCC(CC)NCc1ccc([N+](=O)[O-])cc1Br"]
["177582004","CC/C=C\\C1=C(C)/C(=C(\\C)Nc2c(F)cccc2F)C(N)CC\\C=C1\\NC1CCc2ccccc21"]
["175700955","NC12CC(c3nnc(C4(OC(F)(F)F)CCC4)o3)(C1)C2"]
["MCULE-6891882751","CCN(CC)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1"]
["136505917","CN(Cc1nccn1C(F)F)C(=O)CCCOc1ccc(Cl)cc1Cl"]
["MCULE-9932229170","O=C(O)c1cc(I)ccc1N=C(O)c1c(F)c(F)c(F)c(F)c1F"]
["MCULE-7791882425","Cc1nc(Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4C3C2)n1"]
["109612181","CCO[C@@H]1C[C@@H](NC(O)=N[C@H](C)Cc2c(C)nn(C)c2C)C1(C)C"]
["105568773","CCCc1ccc([C@H](O)CN=C(O)COc2ccccc2)cc1"]
["60067003","O=[N+]([O-])c1ccc2oc(-c3ccccc3N=C(O)c3ccccc3CCc3ccccc3)nc2c1"]
["50355158","COc1ccc(N(C(=O)N(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl"]
["MCULE-7975380608","COc1cccc(-c2ccccc2CCC(O)=NCCN2CCC(Cc3ccccc3)CC2)c1F"]
["197705346","c1ccc(-c2nc(-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)C5CC6CC(C5)CC4C6)c4ccccc34)n2)cc1"]
["MCULE-3680008435","C=CCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2cccc3ccccc23)C1=O"]
["31066181","Cc1cc(C)cc(C(O)=Nc2ccc(C(=O)C3CC=CC4=CNC=C5CSCCN5C43)c(Cl)c2)c1"]
["MCULE-2658706009","CCCSCCOC(=O)c1ccc2nc(Cl)sc2c1"]
["16138770","C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CNc1ccccc1[N+](=O)[O-]"]
["173427652","CC=O.CCC1=C=CC=C(C#Cc2cc([N+](=O)[O-])c(C#Cc3cc([N+](=O)[O-])c(C#Cc4ccccc4)cc3[N+](=O)[O-])cc2[N+](=O)[O-])C=C1"]
["31637715","CN(C)CCN(c1cccc(NC(=C2C(O)=Nc3ccccc32)c2ccccc2)c1)S(C)(=O)=O"]
["187289683","CC1(C)c2ccccc2-c2c(N(c3cc(-n4c5ccccc5c5ccccc54)c4cccc(-c5ccccc5)c4c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21"]
["144825810","Cc1ccc(-n2c(O)nc3cccc(O)c3c2=O)s1"]
["70503347","BrCc1ccccc1C1CC(c2ccccc2)NN1"]
["145064741","COc1ccc2ccc(OC)c(C3(C(=O)O)CCCCC3)c2c1"]
["42443675","COc1ccc(CC(=O)[C@H](CCCCN=C(O)OCc2ccccc2)N=C(O)c2cc(CC(=O)[C@@H](C)CCCCN=C(O)OCc3ccccc3)ccc2OC)cc1C(=N)O"]
["90595472","C=CCC(N=C(O)C(CC(C)C)N=C(O)C(N=C(O)OC(C)(C)C)C(C)C)C(=O)OC"]
["2462593","COc1ccc(CC[C@H](C)N=C(O)COc2ccc([N+](=O)[O-])c(F)c2)cc1"]
["13229496","COC(=O)CCCCCCN=C(O)Cn1ccc2cc([N+](=O)[O-])ccc21"]
["187469878","CC1=NN(C)C(=O)C1(C)C(=O)C(=O)Oc1ccccc1"]
["148318023","O=C(O)CCC1CCCCN1C(=O)CN=C(O)c1ccccc1OC(F)F"]
["63135044","C1=C[CH+]C(=[O+]CC2CC[N-]CC2)C=C1"]
["MCULE-3357029385","CCCC(N=C(O)Cc1csc(COc2ccccc2)n1)C(O)=Nc1ccc(Cl)cc1Cl"]
["195073106","COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O"]
["64906291","Cc1ccc(Cl)cc1N=C(O)[C@@H](C)OC(=O)c1c(C)nn(CC(C)C)c1Cl"]
["122628263","CCCC1CN(C(=O)N=c2[nH]nc(C)s2)CCN1CCOC"]
["147355584","CC(C)C[C@H](Nc1nc2ccccc2[nH]1)C(=O)O"]
["177620313","COc1ccnc(C(C)=O)c1OCOC(=O)c1ccccc1"]
["858543","COc1cccc(N=C(O)C2=C(C)C(=O)OC23CCN(C(C)=O)CC3)c1"]
["33002188","C/C=C(\\CSC/C(=C\\C)C(=O)OC)C(=O)OC"]
["91941263","O=S1CCC(Nc2snc3ccccc23)CC1"]
["92788947","Oc1nc(O)c2nc(CCOC3CCNCC3)[nH]c2n1"]
["5357485","Cc1ccc(N=C(O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c(C)c1"]
["188954","COc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2)cc1"]
["19498496","COCCn1c(C)c(C)n(CN(C)CCc2ccccc2F)c1=S"]
["173977440","Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1C)c1cc4c(cc1B3c1ccc(C(CCc3ccccc3)c3ccccc3)cc1N2c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(C)(C)CC4(C)C"]
["169678850","CN1CCN(c2cc(C(O)=Nc3cc4nc(-c5cncc(N(C)C)c5)ccc4cn3)ccn2)CC1"]
["SN0448930-02","CCCCCC(/C=C/C1C(OC(C)=O)CC(O)C1/C=C/CCCCC(=O)OC)OC(C)=O"]
["8840130","CC(C)[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)N(C)C"]
["55766324","COc1ccccc1C(O)=Nc1ccc(F)c(N=C(O)CCN=C(O)C2CCN(C(C)C(O)=Nc3cc(C(O)=NCc4ccc(F)cc4)ccc3C)CC2)c1"]
["95123499","O=C(N=c1ccc(Cl)n[nH]1)C1CNCCO1"]
["2088008","CCOc1ccc(CCN=C(O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1OCC"]
["75767917","Cc1cc(N)ccc1/N=N/c1cc(C)c(N)c(Cl)c1"]
["46706074","CC(C)NS(=O)(=O)C1=CC(=NNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c2c(NS(=O)(=O)c3cccc(S(=O)(=O)O)c3)cccc2C1=O"]
["121977598","CCC(CC)(CN)N=C(O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl"]
["191036395","CC(C)c1ccc(F)cc1.CC(C)c1ccccc1F.CCOC(=O)C1CCC(C(C)C)CC1"]
["173499280","CC.CC1CCOC1.S"]
["90691163","CC(C)C(N=C(O)OCc1ccccc1)C(O)=NC(Cc1ccccc1)C(O)CC(O)=NC(CC1CCCCC1)C(O)=NCC1CCCO1"]
["147922958","COC(=O)c1cn([C@H]2C3CCCC2C2=C(CCCC2)C3)cc2c(O)nnc1-2"]
["56154746","CC(c1cc(-c2ccccc2)no1)N1CCOCC1.Cl"]
["93996708","CC1(CNCc2ncccc2N)CCCC1"]
["119381778","Cc1nn(Cc2ccccc2)c2sc(C(=O)NC3(C#N)CCCCC3)cc12"]
["77543284","CCOC(=O)C1=C(CSC2=NNC(=C3C=Nc4ccccc43)O2)NC(O)=NC1CC"]
["119352553","CNC(c1c[nH]c2ccccc12)c1cncn1C"]
["101299387","O=c1c2c3ccccc3n(Cc3ccccc3)c2c2ccccc2n1OCc1ccccc1"]
["21347591","CC(C)c1n[nH+]c(CN2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)o1"]
["65272805","CCCOc1cccc(C2C(C(O)=Nc3ccccc3OC)=C(C)N=C3N=C(SCc4ccccc4)NN32)c1"]
["27125813","O=C(O)C(On1cccn1)c1cccnc1"]
["252850","Nc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1"]
["67702105","CCCCCCCCC(=O)N(CCCC)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1"]
["104373180","OC(CO/N=C\\c1ccc(OC(F)F)cc1)=Nc1cc(C(F)(F)F)ccc1N1CCOCC1"]
["175285286","COc1cc(OC)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1)=C(OCCCCN1CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC1)C2C=O"]
["98607806","CC(C)(C)[Si](C)(C)n1cc(Br)c2nc(F)nc(OCc3ccccc3)c21"]
["MCULE-3796636987","CCOc1ccc(C=Nn2c(CCc3ccccc3OC)nnc2SCc2cccc(C)c2)cc1OCC"]
["116755572","CN=C(NCc1ccccc1OCC(F)(F)F)NC1CCN(C(=O)C2CCCC2)C1"]
["168696526","N=C(N)n1nc(-c2ccccn2)c2c1NCCCC2"]
["43860698","Cc1ccsc1/C=C(\\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O"]
["MCULE-1934346540","CCOc1ccc(-c2ccc3oc(=O)c(C(=O)NCC4CCN(C)CC4)cc3c2)c(F)c1"]
["100359172","CCO[C@@H]1[C@H](C)C[C@H](c2ccncc2N)C[C@@H]1C"]
["135582654","CCOC(=O)CN=C(O)C1CCN(c2nc3cc(F)ccc3o2)CC1"]
["190914846","NC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3.O=c1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c(O)[nH]1"]
["91880214","CC1(C)C(CN=C(O)C2CCCC2C(=O)O)C1(C)C"]
["MCULE-2363853077","COc1cc(OC)cc(-c2ccccc2CCC(=O)N2CC(=O)C2)c1"]
["93828587","CCC(C)(OC)c1nccc(CC(C)N)n1"]
["MCULE-3441656342","COc1ccc(F)cc1-c1cnc(N=C(O)C2CCC(C)CC2)cn1"]
["197384620","NCC1CC1c1ccc(F)c(Cl)c1F"]
["MCULE-1235090304","CCOC(=O)N1CCN(C(=O)C2CCCN2C(=O)Cc2ccc(Cl)cc2)CC1"]
["175339766","CC(C)(C)CC(C)(CI)C(=O)Oc1ccc(OC(C)(C)C)cc1"]
["81978748","CC1(CN=C(O)CCc2ccc(Cl)cc2)COC1"]
["131892669","Cc1nccn1CCCCN=C(O)N(C)Cc1ccc(-c2ccccc2)cc1"]
["MCULE-6992233181","CCOc1ccc(F)c(-c2cc(N=C(O)c3c(C)cccc3F)c(=O)n(C)c2)c1"]
["MCULE-7135417542","CCOc1ccc(-c2c(N=C(O)c3ccncc3)ccc3nccnc23)c(C)c1"]
["163910192","CCCOP(OC)OCCN(C)C"]
["184094630","[N-]=[N+]=NC1=CNC2=NC=CN=CC2=C1"]
["126674460","CC(C)CCS(=O)(=O)NC(C)c1ccncc1"]
["MCULE-9042791900","COc1ccc(C(=O)Nc2cc(C)c(-c3cccc(F)c3C)c(C)c2)cc1F"]
["140108053","CC(C)COC(=O)CN1CCN2C(O)=NCC2C1"]
["110046518","C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1"]
["181663824","CC1(c2ccccc2O)CC2C=CC1C2"]
["2670575","CC[C@@H](C(O)=Nc1ccccc1-c1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O"]
["56765600","CN(CC(O)=NC1CC1)C(=O)N1CCNCC1"]
["144750989","Cc1ccc2cc(COc3ccccc3C(F)(F)F)n(C)c2c1"]
["19534830","O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC[C@H](CN2CCOCC2)C1"]
["2903880","CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C"]
["104202540","CN(C(=O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C1O)[C@@H]1CCCc2ccccc21"]
["184335738","Cc1cccc(F)c1C(=O)N1CCC[C@H](C(O)=Nc2cccc(C(C)(C)C)c2)[C@@H]1c1c#cc(CCCN(CCF)CCCF)cc1"]
["MCULE-6729039076","CC(=O)OCCOC(=O)C1CCN(C)CC1"]
["95466704","Cc1c(N)cc(Cl)cc1S(=O)(=O)N1CCn2ccnc2C1"]
["127316176","OC(=NN=C(O)c1cccc2ccccc12)c1c(F)cccc1Cl"]
["103305063","C=C(C(=O)OCC)[C@@H](O)c1cnn(-c2ccccc2)n1"]
["57627412","C=CCn1c(=NC(=O)CS(=O)(=O)CC(=O)N2CCC(C)CC2)sc2cc(Br)ccc21"]
["119459020","Cc1nc(Nc2cccc(Cl)c2Cl)cc(C(O)=Nc2ccccc2C#N)n1"]
["165791051","CN/N=C(/C)c1c(F)cccc1F"]
["176420303","CCN(CC)CC#CCN1C(=O)C(Cl)=C(N2CCOCC2)C1=O"]
["157567730","C=CCC1(C(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)CCC1"]
["167286757","COC1O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1O"]
["91051384","O=C1C=CC(=NNc2cccc3ccccc23)C=C1C1=CC(=NNc2cccc3ccccc23)C=CC1=O"]
["MCULE-7923371015","Cc1cc(-c2ccccc2[N+](=O)[O-])ccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1C"]
["101155944","C#Cc1ccc(N(c2ccc(-c3ccc4c(c3)C(CC)(CC)c3ccc(C#C)cc3-4)s2)c2ccc(-c3ccc4c(c3)C(CC)(CC)c3ccc(C#C)cc3-4)s2)cc1"]
["142087025","Cc1cc(S(=O)(=O)Oc2ccc(N(C)C(=N)O)cc2)c(F)cc1F"]
["180830603","CC(C)c1cc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@]3(C)O)c(C(C)C)c2)ccc1O[C@H]1OC(CO)C[C@H](O)[C@]1(C)O"]
["95443163","CCCNC(CC1CCCO1)c1cccc(OC2CC2)c1"]
["8295232","CC(O)=Nc1cccc(N=C(O)c2ccccc2-c2ccccc2C#N)c1"]
["MCULE-9157050630","CC(O)=Nc1ccc(S(=O)(=O)CCC(O)=NC(Cc2ccc(F)cc2)C(=O)N2CCC(C(=N)O)CC2)cc1"]
["49685240","CC(C)CC(CO)N=C(O)CCn1ccccc1=O"]
["7446615","CN(Cc1ccccc1Br)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1"]
["MCULE-8886721610","COc1cccc(-c2cc(NC(=O)Cc3cccnc3)c(C)cc2F)n1"]
["164745349","Cc1cc(C)cc(N=C(O)c2ccc3c(c2)CC(C)N3S(=O)(=O)c2ccc(F)cc2)c1"]
["153989544","CCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)OC[C@H](COC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCCCCCCCCCC"]
["134564056","CCC(C)OCC(O)=NS(=O)(=O)c1cnn(-c2ccccc2)c1"]
["85363683","CN(CCOc1cccc(C(=N)S)c1)CCS(C)(=O)=O"]
["185541084","CCOC1C(Cl)=C(Cl)C(Cl)=C(Cl)C1(Cl)N(C)C"]
["120620299","CN(c1[nH]c2ccccc2c1C(=O)O)C1CCCC1"]
["172036974","C=CSCC(O)c1ccccc1"]
["53205886","CCOc1cc2c(cc1OCC)CN(CN1C(=O)C3(CCC(C)CC3)[NH+]=C1O)CC2"]
["43262463","O=C(O)COC(=O)OCOc1c2n(cc(C(=O)CCc3ccc(F)cc3F)c1=O)C[C@@H]1N(C[C@H]3CCCN31)C2=O"]
["96423371","CC#CCCn1nc(C(=O)O)c2ccccc21"]
["88136251","CCOC(=O)c1cc(-c2cc(OCC)c(OCC)cc2Cl)[nH]n1"]
["17214316","CCCN1CCC([NH+](C)C(=O)CCOc2ccc(Br)cc2)CC1"]
["189927549","CC.CC.COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C(C)(C)CCC(=O)/C=C/CCCN(C)C(=O)[C@H](CC(C)C)CC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)CC(=O)C(c3ccccc3)CC(=O)CCC(=O)Cc3cccc2c3)cc1OC"]
["MCULE-6612872749","Cc1nc(=NC(=O)CCc2ccc(F)c(-c3cccc(CN4CCOCC4)c3)c2)s[nH]1"]
["176492997","CC(C)(I)COC(=O)c1ccc(C(=O)O)cc1.CC(C)I"]
["174170156","Oc1c(O)c(O)c(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)c3c2)c(O)c1O"]
["197610915","CC1(C)OB(CN=C(O)Cc2ccccc2)OC1(C)C"]
["19564686","COc1ccc(CN2CCN(S(=O)(=O)CCc3ccccc3)CC2)cc1"]
["175192610","C=C1CCO[C@@H]1C1COC(C)(C)O1.CC(C)(O)O"]
["54981426","CCN1CCN(Cc2ccccc2CN=C(O)C2CCC3(CC2)N=C(O)N=C3O)CC1"]
["28375998","C[C@]1(CS(=O)(=O)N2CCN(c3ccc(-c4ccc(C#N)cc4)cn3)CC2)N=C(O)N=C1O"]
["128910093","Cn1nc(C(O)=Nc2nnc(Cc3cccc(Cl)c3)s2)cc1OC(F)F"]
["190696046","COC(=O)c1csc(N)c1C.COC(=O)c1csc(N=C(O)OC(C)(C)C)c1C"]
["MCULE-1433256462","O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3cccnc3)ccc2F)CC1"]
["3879274","CC1=CC[C@H](COC(=O)CCl)CC1"]
["176775676","Cc1nc2c(N)ncnc2n1C1CCC(C)O1"]
["110807439","O=C(c1cnc(O)[nH]1)N1CCCC[C@H]1CCc1ccccc1"]
["45404400","CCNC(CN1CCCc2cc(C)ccc21)C(=O)O"]
["21139231","CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(CCN=C(O)c3ccsc3)CC2)cc1"]
["MCULE-6008818995","CCN=C(O)CNC(=O)c1cc2c(Br)cccc2s1"]
["30503233","O=C(O)C[C@H]1[C@@H](O)CC[C@@H]1C#CC(Cc1ccccc1)OC(=O)c1ccccc1"]
["56052800","CN(C)CCCNCc1cccc(C(F)(F)F)c1"]
["175169940","C=C(C(O)=NCC)/C(=C\\N(C)C(C)(C)C)NC(O)=Nc1ccc(C)c(-c2ccc(C(=O)NCC)nc2)c1"]
["MCULE-6430933512","Cc1cccc(C)c1OCC(=O)N1C(c2ccccc2)CSc2nnc(CCCOc3ccccc3)n21"]
["47757500","Nc1cc2ccccc2c(Cl)c1Cl"]
["MCULE-3257828390","Cc1ccc(-c2ccc(F)nc2)cc1N=C(O)CSc1ccncc1"]
["52276674","CCOC(=O)c1c(NC(=O)c2ccn(COc3ccccc3[N+](=O)[O-])n2)sc(C)c1C"]
["55440052","C=C1CCC2C3(C)COC(c4ccc(Cl)cc4)OC3CCC2(C)C1/C=C/C1=CCOC1=O"]
["7644172","CCOC(=O)Cc1ccc(I)c(Br)c1"]
["MCULE-6035351137","CC1CCC(C(=O)Nc2ccc(-c3cc(F)ccc3F)cc2)CC1"]
["24477904","CCCN=C(O)C(C)N=C(O)CSc1nnc(-c2ccncc2)n1C1CC1"]
["89326356","NCCC1(c2cncnc2)CCSCC1"]
["115875858","CN(C)CCCN=C(O)NCCN(C)C"]
["21720494","O=C1c2cc(O)c(O)cc2S(=O)(=O)[C@H]1c1ccccc1"]
["MCULE-4212476302","COc1ccccc1Oc1ccc(C(=O)N2CCc3ccc(-c4ccc(C#N)c(F)c4)cc3C2)cc1"]
["107799350","C[C@H](O)[C@@H](N)C(O)=NC[C@@H]1CCS(=O)(=O)C1"]
["139014852","N#CC1CCC(OC(=O)C2CCC(N=C(O)CC3CCCCC3)CC2)C1"]
["122933082","CCCc1cc(C(=O)N2CCN(CC=Cc3ccccc3)CC2)n[nH]1"]
["1004466","CC(C)C[C@@H](C(=O)O)N(Cc1cccc(CN([C@@H](CC(C)C)C(=O)O)S(C)(=O)=O)c1)S(C)(=O)=O"]
["162937040","O=C(N=c1cc[nH][nH]1)c1ccncn1"]
["53529504","Cc1ccc(COc2ccc(CN)cc2Br)cc1C"]
["MCULE-9846276131","CCCCC(C(=O)Nc1ccc(Br)cc1C)N(Cc1ccccc1)S(=O)(=O)CC"]
["70459000","O=C(C=Cc1ccccc1OC(F)F)Nc1ccc(S(=O)(=O)N2CCCC2)cc1"]
["135769318","COc1cc(OC)cc(OCc2nc(C(C)C)no2)c1"]
["63678484","COc1ccc(N=C(O)c2ccc(NC(=O)c3sc(-c4ccsc4)nc3C)cc2)cc1"]
["107181636","CN[C@H](C)Cc1cn2cc(F)cc(Cl)c2n1"]
["147337092","O=C(NCC1CNCC1O)c1ccc(N=C(O)c2cccs2)cc1"]
["100623075","Cc1cc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)ccc1Cl"]
["118533647","CCN=C(NCCS(=O)c1ccccc1)NC(C)COC"]
["165822826","Cc1cc(/C=C(\\C(=O)O)c2cccs2)ccc1F"]
["82903044","CNC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1"]
["130767928","CCN(CC)C(=O)CC(C)NCC(C)N1CCN(c2ccccc2)CC1"]
["11748345","O=C(NCc1cccc(F)c1)C(=O)N1CCSc2ccccc21"]
["155763408","O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cc(F)ccc1O"]
["53202634","C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N=C(O)Nc3ccc(F)cc3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1"]
["164342515","COCCn1c(=O)n(C(C)C)c(=O)c2c(C)c(CO)sc21"]
["109358408","N#Cc1ccc(OC[C@H]2CC[C@H](C(O)=NN)O2)cc1"]
["256899","CC(=O)CCC1CCCCN1C"]
["93679250","CCc1nn(CCO)c(O)c1Br"]
["24006382","O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(CCc2ccccc2)CC1"]
["146237654","CS(=O)(=O)c1ccc(CN=C(O)C2COCCN2)cc1.Cl"]
["100363619","O=[N+]([O-])C1=Cc2cccc(Br)c2OC1c1ccc(Br)cc1"]
["107547887","COc1ccc(CCCN)cc1N=C(C)O"]
["124362988","C=CCn1c(=C(C#N)C#N)sc(=Cc2c(OC)ccc3ccccc23)c1=O"]
["196926189","CC/C=C\\C/C=C\\C/C=C\\CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\C/C=C\\CCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCCC"]
["170058018","C=CC(O)=Nc1cnn(CCOC)c1-c1cc(C)c(/C=C(/c2c(Cl)c(OC)cc(OC)c2CC)N(C)C=O)cn1"]
["165301634","Cc1ccc([C@H]2CN(C(=O)CCC(=O)N(C)C)C[C@@H]2N=C(O)C2CC2)cc1"]
["140200128","CC(C#N)Oc1ccccc1NCC(=O)Nc1ccc(Br)cc1"]
["158722053","Cn1cc(Br)cc(N=C(O)N2CCC[C@]3(CN=C(O)C3)C2)c1=O"]
["139974195","Cc1cc(C)c(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)o1"]
["191140621","C.F.[3H]N(CC(F)(F)c1ccccc1)c1ccc(Cl)c(CC(O)=NCCONC(=N)N)c1F"]
["74983669","CSCC[C@H](NC(=O)c1ccncc1)C(=N)O"]
["50385464","CCOc1ccc(C(C)N=C(O)C23CC4CC(CC(Cl)(C4)C2)C3)cc1OCC"]
["187214711","OC(=NC1(c2ccccc2)CC1)C1NNC2CCC(c3cccnc3)CC21"]
["149742140","COC(=O)N1c2ccc(-c3cnn(CC(C)(C)O)c3)c(OCC3CCCC3)c2CCC1C"]
["80796793","COCCNS(=O)(=O)c1cccc(C(O)=NCc2ccc(CN3CC(C)CC(C)C3)cc2)c1"]
["175642820","C=CC.c1ccc(-c2ccccc2-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)ccc2C3)nc1"]
["44396816","CCCN=C(O)[C@H](C)N=C(O)COC(=O)Cc1nnc(O)c2ccccc12"]
["MCULE-9703037627","CC(C)(C)OC(=O)N1CC(C(O)=Nc2ccc(-c3ccc(CC(=O)O)nc3)cn2)C1"]
["138014139","Cc1ccc(C2CSCCN2C(=O)c2ccnc(C)n2)cc1"]
["20177427","CCN1CCN(S(=O)(=O)c2ccc([NH2+]C(=O)/C=C/c3ccccc3F)cc2)CC1"]
["48363572","CN(C)c1ccc2c(c(CC=O)cn2C(=O)c2ccccc2)c1C(F)(F)F"]
["197816207","C=CS(=O)N1CCC2(CCN(C(C(O)=NC(Cc3cc(O)cc(-c4ccc5c(c4)c(CC(C)(C)COC=O)c(-c4cccnc4C(C)OC)n5CC)c3)C(=O)N3CCCCN3)C(C)C)C2=O)C1"]
["141859976","CC1CCC(C)N1CCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1"]
["123630025","Cc1nc(C2CN(C(O)=NC3CCN(c4ccccn4)CC3)CCO2)n[nH]1"]
["MCULE-9878104993","CCOc1cccc(-c2ccc(CC(=O)N3CCN(c4nccs4)CC3)cc2F)c1F"]
["142379763","O=C1OCCN1CCCNS(=O)(=O)c1cccc(F)c1"]
["153761817","C=CCN1C(=O)/C(=C\\N(C)C)S/C1=N\\S(=O)(=O)c1ccccc1"]
["179716744","O=Nc1ccc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)cc1"]
["5039892","COc1cccc(CCC(O)=NCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1"]
["93378536","CC1CN(S(=O)(=O)c2ccc(F)cc2F)CCC1O"]
["169669609","CC(C)CN(CI)CC(O)=NCCCCOC(C)C"]
["184066306","CC(C)c1ncc(C2(O)CCC3(CC2)C(=O)CCC3=O)s1"]
["96542120","Fc1cccc(/C=C/B2Nc3cccc4cccc(c34)N2)c1"]
["116358858","CN=C(NCCc1csc(N2CCCC2)n1)N1CCC(Oc2ccccc2)CC1"]
["MCULE-7611843180","O=C(c1ccnc(Cl)c1)N1CCCC(N=C(O)C=Cc2ccc(F)cc2)C1"]
["197710219","CC(C)Nc1nccc(-c2ccccc2)c1C(C)C"]
["45198481","C=CCOc1ccc(-c2ccccc2N)cc1"]
["172060882","Cc1c(N=C(O)c2cc(C(N)=O)nc3ccccc23)c(C(F)(F)F)nn1Cc1ccc(C(C)(C)C#N)cc1"]
["174849893","C=C(CCc1ccccc1C)C1(CCC)CCCCC1"]
["74989878","C1=CC2CC(=C1)c1ccccc1N2C1N=CC=N1"]
["MCULE-4156647882","Cc1ccc(-c2cnn(C(C)C)c2)c(N=C(O)C2CCCN2Cc2ccccc2)n1"]
["11618045","C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCOCCOC)cc1"]
["112083735","Cc1ccc(NCc2cc(Br)ccc2O)cn1"]
["5520949","CC(=O)CCc1ccc(O[C@H](C)C(O)=NCCCn2cccn2)cc1"]
["55495938","CC(C)NC(S)=NCC1COc2ccccc2O1"]
["132253600","CCOC(=O)C1CCCN(C(=O)C(C)N2CCCC(Cn3ccnn3)C2)C1"]
["29178731","CC(C)(C)OC(=O)N1CCCC2(CCN(c3ccc(Oc4ccccc4)cc3)C2=O)C1"]
["81924266","C[n+]1ccn(-c2ccc3c(c2)c2ccc4c5cc(-c6n(-c7ccccc7)c7ccccc7[n+]6C)ccc5n(-c5ccccc5)c4c2n3-c2ccccc2)c1"]
["168890902","CCCN(Cc1ccc(C(C)C)cc1)Cc1cnc(C(=O)O)cn1"]
["129801861","O=C(NCCO)C(=O)Nc1cccc(CS(=O)C2CCCCC2)c1"]
["47783855","CCNCc1nc(N2CCN(C)CC2)ccc1Cl"]
["46844824","COc1cccc(CN(C)Cc2ccc(C(=O)O)o2)c1"]
["200325608","[2H]C(C)(C)c1cccc(C([2H])(C)C)c1-c1cc[n+](C)c(-c2c(C)ccc3cc(C(F)(F)F)ccc23)c1"]
["MCULE-8235468373","Cc1ccccc1N=C(O)C(C#N)=CNc1ccccc1Cl"]
["MCULE-2524173356","CCOC(=O)N1CSCC1C(O)=Nc1ccc(-c2ccc3c(c2)C(=O)CCC3)cc1F"]
["47360578","CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)c1"]
["102007363","O=S(=O)(c1ccc(F)cc1)N(CC(O)=NCCN1CCOCC1)c1ccc(F)cc1"]
["116281299","COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(CN5CCOCC5)cccc4n3)c(C)c12.Cl"]
["83269856","O=C(CC(c1cnc[nH]1)c1ccccc1Br)c1ccncc1"]
["151270148","COc1cc([C@@H]2c3sc(O)nc3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCC(=O)O)C(=O)[C@@H]45)[C@@H]23)ccc1O"]
["MCULE-3379826298","COc1cc(N=C(O)Nc2ncccc2OCC(=O)N2CCCc3ccccc32)c(OC)cc1Cl"]
["147345822","Cl.O=C(C1CC(F)(F)CN1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1"]
["122279685","Cc1[nH]c2ccccc2c1C1CCN(C(=O)CCOC2CCOCC2)CC1"]
["MCULE-2845763378","CCCCCC(O)=Nc1cncc(-c2ccncc2F)n1"]
["86045325","CCCC(C)C(NC)c1cc(Br)c(Br)s1"]
["92535645","Cc1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)no1"]
["191947630","Cl.FC(F)(F)c1nc2ncccc2c(=NCCc2ccccc2Cl)[nH]1"]
["117721383","CCOc1c(Cl)cc(CNC(=NC)NC(C)(C)C)cc1OC"]
["183581333","CCCCCCCCC(CCN)(CCCN)C(C)(OCC)OCC"]
["142971325","C=CCCCNc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1"]
["21783224","COCCN(CC(=O)N(CCC(=N)O)c1ccccc1)[C@H]1CCS(=O)(=O)C1"]
["94183588","N#Cc1ccc2nc(CCCl)n(CC3CCCC3)c2c1"]
["MCULE-9140180137","Cn1ncc2ccc(-c3cc(F)cc(N=C(O)CCc4ccccc4)c3)cc21"]
["127165596","CC1CN(C)c2ccccc2N(C(=O)c2ccccc2)C1"]
["12730124","O=C(c1csc(-c2ccccc2Cl)n1)N1CCN(c2ccccc2O)CC1"]
["115974190","COc1ccccc1CCNC(=O)c1cc(C(=O)N2CCCCCC2)ccn1"]
["10113297","CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccc(F)cc2)o1"]
["80622133","CCCCCC(=O)N(Cc1ccco1)C(C(O)=NCCCC)c1ccccc1O"]
["160429375","O=S1(=O)CCCC(N=C(O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1"]
["60803343","COc1ccc(NS(=O)(=O)c2ccc(C)c(C(O)=NCCc3cccc(F)c3)c2)cc1"]
["MCULE-2270045118","COc1cc(-c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1ccncc1"]
["15780081","O=C(c1cccc(Cl)c1)N1[C@@H](C(O)=NCCc2nnc3n2CCCCC3)C[C@@H]2CCCC[C@@H]21"]
["45469937","Cc1cc(C(=O)Nc2cc(F)ccc2F)ccc1NC(=O)C(C)N1CCC(C(O)=Nc2cc(N=C(O)C3CCCCC3)ccc2F)CC1"]
["60415418","COc1ccc(C(OC2CCN(CCCCCC(=O)O)CC2)c2ccccc2)cc1.O=C(O)/C=C/C(=O)O"]
["95281645","CCC1(CC)N=C(O)C(C)N(C2CC(C)C2)C1=O"]
["169844285","CCCOC(=O)CN(CCCCCl)c1ccc([N+](=O)[O-])cc1Cl"]
["57782795","CCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(Cc1ccccc1)C(O)=Nc1ccc(F)cc1F"]
["126986724","COc1cc(C#N)ccc1OCCCC(=O)N1Cc2ccccc2CC1C"]
["176320450","C[C@@H]1C=C2c3cccc4ccn(c34)C[C@H]2N(C#N)C1"]
["138277659","OC(CSCC(F)(F)F)=Nc1ccc(Br)nc1"]
["MCULE-9450821656","COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCCO2)cc(Cl)c1O"]
["MCULE-2976947944","O=C(CCc1ccc(-c2cccnc2)cc1F)N1CC2CCCC2C1"]
["157289930","OC1=NCC[C@@H](C(O)=NCCc2ccccc2)CCCN(Cc2cccnc2)CC1"]
["151585388","CC[C@@H](C(O)=N[C@H](C)c1cc(C)c(C)cc1C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O"]
["129967487","COC(=O)c1csc(NC(=O)C(=O)N(C)C(C)c2cccc(Cl)c2)c1C"]
["557748","CCOC(=O)[C@@H](Cc1c[nH]c2c(-c3ccc(C[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@H](CC(C)C)C(=O)OC)cc3OCc3ccccc3)cccc12)N=C(O)OCc1ccccc1"]
["182613930","COc1ccc(C2=CC(C3(C)C(C)=C(C)C(N=[N+]=[N-])=C3C)c3ccccc32)cc1"]
["30268174","O=C1/C(=C/C2C=Nc3ncccc32)NC(=NCC2CC2)N1c1ccccc1"]
["62787044","COC(=O)c1ccc([C@H](C)N=C(O)[C@H]2CCCCN2)cc1"]
["137922855","CCC(CC)S(=O)(=O)N1CCCC(C(O)=NCC2CC2)C1"]
["25768928","Cc1cc([N+](=O)[O-])ccc1N=C1SCCN1C1CCCCCC1"]
["76763692","O=C(O)CCC1N=NN=C1S.[Na+].[Na+]"]
["14066107","CCc1nc(C)ccc1OCC(O)=NCc1ccc[nH+]c1N1CCN(C)CC1"]
["102077093","CC[C@@H](C)N=C(O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1"]
["177983240","CCS(=O)c1ccc(CNc2nc3ncc(Br)nc3n(C(C)C)c2=O)nc1"]
["125991785","CCS(=O)(=O)Nc1cccc(Cn2ccnc2C(C)C)c1"]
["198505672","[2H]C([2H])([2H])c1cc2c(cc1-c1c(C([2H])([2H])[2H])ccc3c1oc1nc4ccccc4n13)[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])c1ccc(C([2H])([2H])[2H])c(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c1S2"]
["97610248","COC(=O)[C@]1(C)CN(C(=O)Oc2ccccc2)N=C1c1ccc(Cl)cc1"]
["164595996","CCOC(=O)/C=C/[C@H](C)Nc1ccccc1"]
["174931237","C/C(N)=C(\\CCN1CCCc2cc(/C=C/C=C3CC3)ccc2C1)c1ccccn1"]
["124231663","Cc1ccc2cccc(N=C(O)Cc3n[nH]c4c3CCCC4)c2n1"]
["MCULE-5802683623","Cc1nn(-c2cccc(Cl)c2)c2c1C(c1ccccc1Cl)C(C(O)=NCCO)=C(N)O2"]
["MCULE-6494606126","CCCN1Cc2c(N=C(O)CCCOc3ccc(Br)cc3Cl)cccc2C1=O"]
["130511744","CCCCCOCC(O)=Nc1cc(Cl)ccc1C(O)=NC"]
["119504701","CCC1CCCCN1c1nccc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]1"]
["88857940","CCC(CC)C1NCCc2c(OC)cc(OC)cc21"]
["MCULE-2777829093","Cn1nccc1C(=O)N=c1nc2ccc(-c3cccc(S(C)(=O)=O)c3)cn2[nH]1"]
["63607732","Nc1ccc(F)c(N=C(O)CN2CCCc3ccccc32)c1"]
["86254087","NNc1sc(S(=O)(=O)Nc2cn[nH]c2)cc1[N+](=O)[O-]"]
["163814638","CO[C@@H]1CC(c2ncc[nH]2)N(C(=O)c2[nH]c3ccccc3c2Cl)C1"]
["MCULE-5565315974","Cc1ocnc1C(O)=Nc1ncccc1F"]
["MCULE-9160215808","CC(=O)c1ccc(-c2cc(C)cnc2N=C(O)c2ccc(N3CCN(C)CC3)cc2)cc1"]
["181615010","C=CCC(CC=C(C)C)N=[N+]=[N-]"]
["181178522","C=CC(O)=NCC(O)COc1cccc(CCCCCCCCCCCC)c1"]
["191018560","O=C(CN=Cc1cc(Br)ccc1O)c1ccc(/C=C/C(O)=NO)cc1"]
["87370277","Cc1nc(Oc2ccc(Br)cc2)ccc1CCl"]
["MCULE-2435602652","Cc1cc(F)cc(-c2cnc3ccccc3c2)c1N=C(O)C1CCN(C(C)C)CC1"]
["200188874","O=C(c1nc(Cl)cs1)N1CCc2nc[nH]c2[C@@H]1c1cc2cccc(F)c2o1"]
["198846006","c1cc(CNCc2cnc(C3CC3)s2)c2nsnc2c1"]
["162991634","COC1(C)C[C@H]2C(=O)CC[C@H]21"]
["188394687","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C/C=C\\C[C@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]1O"]
["159195996","Cc1nc([C@H]2CCCO2)c(N)n1N"]
["47218211","O=C([O-])CN=C(O)c1ccc2[nH]cc(NC(=O)c3ccc(F)cc3)c(=O)[n+]2c1"]
["120090334","OC1=NCC(Nc2ccc(C(F)(F)F)cc2F)C1"]
["MCULE-4054073102","CCc1ccc(-c2cccc(OC)c2C(=O)N=c2cc[nH]cc2F)cc1"]
["119409717","COc1cc(Cl)c(C)cc1N=C(O)CNC(C)c1cc2ccccc2o1"]
["141741304","O=C1N(CC2CCCC2)C(O)=NC12CCc1ccccc12"]
["MCULE-2417990207","Cc1cnc(C)c(-n2cc(CCl)c(C)n2)c1"]
["54750444","CC(C)N1C(O)=NC2C1N=C(O)N2C(C)C"]
["67995684","COc1ccccc1OCCN(C)Cc1nc(-c2ccc(C)cc2)no1"]
["63614285","C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C(O)c3nc4c(C)cccn4c3C)C2c2ccc(OCCCC)c(OCC)c2)nc1C"]
["54659493","COCc1nc(N2CCC(C(=O)N3CCN(C)CC3)CC2)c2c(-c3ccccc3)csc2n1"]
["125111854","Cc1ccc(-n2nc(C)c(N=C(O)COc3ccc(Cl)c(F)c3)c2C)cc1"]
["30225815","O=C(NC1CC(=O)N(c2ccc(N3CCCCCC3)c(Cl)c2)C1)c1ccc(Br)s1"]
["188136886","c1ccc(-c2cccc(N(c3ccccc3)c3ccc4sc5c6ccccc6ccc5c4c3N(c3ccccc3)c3ccccc3-c3ccccc3)c2)cc1"]
["113460093","Cc1cn(C(C)c2ccc(Br)cc2)c(=N)[nH]1"]
["10438240","C[C@H]1[C@@H](N=C(O)[C@@H](C)OC(=O)c2cc(Cl)ccc2F)CCC[C@@H]1C"]
["188153625","Bc1csc2c1C(C)(C)CCC2(C)C"]
["111209230","O=S(=O)(c1cc(Cl)cc(Cl)c1)N(CCCO)C1CCC1"]
["MCULE-7077541019","Cc1ccc(CN2CCC3(CCCN(C(=O)CCC4CCCCC4)C3)C2)cn1"]
["154819080","CN(c1ccncn1)C1CCN(CC2CCCC(O)=N2)CC1"]
["2928837","CC(C)CCN1C(=O)C(C)(C)COc2cc(N=C(O)Nc3ccc(Cl)cc3)ccc21"]
["184604233","C/C=C\\C=C(/C)CCCNCCC(=O)O"]
["51395454","CN=C(O)c1cc(N=C(O)C(C)N2CCC(C(O)=NC(C)C(O)=Nc3ccc(C)c(NC(=O)c4ccc(F)cc4)c3)CC2)ccc1Cl"]
["96794975","CCN(CC)c1ccc(C(=C(C#N)C#N)N(C)C)cc1"]
["21067565","Cc1noc(C)c1CN1CCN(CN2C(=O)c3cccc4cccc2c34)CC1"]
["67093286","CCCCN(CC(O)=Nc1ccccc1OCC)Cc1nc(O)c2ccccc2[nH+]1"]
["CSSS20766221399","O=C(COC(=O)N1CCC(N2CCOCC2)C1)Nc1ccc(Cl)cc1.O=C(O)C(F)(F)F"]
["84152810","CCCCC(=O)CCC(=O)c1ccc(Br)cc1"]
["133248162","Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCS(C)(=O)=O)C(C)(C)C"]
["138482037","CC(C)c1ccc(CN(C(=O)Cn2ncn3nccc3c2=O)C2CC2)cc1"]
["186832807","COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1ccc(Br)cc1"]
["89875823","CN1CCN(C(=O)C2C3C=CC(C3)C2C(O)=NCCNc2ccccc2[N+](=O)[O-])CC1"]
["131171375","CN(CC1CCOCC1)C(O)=NC(Cc1ccccc1)CN1CCOCC1"]
["MCULE-6847931863","CCCc1ccnc(-c2cc(O)n3nc(C4CC4)c(Br)c3n2)c1"]
["109638348","C[C@H]1CCCCN1Cc1ccccc1CN=C(O)CN1C(=O)CSc2ccccc21"]
["MCULE-8697219789","COc1ccc(NC(=O)c2cccnc2SC)cc1-c1ccc(S(C)(=O)=O)cc1"]
["160902304","Cc1ccc(F)c(C(=O)N2CCCC(c3nc(O)n[nH]3)C2)c1F"]
["172269872","C=c1cc(/C=C/C=NC(CCCN)C(=O)O)cc/c1=C/N.N=CN"]
["MCULE-3691111661","CCCCOC(=O)c1cccc(N=C(O)Cc2ccc3c(c2)CCO3)c1"]
["198992355","Cn1cc(S(=O)(=O)NCC(N=C(O)C2(c3c(F)cccc3Br)CC2)c2ccccc2)cn1"]
["94579570","CCOC(=O)c1coc(=NCC(CC)CC(=O)O)[nH]1"]
["MCULE-2734220305","CCc1nn(-c2ccc(CCO)cc2)c(N)c1C(C)C"]
["128050533","CC(C)N(CCN(C)C)C(O)=Nc1ccc(Br)c([N+](=O)[O-])c1"]
["132682335","O=C(c1ccc(-n2cnnn2)cc1)N1CCN(C(=O)c2cccs2)CC1"]
["153724799","Cc1cc(-c2cn(C)nc2[C@H]2CC[C@@H](CN=C(O)C3CC3)CC2)on1"]
["164623649","CC(C)(C)S(=O)(=O)C1=CCC=C1"]
["139066566","CC(C)(C)OC(=O)c1cccc(CN(CC2CCOC2)C2CC2)c1"]
["88533852","CCC1(CC)CC(Nc2cccc(N)c2C)CCO1"]
["190111992","COc1ncc(-c2cc(N3CC(F)(F)C(F)(F)C3)c3nccn3n2)c(OC)n1"]
["17064088","COc1ccccc1/C=C1/Oc2c(ccc3c2CN([C@H]2CCS(=O)(=O)C2)CO3)C1=O"]
["158834177","CC[C@H]1OCCC[C@@H]1C(=O)N1CCC(c2nncn2CC)CC1"]
["177761864","C[C@H]1CC[C@@H](C(O)=NN)CN1c1cnn(CC(C)(C)N=O)c1"]
["64321665","C[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O"]
["59987752","C=C[C@@H]1CC[C@@H](C=C)S1(=O)=O"]
["150851706","CC[C@@H](C)Oc1ccccc1/C=C(/C#N)c1cccc2ccccc12"]
["26805941","O=S(=O)(Nc1ccc(Cl)cc1C(O)=Nc1cccc2cnccc12)c1ccc(Cl)cc1"]
["118179385","COCc1ccc(C(=O)NCC(O)C2CCCC2)cc1"]
["167210707","CC(C)=C(/C(=C/N1CCCCC1)[N+](=O)[O-])C(C)(C)C"]
["67401764","CCNC1COCC1c1nc(C2CCCCC2)no1"]
["61141060","CCCC1N=C(O)CCN(Cc2cc(C)ccc2C)C1=O"]
["125974541","CN1CCN(C(=O)Cc2cccc(N=C(O)c3cc(F)cc4nc[nH]c34)c2)CC1"]
["MCULE-9063956882","CCc1nn(Cc2ccccc2)c2c1C(c1cccc(O)c1)C(C(O)=NC(C)C)=C(N)O2"]
["MCULE-2062431200","CC(c1ccc(F)cc1C(F)(F)F)n1nc(C2CC2)cc1C#N"]
["43833230","C[C@H](N=C(S)Nc1ccc(N=C(O)c2csnn2)cn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]
["103728636","Nc1ccc2c(c1)CN(CCOc1cccc(F)c1)CC2"]
["137672026","COC(C)C(O)=Nc1cccc(N=C(O)Nc2ccc(F)cc2C(F)(F)F)c1"]
["151746310","CC(=O)N1CC[C@@]2(C(=O)N3CCCC3)CCN(C(O)=NCCc3ccc(F)cc3)CC[C@H]12"]
["154857214","Cc1ccc(=O)n(CC2CN(Cc3noc4c3CCCC4)C2)n1"]
["30713295","CN1CCCNc2ncnc3c2/C(=C/Nc2ccc(NC(O)=Nc4ccccc4)c(c2)OCCCC1=O)C(O)=N3"]
["66122385","COc1ccccc1SCCCOc1ccccc1N"]
["78067294","C#CCCCCCCS[CH]C"]
["22673149","CC(C)(C)c1ccc(OCC(O)=NN=Cc2cccc(Br)c2)cc1"]
["188581158","Cc1nc2c3cc(-c4ccnn4C)ccc3nc(O)n2n1"]
["27980774","CC(C)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCCN1"]
["105487255","CN[C@@H]1CCN(c2ccccc2OC)[C@H](C)C1"]
["82720895","CC12CCC3C(CC(=O)C4CC(C=CCCN)CCC43C)C1CCC2=O"]
["111860316","CCc1ccc(C(=O)CN2CCc3ccc(F)cc32)s1"]
["MCULE-6954367512","Cc1cnc(C(O)=Nc2cc(-c3cccc(F)c3C)ccn2)cn1"]
["59965797","Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CC2)cc1"]
["59843749","CN(Cc1cc(N)ccc1Cl)C(=O)CCCc1cccs1"]
["MCULE-1789717166","COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3NC(=O)c3ocnc3C)ccc2c1"]
["MCULE-3709343102","COc1ccc(-c2cc(C#N)ccc2NC(=O)C2C(C)(C)C2(C)C)c(F)c1"]
["32139061","COc1ccc(CO[C@@H](CC=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)cc1"]
["106019665","CCOc1ccc([C@H](O)CCC(O)=N/N=C\\c2cc(Cl)c(OC)c(Cl)c2)cc1"]
["90667870","COc1ccc(C(OCC2OC(N3CC(C)C(O)=NC3=O)CC2OP(=O)(NCCCCCN)OCC2OC(N3CC(C)C(O)=NC3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1"]
["15883677","Cc1cc(C)cc(N=C(O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1"]
["133634325","CC(NCCc1ccnn1C)c1ccc(Cl)c(Cl)c1O"]
["200060318","O/N=C/c1nc(OCCN2CCOCC2)ccc1O"]
["102895866","C=CCN=C1C(c2ccccc2)(c2ccccc2)C(=NCC=C)C1(c1ccccc1)c1ccccc1"]
["20402254","Cc1[nH+]c2n(c(=O)c1C)CN(C(C)C)CN2c1ccc(Cl)cc1Cl"]
["142831944","FC(F)(F)c1ccc(C2CCN(Cc3cn4cccnc4n3)CC2)cc1"]
["94827536","CCCNC(Cc1cccc(C)c1)c1cccnc1C"]
["MCULE-2928271052","O=C(Cc1cc(F)cc(-c2ccccc2)c1)N1CCCc2ccccc21"]
["4824548","C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)OCCCO3)c1"]
["100883250","O=C1C2c3ccccc3C(c3ccccc3)c3ccc4c(c32)C12c1ccccc1C4c1ccccc12"]
["173332174","C=C(CC1(CC)CCCC1)C1C2CC(C1C(=C)CC)C(C(CC)CC)C2CC"]
["174397042","CC(C)c1cc(F)cc(F)c1-c1ccccn1.CCC"]
["170619865","CCCCCC[C@@H]1C(O)=N[C@@]23C[C@@]45O/C(=C(/CC)CCC[C@H](OC)C(=O)[C@@]4(C)[C@@H]12)c1c(O)ccc(c15)C3=O.CO"]
["199746551","NS(=O)(=O)C1CC(=O)N(c2cccc(-c3cc[nH]n3)c2)C1"]
["174974464","NC1CC1c1cccc(N2CCC(N3CCCC3)CC2)c1"]
["197821418","COc1ccc(CN2Cc3cc(Br)c(F)cc3C2=O)cc1"]
["174094553","C=Cc1ccc(NC)c(C(=O)O)c1"]
["9634214","C=CCN=C(O)N1CCC(c2nc(C)ccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1"]
["170533826","C=C1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1CCOC(=O)Nc1ccc(Br)cc1"]
["MCULE-6046749515","CCOc1ccc(C)cc1-c1ccc(CC(O)=Nc2cnc(C)nc2)cc1"]
["161905483","O=C1CCC2=C(C1)C(c1ccc([N+](=O)[O-])cc1)N1N=C(O)C(=NNc3ccccc3)C1=N2"]
["13995110","CN(C)c1nc(/C(C#N)=C\\c2ccc(F)cc2F)nc(=N)[nH]1"]
["33462179","C=CO[C@@H](CCOCc1ccccc1)COS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C"]
["84850939","COCCNCC(C)=Cc1ccc(SC(F)(F)F)cc1"]
["MCULE-3776076965","OC(Cc1ccc(-c2cccc(CN3CCOCC3)c2)cc1)=NC1CN2CCC1CC2"]
["170104951","O=C(O)CN(CCCCO)c1nccs1"]
["74978737","CCOC(=O)OCOc1ccccc1[C]=O"]
["139498473","CC(C)=CC(O)=NCc1ccc(C(=O)NCCC2CC2)cc1"]
["182183474","Cc1cc(N=[N+]=[N-])cnc1N1C[C@@H]2C[C@H]1CN2C"]
["110801877","CC(O)=Nc1ccc(CCN=C(O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1"]
["151780649","CC1=C2C(=O)C=CN=C2N[C@H]1C(=O)O"]
["114358423","CN(C(=O)c1ccc(Br)cc1Cl)c1cc(Cl)ccc1N"]
["100977470","O=C[C@H]([C@H](C[N+](=O)O)c1ccccc1)N1C(=O)c2ccccc2C1=O"]
["165002254","O=C(OCCCCSc1n[nH]c(C23CC4CC(CC(C4)C2)C3)n1)c1ccccc1"]
["141668693","COC(=O)c1cccc(N=C(O)CC(C)NC(C)CCO)c1"]
["6602631","CCCCCc1ccc(C(=O)CCC(O)=N[C@@H]2CCS(=O)(=O)C2)cc1"]
["149336952","Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C(F)(F)F)C2c2ccc(OCC(C)C)cc2)cc1"]
["MCULE-5236694510","CCOc1cccc(-c2cc(C)c(NC(=O)C3CCCN3C(=O)OC(C)(C)C)cc2C)c1"]
["143632259","CC(=O)N1CCc2cc(C(=O)N3CCN(C(C#N)c4ccccc4)CC3)ccc21"]
["5943511","C=CCN=c1[nH]nc(SC[C@@H](O)c2ccccc2F)s1"]
["173436881","CC(C)(F)c1ccc2c(c1)N=C(N1CCN(CCO)CC1)c1ccccc1O2"]
["43582472","O=C(O)Cc1csc(SCCCOc2ccc(Cl)cc2)n1"]
["7029188","CC(C)(C)c1ccc(CN2C(=O)COc3ccccc32)cc1"]
["153866836","CSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(O)CCCC1=N2"]
["57229849","CCN(C)CCN=C(O)c1ccc(N)c(C(F)(F)F)c1"]
["104508102","COC(=O)C[N+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C\\c2ccccc2Cl)OCO3)C1"]
["174079317","C=C(C)/C(=C\\C=C(/C)C(=S)C(COC(=O)N(C)C1CCCC1)=C(C)N)N=CO"]
["66791789","Nc1ccc(N(CC(F)(F)F)C2CC2)c(C(=O)O)c1"]
["121584912","CC1(C)C2CCC1(CS(=O)(=O)NCCc1ccccc1O)C(=O)C2"]
["150016795","C=CC(=O)OCCCOc1ccc(C#Cc2cc3sc4cc(C#Cc5ccc(OCCCOC(O)C=C)cc5)sc4c3s2)cc1"]
["74228926","CN(C)/C=N/c1ccncc1O.CNC(=O)O"]
["47163391","CN(C)C1=CC2=[N+]3[C-]=c4c(cccc4=C3C(F)(F)F)C(C)(C)c3cccc4c3=[C-][N+](=C3C=C(N(C)C)C=C([N-]3)C(C)(C)C(=C1)[N-]2)C=4C(F)(F)F.[Pt+2]"]
["87870338","CCCCN=C(O)CN1CCC=C(C(=O)O)C1"]
["137766841","O=[N+]([O-])c1ccc(CN=C(O)N2CCCCC(N3CCCC3)C2)cc1"]
["168200337","CN=Nc1ccc2cc(C)c(C)c(O)c2c1N"]
["85746977","Cc1sc(Br)cc1S(=O)(=O)N1CCN(C)C(C)C1"]
["157755645","O[C@H]1COCCN([C@@H]2CCCc3ccc(F)cc32)C1"]
["18821165","Cc1ccc([C@@H](C[NH+]=C(O)Cn2nc(C)cc2C)N(C)C)cc1"]
["151797621","COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N=C(O)C=C[C@]4(C)[C@@H]3CC[C@@]21C"]
["MCULE-8695815151","COC(=O)c1nc(N=C(O)C=Cc2ccc(OCc3ccccc3Cl)cc2)sc1C(C)C"]
["95193031","N#CCc1ccc(NC(=O)Cn2cc(CN)nn2)cc1"]
["183800594","Cc1c(Oc2ccccc2)c(Sc2c(SC(N=[N+]=[N-])(Oc3c(F)c(F)c(F)c(F)c3F)Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c(C)c(-c3ccccc3)c(Cl)c2[N+]([O-])=S)cc(Oc2ccccc2)c1Sc1ccccc1"]
["103481260","CC(C)OC(=O)c1c(N=C(O)COC(=O)[C@@H](C)N=C(O)C(C)(C)C)sc2c1CCCC2"]
["53935071","COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1C"]
["184017927","[N-]=[N+]=NCc1ccc(C(=O)NCc2ccccn2)cc1"]
["104183428","Cc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2)cc1"]
["11918120","CCOCC[NH2+]Cc1cccc(OCc2ccccn2)c1"]
["MCULE-1824898533","Cc1nc(N=C(O)c2ncoc2C)nc(C)c1-c1ccc2c(cnn2C)c1"]
["MCULE-1248935314","CC(C)CCOc1cn(CCN(C)C)c(CN(C)C)cc1=O"]
["182041143","CCSC1(N=[N+]=[N-])CC1(OC(C)(C)C)SC"]
["152616926","CCN1C(=O)/C(=C\\c2ccc(OCC(=O)OC)c(OC)c2)c2ccccc21"]
["101212821","CC(C)=C[C@H]1C[C@@H](C)c2cc(O)c(C)cc2O1"]
["174101383","[B+]=C1[C-]=C2C3=C(O[C-]2C(=[B+])C1=C1[N-][C-](C2=[C-]CCC=[C-]2)[N-][C-](c2c[cH-][cH-][cH-][cH-]2)[N-]1)C(=[B+])C(=[B+])C(n1c2c(=[B+])c(=[B+])c(=[B+])c(=[B+])c2c2c(=[B+])c(=[B+])c(=[B+])c(=[B+])c21)C3=[B+]"]
["30170054","CCCCOc1cc(-c2cc3ccccc3nc2CO)cc(OC)c1OC"]
["18766619","CCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@H]1c1cccc(Cl)c1"]
["160163181","Cc1c([C@H]2OCC[C@@H]2N=C(O)c2ccc3c(c2)N=C(O)CCS3)cnn1C"]
["22219329","CCN=C(O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1"]
["124315845","CCOC(CCN=C(O)c1cnc2c(cnn2C)c1O)C1CCCC1"]
["186651038","O=C1c2c(O)c(=O)c(-c3ncc(CC4=C(F)C=C(F)CC4)s3)cn2CC2CCCN12"]
["MCULE-1228926777","O=C1CCc2cc(-c3cnc(N=C(O)C4CC(=O)N(Cc5cccs5)C4)nc3)ccc21"]
["193089739","CCN(CCONC(=N)N)CC(C)C(C)C"]
["8953451","CC(C)(C)C[NH2+]Cc1ccc2c(c1)OCCO2"]
["78069547","CC(=O)N(BC=O)CC(=O)O"]
["5267076","O=C(NCCCOC[C@H]1CCCO1)c1sccc1-c1ccc(F)cc1"]
["44704248","Cc1cccc(C)c1-c1ccc2c(c1)c1cc3c4cc5c6cc(-c7c(C)cccc7C)ccc6c6ccc(C)c(c4ccc3c3c(C)ccc2c13)c65"]
["164017732","CC(C)CC(O)C(O)=NC1(CN2CCCCC2)CCCCC1"]
["173629302","CS(=O)(=O)c1ccc(C(O)=Nc2cccc(-c3cnc[nH]3)c2)c(Cl)c1"]
["84593102","CC(CC#N)NCC(F)F"]
["MCULE-2079852350","Cc1cc(-c2cnc(N=C(O)c3cc(F)cc(C#N)c3)c(F)c2)cnc1F"]
["160705685","CCN1CC[C@H]2OCCN(S(=O)(=O)c3ccnn3CC)[C@H]2C1"]
["22167563","Cc1c(Cl)cccc1N=C(O)CN(C)[C@@H](c1ccc(F)cc1)c1ncccn1"]
["20470212","CC(C)Cc1nnc(N=C(O)CCC(=O)N2CCN(CCc3ccccc3)CC2)s1"]
["164221794","Oc1c(-c2ccc(-c3cccnc3)cc2)cc(-c2ccc(-c3cccnc3)cc2)c2cccnc12"]
["138914769","CC(=O)N(Cc1ccc(N=C(O)C(=O)NCCc2ccsc2)cc1)C1CC1"]
["MCULE-8027050037","Cc1ccc(C2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2c2cccc(C)c2C)o1"]
["45086354","CN=C(O)/C(=N/OC)c1ccccc1OC/N=C(C)/C(=N/OC)C(/C)=N\\OC"]
["165096925","CCCCCCC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCC=CCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O"]
["135039577","COc1ccc(OC)c(C(=O)N2CCC(CCN3CCCCC3C)CC2)c1"]
["161847224","N=C(S)NCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1"]
["134603641","COc1cc(C)nc(NNC(O)=NCCc2c[nH]c3ccccc23)n1"]
["113699679","CCNC(CC)(CCCN1C[C@@H](C)O[C@@H](C)C1)C(=O)O"]
["14389170","COc1ccc(CCN=C(O)[C@H](C)Sc2nnc(-c3cccnc3)o2)cc1"]
["16898828","CCOC(=O)c1n[nH]c(-c2cc(CC)c(O)cc2O)c1-c1nncn1-c1ccccc1"]
["8139136","Cc1csc([C@H](C)NC(O)=NCCOc2cccc(C(F)(F)F)c2)n1"]
["MCULE-8626140696","COc1cc(OC)c(-c2cccc(C(=O)N=c3cc[nH]cc3C)c2C)c(OC)c1"]
["192819727","CCC(=O)N1CCC(NC2CCOCC2)=C(C(=N)Nc2ccc(C(C=NC)=C(N)C(F)(F)F)cc2F)C1"]
["80631250","CN(C(=O)Cc1ccc(Br)cc1)C(C(O)=NC(C)(C)CC(C)(C)C)c1ccccc1O"]
["76434507","COC(=O)c1cnc(CN=C(O)OC(C)(C)C)s1"]
["198435020","N#Cc1cc(-c2ccccc2)cc2c1C(=O)N(C1CCC(O)=NC1=O)C2"]
["12970061","COc1ccc2nc(N=C(O)[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3)sc2c1"]
["175352224","CCCN=C(O)CN(CCN(C)C(=O)CN1CCOCC1)S(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1"]
["167342286","C[C@@]12CCCC[C@H]1CC1(CC2)OCCO1"]
["7649538","COc1ccc(-c2csc3ncnc(SCC(=N)O)c23)cc1"]
["26530620","Nc1ccc(CC(=O)N2CCC2)cc1[N+](=O)[O-]"]
["12291626","Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCc1cc2cc(Br)ccc2o1"]
["34301175","Cc1c(C(=N)O)c(=O)oc2cc3c(cc12)[nH]c(=Nc1cccc(I)c1)n3CCc1ccc(Br)cc1"]
["97414210","CCCCCCCCCCCCc1ccccc1OC(CCC)OC(=O)C(C)[N+](C)(C)Cc1ccccc1"]
["MCULE-8322219638","CC(C)(C)OC(=O)N1C(=O)CCC1C(O)=Nc1ccc2nccnc2c1-c1cncnc1"]
["170717973","O=C(O)COCCCCCN=C(O)OCc1ccccc1"]
["55297689","CC(N=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1"]
["134557745","CCN(C1CCCC1)S(=O)(=O)c1c(C)cccc1F"]
["60626371","CCC1(CC)CC2(CC(C)(C)N1OC(C)c1ccccc1)OCC(C)(C(=O)OC)CO2"]
["77531903","COc1ccc(C[NH+](C)Cc2ccccc2Cl)cc1OCC(O)CN1CC[NH+](C)CC1"]
["MCULE-2051681694","CC(C)(C)OC(=O)N1CC2CC1CN2C(=O)c1ccc(-c2ccc(N3CCCC3)nc2)cc1"]
["116871122","OC[C@H](Cc1ccc(O)cc1)N=C(O)CC1=CCCCC1"]
["103020917","C[n+]1cn(C[Si](C)(C)C)c2cc([N+](=O)[O-])ccc21"]
["163211833","COC(=O)c1c(CBr)c(Br)cc2ccsc12"]
["MCULE-1843231734","COc1ccc(F)c(-c2cncc(C(=O)Nc3c(C#N)cnn3C)c2)c1F"]
["132153961","CCn1cc(N=C(O)C=C(C)C2CC2)cn1"]
["183417738","CCCCCCCCOc1ccc(NS(=O)(=O)c2cc(C(C)(C)CC(C)(C)C)ccc2OCCCCCCCC)cc1N=[N+]=[N-]"]
["27223811","COc1nc(=NC2CCN(C(=O)c3ccccc3)CC2)[nH]c(=Nc2c(C)cc(C)cc2C)[nH]1"]
["31172808","Cc1cc(C)c([C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](C)N=C(O)C(C)(C)C)cc1C"]
["83513547","CCN1c2ncc(CCOc3ccc(C=C(C)C(=O)O)c4ccccc34)cc2C(O)=Nc2c(C)ccnc21"]
["MCULE-5270430551","Cc1ccc(OC(O)=NS(=O)(=O)c2ccc(CN=C(O)C=Cc3cccc(F)c3)cc2)c(C)c1"]
["MCULE-8475017377","COCCOc1ccc(-c2ccc(N=C(O)c3ccc(C)c(OC)c3)nc2C)cc1"]
["165543141","COc1cc(OC)cc(C2(O)CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)c1"]
["4965807","CN(C)c1ccc([C@@H](CN=C(O)C2CC2)N2CCN(c3ccc(F)cc3)CC2)cc1"]
["147587239","CCOC(=O)c1cnnc(-c2ccc(OC)c(OC)c2)c1"]
["32703276","CC(C)(C)OC(=O)N1[C@H]([C@@H]2C[C@H]2c2ccccc2)COC1(C)C"]
["25818263","CCN(C=Cc1ccccc1)c1cccc2c1ccc1ccccc12"]
["MCULE-9083535433","Cc1csc(C(=O)N2CCc3cc(-c4cnn(C5CCCCO5)c4)ccc32)c1"]
["26258998","CC(C)C(=O)CCc1ccsc1CO[Si](C)(C)C(C)(C)C"]
["880949","COc1ccc(Cn2c(S)nc3ccccc32)cc1"]
["103748113","CNS(=O)(=O)c1cc(C(O)=N[C@@H](C)c2ccc3c(c2)OCCCO3)ccc1OC"]
["5414405","Cc1cc(C)cc(N=C(O)COc2cc3oc(=O)c(C)c(C)c3cc2Cl)c1"]
["166988825","O=C(NC1CCN(Cc2cccc(-c3cccs3)c2)CC1)c1ccc(Cl)cc1"]
["174709701","CC(C)N(CCO)CCCOc1ccccc1C(F)(F)F"]
["96737043","CC1(C)C2CC[C@@]1(C)C(=O)C21SC2(C(=O)[C@]3(C)CC[C@H]2C3(C)C)S1(=O)=O"]
["119601322","COc1ccc(S(=O)(=O)NCC(O)=NCCc2ccc(Cl)cc2)cc1C"]
["17208652","CO/N=C/c1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1"]
["166187954","CCN(CC(O)=Nc1c(Cl)cccc1Cl)C(=O)C(C)N=C(O)c1ccccc1"]
["152394880","CCOc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)sc2CC(=O)O)cc1"]
["198346018","Ic1ccc(N(c2ccc(I)cc2)c2ccc3c(c2)Cc2ccccc2-3)cc1"]
["190292937","CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc(C(C)(C)c4cccc(N5ON(c6ccccc6)c6ccccc65)c4)cc32)c1"]
["131223385","CCc1nsc(N2CCCN(CCCOCC(F)(F)F)CC2)n1"]
["42056833","CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)/C(=N\\OC2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O"]
["12378038","CCOC(=O)C1=C([O-])/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)S/C1=N\\c1ccc(CC)cc1"]
["MCULE-7501955287","Cc1c[nH]ccc1=NC(=O)c1ccc(-c2ccc(C(CCN(C)C)c3ccccn3)cc2)c(F)c1"]
["MCULE-2833641913","COc1ccc(-c2cnc(N=C(O)COc3ccc(C(C)=O)cc3)c(C#N)n2)c(F)c1"]
["MCULE-1692702759","O=C(c1cc(C2CC2)[nH]n1)N1CCCN(Cc2ccc(Cl)cn2)CC1"]
["MCULE-6543440494","COc1cc(C)c(-c2c(C)cccc2N=C(O)c2cn(CCF)c3c(F)c(N4CCN(C)CC4)c(F)cc3c2=O)c(C)c1"]
["75307815","O=C(O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](O)O[C@H]([CH]O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1"]
["172472665","O=C(O)C(CCCCN=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)N1C(=O)CC(S(=O)(=O)O)C1=O"]
["89368647","O=C(O)CC1CCc2nccn2C1"]
["57600923","CCNC(c1ccoc1)c1ccc(Br)cc1C(F)(F)F"]
["MCULE-4490538060","COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)C2c2ccc3cc[nH]c3c2)cc1OC"]
["164341731","C1=C(c2cccc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6N(c6ccccc6)c6ccccc64)c4ccc6ccccc6c4-5)cc3)c2)NC(c2ccccc2)=NC1c1ccc(-c2ccccc2)cc1"]
["191519197","C=C(CO[Si](C)(C)C(C)(C)C)C(=O)OCCCc1cc2c(OC)c(c1)Cc1cc(CCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)cc(c1OC)Cc1cc(CCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)cc(c1OC)Cc1cc(CCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)cc(c1OC)C2"]
["153403066","CCN(CC)CC(O)=N[C@H]1C[C@H](c2ccccc2)Oc2c(C)c(C)c(O)c(C)c21"]
["144688412","Cn1nc(N)c(CN)c1N"]
["120418232","CC(C)n1ccc(-n2cc(C(=O)O)c(O)nc2=O)n1"]
["21201446","CC(C)C1=NO[C@@H](C[NH2+]C[C@@H]2C=NN=C2c2ccc(F)cc2)C1"]
["173805319","CC(C)(C)NCCO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](CO)[C@H](O)C2O)[C@H](O)C1O"]
["55203109","N#C/C(=C\\c1ccco1)C(=O)OCC(O)=NC1(C#N)CCCCC1"]
["169176644","OC1=NC(c2cccc3cc[nH]c23)C(O)=N1"]
["58255038","CCOC(=O)C(CN(C)CC(C)C)(NC(C)C)C1CC1"]
["87951838","CCCOc1cccc(-c2cc(CNCC)c(=O)n(C)n2)c1"]
["113633466","CC1CC(C(=O)N(CC(=O)O)CC(F)(F)F)CCN1"]
["130650179","CCN(CC(O)c1ccc(C)cc1)C(=O)C1CC1c1cccc(F)c1F"]
["85434620","OC(c1ncccn1)C1CCOC2(CCSC2)C1"]
["162853022","Cn1nnc(C(NN)C2CCCS2)n1"]
["20101365","CC(C)(C)c1ccc2oc([S-])nc2c1"]
["21422981","CCN(CC)c1ccc(/C=C2\\Oc3cc(OC(=O)[C@H](C)Oc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)cc1"]
["95321448","CCOCc1nc(NN)cc(NCCC(=N)O)n1"]
["10521633","CC(C)(O)CN1CCN(C(=O)c2cnc(C3CC3)s2)CC1"]
["90596946","CCCCCCC(O)=NC(Cc1ccc(O)cc1)C(O)=NCCCNCCCNCCCNCCCCN"]
["MCULE-2373354263","O=C(C1CCCN1C(=O)C(F)(F)F)N1CCOc2ccc(N=C(O)C3CC3)cc21"]
["88211207","Cc1cc(C(=O)N2CCNC[C@@H]2C)n[nH]1"]
["120576900","CN1CCC(N2CC(CN)OCC2=O)CC1"]
["32268083","O=C(O)c1cccc(CC(C(=O)O)C(O)=NO)c1"]
["48578894","CC(C)c1c(C(O)=Nc2cccc(-n3cccn3)c2)cnn1-c1cccc(Cl)c1"]
["126345792","CC(C)(C)OC(O)=NCC(N=C(O)COc1ccc(F)cc1Cl)C1CC1"]
["89792017","CCOC(=O)c1ccccc1NC(O)=NC1CCC1"]
["5118127","CC(C)N=C(O)N1CCC[C@@H](c2cccc(C(O)=NC3CC3)c2)C1"]
["79975942","Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(-c2cccc(C(F)(F)F)c2)s1"]
["175694126","CCC(C)c1cccc(N=C(O)CN(C)C(=O)OC(C)(C)C)c1"]
["19835833","COC(=O)[C@H]1CCCN(Cc2[nH+]nc3n(C)c(=O)c4ccccc4n23)C1"]
["121841390","CC(C1CC1)n1nccc1NC(O)=NCC1CSCCS1"]
["144792763","CC1(C)COC(C2CCCS(=O)(=O)C2)N1.Cl"]
["118417271","CCOCc1ccc(CNC(=NC)NCC2CCCN(C)C2c2cccs2)cc1.I"]
["173840470","COC(=O)c1ncn([C@H]2C[C@H](OC(=O)c3ccc(Cl)cc3)[C@@H](COC(=O)c3ccc(Cl)cc3)O2)c1C"]
["171861571","CCO[Si](CCCNc1ccccc1)OCC(C)(C)C"]
["15030559","Cc1nnc(SCc2nc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cs2)n1-c1ccccc1"]
["127556982","OC(=NCc1ccc(O)c(F)c1)C1CC1C1CCCCC1"]
["67926770","O=C(NCCCN1CCc2ccccc2C1)c1ccc(Cl)s1"]
["MCULE-8069946607","COc1ccc(CN2CCN(C(=O)C(C)N=C(O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)c(OC)c1OC"]
["161392188","c1ccc(-c2ccc(-c3nc(-n4c5ccc6ccccc6c5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)nc4sc5ccccc5c34)cc2)cc1"]
["103452432","C[C@H](NC1CC1)c1cc(O)ccc1O"]
["119953735","CCN(C(=O)c1ccncc1O)C(C)CN(C)C"]
["114626666","CCN(C(=O)C1CCC(C(=O)O)C1)c1cc(O)ccc1C"]
["141593112","Cc1noc(-c2ccc(C(=O)OCC3CCOc4ccccc43)cc2)n1"]
["MCULE-3952090611","C#CCOc1cn(CCCN2CCCC2=O)c(CN(CCC)CCC)cc1=O"]
["9710853","COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1OC"]
["124129389","O=C(c1ccnc(Br)c1)N1CCC2C(CCCN2C2CC2)C1"]
["184770451","[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cncc(-n2c3ccccc3c3ccccc32)c1"]
["121106013","Cc1cc(C)c(C(O)=Nc2ccc(NC(=O)CN3CCOCC3)cc2)o1"]
["74691233","COC(=O)Cc1cc2ccc(Cl)cc2c(-c2ccc(NS(=O)(=O)c3ccccc3C)cc2)c1C"]
["106045619","C=CC[C@H]1CCCC[C@@H]1NC"]
["54882454","CCOc1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1Cl"]
["124881630","Cn1nccc1C1CCN(CC=Cc2ccc(Cl)cc2)CC1"]
["60915234","OC(COc1cccc(F)c1)CN1CCNCC1"]
["46272007","CC[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](CCC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(C)O)[C@@H](C)CC)C1CCCCC1)C(=O)O"]
["135582481","CC(C(=O)N(C)C1CCCCC1)N1CCC(CN=C(O)c2cnn(C)c2)CC1"]
["193399950","CC(c1cccc(CN=CC(=NN)c2cc(-c3cccc(C#N)c3)[nH]c(=N)n2)n1)N1CCC(C(=O)O)C1"]
["3148348","O=C([O-])c1cc(=O)c2cc(Cl)ccc2[nH]1"]
["139150900","CC1(N=C(O)Cc2c[nH]c3ccccc23)CCN(C(=O)OC(C)(C)C)CC1"]
["156012567","COc1cc([C@@H]2[C@H]3CO[C@]4(O)[C@H]3C([C@H]3Oc5cc(O)cc(O)c5C(=O)[C@@H]3O)=C[C@H]2[C@@]42N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O"]
["122879837","CSC1CCCCN(CC(C)(O)c2ccc(S(C)(=O)=O)cc2)C1"]
["82232284","COc1cccn(C(C)(C)C)c1=O"]
["113190287","NCCCNC1(CO)CCOCC1"]
["MCULE-7215281871","CCCC(N=C(O)CCCOc1ccc(C(C)(C)C)cc1)C(O)=NCCc1cccs1"]
["8429170","Cc1ccc(C)c2sc(N(C)CC(=O)Nc3ccc(Nc4ccccc4)cc3)nc12"]
["29258124","COC(=O)[C@]1(CCCN2CCN(c3ccccc3)CC2)Sc2cc(OC)ccc2OC[C@@H]1O"]
["5896619","CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1"]
["MCULE-6252616380","CCCC(N=C(O)c1ccccc1OC)C(=O)N1CCCC1c1ccc(C(C)(C)C)cc1"]
["173204210","CC12CCCCC1CCC1C2CCC2(C)C(CCCCO)CCC12"]
["27610270","NC1(c2ccc(-c3nc4ccn5c(CN6CCCC(CO)C6)nnc5c4cc3-c3ccccc3)cc2)CCC1"]
["84241888","CC(O)=Nc1ccc(CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1"]
["109923535","CCOC(=O)c1cc(-c2ccccc2)sc1N=C(O)[C@@H](C)N1CCC[C@H](CN=C(O)C(C)C)C1"]
["29944127","COc1ccc(C2(C#N)CCc3[nH]c(=N)nc(O)c3C2)c2c1oc1ccccc12"]
["150887944","COc1cccc(N2C(=O)CN(CCC3=CCCCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1"]
["111658598","CCCN(CCC)C(=O)c1cc([N+](=O)[O-])cc(C)c1F"]
["175269948","C/C=C(Br)\\C=C/Cc1cccnc(CNCCC)[nH]cc1"]
["136536229","Cc1cc(C)n(-c2ccccc2N=C(O)[C@@H](C)c2ccccc2)n1"]
["31941872","COc1ccc2ccc(S(=O)(=O)N[C@]3(Cc4ccc(C#N)s4)CCN=C3O)cc2c1"]
["174814846","CC(=O)O.CCC(=O)OC1(C(c2ccccc2)c2ccccc2)CNC1"]
["65635196","CCCN=C(O)CN(C)C(=O)CN1CCN(C(=O)OCC(C)C)CC1"]
["MCULE-9866707051","Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccc(Cl)cc2)cc1F"]
["155019075","Cc1ccc(C=NN=C(O)[C@@H](C)Oc2ccc(Cl)cc2)o1"]
["31328186","COc1ccc2nc(OC)c(N=C(O)N3CCN(c4ccccc4F)CC3)nc2c1"]
["MCULE-9712303945","COc1cc(N=C(O)C=C(C)c2ccccc2)c(OC)cc1Cl"]
["194846516","CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O)c1ccccc1"]
["31229829","CCCN=C(O)C1c2ccccc2-c2cc(C(CC)c3ccccc3N3Cc4ccccc4C3=O)ccc21"]
["126781574","Cc1ccc(N=C(O)NC2CCC(=O)N(C)C2)cc1OCCC(C)C"]
["170125854","O=C(Oc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F)c1cc(I)cc(I)c1"]
["161284386","C=Nc1ccccc1N(CCN1CCN(C(C)c2ccc(F)cc2)CC1)CSCC(=C)Nc1ccc(N)cc1Cl"]
["23406380","N=C(O)c1cc([N+](=O)[O-])ccc1N1CCNCC1"]
["MCULE-8172009460","CC(C)(C)OCC(O)=Nc1cc(-c2ccc(C#N)c(F)c2)ccn1"]
["15162237","O=c1c([N+](=O)[O-])c([O-])ccn1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]
["108673353","CN(C)CCCN(C(=O)/C=C/c1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1"]
["88218575","CCCCCCC(C)NOCC(F)(F)F"]
["190728446","C[C@H](c1ccccc1)N1C[C@]2(C(=O)O)CCC[C@]2(Cl)C1=O.C[C@H](c1ccccc1)N1C[C@]2(N=C(O)OC(C)(C)C)CCC[C@]2(Cl)C1=O"]
["166342460","Cc1sc2ncnc(N3CCC(C(O)=NCCc4cccc(F)c4)CC3)c2c1C"]
["58224259","CC(=O)[C@H](C)NO"]
["32413847","COC(=O)c1cccc2nc(CCCN(C)CC[C@]3(O)C[C@H]4CC[C@H]3C=C4c3ccccc3)[nH]c12"]
["161110788","CCCCCCCCCCc1c(O)cccc1C(=O)c1ccccc1"]
["47750057","OC(=NCCc1ccc(Cl)cc1)c1cccc(Oc2ccccc2)c1"]
["148507045","C[C@@H]1[C@H](C(=O)O)CCCN1Cc1ccc(Cl)c(Cl)c1"]
["169722528","COCOc1c(-c2nc(C(N)=O)c3cc(N4C[C@@H](C)N(C(=O)O)[C@@H](C)C4)ccc3n2)cc2cn(C)nc2c1C"]
["174993224","C#C.C/C=N\\N(C)c1nc(N(CCC)CCC)nc(NCC(=C/CC)/C(C)=C\\C)c1C.CCCO"]
["163330242","COc1cc(C(C#N)CN)cc(F)c1Cl"]
["62301529","Cc1sccc1-c1cnc(Cl)cc1C(=O)O"]
["67101822","CC1CCCC2(C1)C(O)=NC(=O)N2CCCC(=O)N(C)C"]
["54056957","OC(CSc1nc(-c2ccc(Cl)cc2)cs1)=N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1"]
["196374862","C.Cc1cnc2c(c1)C(=O)OC2"]
["12637088","O=C(NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccco1"]
["141058068","Cc1nc(CS(=O)(=O)C(C)C(=O)N2CCC(C)CC2)sc1C"]
["31358853","C[C@@H](CCC(C)(C)C)[C@@H](C(=O)O)N1CCN(Cc2cccc(COC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)C1=O"]
["140344938","CCOCCON=C(O)C1(c2ccc(Cl)cc2)CC1"]
["159988775","CCN1CC(C)N(C(O)=NCC2CCN(c3ccncc3)CC2)CC1C"]
["100683761","O=C(O)c1ccc(Cn2ccc3cc(C4=CCOCC4)cnc32)cc1"]
["174765218","Cc1ccc(C(O)=NC2CC2)cc1NC(=NC=N)c1[nH]cc(C(=O)N(C(=O)OCOC(=O)c2ccc(O)cc2)C2CC2)c1C"]
["MCULE-4716272110","COc1ccc(C=C(C(=O)NCCCCCc2nc3ccccc3[nH]2)c2ccccc2)cc1"]
["28427202","CC(Cc1ccc(OCC(=O)O)cc1)NCC(O)c1csc(C(C)C)n1.Cl"]
["169661156","CC(O)=NCCN(CCN=C(C)O)c1ccc(S(=O)(=O)O)cc1"]
["174433153","C=c1ccccc1=C1C=CC=C(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)[N-]1.[Pt+2]"]
["MCULE-9640242029","OB(O)c1cc(C(O)=NC[C@@H]2CCCO2)cc(F)c1F"]
["149079882","COc1ccccc1S(=O)(=O)Nc1cc(C(C)c2ccccn2)c2c(c1)C1(CCC1)C(O)=N2"]
["146545033","N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1C(F)(F)F"]
["5490862","Cc1ccc(CN=C(O)Cn2nc(-c3nc(-c4ccccc4)no3)ccc2=O)cc1"]
["74985361","Cc1cc(Br)ccc1C(=O)Br"]
["103006696","C[C@H](OCc1ccccc1)[C@H](C[N+](=O)[O-])c1ccccc1"]
["52674490","CCCn1ncnc1CSc1nnc(CN)n1CC"]
["190372055","C[N+](C)(C)CCCCCCCCCCCCI"]
["116119693","OC(=NCc1ccccc1Cl)c1cncc(N2CCC3(CC2)OCCO3)c1"]
["152088706","COc1ccc(N=C(O)C(=O)Nn2c(C(=O)Nc3ccc(C)cc3)cc3cc(Br)ccc32)cc1"]
["46157171","CC1C(CN(C)C(C)c2ccccc2)OC(c2ccc(NC(=O)CCCC(=O)O)cc2)OC1c1ccc(CO)cc1"]
["175217895","CNC(C)C#Cc1ccc(N2CCCCC2)nc1"]
["126212104","CC(CCc1ccc(O)cc1)N=C(O)CS(=O)(=O)C1CCCC1"]
["127808979","CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(O)=NCC(C)C(C)C"]
["2442660","COc1ccc(C(=O)N(C)C)cc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2"]
["118546513","CN=C(NCC(c1cnn(C)c1)N(C)C)NCC(c1ccccc1)N1CCCC1.I"]
["18410760","CCCN=C(O)N(CCOC)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1"]
["170601900","CC.CC(C)(C)OC(=O)N1CC2(CCCC2=O)C1"]
["86931100","CCOc1cccc(N)c1C(O)=NCC(C)CO"]
["134017147","O=C(Nc1ccccc1N1CCC(O)CC1)c1cc2c(F)cccc2[nH]1"]
["57782886","COc1cc(/C=C2\\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Cl)c1OC"]
["83766931","O=C1N=CN=C(OCC(O)=NC2CCCCC2)C1[N+](=O)[O-]"]
["163502798","CCC1=CC(c2ccccc2)N(C(C)(C)[C@H]2c3ccccc3C3=CC=C(C)CN32)C=C1c1ccccc1"]
["172543817","N=c1nc2ccncc3c[nH]cc3c-2n1"]
["34413347","CN(C)C1=NC(O)c2nnc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2N1"]
["127663591","CC(=O)C(C)CCCCC(O)=NCCC1=CCCCC1"]
["186893757","CN(C(=O)C1CN(C2CCCCC2)CCC1N=C(O)c1cc(-c2ccc(F)cc2F)on1)C1CC1"]
["85614632","CCNCc1ccc(OCc2cccc(O)c2)cn1"]
["66712991","CC(O)=Nc1cccc(N=C(O)CN=C(O)C2CCN(C(C)C(O)=Nc3cc(C(=O)N4CCOCC4)ccc3C)CC2)c1"]
["174550867","CCCN(CC)CCCOC/C=C/c1ccc(F)c(OC)c1"]
["114104529","CCCc1[nH]nc(C(=O)N[C@@H](CC)CO)c1N"]
["MCULE-2376915171","COc1c(F)cccc1-c1c(F)cccc1N=C(O)C1COc2ccccc2O1"]
["148347136","Cc1cccc(C(N=C(O)c2ccnc(OC3CCOC3)c2)C(=O)O)c1C"]
["139458285","CN(C)C(=O)CC1CCN(C(O)=Nc2c(F)cc(F)cc2F)CC1"]
["106534559","CN(C)c1cccc(-c2nnc(S[C@@H]3CCCCN=C3O)n2N)c1"]
["29388273","CN(C(=O)OC1CCOCC1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)cc1"]
["76055840","COc1ccc(CN2[C]=CC=C(Cc3ccc(OC)c(OC)c3)C2)cc1"]
["16432299","CC1(C)CC(N(Cc2cccc[nH+]2)C(S)=NC2CCCCCCC2)CC(C)(C)N1"]
["179862983","CCN(CC)CCOc1ccc(/C(=C(/[ClH+])c2ccccc2)c2ccc(O)cc2)cc1"]
["95499931","Cc1cc(C(CN)N2C[C@@H](C)O[C@@H](C)C2)c(C)s1"]
["138608922","COc1ccc2nc(CNC(C)c3cccs3)sc2c1"]
["155911698","Cc1cc(=NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]o1"]
["MCULE-1862944420","COc1ccc(-c2cc(C)cc(F)c2)cc1CC(O)=Nc1ccc(C)nc1"]
["200348733","C=C(C)c1ccc2c(=O)c(CCO[Si](C(C)C)(C(C)C)C(C)C)nn(CC)c2c1"]
["22668149","CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1"]
["119590703","O=C(Cc1ccc(F)cc1)Nc1ccc(NCCc2ccccc2)cc1"]
["176726055","CO[C@@H](CCC(C)C)[C@@]1(O)C(O)=C(C(=O)C(C)C)C(=O)C1CCC(C)C"]
["MCULE-9286327302","COc1ccc(-c2cc(C(=O)N(C)c3ccc(-c4cccc(S(C)(=O)=O)c4)cn3)ccc2C)cc1"]
["164677969","CN(C)C(=O)c1ccc(OCCCCC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc1Cl"]
["19280509","COc1ccc(/C=C/C(O)=Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1"]
["183741495","CCCC(CCC)C1(C)N=C(c2ccc(OC)cc2CC)C(C)=NC1N"]
["MCULE-1748687716","CC(=O)N1CCCC1C(O)=Nc1ccc(-c2cnc(F)c(C)c2)cc1F"]
["127343958","CCC(C)c1ccccc1OCC(O)=NN=C(O)Cc1nc2ccccc2n1C"]
["158026542","CC(C)c1ccc(N=C=O)cc1.CN=C(O)Oc1ccc2c(c1)CCN2Cc1ccccc1"]
["45650023","CC(N)=CC(=O)CC(O)c1ccccc1"]
["48534868","O=C1OCC2C=CC(COCc3ccccc3)N12"]
["11796986","CC(C)Oc1ccc(F)cc1N=C(O)CCN=C(O)C1CCCCC1"]
["161060026","Cc1ccncc1CN=C(O)N1CC2CCC1CN2"]
["93539506","Cn1nncc1C(=O)C(F)F"]
["107024215","CCOC(=O)[C@@H](NC)c1cnc(N(C)C)nc1"]
["32257922","Nc1c(Br)cc(C[C@H](N=C(O)N2CCC(N3Cc4ccccc4N=C3O)CC2)C(=O)N2CCC(C3CCN(CC4CC4)CC3)CC2)cc1Br"]
["MCULE-4258393965","Cc1ccc(C(=O)N2CCc3cc(-c4c[nH]nc4C)cnc32)c(C)c1"]
["105611426","CCc1ccc([C@@H](N)[C@H]2CCCCO2)s1"]
["MCULE-3895528895","COCc1ccc(C(=O)N(C)C2CCN(Cc3ccc(OC)nc3)CC2)cc1"]
["104511813","CCn1c2ccccc2c2cc(/C=C3/CC[C@H](C4CCCC4)C3=O)ccc21"]
["191040415","O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1ccc(NC(O)=NCc2cccnc2)cc1"]
["140205157","C#CCN=C(O)C1CC(=O)N(C(CC)CC)C1"]
["MCULE-3254599641","N#CC(=CN1CCC(C(=O)O)CC1)C(=O)N(CCO)CCO"]
["192691387","C=COC(=O)C(C)CC(=O)OC(C)(C)C"]
["29134081","Cc1c(Cc2cnc(S(=O)(=O)c3ccccc3)o2)c2cc(F)ccc2n1CC(=O)O"]
["133488705","Cc1cc(CN=C(O)Cn2nc(C)c(Cl)c2C)ccc1F"]
["64396952","Cc1ccc(NC(S)=NC(C)c2ccc(C(C)(C)C)cc2)cc1C"]
["152299558","C#CCOc1ccc(/C=C(\\C#N)C(O)=Nc2cccc([N+](=O)[O-])c2)cc1"]
["151591119","CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(O)=NCC(C)C)S(=O)(=O)c1ccccc1"]
["97890147","Cc1ccc(C2=CC(c3ccc(C)cc3)=C(c3ccc(C)cc3)C2)cc1"]
["138036693","Cc1ccc(C(O)=N[C@H](CO)Cc2ccc(O)cc2)c(O)n1"]
["32254429","C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\\C(=O)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C1)O2"]
["109892704","CCOC(=O)C1=C(CN2CCC(C(O)=N[C@@H](C)C(C)C)CC2)N=C(O)N[C@@H]1c1ccccc1"]
["126955905","CC(N=C(O)CN=C(O)CC1CCCCC1)c1ccc(N2CCCC2=O)cc1"]
["122122208","Cc1nc(N2CCN(CC(O)COc3ccc(C#N)cc3)CC2)sc1C"]
["111227368","Cc1cc(Br)ccc1C(=O)Cc1cccc(Cl)c1F"]
["MCULE-6855597909","CSc1cccc(-c2ccc3oc(=O)c(C(=O)N4CC(=O)C4)cc3c2)c1"]
["157267437","Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N([C@@H](C)CCc2ccccc2)[C@H]4C(O)=NC2CCCCC2)cc1C"]
["56470778","Cc1ccc(S(=O)(=O)Nc2ccccc2C(=N)S)cc1C"]
["145207384","O=C(O)N1CCC(c2cc(=O)n3[nH]c4ccc(Br)cc4c3n2)CC1"]
["179484819","CCCC(CC(O)=NS(=O)CC)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccc(C)cc21"]
["154747918","O=C(C=Cc1ccc[nH]1)OCc1cccnc1"]
["114437199","N#Cc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1"]
["17038773","O=S(=O)(NCCOc1ccccc1)c1c(Cl)cccc1Cl"]
["MCULE-6912489818","CC1CCN(CCC(=O)c2ccc(OC(=O)c3cccc(Br)c3)cc2)CC1"]
["12184980","COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[C@H]2c2ccc(F)cc2)cc1"]
["MCULE-2468771473","CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(F)cc1"]
["55746749","CSc1ccc(Cl)c(C(O)=NN=C(O)c2cn(C)c3ccccc23)c1"]
["65419796","C=CCN(Cc1[nH+]cc(-c2ccc(F)cc2)o1)Cc1ccccc1F"]
["MCULE-9765376340","CN(C(=O)c1ccc2nccn2c1)c1ncc(-c2cccc(C(=O)N3CCOCC3)c2)cn1"]
["31362118","CCOc1ccc(Cc2cc([C@@H]3O[C@H](COc4cccc(C(=O)O)c4)[C@H](O)[C@@H](O)[C@H]3O)ccc2Cl)cc1"]
["190550519","CC(C)N1CCCC(C)(Nc2nc(-c3ccncc3)c(-c3ccc(Cl)c(Cl)c3)c3nncn23)C1.CC1(C)CCCCC1.Clc1ccc(-c2c(-c3ccncc3)nc(Cl)n3cnnc23)cc1Cl"]
["100789980","CSc1ncccc1C(=O)NCc1nnc2c(-c3nc(C)no3)cccn12"]
["52214352","N#Cc1ccc(C(=O)NCCBr)nc1"]
["109732341","Cc1ccc(OCc2nnc(SCC(O)=Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)n2-c2ccccc2)c(C)c1"]
["61161433","CC(O)=Nc1ccc(NC(=O)c2ccc(F)cc2)nc1"]
["144982445","COc1ccc(C2(CN)CCCCC2)c(O)c1OC"]
["131123332","O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)OCc1ccsc1"]
["56909286","CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(B(O)O)ccc3-c3ccc(B(O)O)cc31)c1cc(OCC(C)CC)c(OCC(C)CC)cc1-2"]
["196139199","CCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC(CCCCCC)CCCCCCC(O)=NCC(=O)O"]
["170575449","CN=CNCNc1ccc(C(=O)N2CCN(CCCSC(C)(C)[C@H](C)C(=O)N3CCC[C@H]3C(O)=NCc3ccc(-c4scnc4C)cc3)CC2)cc1OC"]
["31418649","Oc1cccc(C2=CC=NC(N3CCOCC3)N2Nc2cccnc2)c1F"]
["120177505","CC(C)C1CSC(=NCC(O)=NC(C)(C)C)N1"]
["83765028","CCCCN(Cc1ccc(Br)cc1)CC1N=C(O)C2CCCCC2N1"]
["161778566","C=C(C)C[C@H](c1ccccc1)[C@@H](O)CCCC"]
["76310528","COC(=O)c1ccc(-c2ccc(CCN(CC(O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)c(C)c1"]
["28681855","CCC(CC)Nc1nc(C)nc(Nc2c(C)cc(C)nc2C)c1N"]
["170341985","Cc1ccncc1-c1cc2cc(N=C(O)[C@H]3C[C@@H]3c3cccnc3)ncc2c(N)n1"]
["MCULE-6557584301","COC(=O)C[C@@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=Nc1cc(OC)cc(OC)c1"]
["155742862","Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1"]
["32853575","NC(=O)C1=NC(Cc2ccc(OCC(=O)O)cc2)N=C1N=C(O)Nc1ccc(F)cc1"]
["196407747","O=c1oc2ccccc2c2cc3sc(O)nc3cc12.[HH]"]
["MCULE-7735274042","COc1cc(-c2cccc(SC)c2)cnc1N=C(O)c1cocn1"]
["175780077","CCC(c1ncc[nH]1)c1c(N2C=CC=C(C(F)(F)F)C2N)nn2c1[C@]1(CCNC1)CC2"]
["MCULE-3416956518","Cc1cc(C)c(-n2nc(C=NO)cc2C2CCCC2)c(C)c1"]
["122191329","CS(=O)(=O)c1ccc(F)c(N=C(O)C(c2ccccc2)C2CC2)c1"]
["81068353","COc1cccc(S(=O)(=O)N2CCCCN3C(CO)C(c4ccc(-c5ccncc5)cc4)C3C2)c1"]
["101009109","O=C/C=C\\C(F)F"]
["MCULE-9076750141","CCCOc1ccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1"]
["MCULE-8647822665","C=CCN(C(=O)c1ccc(Br)cc1)C1CCC(C)CC1"]
["48666051","O=C(c1ccoc1)N1CCC(N=C(O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1"]
["132445533","Cc1ccc(N(C)CC(O)=Nc2cc(S(N)(=O)=O)ccc2C)cc1Cl"]
["194943560","CN1CC[C@@]23C(=O)C[C@@H]4C(=CCO[C@@H]5CC(=O)N(c6ccccc62)[C@@H]3[C@@H]45)C1"]
["90414041","CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)C2C=CC=NC2=O)cc1"]
["10378314","C=CCc1cc(/C=C2\\SC(=Nc3cc(Cl)ccc3OC)N=C2O)cc(OCC)c1O"]
["MCULE-7342372555","Cc1ccc(OCC(C)C)c(NC2=C(c3ccccc3Cl)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)c1"]
["49270815","O=Cc1c(Br)cccc1OCc1ccc(C(F)(F)F)cc1"]
["106863581","COC[C@@H]1CCCN(C(O)=N[C@@H]2CCCC[C@@H]2OC)C1"]
["112986638","CSC1(CNS(=O)(=O)c2ccc(CNC3CC3)cn2)CC1"]
["SN0188958","CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C"]
["104318135","CCCOc1ccc(C(=O)N/N=C\\c2cc(C)n(-c3ccc(C)cc3)c2C)cc1"]
["186363065","CC1=C(c2cncc3oc4ccc(-c5cccc6ccccc56)cc4c23)NC(c2ccccc2)=NC1c1ccccc1"]
["133285969","CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CCC(CN)C3)cc(C3CC3)nc21"]
["45563666","COc1ccc2c(C(O)=NN/C=C3\\C=C(Br)c4ccccc4C3=O)cccc2c1"]
["5626201","CC(C)CCOc1ccc(N2CC[C@H](CO)C2)cc1"]
["138594190","Cn1cc(CNC(=O)C(=O)Nc2cccc(C(=N)O)c2)c(-c2ccccc2)n1"]
["MCULE-9461267782","CCOc1cc(-c2ccc(NC(=O)C(CC)CC)cc2)ccc1F"]
["MCULE-7928174655","CC(O)=Nc1cccc(NCc2cc(=O)c(OCCc3ccccc3)cn2CCCCCO)c1"]
["171597539","O=Cc1cnc(Cl)[nH]c1=NC1CC1"]
["2810939","CCOc1ccc(F)cc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1"]
["180300324","COc1ccc(CN2CON=C2/C=C/c2ccc(-n3cnc(C)c3)c(OC)c2)cc1"]
["MCULE-4466587260","COc1cc(C(O)=Nc2ncc(-c3ccc(F)nc3C)cc2F)ccc1F"]
["178091022","COC(=O)c1cccc(N=C(O)c2ccc([C@@H](C)[C@@]([O-])(C3=CC(I)[N-]C=C3)C(F)(F)F)c(C3C[I+]3)c2)c1"]
["95181650","CCCN=c1cc(NCc2ccc(Cl)cc2)cc[nH]1"]
["109231982","C=CCOc1c(Br)cc(/C=N\\N=C2N=C(O)[C@@H](CC(=O)Nc3ccc(OC)cc3)S2)cc1OCC"]
["138553449","C#CCCCCC(O)=NC1CCN(S(=O)(=O)CCC)CC1"]
["188328275","CCC[C@@H](N=C(O)C1(C)CSC(/C(C)=N/O)=N1)c1cc(OCCOCCOCCOCC)cc(=O)o1"]
["134691847","CN(C)C(CNC(=O)c1cc(C(=N)O)c[nH]1)C1CCCCC1"]
["MCULE-5221879283","Cc1c[nH]cc(-c2ccc(C(C)(C)C)cc2)c1=NC(=O)C1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21"]
["127645577","CC(C)N1CCC(C(O)=NC2CCCOc3cc(F)ccc32)CC1"]
["MCULE-2390300364","Cc1ccc(C(O)=Nc2cncc(-c3cc(F)c(F)cc3F)n2)cn1"]
["117698750","CCC(C)NC(=NC)NCc1ccc(OCCOC)cc1.I"]
["180565397","CC(=O)C(NNc1ccc(-c2ccc(NNC(C(C)=O)C(O)=[NH+]c3ccccc3)c(Cl)c2)cc1Cl)C(O)=Nc1ccccc1"]
["89766656","Cc1ccc(C(=O)C(C)N(C)C(=O)c2ccccc2)cc1C"]
["15440561","O=C(CCCSc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1"]
["13966243","Cc1nc(C(=O)Nc2ccccc2CC(=N)O)nn1-c1ccccc1"]
["74806509","COc1ccc(-c2csc(-c3ccc(C)nc3)n2)c2sc(NC(=O)c3ccc(N4CCCC4)cc3C)nc12"]
["43883361","CN(CC1CC2CCC1C2)c1ccc(Cl)cc1CN"]
["MCULE-2162324339","Cc1cccc(-c2cccc(C(O)=NC3CCS(=O)(=O)CC3)c2F)c1"]
["186515417","C=CCOc1c(OC)c(OC)cc2c1-c1c(cc3c(c1OCOC)OCO3)[C@H](O)[C@H](C)[C@](C)(O)[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C"]
["MCULE-5393801116","COc1ccc(N=C(O)Cc2ccc(-c3ccc(C(C)(C)C)cc3)c(C)c2)cc1OC"]
["145138319","CCOC(=O)N1CCN(CC(C#N)C(C)C)CC1"]
["66091233","COc1ccc(/C(C)=C(\\C)c2ccc(OCCN3CCCCC3)cc2)cc1"]
["1312599","COc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc(OC)c1OC"]
["111000069","CCCCCn1c(OC)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12"]
["90591365","CC(=O)N(C(C)c1ccccc1)C(C)c1ccccc1"]
["188427926","CCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C=C\\[C@@H](O)CC"]
["MCULE-6097671370","COc1ccc(C(O)=Nc2cc(-c3ccc(CN4CCCC4)cc3)cn3ccnc23)c(OC)c1OC"]
["47777031","CC1CCCC(SCC(O)CN2CCNCC2)C1"]
["50115048","CC1CCN(C(O)=NCCc2nc(C(C)(C)C)cs2)CC1"]
["MCULE-8603189970","CCCCN(CC)C(=O)C1CSCN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1"]
["51505248","CCC1COCCN1c1cnc(C(=O)O)cn1"]
["173514418","N=C(O)c1ccccc1C(=N)C(=O)NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1"]
["MCULE-7171299072","CCCOC(=O)COc1cn(CCC(C)C)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O.Cl"]
["171211650","CCCCCCCCCCC1CCC(C2CCc3cc(O)ccc3C2)CC1"]
["197994819","O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc2c(c1)CCNC2=O"]
["105097701","CCOc1cc(C)c([C@H]2Cc3cc(C)ccc3N2)cc1C"]
["129983301","CC(O)=Nc1cccc(C(C)NC(O)=NCCCn2ccnc2)c1"]
["126856679","O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])o1"]
["81361092","CCC(C#CCC(C)C1=CCC2C(=O)CCCC12C)(CC)O[Si](C)(C)C"]
["99206076","Cc1ccc(C2C=NN=N2)cc1"]
["112628292","CCC(C)(OC)C(O)=NCC(C)CCC(=O)O"]
["83388741","COc1cccc(C=CC(=O)OCC(O)=Nc2cccc([N+](=O)[O-])c2C)c1"]
["89274073","O=C(CCl)c1ccc2c(c1)CCCN2CCO"]
["57582472","O=C(O)C1(N=C(O)c2ccc(Cl)cc2F)CCCC1"]
["MCULE-1395644745","CCOc1ccc(C)cc1-c1c(N=C(O)CCC(=O)c2ccccc2)ccc(F)c1F"]
["88026","CS(=O)(=O)O.CS(=O)(=O)O.C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cccc3c2c(cc2cccnc23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O"]
["MCULE-1800396384","CCOc1ccc(C2=C(Nc3ccc(NC(=O)CC)cc3)C(=O)N(CCC(C)C)C2=O)cc1"]
["130730395","Cc1nc2nc(=N)[nH]n2c(C)c1CCC(O)=NCC(O)c1ccc(F)cc1"]
["108451333","O=C(c1c[nH]nc1-c1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1"]
["31303848","CCOC(=O)C1CC12CCN(C(=O)OCc1ccccc1)C2"]
["143514489","CCOc1cc(CN2CCCC(n3cc(C)cn3)C2)cc(Cl)c1OC"]
["99852311","CC(C)C(CO)=Nc1nc(N2CCC3(CC2)OCc2ccccc23)nc2c1S(=O)CC2"]
["MCULE-2469832141","N#Cc1cc(-c2ccc(CN=C(O)c3cc(F)cc(F)c3)cc2)ccc1F"]
["125983610","CC1(C)CC(N=C(O)c2cnn(C(C)(C)C)c2)CC(C)(C)N1"]
["150181745","CC#CCN(C)C1CCN(C(=O)C(C)c2ccccc2)C(C(=O)OC)C1"]
["165679648","CN(CC1(c2ccccc2)CC1)c1cnnc(O)c1Cl"]
["69705878","CC1CC2=C(Cl)C(=O)CCC2C2CCC3(C)C(O)CC=CC3C12"]
["49122150","CC(NCCCN(C)C)c1cc[nH]n1"]
["163179906","CC(C)CC1CC(C#N)CCN1"]
["112967470","CCCOCCCNS(=O)(=O)c1ccsc1CNCC"]
["136478197","OC(C=Cc1cncc(O)c1)=NC1CCCCC1"]
["23977787","Cc1nnc(S)n1N=Cc1ccccc1[N+](=O)[O-]"]
["14801465","COc1cccc(C(O)=NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1"]
["6677804","CCN(CC)CCCN(Cc1cc2cc(OC)c(OC)cc2nc1O)C(O)=[NH+]C1CCCCC1"]
["MCULE-5422335517","OC(Cc1cc(-c2ccsc2)ccc1F)=NOC1CCCCO1"]
["91736756","CCSCCN1CCC(O)=NC(C(C)(C)C)C1=O"]
["191872871","O=C(CCc1ccc(Cl)c(Cl)c1)c1cccc2c(=O)n(C3CC3)ccc12.O=c1c2cccc(I)c2ccn1C1CC1"]
["164064300","C=CCOC(O)=Nc1ccc2[nH]c(-c3cc(N)cn3C)nc2c1"]
["118664187","CN=C(NCc1cc[nH]n1)NC1CC(=O)N(c2ccccc2)C1"]
["MCULE-1990890075","COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)C2c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1C"]
["150917014","C/C(=N/N=C(O)CSCc1ccccc1Cl)c1ccc(Br)cc1"]
["103906965","CCOC(=O)C1=C(C)N=c2s/c(=C\\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccs1"]
["28522172","CC[C@@](C)(Oc1cccc(OCc2ccccc2)c1)C(=O)OC"]
["132566147","CC(Sc1ccccn1)C(O)=Nc1nc2ccc(C(F)(F)F)cc2[nH]1"]
["MCULE-5175331316","Cc1cc(OCC(O)=NC(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2)ccc1Cl"]
["90663645","CC(C)(C)C#CC1CC1(Sc1ccccc1)S(=O)(=O)c1ccccc1"]
["25526649","c1ccc2c(N3CCN(C4CN(c5nsc6ccccc56)CC[N]4)CC3)noc2c1"]
["91503468","OC(=Nc1ccccc1)N=c1cnn(-c2ccc(Cl)cc2)s1"]
["64521870","CCC(N)C(Sc1cc(F)ccc1F)c1ccc(Cl)s1"]
["175266946","C=N/C(=C\\N=CC)C(O)c1ccc2c(c1)nc1n2CCNCC1"]
["69023824","Cc1nc(C)c(CNC(O)=NCc2cccnc2OC(C)C)s1"]
["86353341","CC1CCC(N=c2[nH]c(=N)[nH]cc2F)CC1C"]
["121328977","CC(COCc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)o1"]
["MCULE-3487221950","CCCN(CCC(=O)OCC)C(=O)c1ccc2c(CN3CCOCC3)c[nH]c2c1"]
["163231044","Cc1ccc2c(c1I)C[C@@H](N)CC2"]
["47305232","Cc1cc(CO)ccc1Oc1cc(F)ccc1F"]
["151212247","COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\\C(=O)O"]
["17038989","Cc1cccc(OCC(O)=[NH+]CCCCN2CCCC2)c1C"]
["MCULE-8869290774","Cc1ccc(-n2nc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)cc2-c2ccc3c(c2)CCCC3)cc1"]
["MCULE-4430271486","Cc1ccc(C#N)cc1N=C(O)c1ncc(-c2cccc(C(=N)O)c2)cc1F"]
["121653688","CC(C)(C)CC(O)=NN=C(O)CCC(=O)c1ccc(F)c(F)c1"]
["75730826","CCN1C(=CC2=C(O)C(=CC3=[N+](C)c4ccc(C)cc4C3(C)C)C2=O)C(C)(C)c2cc(C)ccc21"]
["55692734","CCCN(CCN(C)C)CC(=O)N1CCC(C(=O)O)CC1"]
["MCULE-3045837115","Cn1cccc1C(=O)Nc1cccc(-c2ccc(F)cc2)c1"]
["178970569","CCC1CCC1CC1CCC(C)CC1C"]
["32407935","CC(=O)O[C@]1(C#C[Si](C)(C)C)C=C[C@H](C(C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)C1"]
["195582656","C[N+]#Cn1c(Br)c(-c2ccc(OC)cc2C)c2ccccc21"]
["65248453","C[C@H](Oc1ccccc1C=O)C(O)=NC1CCCC1"]
["54760763","Nc1c(SCCO)cc(Nc2ccc(CCO)cc2)c2c1C(=O)c1ccccc1C2=O"]
["98566283","Cc1c(O)[nH]c(O)c1C(=O)[C@@H](N=C(O)C[C@H](N=C(O)c1cc2cc(F)cc(F)c2[nH]1)c1ccccc1)C(C)C"]
["176848080","O=C(C(O)=Nc1ccc(F)cc1)N(CCO)CCCNC(O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1"]
["53122311","CCCCCN(C(=O)C(Cc1ccc(O)cc1)N=C(O)OC(C)(C)C)C(C(O)=NC(C)(C)C)c1ccc(CC)cc1"]
["6830564","COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)s2)cc1"]
["6744666","CC(=O)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1"]
["80856412","O=C(c1ccc(F)cc1Br)N1CCCC(c2nc(-c3ccc(Cl)cc3)no2)C1"]
["5600381","CCOCc1ccccc1N=C(O)Cn1ccc2cc([N+](=O)[O-])ccc21"]
["165802371","Cc1nc(C2CC2)c2c(N)cn(C)c2n1"]
["199134576","COc1ccc(CC2CCN(Cc3cc4n(n3)CCCNC4)C2)cc1"]
["59849938","CC(C)C(CBr)CN1CC2CCC(C1)O2"]
["173551914","O=c1ccn(C2OC(COP(O)OP(O)O)C(O)C2O)c(=O)n1Cc1cc(-c2ccccc2)cc(C(F)(F)F)n1"]
["49885229","CC1CCCC(C)N1C(=O)COc1ccc(C(=O)N2CCCC2C(O)=NCC(F)(F)F)cc1"]
["124964249","COc1ccc(NC(=O)CN[C@@H](C)c2cc(C)oc2C)cc1"]
["175802687","O=S1(=O)c2cccnc2OC2(CC2)CN1OCCN1CCCC1"]
["84838215","CN(C)CC1CCN(C(=O)Cn2cccc2C(=O)O)CC1"]
["149288920","CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)C2c2cc(Cl)c(O)c(OCC)c2)cc1"]
["78781957","C=C(C)C(=O)OCCCCOc1ccc2cc(C(=O)Oc3ccc(C(=O)Oc4ccc(/C=C/C(=O)OCCCCC)cc4C)cc3)ccc2c1"]
["21284969","OC(CC[NH+]1CCC(N2CCCC2)CC1)=[NH+][C@@H](c1ccccc1)c1cccs1"]
["129342879","N#Cc1ccc(CN=C(O)c2cn(-c3cccc(Cl)c3F)nn2)c(F)c1"]
["151417712","C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1C[C@@H](O)[C@@]2(O)C(=O)CO"]
["14181203","CCOCCCN=C(S)NCCn1cc(Cl)cn1"]
["MCULE-3651303877","COc1ccnc(N=C(O)c2cc(F)c(-c3cnn(C4CCCCO4)c3)c(F)c2)c1"]
["118864705","CCc1nc(CN2CCC(CNC(=NC)NCCN(C)CCCOC)CC2)cs1"]
["73644073","COc1ccccc1N=C(O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1.O=C(O)CC(CC(=O)OC(=O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1"]
["MCULE-4422189885","Cc1nc(=NC(=O)COc2ccccc2-c2cnn(C3CCOCC3)c2)s[nH]1"]
["68395310","O=C(O)CCC(O)c1cnn(-c2ccccc2)c1"]
["MCULE-1800359396","COCCn1cc(C(=O)N2CCC(O)CC2)c2cc(Cl)ccc21"]
["186287466","Cc1cc(-c2ccc(-c3ccc(S)cc3)cc2F)cc(F)c1CC1CCC1"]
["33626542","CCN1C(=O)[C@@]2(CN(C)C[C@@H]2c2ccco2)N=C1O"]
["MCULE-2589373713","CCCCN(C(=O)c1cnc(C)nc1)c1ncc(-c2ccc(OC(C)C)nc2)cn1"]
["25288204","CCCCCc1ccc(C2CC=C(C(=O)OCC)CC2)cc1"]
["21920974","COc1ccc(OCCC(O)=Nc2ccccc2CN2CCSCC2)cc1"]
["70249287","C=CC=CC(C)C(OC(=N)O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)=CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)[CH]C=CCC(O)CCC(=O)OCC"]
["CSSS06595037821","O=C(c1csc(C2CCCCN2CC2CC2)n1)N1CCCC1"]
["156103459","CC(C)(C)c1ccc2nc(CCC(=O)O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6C[C@@](C)(C(=O)O)CC[C@]6(C)CC[C@]45C)C3(C)C)[nH]c2c1"]
["20281143","COc1ccc(Cl)c(/N=N\\c2c(C)[nH+]c3cc(C)ccn23)c1"]
["115989666","CCN(C(=O)c1cncc(C(O)=NCCCOC)c1)C1CCS(=O)(=O)C1"]
["MCULE-6351553335","COC(=O)c1cc(C2CCCC2)nn1C(C)c1ccc(F)cc1C"]
["168507530","CSc1nnc(Cc2ccccc2)n1/N=C\\c1cc(Br)ccc1O"]
["13828997","COc1cccc(S(=O)(=O)N2CCC(C(O)=NCC(F)(F)F)CC2)c1"]
["180443033","Cc1cc(C)nc(N(C)C2CCC34C[C@H](C)C2C32c3cc(O)ccc3CC23CN(CC2CCC2)C43)n1"]
["171213286","CCCCCc1nc(C(=O)C2CCCCC2)nn1Cc1ccc(-c2cnccc2C(=O)O)cc1"]
["126732749","O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCC(c2ccsc2)CC1"]
["MCULE-1375306426","O=C(Cc1ccccc1[N+](=O)[O-])OCC1CCN(C(=O)c2ccc(F)c(F)c2)CC1"]
["82938047","CNC(Cc1ccccc1)C(O)=NC1C(=O)N(C(C)C(O)=NCCc2ccc(OC)cc2)CCC1CCNS(=O)(=O)c1ccc(C)cc1"]
["MCULE-4099070845","NS(=O)(=O)c1ccc(CCn2cc(OCc3cccc4ccccc34)c(=O)cc2CN2CC(O)C2)cc1"]
["134327402","Cc1cc(C)cc(C2CCN(C(=O)c3ccccc3)C2)c1"]
["128312903","COCCCOC(=O)Cc1ccccc1C(F)(F)F"]
["133665471","COc1cccc(N2CCC(CN=C(O)Nc3ccccc3Cl)C2)c1"]
["MCULE-6325310729","CSCCC(C(O)=Nc1cc(N=C(C)O)ccc1C)N(CC(O)=Nc1nccs1)S(=O)(=O)C1CC1"]
["173357846","CC.CCCCCCNC(C)O"]
["86730060","CC(C)(CO)COc1cccc(C(F)(F)F)c1"]
["93010265","CCOC1C(NC)CC1OCc1ccccc1F"]
["163168859","Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(-n2ccc(C)n2)n1"]
["196093871","CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCC/C=C\\C/C=C\\CCCCCCC"]
["MCULE-8503580027","Cc1ccc(NCc2cc(=O)c(OCC(O)=Nc3ccccc3Cl)cn2Cc2ccccc2F)cc1"]
["195052389","C[C@H](CCC(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]
["112095907","CCOCC(O)CNC(C)(C)c1nccs1"]
["151904158","C[C@]12C=CC(=O)C=C1CC[C@@H]1C3=C[C@H](O)[C@](O)(C(=O)CO)[C@]3(C)C[C@@H](O)[C@@H]12"]
["70636941","N#Cc1ccc(-c2ccc(OCCOC(=O)C3C4C=CC(C4)C3C(=O)OCCOc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1"]
["139434319","CC(CN=C(O)C=Cc1ccc(C(=O)NC2CC2)cc1)N1CCc2ccccc21"]
["139008459","Cc1cc(N=C(O)C(=O)NC(C)C2CCOCC2)n(-c2ccc(Cl)cc2)n1"]
["MCULE-1284904007","CC(C)CCC(=O)Oc1ccc(C2=CCN(C(=O)C(C)(C)C)CC2)cc1"]
["140137851","Cc1noc(-c2ccccc2)c1C(O)=Nc1cc(C#N)ccc1O"]
["129992670","c1cnn(-c2ccc(NCc3noc(C4CC4)n3)cc2)c1"]
["70373053","CC1(C)OCC(C(O)C2OC(C)(C)OC2C(=N)O)O1"]
["138807695","CCc1nc(CN2CCN(c3nc4ccccc4o3)CC2)n[nH]1"]
["MCULE-1301536064","O=C(Oc1cccc2c(N=C(O)N3CCCC3)cccc12)c1cc2ccccc2oc1=O"]
["169312977","OC(=NC1CCOC1)NNCCOc1ccccc1"]
["6376793","CCc1ccc([C@@H](C)N=C(O)CNc2ccccc2SCC(=N)O)cc1"]
["20692336","OC(=Nc1cccc(C[NH2+]CCc2cccc(F)c2)c1)c1ccccc1Cl"]
["MCULE-3520384690","CCN(CC)CCCCN=C(O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)C1c1ccncc1"]
["158042889","CC(F)(F)C(=O)c1scc(Br)c1Br"]
["10690135","CC(C)OCc1cccc(NC(O)=NCc2ccc(-n3cncn3)cc2)c1"]
["6273160","COc1cccc(N=c2[nH]nc(SC[C@@H]3CCCCO3)s2)c1"]
["85119051","CCCCNCC1CCCN(S(C)(=O)=O)C1"]
["MCULE-4738069039","COc1cc(F)ccc1-c1ccc2oc(=O)c(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)cc2c1"]
["134607525","OC(=NC1CCCn2ncnc21)C1CCCCCCC1"]
["57989982","COCC(COC)N=c1cc2n(-c3ccc(C)cc3)c3ccccc3nc-2cc1Nc1cccnc1C"]
["63155754","C[C@H]1CCc2c(sc3nc([C@H](C)NCCc4cccs4)nc(O)c23)C1"]
["92269546","CN(CCC#N)C(O)=NCC1(C(=O)O)CCCCC1"]
["29254458","O=C(O)COc1c(C(=O)O)sc2c1sc1cc(C(O)=NCC3CCCCC3)ccc12"]
["52357733","CCCN=C(O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN=C(O)C1CC1"]
["MCULE-2370043994","C=CCN(CC=C)S(=O)(=O)c1ccc2nc(N=C(O)c3cccc(C(=O)O)c3)sc2c1"]
["MCULE-2017202271","CCOC(=O)N1CCN(C(=O)c2cccc(N=C(O)Nc3ccc(Cl)c(Cl)c3)c2)CC1"]
["185259594","Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1O"]
["26560100","CCOc1cc2c(N=C(C)O)c(Cl)cc(C(=O)OC)c2o1"]
["169940882","C=Nc1ccc(Cl)cc1C1=C(C)CN(C)C(=O)N1C1CCC(CNC)CC1"]
["80726230","Cc1ccc(NC(O)=NC(C)c2ccc3c(c2)CC(O)=N3)c(Br)c1"]
["66139854","NCC#Cc1ccc(C(O)=NCC2CCOC2)c(F)c1"]
["190704865","CC[Si](CC)(CC)OC(CC[C@@H]1C[C@H]1C(C)(C)C)c1c(Cl)cncc1Cl"]
["197515555","O=C(O)CC(N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC2CCCCC21"]
["34112648","CC(C)/[N+]([O-])=C/c1ccc(-n2[se]c3ccccc3c2=O)cc1"]
["58341839","CC[NH+](CC)CC[NH+](CC)Cc1ccc(F)cc1F"]
["68362659","Cc1nc(C(NC(C)C)c2cncn2C2CC2)sc1C"]
["171005573","COC(=O)C=C1SC(=NC(=O)c2ccc(Cl)cc2Cl)N(c2ccc(NC(=O)CCC3CCNCC3)cc2)C1=O"]
["76284902","Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.N=C(O)C1CCCN1C(=O)C(N)Cc1cnc[nH]1"]
["146581027","CN(CCOCc1ccccc1)C(=O)C1CC12CCNCC2"]
["167078156","OC(=Nc1nc(-c2ccncc2)n[nH]1)c1cc(C2CC2)oc1C1CC1"]
["92487176","Cn1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c(C(F)(F)F)n1"]
["102068214","CC[C@H](C(O)=NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1"]
["66083801","O=S(=O)(Nc1ncccn1)c1ccc(N=C(O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)cc1"]
["172865404","CCCCNC(=N)N=C(O)C(Cc1ccc(-c2ccccc2)c(CN2CCN(c3ccccn3)CC2)c1OCCCOC)OC(=O)C(F)(F)F"]
["MCULE-3381044730","COc1ccc(Nc2cc(N3CCN(C)CC3)nc(-c3cccc(C)c3)n2)cc1Cl"]
["MCULE-1825414478","N#Cc1cc(C(F)(F)F)ccc1-c1cccc(O)c1C=O"]
["51178007","COc1cccc(C(=O)/C(C#N)=C/c2ccc(OC(=O)OC(C)(C)C)c(OC)c2)c1"]
["MCULE-8847254649","COCC1CCN(C(=O)c2nn(C)cc2-c2ccnc(F)c2F)CC1"]
["43873674","CCCc1nc(Cn2ccc3c(CN)cccc32)no1"]
["49022743","CCC1(C(O)=Nc2cc(F)c(F)cc2F)CCNC1"]
["114779301","CCC(Cl)c1cn(Cc2ccc(Cl)c(F)c2)nn1"]
["117563944","CCC(=O)N1CCCN(C(=O)c2ccc(SC(C)C)cc2)CC1"]
["105686120","CCOCCCN=C(O)C1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1"]
["91383856","CC1CC(C(C)(C)CC(C)(C)C)CCC1O"]
["MCULE-9196436850","OC(=Nc1cncnc1)c1ccc(F)c(-c2c(F)cc(F)cc2F)c1"]
["172559139","CCN1CC(c2nnnn2CC)=C(c2cc(C(C)C)c(O)cc2O)O1"]
["194054322","CNC(=O)c1c(-c2ccc(C)cc2)oc2ccc(-c3cc(C(O)=NC4(c5ncccn5)CC(F)(F)C4)ccc3C)c(F)c12"]
["127188486","CCn1c(=O)n(CC(=O)N2CCCN2C(=O)OC(C)(C)C)c2ccccc21"]
["145111406","CC(C)C1(c2cccc(N)c2)COC1"]
["195982411","C=NC1[C@H]2CN([C@H](C)CC)OCN12"]
["147733633","COCc1cccc(O)c1Cl"]
["165548079","Cc1cccc2nc(CNc3ncccc3C#N)n(C)c12"]
["127567838","CC(C)(C(O)=NCCCNC(=O)c1cccs1)c1cccc(F)c1"]
["88424194","Cc1cc(OCCn2ccnc2C)ccc1S(=O)(=O)Cl"]
["9312368","Fc1ccccc1[C@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@@H]12"]
["86207588","Cc1ccc(OCCF)c(CO)c1"]
["181430976","N=C(N)C(Cc1ccccc1)(c1cccc(Br)c1)C1(O)CCCCC1"]
["82803575","CC1CN(c2ccc(Cl)cc2)CC(C)N1CC(O)COc1ccc(O)cc1"]
["112047572","O=S(=O)(Nc1ccc(Br)nc1)c1c(Cl)nc2ccccn12"]
["200333017","O=C(c1nnc(-c2cnccn2)o1)N1CCc2nc[nH]c2[C@H]1c1cc2c(C3CC3)cccn2n1"]
["MCULE-2397303042","Cc1ccc(-c2ccc(CN(C)C)cc2)c(N=C(O)c2ncccn2)n1"]
["73754384","COc1c(F)c(N)c(N)c(C(=O)O)c1F"]
["MCULE-6408504565","Cc1ccc(=O)n(CC(O)=NCC2(F)CCN(C(=O)c3ccc4oc(C)cc4c3)CC2)n1"]
["MCULE-1722866252","COc1ccc(OC)c(C(O)=Nc2cc(-c3ccc(C(C)(C)C)cc3)ccc2OC)c1"]
["50794805","O=C1Nc2c(Br)cc(Cl)cc2C1=NN=C(O)CN=C(O)c1cccc([N+](=O)[O-])c1"]
["128049767","OC(=NC1c2ccccc2CC1O)c1ccc(F)c(F)c1F"]
["65209945","COc1ccc(NC(=N)SCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1"]
["145801643","O=C(O)C1CC12CCN(C(=O)c1ccc(CN3CCCC3=O)cc1)CC2"]
["87113355","N#Cc1ncccc1NC1(CO)CCCCC1"]
["142965002","CCc1cnccc1C(=O)Nc1cc(OC)c(OC)cc1F"]
["179105389","c1ccc(N(c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1"]
["MCULE-5089076010","CCSc1nnc(C(C)c2ccccc2)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1"]
["111136420","CC1CC(C)C(C)N(Cc2ccc(C(O)=NN)cc2Br)C1"]
["153917038","COc1ccc(-c2c3c(n([C@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(=S)c2C#N)CCCC3)cc1"]
["156659266","C[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)CCS1(=O)=O"]
["73926393","COC(=O)Cc1cccc(CNCCCOc2ccc(CN3C(=N)C(=C(N)N)N=C3O)cc2)c1"]
["MCULE-1612874920","CCc1ccc(OC(=O)COc2nonc2C(=O)NCc2ccccc2)cc1"]
["186386260","CS(=O)(=O)N1CCC(N=c2ccc(C(N)=O)n[nH]2)CC1"]
["MCULE-3501415773","CCN(CC)c1ccc(NC(=O)C(Cc2ccc(F)cc2)NC(=O)c2c(C)cc(C)n(-c3ccccc3)c2=O)c(C)c1"]
["49967227","CNC(=O)c1ccc(NC(O)=NC(C)CCc2ccccc2)cc1"]
["182838832","[N-]=[N+]=NC(O)=Nc1cccc(CC(=O)O)c1Cl"]
["99935045","OC(=Nc1cncc(Br)c1)c1[nH]nc2ncccc12"]
["MCULE-4603222923","CCOc1c(OC)cc(C=NN=C(O)CSc2nc3ccccc3[nH]2)cc1OC"]
["73546547","COC(=O)CCc1cc(N=C(O)C(F)(F)F)c(O)c(-c2ccc3ccccc3c2)c1"]
["166930916","CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C"]
["128364175","CCN(CC)C(=O)c1ccc(OC(=O)c2cnc3c(c2)nnn3C)cc1"]
["155773793","C[C@H](n1cncn1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1"]
["182562873","Clc1ccc2c(ccn2Cl)c1"]
["2869494","Cc1ccc([NH+]=C(O)CN2CCC[C@H](O)C2)c(Br)c1"]
["179386432","CC(C)(C)OC(O)=NCCCCN1CCC2=CCCC(OC[C@H]3CCCN3c3ccnc4ncnn34)=C2C1"]
["MCULE-3627889600","Cc1cc(C(=O)Nc2cc(F)cc(-c3cc(F)ccc3C)c2)on1"]
["7981814","C[NH+]=C(O)c1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1C"]
["MCULE-6071129064","CC(O)=Nc1cccc(-c2cnc(N=C(O)CN3C(=O)c4ccccc4C3=O)nc2C(F)(F)F)c1"]
["17251793","COc1cccc(/C=N/N=C(O)CSc2nnc(-c3cccnc3)n2N)c1"]
["126307767","OC(COCc1ncc[nH]1)=Nc1cc(-n2nnnc2C2CC2)ccc1F"]
["MCULE-9402850539","Cc1cc(C)c(-c2ccc3oc(=O)c(C(=O)N4CCN(c5ccc(C#N)cc5)CC4)cc3c2)c(C)c1"]
["119740971","CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)c1ccc(C#N)cc1"]
["195727568","C=C(Cl)/C(C)=c1\\nc(C)o\\c1=C(\\C)Br"]
["MCULE-6701761405","CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc4c(c3)CCCC4)n(-c3ccccc3)n2)CC1"]
["165285244","COC(=O)Cc1cncc([N+](=O)[O-])c1Br"]
["147335946","Cl.Cn1c(C(=O)NCC2CNCC2O)ccc1-c1ccc(Br)cc1"]
["145607212","CCc1cc(N2CCCCC2C(=O)O)nc(N[N+](=O)[O-])n1"]
["19346279","C[C@@H](N=C([O-])c1cnc2c(c1)c(O)nc(=O)n2C1CC1)c1ccc(NC(O)=Nc2ccccc2)cc1"]
["MCULE-6469694446","COc1cc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SCCCO)cc(Cl)c1O"]
["152479130","COc1cc(C=C(C#N)C#N)cc(I)c1OCCOc1ccc(C2CCCCC2)cc1"]
["57960969","Cn1c(=O)c2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c2ccccc21"]
["CSSS20521991521","O=C(c1cc2cccnn2c1)N(CCN=C(O)c1cnc2c(c1)N=C(O)CO2)CC1CC1"]
["MCULE-2074972566","COc1ccc(-c2cc(Nc3ccc(C(=O)O)cc3O)nc(C)n2)cc1"]
["15942391","O=C1OC(=C(Cc2ccccc2)Cc2ccccc2)OC(=O)C1(Cc1ccccc1)Cc1ccccc1"]
["199007537","O=C1CCc2cc(C(=O)N[C@H]3CCC[C@H]3N=C(O)C3(n4cnnn4)CC3)c(F)cc2N1"]
["3805217","COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=N)O)cc2)c1"]
["57867232","CC(C)(O)CN=C(O)CCCCl"]
["MCULE-1446065975","O=C(O)Cc1cccc(F)c1-c1ccc(CC(=O)N2CCC(F)C2)cc1"]
["11290980","C[C@H](N=C(O)CSc1nnc2nnc3c4ccccc4n(CCc4ccccc4)c3n12)c1ccccc1"]
["MCULE-3238019425","CC(C)(C)c1ccc(C(O)=Nc2ccc(C(=O)N3CCN=C(O)C3)cc2)cc1"]
["165567108","Cc1sc2nc(CN3CCCC3)nc(NC(C)C3CN(C)CCO3)c2c1C"]
["128198893","CC(=O)N1CCC(C(=O)N(C)c2ccc(F)cc2)CC1"]
["MCULE-5516691874","CN(C)Cc1ccccc1-c1cc(C(O)=Nc2ccnnc2)ccc1F"]
["143066995","OC(=Nc1ccccc1C(F)(F)F)Nc1cccc2c1OCCO2"]
["73872222","CC(C)[C@]1(C)CC(=O)N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)s2)C(=N)N1"]
["97209270","Cc1sc(-c2cccs2)cc1C1=C(c2cc(-c3cccs3)sc2C)CSC1"]
["135002310","CCC1CN(C(=O)c2ccc(N3CC(C)OC(C)C3)nc2)CCN1CCOC"]
["181099040","CO[Si](CC1(Br)C=CC=CC1)(N=[N+]=[N-])OC"]
["194997516","COC1CC(CC2CCC(C)C(C(C)C(=O)O)O2)OC2(OC(C)(C(O)=CCC(C)C(O)=C(C)CCC3OC(O)(CO)C(C)CC3C)CC2C)C1C"]
["168369543","N=C(c1ccon1)c1c(O)[nH]c2ccccc12"]
["127393449","CC(C)Cc1noc(Cn2cnc3c(N(C)C)ncnc32)n1"]
["175976839","N.N.O=[P+]1C=CC1"]
["151601823","CC[C@@H](C)N=C(O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O"]
["112172800","CC1CC(NCc2cc(Cl)c3c(c2)OCO3)CCO1"]
["197553258","CCCC1(CCC)NCC2(CCOCC2)CO1"]
["57612493","CNC(CCc1ccc(OC)cc1)c1ccc(F)cc1"]
["149315542","Cc1cc(N2C(=O)C(O)=C(c3ccc(OCC(C)C)cc3)C2c2sccc2C)ccc1Br"]
["2340289","CCC(O)=Nc1cc(N=C(O)CCCCC(O)=Nc2ccc(C)c(N=C(O)CC)c2)ccc1C"]
["68520442","CCCCc1nc2ccc(N=C(O)CCc3c(C)nc(O)c(C#N)c3C)cc2[nH]1"]
["115552118","COc1c(Cl)cc(Cl)cc1/C(O)=C1\\C(=O)C(=O)N(CC2CCCO2)C1c1sccc1C"]
["6564113","COC(=O)CC[C@H]1C[NH+]=C(O)[C@@H]2[C@@H](CCN2Cc2csnn2)N1C"]
["MCULE-2965884686","Cc1ccsc1-c1ccccc1CN(C)C(=O)CCC1CCCCC1"]
["MCULE-5247930225","O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1"]
["MCULE-3841728649","COc1ccc(C(O)=Nc2cc(C)cc(-c3cccc(CN4CCN(C)CC4)c3)c2)cc1F"]
["181958777","CCCCOC(ON=[N+]=[N-])(OC(C)C)c1ccc(OC)c(OCC)c1OCCC"]
["MCULE-9886015870","Cc1cc(N=C(O)c2ccc(-c3cccn3C)cn2)on1"]
["154502358","C=CCc1cc(/C=N\\N=C(O)c2cccc([N+](=O)[O-])c2)cc(OC)c1O"]
["144668022","O=C(O)c1cc(=Nc2cccc(Br)c2)[nH]nc1Cl"]
["155585174","Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(F)cc1Cl)O2"]
["181413938","C[Si](C)(C)CCOCn1cnc(Cl)c2ccnc1-2"]
["24928234","CCC(N)C(O)c1cc(C)ccc1C"]
["176414752","[2H]C([2H])([2H])N[C@@H]1Cn2ccc3c(F)c(F)cc(c32)[C@@H]1C"]
["142961776","CCN(CC(O)=NC(C)(C#N)C(C)C)Cc1cc(Br)ccc1O"]
["62509711","CC(C)(CN)N1CCN(c2cccc(C(F)(F)F)c2)CC1"]
["53652348","Cc1ccc(Oc2ccc3nc(N=C(O)CO)sc3n2)cc1N=C(O)c1cccc(C2(C#N)CC2)c1"]
["157040365","Cc1cn2c(n1)N[C@@H](C(F)F)CC2"]
["109870990","Cc1cccc(-c2nnc(S)n2CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1"]
["43864063","CCCc1noc(CCC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)n1"]
["34750352","CCN=C(O)Nc1nc2ccc(-c3ccccc3Oc3ccccc3)cc2[nH]1"]
["194898198","O[C@H]1C=C[C@]23CCN(C2C1)[C@@H](O)c1cc2c(cc13)OCO2"]
["126025514","CCC(C)OCC(=O)N1CCC(OCC2CCCO2)CC1"]
["60667005","CC1=C(C(=O)O)C(c2cccc(Cl)c2)C(CC=Cc2ccccc2)(C(=O)O)C(C)N1C"]
["64339746","C[N+]1(OC(=O)C(F)(F)F)CCCC1"]
["51398323","CCN1CCCC1CN=C(O)Nc1ccccc1C(=O)O"]
["54828912","CCCCCCN1C(=O)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cn3)N(CCCCCC)C(=O)C2=C1c1ccc(N(c2ccccc2)c2ccccc2)cn1"]
["33323010","COC(=O)C1OCc2c(cccc2-c2ccccc2)C=C1c1ccccc1"]
["7299410","CCS[C@H](C(O)=Nc1cccc(Br)n1)C(C)C"]
["77566758","Cc1ccc(CN(C)C(=O)C=Cc2c(C)nn(-c3ccccc3)c2C)o1"]
["49724871","O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1"]
["MCULE-3222764796","COC(=O)Cc1ccccc1C1CC1CCO"]
["MCULE-7783521527","COc1ccc(-c2nn(C)c3c2C(c2ccccn2)C(C(=O)N2CCN(c4ccc(F)cc4)CC2)=C(N)O3)cc1"]
["32217591","COCCCNC(=O)C(=O)O"]
["MCULE-1666332144","COc1cccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)c1"]
["828186","C#Cc1ccc2[nH]c3cnc(C(=O)OC(C)(C)C)cc3c2c1"]
["110948095","O=C1C2C3C=CC(C3)C2C(=O)N1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"]
["185119530","N=C(N)n1cc(-c2ccccc2)c(O)n1"]
["56108179","COCCC(C)N=C(O)CCC(C)N"]
["49386881","COc1cc(OC)cc(C(NC(O)=NC(C)Cc2ccco2)c2nccn2C)c1"]
["19592694","Cc1n[nH]c(=NC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)s1"]
["MCULE-5583951873","Cc1cc(C)c(-c2ccc(N=C(O)c3cncn3C)nc2)c(C)c1"]
["117940524","CCN=C(NCCCCN1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1.I"]
["MCULE-8028517469","O=C1C(NCCN2CCOCC2)=C(c2c[nH]c3ccccc23)C(=O)N1Cc1ccccn1"]
["83869035","CC=Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(OC)cc2)c(OC)c1"]
["145593601","Brc1cccc2oc(I)nc12"]
["79735064","C=CCCCCCC.CCCCCC"]
["173116801","CC.CCOc1c(OC)cccc1C(=O)N=[N+]=[N-]"]
["58329121","Cc1cc(-c2cc(C(O)=Nc3nnc(-c4ccccn4)s3)c3cnn(C(C)C)c3n2)c(C)o1"]
["46719507","CC(C)C(N/C=C/C(=O)C(F)(F)F)C(O)=Nc1cccc(Cl)c1"]
["MCULE-2971441647","CC(O)=NCCC(O)=NCCc1ccccc1S(C)(=O)=O"]
["149709529","C=C(CCc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccc(C)n2)o1.O=C=O"]
["MCULE-1217409317","COc1ccc(-c2cc(F)ccc2C)cc1N=C(O)c1ccccc1C(F)(F)F"]
["132830962","Cc1cc(F)ccc1CCN=C(O)N1CCCN(c2nccs2)CC1"]
["MCULE-4881180856","COc1cc(F)c(-c2cnc(N=C(O)Cc3cccc(F)c3)nc2)c(F)c1"]
["21969700","Cc1ccc(NC(=O)CS[C@H](C)C(O)=N[C@@H]2CCCN(CC(=N)O)C2)cc1"]
["50531910","C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCn2cc(C(CO)c3ccccc3)nn2)O[C@]12C(=O)N(Cc1ccc(N3C(=O)c4cccc5cccc3c45)cc1)c1ccccc12"]
["170393615","Cc1cccc(C)c1-c1cc(OC2CN(C(=O)c3cnn4ccn(C)c34)C2)nc(NS(=O)(=O)c2cnn(C)c2)n1"]
["140957250","CCc1nn(C)c(Cl)c1C(O)=Nc1cc(Cl)ccc1F"]
["86856450","CCOC(=O)[C@@H]1CCCN(C(=O)C(F)(F)F)C1"]
["172579589","C=C[C@H]1CN=C(O)[C@H]1C[C@H](N=C(O)OC(C)(C)C)C(=O)OC"]
["107992931","CC(C)N1CCC[C@]2(CCN(C(=O)CN3CC(O)=NC3=O)C2)C1=O"]
["181240143","CC1(C)OB(N2CCC=N2)OC1(C)C"]
["116518510","CCN=C(NCc1ccc(C)cc1OCC1CC1)NCc1ccc(OC)c(OC)c1OC.I"]
["119315291","CCO[C@@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(C)c4c(c3F)CCN(C3CCOCC3)C4)cs2)CC[C@@H]1C(=O)O"]
["42770579","CC(C)CC(C)N(C)c1nnc(SCC(=O)O)n1C1CC1"]
["187059795","CC(C)(C)OC(=O)N1Cc2c(F)ccc3c2[C@@H](COc2cc(Br)c(Cl)nc21)CO3"]
["5004077","Cc1ccc([N+](=O)[O-])cc1C(O)=NCCNc1ncccc1C(F)(F)F"]
["CSSS05204739351","CC(CN=C(O)c1cc2nccn2c(O)n1)CN=C(O)c1cccc2c1CCC2"]
["45450595","O=C(Cc1cccc2ccccc12)N(CCc1ccccc1)Cc1cccs1"]
["152808628","Cc1ccc([N+](=O)[O-])cc1N=C(O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1"]
["124361368","CCN1CCC(N(C)S(=O)(=O)Cc2ccc(Cl)nc2)C(C)C1"]
["200208839","Cc1ncc(-c2nc(NC3CCN(SC4=C/CCCC/C=N\\4)CC3)ncc2C(F)(F)F)s1"]
["174718972","CC.CC[NH+]1CCC(O)CC1"]
["149290877","COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCc3ccccc3)cc2)C1c1ccc(OC)cc1"]
["MCULE-8210161071","OC(CSc1ncccn1)=Nc1ccccc1-c1ccnc(F)c1F"]
["111364908","CNCC1COCCN1CCc1ccnn1C"]
["78252297","[O-]/[N+](=C\\c1cccc(Cl)c1)c1cccc(Cl)c1"]
["100361990","CC(CC(C(C)(C)C)C(C)(C)C)OCCO"]
["174619056","CCC(C)CN1C=C(Cl)C=NC1Cl"]
["MCULE-2072769579","CC(N=C(O)C=Cc1ccc(F)cc1)C(=O)N1CCN(c2ncccn2)CC1"]
["170099438","CC1CC(N2CCC(C(=O)C(C)(C)C)CC2)CCN(C(C)C)C1"]
["47818209","O=S(=O)(NCc1cccs1)c1cccc(C(O)=Nc2cccc(COCc3ccco3)c2)c1"]
["154604167","Cc1noc([C@@H]2CCC3(CCN(C(=O)C4(F)CC4)CC3)O2)n1"]
["88834574","Cc1ccc(O)cc1NCc1ccc(O)c(Cl)c1"]
["166619106","CC(C)CC(CN)CC(C)(C)C"]
["60354928","CCCCN1C(=O)CC[C@@H](C(=O)OCc2cccc(OC)c2)[C@@H]1c1ccccc1OC"]
["MCULE-5059054089","COC(O)=CC(=O)c1cccc(F)c1F"]
["191512499","CC(=O)OC1CO[C@@H](COC(=O)c2ccccc2)O1.N=c1[nH]c2ncnc-2c(Cl)[nH]1.N=c1nc2c(ncn2C2CO[C@@H](COC(=O)c3ccccc3)O2)c(Cl)[nH]1"]
["MCULE-8841644160","C=CCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2ccc(C(=O)OCC)cc2)C1=O"]
["169833576","CS1(C)c2cc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)sc3ccccc34)ccc2-c2c1ccc1c2sc2ccccc21"]
["22128205","COc1cc(N=C(C)O)c(Cl)cc1C(O)=Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1"]
["95204967","FC(F)(F)c1ccc(-c2nnc(-c3cccs3)[nH]2)nc1"]
["122970540","COc1ccccc1CC(C)CC(=O)Nc1ccc(-c2ncco2)cc1"]
["195364306","CC(C)C[C@@H](N=C(O)[C@H](N)CC1=CC=CCC1)C(O)=NCCCCCN"]
["MCULE-3553098846","O=C(N=c1cc[nH]cc1-c1ccccc1OC(F)(F)F)C1CC(=O)N(Cc2ccccc2)C1"]
["MCULE-6136552557","Cc1ccc(N=C(O)Cc2cc(F)ccc2-c2ccc(C(N)=O)cc2)cn1"]
["3654576","O=C(NCc1ccccc1OC(F)F)C(=O)Nc1ccccc1Cl"]
["80674564","C=C(C)C(=O)N(Cc1ccc(C)o1)C(C(O)=NC1CCCCC1)c1ccc(O)cc1"]
["174964369","Cn1c2ccccc2c2cc(N=C(O)c3cc4ccccc4cc3O)ccc21"]
["137845180","CCCC(C(O)=Nc1cc(C(=O)OC)c(F)cc1F)c1ccccc1"]
["183335638","CC1=CC(C)(CC2(Cc3cc[nH]n3)C(C)=CC=CC2C)N=N1"]
["94162056","N#Cc1cccc(SCc2ccccc2)c1N"]
["54653950","CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)/C=C/c2ccccc2)cc1"]
["141963362","C#CCN1CCC(C(=O)N2CCN=C(O)C2c2ccccc2Cl)CC1"]
["148739717","CC(C)CC(CC(C)C)n1ccc(C(=O)NS(=O)(=O)C(F)(F)F)n1"]
["139372845","CCN1CCN(CC(C)CN=C(O)NC(c2ccc(Cl)cc2)C2CC2)CC1"]
["199539393","CC(O)=NC1C(OC2C3COC(O3)C(N=C(C)O)C2OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN=C(O)CC(N)C(=N)O)C(=O)O)C(=N)O)OC(CO)C(O)C1O"]
["30907529","Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)CC(=O)N23)cc1"]
["124565833","CCC1CCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)C1"]
["111660178","Nc1ccc(F)cc1NS(=O)(=O)c1ncccc1F"]
["88185294","CCC1CN(CC)C(c2cccs2)CN1"]
["52950251","C1CCCON=NCC1"]
["4377800","CC(C)CC[C@H](C(=O)O)[C@H](C)CC([O-])=Nc1ccccc1Cl"]
["MCULE-1282486766","COc1ccc(-c2cc(C(O)=Nc3cccc(-c4ccc(OC)cn4)c3)ccc2C)cc1"]
["120097246","CCOCCN(C)c1c(Cl)cc(N)cc1C(=O)OC"]
["172091348","COC(=O)C1O[C@@H](C(O)[C@]23CCC(C)(C)CC2C2=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)C(O)[C@@H](O)[C@@H]1O"]
["142591136","CCCOc1ccc(CN=C(O)CSc2cccc(C#N)c2)cc1"]
["19209232","c1ccc(-c2ncc(CNCc3ccc4c(c3)OCCCO4)s2)cc1"]
["106759819","COc1ccc(C2=NN(C(=O)/C=C3\\SC(=O)N=C3O)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1"]
["123692278","Cc1nc2n(n1)CC(NC(O)=NCc1c(C)nn(Cc3ccccc3)c1C)CC2"]
["MCULE-8272102795","Cc1nc(N=C(O)CCN2C(=O)c3ccccc3C2=O)sc1-c1cccnc1"]
["127801984","Cc1oc(-c2ccco2)nc1CC(O)=NC(C)(C)CCN1CCCCCC1"]
["117705252","CCN=C(NCc1cccc(C(=N)O)c1)N(C)Cc1ccccc1.I"]
["170586300","CN(C)C(=O)c1cc2c[nH]c(=Nc3ccc(CC4CCN(C5CCN(c6ccc(C7CCC(O)=NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1"]
["10191358","O=C(C[C@@H]1C=CCC1)Oc1ccc(N=C(O)c2ccco2)cc1"]
["83744455","COc1ccc(NC(=O)C2CC3CCCN3C23C(O)=Nc2ccc(C)cc23)cc1"]
["138484684","OC(=NCc1ccc(Cl)s1)N1CCN2CCCC2C1"]
["56959785","Cc1c(N=C(O)CN2CCC(C(O)=NC(C(O)=Nc3ccc(C(=O)N4CCCC4)c(Cl)c3)C(C)C)CC2)cccc1C(O)=Nc1ccccc1F"]
["MCULE-1590664263","Cc1ccc(Nc2cc(N3CCCC(Oc4ccccc4)C3)nc(C(C)C)n2)c(C)c1"]
["179994794","CC1(N2C3CCCC3C[C@H]2c2nc3ccc(C4=CC4)cc3[nH]2)CC1"]
["150444770","CN1CCn2ccnc2C12CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2"]
["24431412","OC(=NCc1ccccn1)NC1CCSc2ccc(Cl)cc21"]
["60532055","COc1ccc(/C(C)=C2/SC(=O)N(c3cccc(O)c3)C2=O)cc1"]
["127281931","COC(=O)COc1ccc(CN(C)CC(C)C)cc1"]
["123602556","Cc1cc(C(=O)NC(C)(C)CN=C(O)OC(C)(C)C)c2c(C)noc2n1"]
["17772380","OC(=N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccnc1"]
["116524621","CN=C(NCc1ccccn1)NCC1(CC(C)C)CCCC1"]
["194315467","CSC(=O)c1c(-c2c(F)cccc2Cl)noc1C(=CN)C(=Nc1cccc(Cl)c1)C(F)(F)F"]
["175364082","CC(O)=Nc1ccc2c(c1)c1c(N)ncnc1n2CC(C)(C)CC(=O)O"]
["119589759","CN(Cc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1"]
["5478217","C[C@@H](N=C(O)N1CCCC[C@@H]1C)c1nc2ccccc2[nH]1"]
["90027266","OC(CC1CCC1)=Nc1nncn1-c1ccccc1"]
["MCULE-2587854274","COc1cc(F)cc(-c2ccc3oc(N=C(O)c4ccc(OC)cc4OC)nc3c2)c1"]
["MCULE-4808802178","CCCCS(=O)(=O)N(Cc1cccc(C)c1)C(CC(C)C)C(O)=Nc1ccc(OC)c(Cl)c1"]
["172698974","CCCC(N=C(O)C[C@@H](c1ccccc1)C(F)(F)F)C(=N)O"]
["99809241","CCCC1=NN=C/C1=C1\\C=Nc2nnc(Cc3c[nH]c4ccccc34)n2N1"]
["172571085","CCOCCOCCOC(=O)C(C)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"]
["2318188","C[C@@]1(c2ccc3c(c2)OCO3)N=C(O)N(Cc2coc(-c3ccccc3)n2)C1=O"]
["6650776","CN1CCN(CC[NH+]=C(O)c2ccccc2COc2cccc(C=O)c2)CC1"]
["195281483","CC1(C)[C@H](CNCc2cncc(F)c2)[C@H]1c1ccc(S(N)(=O)=O)cc1"]
["24835111","Cc1cc(C)c(NC(=N)N=C(O)NC(C)(C)C)c(F)c1"]
["15590181","Fc1cccc(CSc2nnc(-c3ccccc3Br)o2)c1F"]
["113366728","NNc1nc(Cc2cccs2)nc2c1COCC2"]
["121556339","C=CCN(C)C(O)=NOCCOCC"]
["153157802","OC(Cc1cccc2ccccc12)=N/N=C/c1ccc(N2CCOCC2)cc1"]
["86406027","CCCN=c1nc(SCCN(C)C)c(C)c[nH]1"]
["184828087","CO[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1CN=[N+]=[N-]"]
["104888405","O=C(O)c1cccc(N[C@H]2C=CCC2)c1"]
["6041461","COc1ccc(-c2cc3ncn(CC(=O)N(C)Cc4ccccc4)c(=O)c3s2)cc1"]
["124142206","OC(=Nc1ccccc1-c1ccncc1)N1CCCN(c2ccccc2)CC1"]
["152911940","O=C1[C@@H]2[C@H](C(=O)N1N=Cc1cn(Cc3cccc(F)c3)c3ccccc13)[C@H]1C=C[C@H]2C1"]
["180112259","CN(Cc1cccc(C2C=CC(C(O)=NCCCCCO)=CC2)c1)C(=O)CN"]
["MCULE-4345349765","COc1ccc(C)cc1N=C(O)C1CCCN(C(=O)c2ccc(=O)n(C)c2)C1"]
["56070582","CC(C)C(O)(Cl)OC(=O)O"]
["185626472","N=C1CC(=O)N(CC(F)(F)C(F)(F)C(F)(F)C(F)F)N1"]
["142538734","COc1ccccc1CNCC(OC(C)C)c1ccccc1OC"]
["14351885","CCCCCCOc1ccccc1C(O)=NC(=S)Nc1ccc(N=C(O)c2ccc(C(C)(C)C)cc2)cc1"]
["100522952","COC(=O)CCC(C)[C@H]1CCC2C3CC[C@@H]4[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)CC[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C"]
["MCULE-4136202789","Cc1cc(CC(=O)O)ccc1-c1ccc(C(=O)NCCS(C)(=O)=O)cc1C"]
["MCULE-8154361638","CCSCCN=C(O)c1ccc2c(Cl)ccnc2c1"]
["135171042","CN(CCN(C)c1ccccc1)CC(O)=NCCC(=O)N1CCOCC1"]
["124318915","CCOC(=O)c1sc(N(C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nc1C"]
["30183887","CC(C)(C)c1cc2c3c(cc(C(C)(C)C)cc3c1)-c1cc(Cl)ccc1-2"]
["170721000","CCCC[C@@H]1C[C@H](CN(C(C)=O)c2cnc(C(C)(C)C)cn2)CCC1(F)F"]
["125071864","CN(CCC1CC1)C(O)=NCc1cccnc1-n1ccnc1"]
["MCULE-3335865112","O=[N+]([O-])c1c(Cl)nn(Cc2ccccc2F)c1C(F)(F)F"]
["108408196","O=C(COc1ccccc1)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1"]
["167920189","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN=C([O-])CCCCCCCCC)OC(=O)CCCCCCCCC/C=C\\C/C=C\\CCCCC"]
["42744737","CC1CC(C)CC(OCCC#N)C1"]
["142494459","CCCCc1ccc(N=Nc2c(O)ccc3ccccc23)cc1"]
["93878218","CC(C)(N)C(C)(C)C(=O)N1CCCCCC1CO"]
["101738927","CCCCCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1C(F)(F)F"]
["127813498","CCCc1noc(CCCC(O)=NCC(C)Oc2ccccc2F)n1"]
["50926935","Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(C)N1CCC(C(O)=NCC(O)=Nc2ccccc2F)CC1"]
["66110244","CC(=O)c1cc2c(Br)cncc2s1"]
["54257757","COc1ccc(N=C(S)N/N=C\\c2cn(CCC#N)c3ccccc23)cc1OC"]
["24412776","CCC1CN(C(=O)N2CCC(C(O)=Nc3cccc(F)c3)CC2)c2ccccc2O1"]
["MCULE-5008093210","CCCN=C(O)COc1cn(CC(C)C)c(CNc2ccc(CC)cc2)cc1=O"]
["148506262","CCC(CN=C(O)N1CC(C)CC(C(=O)O)C1)OC"]
["105555524","COc1cccc(-c2ccc(C(=O)NCCCC(=O)O)o2)c1"]
["94838091","N=C(O)c1cccc(CNCCCn2cccn2)c1"]
["157529528","C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)CCS1(=O)=O"]
["116682083","CCN=C(NCC(C)(C)SC)N(C)Cc1cc(Br)cn1C"]
["148488149","COC(=O)c1cccc(S(=O)(=O)N2CC(C)CC(C(=O)O)C2)c1C"]
["77366507","COc1ccc(CN2C(=O)C3C2CCN3C(=O)OCc2ccccc2)c(OC)c1"]
["MCULE-2739470329","Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccco2)c1"]
["111093076","CCc1ccsc1CN[C@H]1CCCC[C@@H]1O"]
["193038324","Cc1cc(N2CCCOC[C@@H]2c2cc(O)c(C(=O)CCCO)cc2Cl)nc(=N)[nH]1"]
["142987145","CCNCc1cccc(N=C(O)C(C)Oc2ccccc2Br)c1.Cl"]
["64385983","COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(C)c1"]
["133291574","COc1cccc2[nH]cc(CC(=O)N3CCC(c4nncn4C4CC4)CC3)c12"]
["111581898","CCCNc1cnn(Cc2c(Cl)cccc2Cl)c(=O)c1"]
["67523931","CCn1ncc(N=C(O)c2cnn(C(C)C(=O)O)c2)c1C(=O)Nc1cccc(OC)c1"]
["17323010","CC(O)=NCc1ccc(C(=O)NCC(=O)N2CCCCC2)s1"]
["MCULE-1455335420","CCSCc1cc(=O)c(OCc2cccc(Cl)c2)cn1CCN(C)C"]
["MCULE-5149389910","COc1ccc(C(O)=NCCCCc2ccccc2)c(-c2cc(F)ccc2C)c1"]
["118837884","CCN=C(NCCC(OCC)C(C)C)N1CCC(CN2CCOCC2)C1.I"]
["176279863","O=C1N2C(CC[C@H]2c2cnccn2)OC12CC(OCc1cccc3cncc(F)c13)C2"]
["102805263","CN(C)CCNc1c(NC[C@H]2C[C@H]3C=C[C@@H]2C3)c(=O)c1=O"]
["22711005","CCCCCCCCN=C(O)c1cc(-c2cccc(Br)c2)nc2ccccc12"]
["85576999","Brc1ccc(CSc2cc3ccccc3[nH]2)s1"]
["156804706","C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1"]
["15144921","COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Cl)cc3)c2C#N)cc1"]
["176854835","CC1CCCCN1.CN1CCc2ccccc21"]
["91534023","CNCCCc1cc(OC)ccc1I.[O-][Cl+3]([O-])([O-])O"]
["4543102","O=C1CCCCCN1CC(O)=[NH+][C@H]1CCN(C2CC2)C1"]
["64126893","COc1ccc(-c2nc(CC(C)N)no2)cc1"]
["193514502","CS(C)=C1C=CC([N+](=O)[O-])=C2C=CC(=[OH+])C=C21"]
["83287560","C=C1C(=O)OC2CC(C)C3(O)C=CC(=O)C3CC12"]
["57445149","COc1ccccc1Sc1cc(C)ccc1C(=N)NO"]
["34322510","Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[As](=O)(O)O)[C@@H](O)[C@H]1O"]
["75125700","O=C1C=C2C=NC=CNC2=CC1"]
["88750706","CCCC1NC2(CC2)C(=O)N1CCCS(C)(=O)=O"]
["17841240","CCOc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCO2"]
["134134612","CC(=O)N1CCc2ccccc2C1CC(=O)Oc1cccc(Cl)c1F"]
["110294613","CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC"]
["9005534","CCn1c([O-])c(/C=N/c2ccccc2C(=O)O)c(=O)c2ccccc21"]
["194285936","C#CC#CC#CO.Cc1ccc(-c2c(-c3ccc(C)s3)c3sc(-c4sc(C)c5c(F)c(C)sc45)cc3c3cc(C)sc23)s1"]
["90973501","CCN(C=CC=Nc1ccccc1)CC"]
["123432232","NS(=O)(=O)Cc1cccc(C(O)=NCc2cccnc2-n2ccnc2)c1"]
["163132010","Cc1cccnc1-n1cccc1[C@@H](N)CO"]
["89865439","Cc1ccc(N=C(O)CN=C(O)C(F)(F)F)nc1"]
["59612874","CCCCCCCC(=O)N1CCc2[nH]c3c(c2C1)=CCCC=3"]
["92205615","CNC1CCN(S(=O)(=O)C2CCOCC2)CC1C"]
["68585639","CCOc1ccc(OCC(=O)O[C@H](C)C(O)=Nc2ccc(F)c(Cl)c2)cc1"]
["MCULE-7696858154","CC(=O)c1cc(-c2cnc(N(C)C)nc2)ccc1N=C(O)c1cccs1"]
["187931127","CCN(CC)C(=O)C#Cc1ccc(C)s1"]
["MCULE-2220128011","C=C(C)CN(C(CCSC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)CC"]
["113760664","Cc1ccc(CC(N)c2cc(C)ccc2F)c(Cl)c1"]
["22636096","COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(S)=NC1c1cc(OC)c2c(c1)OCO2"]
["65731265","O=C(CNC(c1ccc(F)cc1)c1cccs1)Nc1ccc(CN2CCOCC2)cc1"]
["MCULE-4159624718","OC(=Nc1nc(N2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1)c1ccccc1Br"]
["149343754","CCOc1cc(C2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(Cl)c2Cl)cc(Cl)c1OC"]
["MCULE-9921200583","Cn1ccc(C(=O)Nc2ccc(-c3cncc4ccccc34)cc2)cc1=O"]
["199687731","NCC1CC(=O)N(Cc2ccc3nccn3c2)C1"]
["62160688","O=C1C(=CC=Cc2ccccc2)SC(=S)N1CC(O)=Nc1cccc(I)c1"]
["65394879","O=C1C=CC(=C2NNC=C2c2ccc3c(c2)OCCO3)C(O)=C1"]
["141513280","COCCn1cc(C(O)=NN=C(O)c2ccc(Cl)nc2)c2ccccc21"]
["MCULE-3896371316","Cc1ccc(CN=c2nc(N(C)C)[nH]c(=Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]2)cc1"]
["166798746","Nc1ccc(-c2cnn(I)c2I)c(F)c1"]
["68718682","CC(Nc1ccc(Br)cc1)c1cnc2ccsc2c1"]
["196925609","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\CCCCCCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC"]
["MCULE-8108365364","CCc1ccc(N(C(=O)c2ccc(Br)o2)C(CC)CC)cc1"]
["101069854","c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccc(-c4ccc5cc6ccccc6c(CN(Cc6ccccn6)Cc6ccccn6)c5c4)cc23)nc1"]
["MCULE-9962713849","Cc1ccc(C)c(CN2C(=O)C(Nc3cc(C)c(Br)cc3C)=C(c3ccc(F)cc3)C2=O)c1"]
["124398903","OC(C=Cc1c(F)cccc1F)=N[C@@H]1CCCC[C@H]1O"]
["66995149","Cc1cccc2c1N(C)C(=CC=CC1=[N+](C)c3c(ccc4ccccc34)C1(C)C)C2(C)Cc1ccccc1"]
["169926434","CC(C)(CC(=O)N(c1nn(CC(F)(F)F)c2c(-c3ccc(CCC(C)(C)S(C)(=O)=O)cc3[C@H](Cc3cc(F)cc(F)c3)N=C(O)Cn3nc(C(F)(F)F)c4c3C(F)(F)C3C[C@H]43)ccc(Cl)c12)S(C)(=O)=O)CN(CC(=O)O)C(=O)OCOP(=O)(O)O"]
["MCULE-4464041510","COc1ccc(C(=O)N2CCN(C(=O)c3cc(OC)ccc3-c3ccc4cc(OC)ccc4c3)CC2)cc1"]
["20094717","CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cn3ccnc3C)cc2)C1"]
["164572680","N#C/C(=C\\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)o2)c2nsnc12)C(=O)O"]
["14606020","CC1CCN(c2ncc3c(n2)CN(c2cnn(C(C)C)c2)C3=O)CC1"]
["112543656","COCC1(C(O)=NCC2(C3CC3)CC2)CCNCC1"]
["MCULE-7636944005","COc1ccc(CC(O)=Nc2ccc(F)c(-c3ccc(C#N)s3)c2)cc1OC"]
["MCULE-3681557188","CCCCN(C)C(=O)COc1cn(CCC(C)C)c(CN(CC)CC)cc1=O"]
["140646826","CCOc1c(Cl)cc(C=CC(O)=NCC(C)(C)C(O)=NC)cc1OC"]
["84425285","Nc1c(Cl)cc(Cl)cc1C(=O)OCc1ccc(Br)cc1"]
["57780945","CCCN(C)c1nc(C)c(CNCC(C)C)s1"]
["91472975","CCCCCCCCC#CCCCC(=O)Cl"]
["52087687","CC(Cc1c(F)cccc1F)N=C(O)CN"]
["161266480","CC1=CC(=C(C#N)C#N)CC(CCc2cc3c4c(c2)CCCN4CCC3)O1"]
["83286303","O=C(c1ccccc1)C1NNC2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C12"]
["134476232","CCCCCOc1cc(CN(C)Cc2cc(C)on2)ccc1OC"]
["151719182","CSc1ccc(C(=O)N2C[C@@H]3NCc4ccccc4[C@H]3C2)s1"]
["13292401","OC(=Nc1ccccc1)OC1CCCCC1"]
["111071832","CNC(c1ccc(C)nc1)c1cnccc1C(F)(F)F"]
["49081393","C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"]
["160546002","O=C(c1ccc(CN2CCSCC2)cc1)N1CCOCC1C1CCCC1O"]
["47661963","CCc1cc(C#N)cc(CC)c1CC(=O)OC"]
["47331191","Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N=C(O)C1=CC(=C2C=CC=CC2=O)ON1"]
["113199404","Cc1cccc(CNCCCOCCCl)n1"]
["134146357","CCC(CCO)NC(=O)c1ccc(N2CCN(CC)CC2)cc1"]
["121123365","CC(C)CC1CCCN(C(O)=NC(c2nc(C3CC3)no2)C(C)C)C1"]
["49327015","O=C(CN1CCOCC1)c1ccc(C2CCCC2)cc1.O=C(O)/C=C\\C(=O)O"]
["143213137","CSc1nnc(CCCNC(=O)c2sccc2C#N)n1CC(C)C"]
["8765347","CCOC(=O)c1nnn2c1nc(S[C@@H](C(C)=O)C(=O)OCC)c1ccccc12"]
["187904452","OC=Nc1cccc(CCc2cc(N=C(O)c3ccc(N4CCOCC4)cc3)n[nH]2)c1"]
["34372804","O=[N+]([O-])c1cccc(C(O)C2Cn3c(nc4ccccc43)N=C2O)c1"]
["2181081","Cc1noc(CNC(O)=NCc2cccnc2OC(C)C)n1"]
["45318606","CCCC(NCC)c1ccc2c(c1)oc(=O)n2C"]
["MCULE-2727073939","CCCCN=C(O)C(Cc1ccc(O)cc1)N=C(O)c1ccc(=O)n(C)c1"]
["5812385","COc1ccc([C@H](C)N=C(O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)cc1"]
["94309231","CCN=c1ncc(S(=O)(=O)N2CCOCC2CO)c[nH]1"]
["146319216","CCCC(C)(N)C(=O)N1CCCC1CC(O)c1ccccc1.Cl"]
["17349274","COc1cc2c(cc1OC)-c1c(c(C(O)=NCc3ccncc3)nn1-c1ccccc1F)C2"]
["175209898","C=NOC(=O)[C@@H]1CCCN1C"]
["110622884","C/C=C/C[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)OCC"]
["81987614","O=C(O)c1cccc(CN2CCCOC(CN3CCOCC3)C2)n1"]
["66752956","CCOc1ccc(Cn2cc(NC(=O)c3cc(-c4cccs4)[nH]n3)cn2)cc1OCC"]
["MCULE-4686121089","CCCCC(N=C(O)c1cccc(-n2cccc2)c1)C(=O)N1CCN(c2ccccc2Cl)CC1"]
["68732334","CNCC(OC1CCC(C)CC1)c1ccc(C)cc1"]
["MCULE-9333014464","CC1(N=C(O)OCc2ccccc2)CN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1"]
["49190284","CC1=NN=C(c2ccc(F)cc2F)/C1=C1\\C=Cc2nnc(C(C)C)n2N1"]
["154233305","CC(O)=N[C@H](Cc1ccccc1)P(=O)(O)C[C@H](CCCc1ccccc1)C(O)=N[C@H](Cc1c[nH]c2ccccc12)C(=N)O"]
["167163009","CC(Nc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12)c1ncc(Br)cn1"]
["16855732","CC(C)N=C(O)Cn1nnc2cc3c(cc2c1=O)OCCO3"]
["55444534","O=C(O)c1ccc(COc2ccc(C=C3SC(=O)N(CC(=O)N4CCCCCC4)C3=O)cc2I)cc1"]
["4769268","CCS(=O)(=O)c1cccc(C(O)=Nc2nc(-c3ccccn3)cs2)c1"]
["23121898","Cc1ncc(CN(C)C(=O)C=C(c2ccccc2)C(F)(F)F)s1"]
["MCULE-1412372270","Cc1cc(C(=O)N2CC(OC(C)C)C2)ncc1-c1ccc(C(=O)N(C)C)cc1"]
["MCULE-6361290637","CCOC(=O)c1ccc(CSc2nnc(CC)n2N=Cc2ccc(C(=O)O)cc2)o1"]
["177296954","Cc1nn(CCO)c(C)c1-n1ccnc1-c1ccc(N(C)C)nc1"]
["77529327","CC(C(=O)N1CCCCC1)C1CCC2(C)CCC(NC(O)=Nc3cccc(F)c3)C(C)C2C1O"]
["155691515","O=C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3"]
["182268250","CCC(O)=N/N=C(/C)c1cccc(Cl)n1"]
["136218721","CCN1CCN(CCC(O)=NCCNc2nccc(C(F)(F)F)n2)CC1"]
["146645263","CC(CN(C)C(=O)CCCS(C)(=O)=O)C(=O)O"]
["64819125","Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(c2cccc(C)c2C)CC1"]
["9925959","CCN(C)CC[NH+]=C(O)[C@H](C)Oc1cc(C)ccc1C(C)C"]
["MCULE-1237717959","Cc1ccc(NC(=O)c2ccc3[nH]cc(CN4CCCC4)c3c2)cc1"]
["112145214","C=CCSCCN=C(O)C(C)Cl"]
["131059412","Cc1cc(C(=O)NC2CCCC(N(C)C)C2)cc(C)c1F"]
["154496378","CCOc1ccc2oc(C(O)=N/N=C\\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)cc2c1"]
["6835478","Cc1ccc(C[C@H](O)C[NH+]2CCCCC2)cc1"]
["162931074","OCC1CC(F)CN1C1CCCC1"]
["MCULE-2598700192","COC(=O)CCCc1ccnc(Br)c1"]
["167842792","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2[O-])[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCC(C)C"]
["52813838","COCON1C(=O)C(CC(C)C)N(Cc2ccc(OC)cc2)C(C(OS(C)(=O)=O)C(C)C)C1=O"]
["120421177","Cc1cc(=NCC(O)c2ccccc2F)[nH]n1C"]
["MCULE-7613439370","CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2c1ccncc1"]
["31623922","C[C@H](C(=O)N1CCC1)c1cc(Cl)ccc1C1CCN(C(=O)[C@@]2(C(C)(C)C)CNC[C@H]2c2ccc(F)cc2F)CC1"]
["117093964","COc1ccc(CCN(CC(=O)O)C(=O)c2cc3c(c(OC)c2)OC(C)(Cc2ccc(Cl)c(F)c2)C3)cc1"]
["MCULE-3828062649","CCOc1ccc(-c2ccc([N+](=O)[O-])cc2NC(=O)C2CCN(C(C)C)CC2)cc1"]
["143703591","Cc1ccc(N=C(O)N2CC(C(=N)O)CCC2C)cc1Br"]
["75443142","COc1ccc(N(C(=O)Cn2c(=O)/c(=N/Nc3ccccc3)c(=O)n(-c3ccccc3)c3ccccc32)C(C)C)cc1"]
["56104992","CCN(C(C)=O)c1nc(COC(=O)CN(C)c2ccc(Cl)nn2)cs1"]
["MCULE-3246675389","CCCOc1ccccc1C(O)=NCc1cccc(C)c1"]
["MCULE-4792480526","CCOc1ncccc1-c1ccc(F)cc1CC(=O)N1CCS(=O)(=O)CC1"]
["176350932","O=C(O)C(F)(F)F.O[C@@H]1[C@@H](O)[C@@H](O)C(COC(F)F)=C[C@H]1NCCc1ccc(C(F)(F)F)cc1"]
["157649736","CC(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)[C@H](C)C1"]
["199573827","COC(=O)c1c(N)c(C#N)cn1-c1cccc2c(Br)cccc12"]
["113522252","Cc1ccccc1C(=O)N(CC1CCCNC1)C(C)C"]
["157296268","Clc1ccc(CC2COC2)cc1"]
["61907038","CCS(=O)(=O)c1ccccc1C(=O)OCC(O)=NC(C)c1cccc2ccccc12"]
["104713975","CC[C@@H](C(=O)N1CCCC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21"]
["42538513","CCCN=C(O)c1cc(N=C(O)CN2CCC(C(O)=NCC(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CC2)ccc1Cl"]
["MCULE-9131327727","Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC(C)(C)C)cc3)C2c2ccc(O)cc2)cc1"]
["154111174","CC(=O)O[C@H](CN=C(C)O)CN(CCCCCCCCCCCCCCCCCCCCCCCN(C[C@H](CN=C(C)O)OC(C)=O)C(C)=O)C(C)=O"]
["131295515","COCC(C)CN=C(O)c1cc(Br)cnc1N(C)C"]
["113745120","CC(C)NCCNCc1ccoc1Br"]
["65628811","CC1CCN(C(=O)COC(=O)CCN=C(O)C23CC4CC(CC(C4)C2)C3)c2ccccc2S1"]
["176969361","Cc1nc(N(C)C(=O)[C@@H]2Cc3ccc(-c4ccccn4)cc3C2)sc1SN"]
["95099575","CC1(C)C(O)CC1Nc1cc(O)ncn1"]
["MCULE-5412053641","COc1ccc(-c2c(C(O)=NCC3CC3)ccc(F)c2F)c(F)c1"]
["MCULE-3289200690","N#Cc1cc(F)cc(C(O)=Nc2cnccc2-c2ccccc2)c1"]
["MCULE-7752746623","C=CCN(C(CCSC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(Br)cc1"]
["184739854","CC(=O)c1cc(C(C)C)c(C)cc1F"]
["59304174","CN=C([O-])c1csc(C(C(C)C)N(C(=O)O)C(C)(C)C)n1"]
["MCULE-7316502304","CCN(CC)CCN=C(O)Cc1ccc(OC)c(-c2cc(C#N)ccc2F)c1"]
["195967516","O=C(CCSSCCN=C(O)CCC(=O)N1Cc2ccccc2C=Cc2ccccc21)ON1C(=O)CCC1=O"]
["MCULE-4998598504","Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ncc1-c1ccnn1C(C)C"]
["121684521","O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC(N2CC=CC2)C1"]
["27940933","CC(=O)c1c([C@@H]2CCN(C(=N)O)[C@@H](C)C2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn2c1N"]
["87511616","COc1ccc(C(C)O)c(OC2CCC(C)C(C)C2)c1"]
["30417031","CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(C#N)cc2)C[C@H]1C(=O)N1CCSC1"]
["185519181","OCC1(O)CNCC(O)(CO)C1O"]
["135283604","OC(=NCC1Cc2ccccc21)C1CCC(F)(F)CC1"]
["148970340","C=C(C)[C@@H]1CC[C@]2(CCOC(=O)CN3CCC(O)C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]
["MCULE-3336618070","CCC(C(=O)OCc1ccccc1)S(=O)CC(O)=Nc1nc(C)c(C(=O)OC)s1"]
["154493112","CCOc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1OCC(=O)N1CCOCC1"]
["MCULE-2308909116","COc1cc(-c2ccccc2NC(=O)c2nn(C)c3ccccc23)ccn1"]
["138084986","Cc1ccc(CCC(O)=NCC(=O)N(C)C(C)c2cc(F)ccc2F)cc1"]
["111850567","CCOCC(C)OC(=O)c1cc(Br)ccc1N"]
["156101457","CC(C)c1ccc(-c2cc(O)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2O)cc1"]
["163778334","CCn1ccnc1C1CCCCN1C(O)=NCc1nnc2ccccn12"]
["150765335","C[C@H]1[C@H](C)C[C@H](O)[C@]2(C)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12"]
["134518305","CC(NC(O)=NCCCN1CCOC1=O)c1ccc2c(c1)CCCC2"]
["MCULE-6799472606","CCc1ncc(C(=O)N2CCC(CN3CCN(C(=O)c4cnn(C)c4)CC3)CC2)cn1"]
["142012198","CC(O)=Nc1ccc(N2CCCC2=O)cn1"]
["57161147","CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1N=C(O)[C@@H](c3ccccc3)[C@@H]1c1ccccc1)OC2=O"]
["128274803","CC(C)(C#N)c1ccc(NC(=O)N2CCOC(c3nccs3)C2)cc1"]
["MCULE-9207051290","CCN(CC)CCCN=C(O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)C1c1ccco1"]
["160764813","Cc1cccc2c1OC(C(=O)N1CC(O)C(C)(C)C1)C2"]
["31487930","CC(C)NC(Oc1ccc(CCOCC2CC2)cc1)C(C)O"]
["8203032","Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCCC(C)C)cc3)nc2)cc1"]
["76952090","COc1ccc2c(C[C@H](N=C(O)c3ccccc3)C(=N)O)cc(=O)oc2c1"]
["88563049","CCCC1CCCCN1S(=O)(=O)C(C)CCl"]
["73862795","CCCCC1(CCCC)C(=O)[SH]c2cc(O)ccc2N(c2ccc(NC(=O)OC(C)(C)C)cc2)C1=O"]
["113320528","CC1(C)Oc2ccccc2C1NCCSC(F)(F)F"]
["77642043","COc1cc(C=Nn2c([S-])nnc2-c2ccccc2Cl)ccc1OC(C)=O"]
["45529337","CCCN=C(O)N=C(O)COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O"]
["MCULE-5612235212","Cc1cc(N=C(O)c2snnc2C)c(F)cc1-c1ccc(F)nc1C"]
["118749179","CCN=C(NCC(=O)Nc1ccc(O)cc1)NCc1ccc(F)c(C)c1.I"]
["155842146","CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCCC(C)C)cc3)c(=O)c3ccccc23)c(O)c1"]
["63374164","C[Si](C)OC(CC(C)(C)C)c1cccc(Br)c1"]
["78119481","CCC=S([O])(=O)CCCCCCCCCC"]
["159185106","CCCCCCCCCCC(C)Cc1ccccc1.OO"]
["92604192","CC1CCN(c2cncc(CN)n2)CC1C"]
["118047069","CCN=C(NCCCn1cccn1)N(C)Cc1ccc(Br)cc1"]
["74059716","N#Cc1cc(O)c(O)c(C#N)c1/C=C/c1ccc(C(F)(F)F)cc1"]
["136550648","CC(CNS(=O)(=O)c1ccc(F)cc1C#N)N1CCOCC1"]
["48973688","C(#CC12CCCC1N(Cc1ccccc1)CO2)c1ccc2c(c1)OCO2"]
["MCULE-3858292740","O=C(Cc1cccc(F)c1F)N1CCc2cc(-c3cc(F)ccc3F)ccc21"]
["3524137","CN=C(O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1ccc(-c2ccc(C)cc2)o1"]
["187220079","COc1ccc(C2C(C#N)=C(c3c[nH]c4ccccc34)Nc3nc(=N)[nH]c(N)c32)cc1"]
["56454089","CCN(CC(=O)OC)C1CC(C(C)(C)C)CCC1CN"]
["167354033","CCc1c(Sc2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1"]
["MCULE-1492391409","Cc1cc(N=C(O)Cc2cccnc2)cc(-c2ccc(CN3CCN(C)CC3)cc2)c1"]
["23479914","CCc1ccc(C(=O)CN2C(=O)C(C)(c3ccc([N+](=O)[O-])cc3)N=C2O)cc1"]
["77095839","C=CCN(CCCCC)C(=O)C1N(C(CO)c2ccccc2)C(=O)C2C(C(=O)N(CC=C)c3ccccc3)C3(C)CCC21S3"]
["970830","N#Cc1ccccc1OC1=NS(=O)(=O)c2ccccc21"]
["197763025","C=C(Cn1c(=O)n(-c2cncc3ccccc23)c(=O)c2cc(C(F)(F)F)ccc21)C(=O)O"]
["52744606","CC(=O)O/N=C1\\CCOc2c(ccc3c2c2cc(C(=O)c4ccccc4C)ccc2n3CC2CCCCC2)C1=O"]
["146534403","O=C(CCC1CCNC1)N1CCc2c(Cl)cccc21"]
["47633028","COc1ccc(/C=C\\C(O)=NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC"]
["125085455","CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C2(CCCCC2)C1"]
["176227433","C[C@H]1/C=C/C=C/C=C/C=C\\C=C/C=C/C=C/[C@H](O[C@@H]2OC[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)CCCC(O)CC(=O)O[C@@H]1[C@@H](N)C[C@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1)C[C@H](O)[C@H]2C(=O)O"]
["33230861","Cn1c(Nc2c(Cl)ccc(CN=C(O)c3ccccc3F)c2Cl)nc2cc(Cl)c(N3CCCC(C(F)(F)F)C3)cc21"]
["58715580","CN(C1CC2CCC(C1)N2)C1CCOC(C)(C)C1"]
["MCULE-8783980790","CCCCC(NC(=O)c1ccc(OCC)cc1)C(O)=NCC1CCN(CC(C)C)CC1"]
["75099042","c1cc2cc(O[C@H]3CC[C@@H](NC4CC4)CC3)ccc2cn1"]
["50678751","CC(NC(=O)c1ccc(COc2ccc(F)cc2Cl)o1)c1cccc(-n2cccc2)c1"]
["MCULE-4846378563","O=C(OCC1c2ccccc2-c2ccccc21)N1c2ccccc2CC1C(O)=Nc1nc2ccc(Cl)cn2n1"]
["MCULE-4982071980","Cc1cnc(C(O)=Nc2ccc(-c3cnn(C)c3)c(F)c2C#N)s1"]
["154157626","CC[C@@H](C)C(=O)OC[C@]12[C@@H](OC(=O)c3ccoc3)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](CC(C)=O)[C@@H]2OC(=O)c1cccnc1"]
["90114757","O=C(O)c1cc(CN=C(O)C2CC2)ccn1"]
["85328348","CCC(N)(CC)C(O)=NCCOC1CCCCC1"]
["108133332","Cc1cc([C@](C)(O)CN=C(O)N=c2cco[nH]2)c(C)o1"]
["57720906","COC(/C=C/C1C(O)CC(O)[C@@H]1C/C=C\\CCCC(=O)O)CCc1ccco1"]
["30150552","CCOC(=O)N1CC2(CCN(C(CC)C3CCC(C)C3)CC2)c2cc(C)ccc21"]
["170209665","C[C@@]1(CC(=O)O)CC2(N=C(O)c3ccc(F)c4ccn(Cc5ccc(I)cc5)c34)C[C@H]21"]
["46204110","Cc1ccc2sc(N(c3ccc(C(=O)[O-])cc3S(C)(=O)=O)S(=O)O)c(C)c2c1"]
["5980405","COc1cc(C=O)ccc1OCCOc1ccc(C)cc1I"]
["78307549","C=CCN=C(C)OC(C)O"]
["165594440","CS(=O)(=O)c1cccc(N2CCC(N=c3cccn[nH]3)CC2)c1[N+](=O)[O-]"]
["27122671","CC(=O)C(=O)Nc1cccnc1"]
["MCULE-3757623454","COc1ncc(-c2c(F)cc(N=C(O)c3nccnc3C)cc2F)c(OC)n1"]
["79981680","COc1cc(/C=N\\NC(=O)c2cc3c(cn2)[nH]c2ccccc23)ccc1O"]
["91237345","CC(N=C(O)C(C)N)B(O)O"]
["21079476","COc1ccc([NH2+]C(=O)CC[NH+]2CCC[C@H](CN3CCOCC3)C2)cc1"]
["22861016","O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(N2CCOCC2)cc1"]
["28150012","Cc1cc2c(cc1C(O)=Nc1cc[nH]c3nccc1-3)S(=O)(=O)CC[C@@H]2N=C(O)OCc1ccccc1"]
["84058942","C=CCCC1CCCC(CC)(OO)C1"]
["91421710","CCCCCCCCCCCCCc1nc(C=Cc2ccc([N+](=O)[O-])o2)no1"]
["200625942","CN1C(=O)CC2(C1=O)C(=O)N(Cc1nc(-c3ccc(Cl)cc3)no1)c1ccc(F)cc12"]
["44031172","CCCCCC12CCC(c3ccc(C(=O)Cl)cc3)(CC1)CC2"]
["94695967","Cc1cc(C)c(OCC(=O)N(C)CC(C)c2nn[nH]n2)c(C)c1"]
["137704102","CC(C)N=C(O)c1ccc(Cl)c(NCC(O)=NC(C)c2cccs2)c1"]
["143066758","COc1ccc(CCN=C(O)Nc2ccnn2C)cc1F"]
["56801848","CCOC(=O)C[C@@H](NC1CCCC1)C(=O)O"]
["28633341","CCc1ccc(C2CCC(OC(=O)c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1"]
["132169127","OCC1CCN(C(O)=Nc2ccc(Cl)cc2F)C1"]
["57416518","CCc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1"]
["147781435","O=C(O)C[C@@H](c1ccc(Cl)c(F)c1)N(CCC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1"]
["114051434","Cc1ccccc1CCC(O)=NCC(N)CC(C)(C)C"]
["78211351","CCC(C)NCCN=C(S)S.CCC(C)NCCN=C([S-])[S-].[Zn+2]"]
["6226363","CN(CC(=O)Oc1ccc(O[C@@H]2CCCCN=C2O)cc1)C(=O)c1ccccc1"]
["49263225","OC(=NCCCOc1cccc2cccnc12)C1CCCc2ccccc21"]
["182946718","[N-]=[N+]=NO[AsH]c1ccccc1"]
["11900224","CCc1[nH]nc(-c2ccc(F)c(F)c2)c1N=C(O)c1c(F)cccc1F"]
["169885705","c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)nc(-c3cccc(-c4cccc5sc6ccccc6c45)c3)n2)cc1"]
["197356588","C#CCCc1c(C(F)(F)F)nn(C)c1Cl"]
["5486064","CN=C(O)NCc1ccc(OCCOC)nc1"]
["6832957","Cc1cc(S(=O)(=O)N2CCN(CC(O)=Nc3ccccc3)CC2)ccc1F"]
["44011892","NNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cn1"]
["78432727","Bc1cnn2c(NCc3cccnc3)cc(SC)nc12"]
["34123363","C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C(O)=Nc1ccccc1N"]
["76553187","CCCOc1ccc(C=CC(=O)Nc2ccc(C(=O)OCCOC)cc2)cc1"]
["63727605","CS(=O)(=O)c1ccc(Cl)c(N=C(O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)c1"]
["195743854","CC(C)C1(c2ccc(Cl)c(Cl)c2)CCN=C1O"]
["61405192","Cc1cc(=NC(=O)CN2CCN(C(=O)CCOc3cccc(Cl)c3Cl)CC2)[nH]o1"]
["123377356","Cc1cccc(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c1Br"]
["161496498","CC(CN)C(=O)SCOCCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)CNC(C)C(C)C(=O)SCOCCCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C"]
["124306163","CNC(=O)c1ccc(CS(=O)C(C)C(O)=NCc2ccccc2C)cc1"]
["MCULE-8260525031","COc1ccc(-c2c(F)cc(F)cc2F)cc1C(O)=Nc1cccnc1C"]
["139357282","CC(C)(C)OC(O)=NC1CCN(C(O)=NCC2CC2c2ccccc2)CC1"]
["177659091","COc1cc(C)c(-c2ccc(C(=O)NC(C)C(=O)O)s2)c(C)c1"]
["52239517","CCCNC1CCC(C(C)(C)C)CC1CN(C)CC"]
["94827158","NNC(Cc1csc2ccccc12)C1CCCS1"]
["187694205","COC(=O)c1cc(C)c(N=C(C)Br)c(C)c1"]
["120904766","CNC(CC(C)C(=O)O)c1ccc2nc[nH]c2c1"]
["16130618","CCN(CC)S(=O)(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1"]
["195685359","CCc1nc2ccc(C=O)c(F)c2[nH]c1=O.CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(F)c2[nH]c1=O.CCc1nc2ccc(CO)c(F)c2[nH]c1=O"]
["89239986","COc1cc(OC)cc(OC2CCC(C#N)CC2)c1"]
["158996035","COc1cc(OC)c([C@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)c(OC)c1"]
["69820206","O=c1c(C(O)=Nc2ccc(OC3=C4SCCCN=C4NC=C3)cc2)cccn1-c1ccc(F)cc1"]
["19329410","CC(C)[NH+]=C(O)N1CCN([C@@H](C(O)=N[C@@H](C)c2ccccc2)C2CCCC2)CC1"]
["10564621","CCCN1C(=O)[C@@](N=C(O)c2cccnc2)(C(F)(F)F)N=C1c1ccccc1"]
["122479298","CC(C)c1ccc(CCCN=C(O)CSCC(=O)N2CCOCC2)cc1"]
["MCULE-5068772096","COc1ncc(C(=O)N2CCN(c3cnccn3)CC2)cc1-c1ccc(C)c(C)c1"]
["44675069","CC/C=C\\CN=C(C)O"]
["34585362","CON=C(O)c1ccc(C)c(-n2cnc3ccc(CN4CCS(=O)(=O)CC4)cc3c2=O)c1"]
["MCULE-7426704730","C#CCOc1cn(CCCCCC)c(CNc2ccc(OC)cc2)cc1=O"]
["87125194","COc1ccc(NC2CCN3CCCC3C2)cc1Br"]
["142560899","Cc1cnc(COC(=O)c2ccc(-c3ccccc3)n2C)o1"]
["134459439","COCC1CN(C(O)=NC(c2ccc(Cl)cc2F)C(C)C)CCO1"]
["200190509","C1=CCC(N2CCc3nc[nH]c3C2)=NC=C1"]
["174582348","CC.CCC1=CCC(CC)C(CC)=C1CC"]
["102403224","CCOc1ccc(C(O)=Nc2cc(C)ccc2OC)cc1COc1ccccc1C(C)(C)C"]
["9315393","CC(C)CN1Cc2c(n(CC(O)=NC3CC3)c3cc(-c4ccccc4)nn3c2=O)C1=O"]
["81926083","C/N=C\\N(C)C=N"]
["24409401","O=C(Oc1ccc(Cl)cc1N1C(=O)C2CCCCC2C1=O)c1cccs1"]
["119848424","Cc1ccc(N=C(O)c2csc(Br)c2)cc1O"]
["127426165","C=CCCCC(C)N=C(O)C=Cc1nc2ccccc2o1"]
["150728715","CCCC/C=C\\CCC(CC/C=C\\CCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OCCCCCCCCCCC"]
["16789357","N#CCc1ccc(OC(=O)CN=C(O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1"]
["44095779","CC(O)C(CCO)OCCO"]
["MCULE-7203760474","Cc1cc(F)cc(F)c1Cn1nc(C2(C)CC2)c(C(F)(F)F)c1N"]
["195771864","CC12CCC(=O)C[C@@H]1CCC1C3CCC(C(=O)COS(C)(=O)=O)[C@@]3(C)C[C@H](O)[C@@H]12"]
["176541306","CC1(C)c2ccccc2-c2c(n(-c3ccccc3)c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5)n4)cc23)-c2ccccc21"]
["171772330","CCOC(=O)c1c(C)c(C(C)(F)F)nn1C[C@@H]1CCC(F)(F)C1"]
["MCULE-2760985030","CN=C(S)NCc1ccc(S(=O)(=O)NC(O)=Nc2ccccc2C#N)cc1"]
["195106354","CC=C(C)C(=O)OC1CC2C(CC3OC(CO)CC(=O)C3C2O)OC1(C)C(CO)CC1CCC(N)NC1"]
["1727367","CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1C"]
["112925031","CNCc1cccc(CS(=O)(=O)Nc2nccs2)c1"]
["143575380","Cc1ccc(C(=O)N2CCN(CCO)CC2)c(O)c1O"]
["170586599","CCN(CC)P(c1ccccn1)N(CC)CC"]
["174191216","CCC(O[Si](CC)(CC)CC)C(F)(F)c1cccc(C(C)N)c1F"]
["142828530","CCCC1(CN=C(O)C(N=C(O)OC)C(C)C)CCC1"]
["MCULE-4894410548","COc1ccc(C(=O)Nc2ncncc2-c2c[nH]nc2C)cc1"]
["167728849","CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C"]
["31057480","CCCS(=O)(=O)N=c1nc[nH]c(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1"]
["67882901","C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H](C(C)CCCC(C)C)CC[C@@H]23)C[C@@H](OC2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)C(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C[C@@H]1O"]
["148396746","CCn1cc(CN=C(O)N2C[C@@H](C(F)(F)F)[C@H](C(=O)O)C2)cn1"]
["54846073","CC(O)=NN=C(O)CN1CCCC(CC(=O)O)C1"]
["21988489","COc1c(C)c[nH+]c(CN=C(O)CSc2nc(C)cc(C)n2)c1C"]
["182057934","CN(CCN(C)Cc1cccc(C(=O)C(C)(C)CF)c1)Cc1cccc(C(=O)C(C)(C)CF)c1"]
["20159624","COc1cc(CNCCS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC"]
["32659818","CCCCCOc1ccc(C2C(c3ccccc3)C(=O)N2c2ccc(I)cc2)cc1"]
["SN0415833","CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C"]
["138517651","CC1CN(C(=O)c2ccc(CN=C(O)C(C)(C)C)cc2)CCCO1"]
["MCULE-1839131486","COC1(C)CN(C(=O)c2ccc3cc(-c4cncnc4)ccc3c2)C1"]
["129334226","CCn1c(SCC(=O)N2CCC[C@H]2C(=O)OC(C)C)nc2ccccc21"]
["22484259","Oc1cc(CN(CCc2cccs2)Cc2ccsc2)nc(O)n1"]
["116442762","CN=C(NCCCCOc1ccc(C)cc1)N1CCC(OCCCOC)CC1.I"]
["143582851","Cc1nc(C(=O)N2CCC(N3CCOCC3)C2)c(C)s1"]
["184020873","Cc1cc2c(-c3cc(-c4ccc(N=[N+]=[N-])cc4Cl)cs3)ccnc2n1C"]
["140375087","N=C(O)C1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1"]
["188527709","CC1C(=O)OC2CC3=C(CCC4C3(C)CCC(O)C4(C)C)C3CCC1C23C"]
["MCULE-9048993906","CC(C)(C)CC(C)(C)NC(=O)c1ccc(NC(O)=NC2CCCCCCC2)cc1"]
["42155461","Nc1ccc(Oc2nncc3ccccc23)cc1"]
["27383293","Cc1ccc(C(=O)N2c3ccccc3C(N3CCCc4cc(OCCCCC(=O)O)ccc43)CC2C)cc1C"]
["155936088","C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1"]
["173307886","CC1=C(C(=O)O)N=c2cc3c(c(C)c21)=Nc1c-3ccc(O[SiH](c2ccccc2)c2ccccc2)c1C1CCC(C(C)(C)C)CC1"]
["186388287","CC1(F)CCCN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)C1"]
["179385319","C=CCC/C=C/N(CCOC(=O)C1CCC(C(=O)O)CC1)c1ccccc1"]
["15070794","C[C@H](OC(=O)c1ccc(C#N)cc1)C(O)=Nc1ccc(Cl)cn1"]
["76504132","CCCCCCCCOc1ccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(c3ccccc3)C2=O)cc1OC"]
["52037899","COc1ccc(N)cc1CN=C(O)Nc1cccc(Cl)c1"]
["121542779","Cc1noc(C)c1CCC(O)=Nc1ccccc1CS(C)=O"]
["31071386","CCOC(=O)N1CCN(C(=O)C(CC)(N=C(O)c2cc(OC(C)C)nc(-c3ccccc3)n2)C(=O)OC(C)(C)C)CC1"]
["102873075","CCc1nc[nH]c(=NCCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C2)c1F"]
["182633093","[N-]=[N+]=NC(O)=NNCc1cc(Br)ccn1"]
["MCULE-1839482793","O=C1c2ccccc2C(C(O)=NCCCCCO)C2(CCCCC2)N1C1CCCCC1"]
["99243804","C#CC(ONC1=C2C(=Nc3ccc(OCCN(C)C)cc32)c2cc(OC)c(OC)cc21)C(C)C"]
["MCULE-5880985305","Cc1cc(C(=O)N2CCc3ccccc3C2)cc(-c2c(C)nn(C)c2C)c1"]
["166619459","CN1C(N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C)=N[C@](C)(c2cc(/C=C(\\F)c3cc(F)c(Cl)cn3)ccc2F)CS1(=O)=O"]
["67827635","CCC(CC)C(=O)N1CCCCCC1C(=O)O"]
["135787982","CC(Sc1nnnn1C1CC1)C(=O)N1CCCCc2ccccc21"]
["154461244","CCOC(=O)c1ccc(COc2c(Cl)cc(Cl)cc2/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1"]
["24304369","COc1ccc(C(=O)COC(=O)C(C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1"]
["MCULE-7504470864","c1ccc(-c2cncc3n[nH]cc23)c(OC2CC2)c1"]
["105178280","NCCC1CCN(C[C@@H]2CCCO2)CC1"]
["16098731","COc1ccc(-c2nnc(S[C@H](C)C(O)=N[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)n2C[C@@H]2CCCO2)cc1"]
["140549223","C#CCN=C(O)c1ccccc1N=C(O)C1CC1c1ccc(F)cc1F"]
["MCULE-6227975303","COc1cc(OC)c(C(=O)Nc2ccc(-c3ccc(C)cc3F)cc2C(C)=O)cc1OC"]
["98070667","CCN(CC)C(=S)SC1C(=O)c2cc(Br)ccc2OC1c1ccc(OC)cc1"]
["6423750","C/C=C/Cc1nnc(C(=O)N(C)Cc2cnn(-c3ccccc3C)c2)o1"]
["172425324","Cc1cc2oc(=O)cc(C)c2cc1NC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C)C(=O)[C@@H]13)O2"]
["168322952","Oc1nc(/C=c2/cnn3c(=NC4CC4)cc(Nc4cccc(F)c4)nc23)c(O)[nH]1"]
["152508335","O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)Oc1ccccc1)c1ccc(C2CCCCC2)cc1"]
["61568362","O=S(=O)(N=CO)C1=C(Cl)C2CCC1C2"]
["100297710","CC1CC2C(C)C3CCC(Br)NC3CC2C1CCC1=CC=CC1"]
["27471668","COC(=O)CC(O)CC(O)/C=C/c1c(-c2ccc(F)cc2)cn(N2CCC(C)CC2)c1C(C)C"]
["174844829","O=CC1COc2c1cccc2C(F)(F)F"]
["54383572","CC(O)=Nc1c(Cl)c(F)nc(F)c1Cl"]
["57169557","CCOc1cc(NCc2cc(C)no2)ccc1[N+](=O)[O-]"]
["114093377","CN(CCCCCO)c1cc2c(cc1Br)C(=O)C(=O)N2"]
["MCULE-5647627889","COc1ccc(C2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3[nH]2)cc1"]
["96106335","COc1ncccc1COc1c(N)cccc1F"]
["22833711","O=C(O)CCC(=O)OC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"]
["MCULE-7295094846","COc1ccc(CC(=O)N2CCN(CCOC(=O)CCc3ccc(OC)c(OC)c3)CC2)cc1"]
["291028","Cn1c(-c2ccc(C#Cc3ccc4c(c3)C(C)(C)CCS4)cc2)nc2ccccc21"]
["MCULE-8039481490","CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1ncc(-c2ccc(OC)cc2)cn1"]
["158115932","Cc1ccc(C(=O)C2CCC2)nc1"]
["5048643","Cc1cc(C(O)=Nc2cccc(Cl)c2)c(C)n1C1CC1"]
["19338608","C[C@H](NC(=O)C(O)=Nc1ccc(Oc2ccncc2)cc1)c1ccccc1"]
["47919082","CC(C)(C)c1cc(N=C(O)c2ccc3c(c2)CCN3S(C)(=O)=O)n(-c2ccccn2)n1"]
["146072770","Cc1ccc(C)c(OCCC(O)=NCC2CCCNC2)c1"]
["MCULE-1257907241","Cc1nc(OCCN)c(F)c(C2CC2)n1"]
["117650182","Cc1ccc(N=C(O)C(C)C)cc1N=C(O)C(O)c1ccccc1"]
["33692828","CN[C@@H](C)C(O)=N[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(C(O)=N[C@H]3C[C@@H](C(O)=N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](N=C(O)[C@H](C)NC)[C@@H](C)O)C3)[nH]n2)C[C@H]1C(O)=NC1CCCc2ccccc21)[C@@H](C)O"]
["152795028","CCOc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)ccc1OC(C)C"]
["104700271","CN=C(O)CN[C@H](C)c1cc(F)ccc1F"]
["136715897","CCC(O)CN(CCCOC)Cc1ccccc1"]
["20536193","C[C@H](/N=C/c1ccccc1O)C(O)=[NH+]Cc1ccccc1"]
["136635958","Cc1cc(C(=O)N2CCSC(C)(C)C2)ccc1NC(=O)CC(C)C"]
["149972892","COCc1ccc(-c2cc3[nH]c2=CC=c2[nH]c(cc2-c2ccc(C[n+]4ccccc4)cc2)=c2cc(-c4ccc(C[n+]5ccccc5)cc4)c([nH]2)=CC=c2[nH]c=3cc2-c2ccc(C[n+]3ccccc3)cc2)cc1"]
["111091585","Cc1cccc(N(C)C(CN)C(C)N=C(O)OC(C)(C)C)c1"]
["169672699","O=c1c(N=c2[nH]n(-c3ccc(OC(F)(F)F)cc3)c(=O)c3c2CCC3)cncn1CCN1CCCC1"]
["106573766","COCCCOc1ccccc1NC(O)=NC[C@H](c1cccc(F)c1)N(C)C"]
["MCULE-7418520563","COCc1ccc(-c2cccc(N=C(O)C(c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)c2)cc1"]
["85048736","Nc1cnc(Nc2ccc3ncccc3c2)c(Br)c1"]
["157171233","C[C@H]1[C@H](C)CCC[C@@H]1N=C(O)N1CCC(CC(=O)N(C)C)CC1"]
["56742857","Cc1cc(=O)c(C(=O)OCC(=O)N2CCCC(C)C2)nn1-c1ccc(Cl)cc1"]
["183071416","CCCCOC(CC)C(c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccccc1"]
["127878896","COc1ccccc1CCCS(=O)Cc1coc(-c2ccc(F)c(F)c2)n1"]
["161043108","OC1CCN(Cc2ccc(Cl)cc2-n2cncn2)C2(CCC2)C1"]
["MCULE-5567811230","CCCCN1CCN(C(=O)Cc2cc(-c3ccccc3[N+](=O)[O-])ccc2F)CC1"]
["173731489","Clc1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1)C2"]
["138505302","Cc1ccncc1N=C(O)c1cc(-c2ccc(F)cc2)on1"]
["163460075","CN=c1cc(C)nc(Nc2cnc(OC)c(OC[C@@H]3CCNC3)c2)[nH]1"]
["192835060","Cc1ccc2ncnc(N3CCCC(CN=C(O)OC(C)(C)C)C3)c2c1"]
["77526692","COCC[NH+](CC1CCCC1)CC1CCCN(C2Cc3ccccc3C2)C1"]
["MCULE-6622915250","COc1ccnc(N=C(O)c2ccc(-c3ccc4c(c3)OCCO4)cc2OC)c1"]
["175649918","OC(=NC1CCN(c2ccncc2Br)CC1)c1cccnc1"]
["175402369","COS(=O)(=O)NNc1ccccc1"]
["146474084","CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC2CCC(C1)N2"]
["18483905","Cn1c(SCC(=N)O)nc2sccc2c1=O"]
["194229677","Cc1csc(SCC(O)=N[C@H](C)[C@H](Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)n1.O=C(O)C(F)(F)F"]
["32023194","C=C(CCO)CCC(O)C(C)(C)O"]
["175686540","CCc1ccccc1NSc1ccc(NC(O)=NCCCCl)cc1"]
["54859045","O=C(O)c1ccccc1C(=O)Nc1ccc(SC(C(=O)N=C2CC(=O)N(c3ccccc3)N2)c2ccccc2)cc1"]
["168367876","O=C(O)Cc1c(Cl)nc(=O)n2c1NCCC2"]
["17514083","CCOc1ccc(OC[C@H]2CO2)cc1"]
["107991206","O[C@](/C=C\\c1ccc(F)cc1)(Cn1ccnc1)c1cccnc1"]
["14900665","O=C(N[C@H]1CCCc2c1cnn2-c1ccncc1)c1ccco1"]
["29184990","CN=C(O)N1Cc2cccn2N(C)c2ccncc21.O=C(O)/C=C\\C(=O)O"]
["22298335","CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2ccccc2Cl)CC1"]
["110633483","O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2ccc(Cl)nc2Cl)C1"]
["7292734","OC(Cc1cccc(O)c1)=N[C@H](c1ccc(F)cc1)c1ccccn1"]
["27713993","Cc1ccc(-c2ccc(N(C)c3cccc(-c4ccccc4)c3)cc2)cc1"]
["86258094","Nc1sc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]"]
["96826323","CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1Oc1ccccc1.CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1Oc1ccccc1.[Ca+2]"]
["61219257","CCOc1cc2c(cc1CN=C(O)c1cc(Cl)c3c(c1)OCO3)O[C@H](C)C2"]
["175254330","CCCCC(C(=O)O)N1C(=O)C(O)=C(CC)C1CC(C)C"]
["125150401","CC(Sc1ccccn1)C(=O)N1CCCCCC1c1ncon1"]
["MCULE-3649282582","O=C(COc1cn(CCCCN2CCCC2)c(CN2CCCC2)cc1=O)N1CCCCCC1"]
["22489947","CCN(CC)c1ccc([NH2+]C(=O)Cc2cccc(O)c2)cc1"]
["195005282","CO[C@H]1C=C2CO[C@@H]1/C(CO)=C\\CC(C)(C)C(=O)[C@@H](O)C2"]
["6734686","COc1ccc(C(=O)NCC(=O)OCC(O)=Nc2ccc(Cl)cn2)cc1"]
["93394689","CC(C)(C)OCC(=O)N1CCN(c2ccccc2)CC1"]
["193437493","C=C(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)Cc1ccccc1S2.CC(=NCS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)Cc1ccccc1S2.FC(F)(F)c1ccc(Br)cc1"]
["119867963","O=C(C1=COCCO1)N(CCO)CC(F)(F)F"]
["6082013","COC(=O)c1ccc(/C=N/N=C(O)OCC(C)(C)C)cc1"]
["21565189","C[C@H]1C[NH+](C2CCN(S(=O)(=O)C3CCCCC3)CC2)CCO1"]
["126427793","O=[N+]([O-])c1cccc(CCC(O)=Nc2ccccc2-n2ccnn2)c1"]
["130565392","Cc1nc(-c2ccccc2)ncc1C(O)=NCCc1cccc(C(=O)N(C)C)c1"]
["162640510","O=[N+]([O-])c1ccc2c(O)csc2c1F"]
["184038098","O=C1C=c2cc(CN=c3[nH]cnc4ncccc34)ccc2=N1"]
["156653073","C[C@@H]1CC[C@H](CC2CNC2)O1"]
["82920852","CC(C)(C)OC(=O)N1CCC(NC(O)=NCC2CCC3C(O2)c2cc(C(F)(F)F)ccc2NC3C2C=CC=CC2)CC1"]
["61701380","Brc1cc(C(Br)CC2CCCO2)c(Br)s1"]
["125657838","CCOCc1cccc(NC(=O)C(=O)NC(C)c2cc3ccccc3o2)c1"]
["31816003","COc1ccc(-c2nc(C(O)=Nc3ccccc3N3CCNCC3)cs2)c(OC)c1"]
["181119555","CNC(C1CCCN1)(N1CCOCC1)C(NCCCN1CCCC1)(NC1CCNC1)N(NCCCC1CCCN1)NCCC1CCCN1"]
["156564432","C[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H](C)O1"]
["30614350","O=S(=O)(NCc1c[nH]c2ncccc12)c1ccc(F)cc1"]
["170943638","COCCN1CCC2(CCCN(c3c([N+](=O)[O-])cc4c(c3C#N)OC(C)(C)C4)C2)CC1"]
["107427370","CCOC(=O)C1=C(CN(C)CCSC)N=C(O)N[C@H]1c1ccccc1"]
["175561181","CCOC(=O)C1(C)CCN(c2cc(-n3c(=O)n(C)c(=S)n(C)c3=O)c(F)cc2Cl)O1"]
["17994593","CCN=C(O)N1CCN(C(=O)c2ccccc2Br)CC1"]
["121344041","Cc1nc(-c2cnn(C)c2)sc1C(O)=Nc1ccc2nc(C3CCC3)[nH]c2c1"]
["113969965","N#CCCCOc1ccc(N)c(C(=O)O)c1"]
["197685841","C=C1CC(C(N)c2ccccc2)C1.Cl"]
["91985189","NC(C1=COCCC1)c1ccc(OC(F)(F)F)cc1"]
["119871644","Oc1ccc(CNc2ccc(Br)nc2)c(O)c1O"]
["103779540","CCOc1cc(CN(C)C(=O)[C@@H](N=C(C)O)C(C)C)ccc1OC(F)F"]
["51580311","CCC1CCCCC1NCc1ccccc1C(=N)O"]
["65157312","CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccccc3N=C(C)O)cc2)c1C"]
["MCULE-4478866097","CCCc1nc(Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc(N2CCOCC2C)n1"]
["77787703","CC(C(O)=NCc1ccccn1)N1C(=O)N(Cc2ccccc2)C(=O)C2CCC(Cl)CC21"]
["47170750","CCCC(C)C(O)=NC(CC)(CC)CN"]
["MCULE-7248722663","CC(C)COc1ccc(C(=O)NC(Cc2ccc(O)cc2)C(O)=NC2CCC3(CC2)OCCO3)cc1"]
["MCULE-8674836492","CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2CC)C1c1ccco1"]
["169567148","CCCCCCCCCCCCCCCCC/C=C/C(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCC"]
["96738255","N=C(S)NN=C(O)c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1"]
["150317720","COc1ccc(C(C)C)cc1-c1nc2nc(C(=O)O)nc(NC(C)C3CCC3)c2n1Cc1ccc(C(F)(F)F)cc1"]
["91277329","Cc1cc(C)c(C#C[Si](C)(C)C)c(C)c1C#C[Si](C)(C)C"]
["23034465","COc1ccc([N+](=O)[O-])cc1N=C(O)CNC(C)c1ccc(F)cc1"]
["2333863","COc1ccccc1-c1nnc(CCC(=O)Nc2ccc(OC(C)C)cc2)o1"]
["MCULE-4117779950","COc1ccc2[nH]cc(C(=O)N3CCCN(C(=O)C4(F)CC4)CC3)c2c1"]
["115477084","CC(C)c1ccc(N2C(=O)C(=O)/C(=C(\\O)c3ccc(Cl)cc3)C2c2cccs2)cc1"]
["MCULE-9190091008","COc1cc(-c2cnn(Cc3ccccc3)c2)ccc1N=C(O)Cc1ccsc1"]
["MCULE-1809187525","Cc1nc(N=C(O)c2ccc3c(c2)C(C)(C)C(=O)N3C)sc1C(=O)N(C)C"]
["168188699","CCCOc1ccc(C=Nc2ccc(OC)cc2)c(O)c1"]
["178233966","CCN(CC)C(C)(C)C(=O)c1ccc2c(c1)cc(C(=O)c1ccccc1)n2C"]
["130978089","CC(C)(CN=C(O)N1CCC(O)(c2ccccc2)CC1)c1ccccc1"]
["133773654","CC(NC(O)=NCCN=C(O)C1CC1)C(O)=Nc1ccccc1"]
["19850520","Cc1cccc2nc(CN=C(O)COc3ccc(F)cc3Br)cn12"]
["84030496","CC(C)(C)P(=O)(O[Si](C)(C)C)c1ccccc1"]
["46015377","Cc1cc(-c2[nH]c(=N)nc(N)c2C(F)(F)F)n[nH]1"]
["164887277","CCOc1ccc(-n2c(C)nnc2SC(C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1"]
["168897562","COC(=O)[C@@H](O)[C@H]1C2(C)C[C@]3(O)[C@@H]4C2(O)C(=O)O[C@@]42C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]2[C@]13C"]
["181614838","[N-]=[N+]=NOCOC(=O)C1CCCO1"]
["172443546","FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-c2noc(-c3cccs3)n2)n1"]
["165147732","CCOc1cc(/C=N\\N=C2N=C(O)C(CC(O)=Nc3ccccc3)S2)cc(Br)c1OCc1ccccc1C"]
["174885671","CC(C)(C)OC(=O)C(CCN)Cc1ccccc1.O"]
["59338242","Cc1nn(CC(O)=Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c(C)c1[N+](=O)[O-]"]
["114815794","COc1cc(-c2noc(C3COCCC3=O)n2)ccc1F"]
["MCULE-5150808410","Cc1ccc(C)c(-c2cc(N=C(O)CCC#N)ccc2F)c1"]
["95173794","CCc1nccn1C/C=C/CS"]
["136157864","C=CC(O)=NCc1ccc(C(=O)NC(C)C(O)=NCc2ccco2)cc1"]
["132136695","O=C1CCC(=O)N1CCCN=C(O)c1csc(Cc2ccccc2F)n1"]
["23564046","Nc1ccc(N=Nc2cnc(O)nc2O)c2ccc(O)cc12"]
["106794145","C[C@H](SCc1cccc(Br)c1)C(O)=NCC(F)(F)F"]
["131974490","CN(C)Cc1nc(C(C)(C)N=C(O)C2CC(=O)N(CC(F)(F)F)C2)no1"]
["59421814","CC(=O)CCn1sc2ccccc2c1=O"]
["59907052","Clc1ccc2nc3c(c(-c4ccccc4)c2c1)CNCC3.[Cl-]"]
["156079633","Cc1cc(-c2csc(CCCN=C(O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F"]
["199592481","CN=C(O)c1cccc(-c2ccc(NC3=C(C(=O)OC)CN(CCO)C3=O)cc2)c1"]
["102500707","Cc1ccc(C(O)=NCCCN2CCCc3ccccc32)c(I)c1"]
["163682244","CCCN(C)CCN=c1ccc(N2CCc3c(-c4cnc(=N)[nH]c4)nc(N4CCOCC4)nc32)c[nH]1"]
["154441977","CCOc1cc(/C=N/N=C(O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O"]
["131492161","Cc1ccc(CC(=O)N2CCN=C(O)C2c2ccc(F)cc2C)cc1O"]
["148854041","Cc1cc(C)nc(OC2CCCN(C(=O)c3nccc4ccccc34)C2)n1"]
["122699861","COc1ccc(CCCN=C(O)N2CC(N=C(O)C3CCC3)C2)cc1"]
["52852758","CCn1cc(CN=C(O)COc2ccc(Cl)cc2)c(C)n1"]
["150506275","O=S1(=O)Nc2c(ccc3c2N=CCC3)C(c2ccc(F)cc2)N1"]
["134374718","COc1ccc(Br)c(N=C(O)C2CCCN(CC(F)(F)F)C2)c1"]
["MCULE-3049067636","Cc1cccc(-c2cn(C)nc2C(=O)N2CCN(C(C)(C)C)CC2)c1C"]
["20911965","C[C@@H]1CN(CC[NH+]=C(O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)O1"]
["115306566","CCC(C(=N)O)(c1cccc(Br)c1)N1CCCNCC1"]
["MCULE-4627039131","CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1"]
["167512734","CN(C)CC(N)c1cc(F)cc(-c2nccc3c2=C/C(=C2/NNc4ncc(-c5cncc(OCc6ccccc6)c5)cc42)N=3)c1"]
["MCULE-5795148254","CCOc1ccc(-c2cccc(OC)c2C(O)=Nc2ccc(CC#N)cc2)c(C)c1"]
["116408971","CCC(CNC(=NC)NCc1cccc(C)n1)Oc1cccc(F)c1"]
["59241593","CCc1nc(N2CCCC(N(C)C)C2)sc1CNC1CC1"]
["MCULE-6869518504","CN(C)Cc1ccccc1-c1cc(C#N)ccc1N=C(O)c1cnccn1"]
["173782508","C=CCOC(=O)N1CCC[C@H]1C(O)=N[C@H](C(=O)Nc1ccc(COC(=O)N2c3cc(O[Si](C(C)C)(C(C)C)C(C)C)c(OC)cc3C(=O)N3CC4(CC4)C[C@H]3C2O[Si](C)(C)C(C)(C)C)cc1)[C@@H](C)CC"]
["133702938","CC1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C2CCCCC12"]
["MCULE-5844044430","COc1ccc(-c2c(F)cccc2C(O)=Nc2cc(C#N)ccc2C)c(OC)c1"]
["79274947","OC(CCCS)=NCCCCS"]
["116529800","CN=C(NCCc1nc(C(F)(F)F)cs1)NCC1(C)CCCO1"]
["81422517","CON(C)C(=O)COC(=O)C=C(C)C(=O)OCC(=O)N(C)OC"]
["MCULE-5076888501","CC1CCN(c2ccc(NC(=O)C(C)N=C(O)C3CCN(Cc4ccccc4)CC3)cc2)CC1"]
["198828582","O=C1N=C(O)CCC1N1Cc2cc(CN3CCCNCC3c3ccccc3)ccc2C1=O"]
["145104939","CN=c1[nH]cc(Cc2ccc(OC)cc2)[nH]1"]
["62265594","[N-]=[N+]=NC(=O)CCC(C(=O)N=[N+]=[N-])P(=O)(c1ccccc1)c1ccccc1"]
["20620245","CCCOc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c1"]
["101868278","Cc1nccn1-c1cc(N=C(O)CSc2ccc(F)cc2)ncn1"]
["111929030","COc1cc(OCCn2cccn2)cc(C(=N)NO)c1"]
["175378417","C[C@@H]1CCN(c2ncc(C#N)s2)C[C@@H]1C"]
["173032391","CNC1=CNCNC(N)=C1"]
["58512653","Nc1c(Nc2ccccn2)ncnc1N1CCN(c2cccc(Cl)c2)CC1"]
["121029082","c1ccc(-n2cnc3c(NC4CC4)nc(N4CCN(c5ccccn5)CC4)nc32)cc1"]
["118196463","CC(N=C(O)N1CCC(CO)C1)c1ccc(Cl)cc1"]
["194637866","C=CCN1c2cc(NS(=O)(=O)C(F)(F)F)c(Nc3nnc(C(=O)OC(C)C)s3)cc2CC(CCCN2C3=CC(NS(=O)(=O)C(F)(F)F)C(N=Nc4nnc(C(=O)OCCC)s4)C=C3CCC2C)C1C"]
["94350606","CCCCn1c(N)c(NC(CC)CCO)c(=O)n(C)c1=O"]
["28256915","OC1=NC2(Cc3ccc(NC(O)=NCc4ccc(F)cc4)cc3C2)C(O)=N1"]
["MCULE-1154502230","COc1ccc(-c2cccc(C#N)c2F)c(N=C(O)Cc2ccc3c(c2)OCO3)c1"]
["124606233","CN(C(=O)c1ccnc(F)c1)C1CC2CCC(C1)N2C(=O)OC(C)(C)C"]
["32658537","N=C(N)O.O=C(O)[C@@H]1CCCN1"]
["116856001","COC(c1ccc(Cl)cc1)C(C)N=C(O)N(C)CCO"]
["101650245","Cc1nc(N(C)C)nc(C)c1N=C(O)Nc1ccc(F)cc1"]
["MCULE-2196040909","O=C(N=c1nc(N2CC(O)C2)[nH]n1-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1"]
["169621533","CN=C(O)c1ccc(N[C@H]2c3ccccc3N(C(C)=O)[C@@H](C3CC3)[C@@H]2C)nc1"]
["173777813","COC(=O)[C@@H]1CCC[C@H](n2c(CCc3ccccc3)nc3c4c(ccc32)N(C(=O)OC)[C@@H](C)CC4)C1"]
["118372549","CN=C(NCCN=C(O)OC(C)(C)C)NCc1noc(C(C)(C)C)n1"]
["MCULE-2637900514","Cc1cc(C(F)F)n(-c2ccc(F)c(F)c2F)n1"]
["105867220","CC(C)(C)c1ccccc1N=C(O)N(Cc1ccco1)C[C@H]1CCCO1"]
["96785032","CCOC(=O)c1c(-c2ccc(C)cc2)nn(-c2ccccc2)c1C"]
["169563471","CCCCCCCC/C=C\\CCCCCCCCCC(=O)OCCCC/C=C\\CCCCCCCC(O)=NC(CO)C(O)/C=C/CCCCCCCCCCC"]
["MCULE-5158791861","Cc1ccc(OCCOc2cn(CCC(C)C)c(CNc3cc(Cl)cc(Cl)c3)cc2=O)cc1"]
["183506734","CCCCC(CCC#N)CCCNN=[N+]=[N-]"]
["158065309","C[C@H]1CCNC[C@H]1N=C(O)CN(C)C"]
["141073482","CC(CN=C(O)Cn1c(=O)cnc2ccccc21)COCc1ccccc1"]
["125520518","COCCOCC1CCN(C(=O)c2n[nH]c(C(C)C)c2Br)C1"]
["48595680","O=C1CC(C(O)=NCCc2nc3ccccc3[nH]2)CN1c1ccc(Cl)cc1"]
["101585868","CCC(CC)n1c(Cc2ccno2)nc2cc(C(O)=NC(CC(=O)O)CC(C)C)ccc21"]
["24681587","CC12CC[C@H]3[C@@H](CCC4(O)C[C@H](O)CCC34/C=N/N=C(O)CCCc3c[nH]c4ccccc34)C1(O)CCC2C1=CC(=O)OC1"]
["34704809","CC(C)(C)OC(=O)CN(CCCCC/C=N/O)C(=O)OC(C)(C)C"]
["65279684","CCOC(=O)C(C#N)=Cc1cc(OC)ccc1F"]
["47084895","Cc1ccc(-c2csc(SCC(O)=NCC(=O)Nc3ccc(F)cc3)n2)cc1"]
["59255939","Cn1c2ccccc2c(=O)[n+]2ccccc12"]
["132543310","O=C(CCCCc1cnn[nH]1)N(CCO)Cc1ccccc1"]
["109608261","CCc1ccc(N2C(O)=N[C@@H]3c4ccccc4O[C@]2(C)[C@H]3C(=O)Nc2ccc(Cl)cc2)cc1"]
["88846892","Cc1ccc2c(c1)=C/C(=C1/NN=C([C@@H](N)C(C)C)O1)N=2"]
["169548449","CCCCCCCCCCCCCCCCCCCCC/C=C/C(O)C(CO)N=C(O)CC/C=C\\C/C=C\\CCCCCCCCOC(=O)CCCCCCCCCCCCCCC"]
["28062426","Cc1nc(C(C)(C)NC(=O)c2ccc(N3CCC(=O)C3)c(OCC3CC3)n2)no1"]
["93801093","N=C(O)NCCNCc1ccc(Br)cc1Cl"]
["101212704","Cn1cc(C23CCC(=O)N2c2ccccc2C3=O)c2ccccc21"]
["135368943","CSCC1CCCN1C(O)=NCc1ccc(OCC(F)(F)F)nc1"]
["169019483","N=C1N=C(S)/C1=C/c1cc(F)cc(F)c1[N+](=O)[O-]"]
["45409027","CCN1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1"]
["MCULE-7637431328","Cc1cnc(O)c(-c2cccc(CNc3ccccc3)c2)c1"]
["142603224","Cc1cnc(C(N=C(O)Cc2c[nH]c3c(C)cccc23)C2CC2)s1"]
["MCULE-1501877197","COc1nccc(=NC(=O)CCCOc2ccc(Br)cc2)[nH]1"]
["92159350","COc1ccc(C(C)(C)CN=C(O)CCc2nc(C(C)C)no2)cc1"]
["192169403","CCN(CC)C(=O)c1c(C(F)(F)F)nn2ccc(C3CCN(S(=O)(=O)c4ccc(N(C)C)cc4)CC3)cc12"]
["64523211","Cc1cccc(C[NH+]2CCN(C(=O)/C=C/c3cccs3)CC2)c1"]
["MCULE-4441722418","CN(C)CCn1cnc2cc(N=C(O)c3csc(=NCc4ccccc4)[nH]3)ccc21"]
["112995016","CC1OCCC1(O)CN=C(O)C1C2CCC(C2)C1N"]
["155732625","CCOC(=O)C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1"]
["150228929","CC1CCCN(C(=O)N=c2[nH][nH]c3cc(-c4cccc(C#N)c4)ccc23)C1.COc1ccc(F)cc1-c1ccc2c(=NC(O)=NCC3CCCO3)[nH][nH]c2c1.Cc1cccc(-c2ccc3c(=NC(=O)N4CCN(c5cccc(C)c5C)CC4)[nH][nH]c3c2)c1"]
["48590275","O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(Cn2ccc([N+](=O)[O-])n2)cs1"]
["141603751","CCC(OC1CCCC1)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1"]
["27376543","NCc1ccc(Cl)cc1CN=C(O)Cc1ccnc(NCC(F)(F)c2ccccn2)c1F"]
["7809287","CCOc1cc(C(O)=[NH+]C[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc(OCC)c1OCC"]
["80373452","Fc1ccc(N2CCC(NCc3cscn3)C2)cc1Cl"]
["94632403","CS(=O)(=O)c1cccc(Oc2cccc(CCl)c2)c1"]
["MCULE-7075317745","COc1ccc(F)cc1-c1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1C#N"]
["MCULE-3028403523","Cc1cc(C)cc(OCCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)C2c2cccc([N+](=O)[O-])c2)c1"]
["52884043","C=C(C)C(=O)OC(C)c1ccccc1C"]
["162231206","NCc1cc(C=O)cc(C(F)F)n1"]
["16194673","O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cn1"]
["57003450","CCCc1cc2c(c(=O)o1)C(c1ccccc1F)C(C#N)=C(N)O2"]
["147264932","CC(N)CC(=O)N1CCCN(CC(F)F)CC1"]
["82127275","OC(COc1ncccc1Cl)=NCC1CNCCOC1c1ccc(Cl)c(F)c1"]
["MCULE-7838056561","CC(=O)N1CCN(Cc2cc(=O)c(OCC(=O)OCc3ccccc3)cn2CC(C)C)CC1"]
["68930276","CC(C)(C)N1C2C=CC1c1c(Cl)c(Cl)c(Cl)c(Cl)c12"]
["93608952","COC(=O)C1CCC(OCc2ccsc2)CC1"]
["MCULE-9481813835","COc1ccc(CN2C(=O)C(Nc3ccc(OC)c(Cl)c3)=C(c3cc(OC)ccc3OC)C2=O)cc1"]
["156501248","CCn1ccnc1[C@H]1CCC[C@@H](Cl)C1"]
["MCULE-6732941281","O=C(NCc1ccc(S(=O)(=O)NC(O)=NCCc2ccccc2)cc1)c1ccc(-n2cccc2)cc1"]
["13110913","Cc1ccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(O)=NCC4CCCCC4)nnc23)c(C)c1"]
["89615873","CCCN=C(O)c1ccc(O)c(N)c1"]
["119305373","CC(C)CN=C(O)/C=C/c1ccc2ccccc2n1"]
["197915693","CCCCn1[nH]c(Cc2ccccc2)nc1=O"]
["94595446","CC1CCNC(c2nc(CSC3CCCCC3)no2)C1"]
["179730657","CC1=CSC2(C)CC=C(Br)C=C12"]
["23195856","COc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc(OC)c1OC"]
["79917277","CCCCCCC(C)([O])CC(C)C"]
["46933609","O=S(=O)(CC1CC1)Nc1ccc(Br)cc1F"]
["MCULE-9875287411","Cc1ccc(C(C)N=C(O)c2cccc(-c3ccccc3OC(C)C)c2C)cc1"]
["90874300","COc1ccc2cc(C(C)C(O)=Nc3cc(OC)c(OC)cc3C)ccc2c1"]
["152819889","CCCN=C(O)c1ccccc1N=C(O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1"]
["171775210","C=C(C)C(=O)OCCOCCCCCCCCCCC"]
["MCULE-7508627000","Cc1ccc(N=C(O)NS(=O)(=O)c2ccc(CCN=C(O)c3ccccc3C)cc2)nc1"]
["70407626","CCC(OCc1ccccc1)C(O)CC=CCC1OC1COCc1ccc(OC)cc1"]
["32809","CCCCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1.O=C(O)C(=O)O"]
["MCULE-9435653152","Cc1cc(-c2c(F)cc(N=C(O)C3CCC(C)CC3)cc2F)cnc1F"]
["8265004","C#CCn1/c(=N\\C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)sc2cc(CCCC)ccc21"]
["171545826","CC/C(=C\\C(=O)O)c1cc2cc(Cl)ccc2[nH]1"]
["155584329","CC[C@@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1"]
["29759950","Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(Cl)cc3)C2)n1C"]
["8913575","CN(C)[C@@H](C[NH+]=C(O)[C@H]1CC(=O)N([C@H]2CC[C@H](C)CC2)C1)c1ccco1"]
["136165528","Cc1nc(C(C)(C)NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)sc1C"]
["134978688","CCc1ccccc1N=C(O)N1CCN(Cc2ccc(Cl)nc2)CC1"]
["126261773","Cc1cc(C)n(CCCN=C(O)C(CC(C)C)NC(=N)O)n1"]
["175807029","COC1C(C(O)Cc2ccccc2)CC2C3Cc4ccc(OCc5ccccc5)c5c4C2(CCN3C)[C@@H]1O5"]
["95818138","CCc1c(O)nc(O)n(Cc2nccn2C)c1=O"]
["MCULE-9574378768","CCc1ccc(OCCCOc2cn(Cc3ccccc3C)c(CSCCO)cc2=O)cc1"]
["MCULE-5415185870","COc1ccc(CCN=c2[nH]c(Nc3cccc(N(C)C)c3)ncc2[N+](=O)[O-])cc1OC"]
["184359469","Cc1nc(COP(=O)(O)O)cc(C(=O)C(=O)c2cc(COP(=O)(O)O)nc(C)c2O)c1O"]
["103703406","COc1ccc(C)cc1[C@H](O)[C@@H]1CCCN1"]
["121609719","CSCC(=O)N1CCCC(Cc2nccn2C)C1"]
["131840280","OCC1CCCCN1CC(O)=NC(O)=NCc1ccccc1"]
["92464332","CNS(=O)(=O)c1ccc(CN[C@H]2CC[C@H](C)CC2)o1"]
["17827353","CCOc1ccc(NC(=O)[C@@H](C)N=C(O)C2CCCC2)cc1C"]
["132379791","Cc1nc2n(n1)CC(NC(O)=Nc1ccc(C)c(Br)c1)CC2"]
["MCULE-2458013107","COc1ccc(C(O)=Nc2cc(C)c(-c3ccc(N4CCOCC4)nc3)cc2F)cc1F"]
["MCULE-3237427540","CC(=O)N1CCCC1C(O)=Nc1cc(-c2cnc(N3CCOCC3)nc2)ccc1C"]
["60228364","COc1ccc(Br)c(C=C(C)C(=O)Oc2ccccc2C(=O)O)c1"]
["137381301","Oc1nc(-c2ncccn2)nc2scc(-c3ccc(-c4ccccc4)cc3)c12"]
["137870299","CC(N=C(O)c1ccccc1NCc1cccnc1)c1ccc(-n2cccn2)cc1"]
["7818910","COC(=O)Cc1nc2ccc(C)cn2c1/N=N\\c1ccc(F)cc1"]
["22416523","CCN1CCN(C(=O)c2ccc(CSc3n[nH+]c(-c4ccccc4[N+](=O)[O-])n3CC)cc2)CC1"]
["54075994","CN(Cc1cccc(Br)c1)C(=O)c1cccc(Cl)c1Cl"]
["152944747","CCN1CCC[C@H]1CN=C(O)c1cccc(-c2ccc(C(N)=O)o2)c1"]
["179434476","C/C=C(\\CC(NC(=O)c1ccc(OCCCC)cc1)C(O)=NCC1=CC(C)CC=C1OC)OCCCc1ccccc1"]
["CSSS20621746793","Cc1cccc(C(=O)N2CCCCC(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)C2)n1"]
["MCULE-8757311214","O=C(Nc1cc(Cl)cc(Cl)c1)c1nc(C(=O)NCCN2CCOCC2)n2ccccc12"]
["102989171","CCCNc1c([N+](=O)[O-])cc(C)c(C)c1[NH3+]"]
["182052212","[N-]=[N+]=NOCc1ccc([C@@H]2CC(Cc3ccccc3)CCN2Cc2ccccc2)cc1"]
["108125689","CN(CC(O)=Nc1nc(-c2ccccn2)cs1)[C@H]1CCSC1"]
["65605212","CCOc1ccc(C(O)=NN=C(O)C2CCCO2)cc1OC"]
["116583400","CN=C(NCc1ccc2c(c1)OCO2)N(C)CCOCC1CC1.I"]
["131817982","COc1cc(C)c(C(O)=NC(C)CC(O)c2ccc(F)cc2)cc1OC"]
["67364523","Nc1c(C=C2C=CC(=O)C(O)=C2)c(=O)nc2sc(SCc3ccccc3)nn12"]
["MCULE-4297732653","CCOC1CCCN(C(=O)c2ccncc2-c2cccc(CC#N)c2)C1"]
["144523912","CC(C)C(O)C(C)(C)CNC(O)=NCc1ccnc(Oc2ccc(F)cc2)c1"]
["53620091","CCCCCN(C)C(=O)c1cc(F)ccc1C#CCN"]
["114170664","N=C(S)c1ccc(N2CCCC3CCCC32)cc1Br"]
["MCULE-7470748141","Cc1ccsc1-c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCN3Cc3ccccc3)CC2)cc1"]
["141620583","O=C(C1CCCN(C(O)=Nc2ccccc2F)C1)N1CCc2c(F)cccc21"]
["66385368","Cc1cc(F)ccc1NC(=O)N1CCCCCC1C(=O)O"]
["93371910","Cc1nn(-c2ncnc(O)c2I)c(C)c1CC(=O)O"]
["MCULE-1576151907","Cc1cncc(-c2ccc(C)c(N=C(O)C(C)N3Cc4ccccc4C3=O)c2)c1"]
["181042810","O=Cc1c[nH]c(C(Cl)=C(Cl)Cl)c1"]
["27759011","CN(C)CC(C)(C)CN=C(O)c1ccc2cc1OCCCCOc1ccc(cc1)CN=C1N=C(OCC(F)(F)F)NC(=N2)N1"]
["198406559","Cc1c(Cl)cccc1N1CCN(C(=O)Cn2nc(C(O)N3CC[C@H](O)[C@H](F)C3)c3c2CCC(F)(F)C3)CC1"]
["419515","Cn1cc(N=C(O)c2ccccc2)cc1C(=O)NCCN1CCCCC1"]
["108716231","CCN(C(=O)c1nn(C(C)C)c(=O)c2ccccc12)[C@@H](C)c1cccc(C(F)(F)F)c1"]
["MCULE-2153654302","CCOC(=O)c1ccc(N2CC(C(O)=NC(C)(C)C(=O)N3CCCCC3)CC2=O)cc1"]
["167449348","CCOC(=O)C(NS(=O)(=O)C(F)(F)F)c1ccccc1"]
["175979684","CCCCCCCCN(CCO)CCCCCCC(C)(C(=O)O)C(=O)O"]
["154159217","CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O"]
["16739067","Cc1ccc(-c2cc(-c3nnc(SCC(O)=Nc4cc(C)cc(C)c4)n3N)n[nH]2)cc1"]
["MCULE-8732284936","CCc1ccc(N=c2[nH]c(N3CCN(Cc4ccccc4)CC3)nc(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-]"]
["MCULE-2920307119","COc1ccc(N=C(O)c2ccc(-c3cc(F)cc(C#N)c3)cc2)c(C)c1"]
["78858747","CCC1(N)CC1c1ccc(N=C(O)c2ccc(N3CCN(C)CC3)cc2)cc1"]
["57320906","CCCn1c(CCNC(C)(C)C)nc2cnccc21"]
["MCULE-7046277178","CCOc1ccc(-c2cncc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)c2)cn1"]
["120517114","CC1(c2nc(CCC(=O)O)co2)CCCCO1"]
["83004316","COC(=O)C(CC(C)C)C(O)=NC(Cc1ccc(NS(=O)(=O)O)cc1)c1csc(C2CC=CS2)n1"]
["14102457","O=C(NN=C(O)c1ccc(Cl)nc1)c1ccn(-c2cccc(F)c2)n1"]
["150704705","CC(C)c1ccc(COC2CCCC2)cc1"]
["147910012","OCC(CN=C(O)C1CCCC(F)(F)C1)Cc1ccc(F)c(F)c1"]
["100252954","CCCN=C1CC(C)N=C2C(S(=O)(=O)c3c#cccc3)=C(NC)NN12"]
["155723468","C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@H]2[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3"]
["174508250","CC.CCC1CN(C2=NC=C(CO)CC=C2C)CCN1C1CCN(C(=O)c2ccccc2)CC1"]
["MCULE-1270207589","Cc1ccc(NC(=O)Cc2ccc(F)cc2-c2cccc(OC(F)(F)F)c2)cc1C#N"]
["143702998","CCCn1c(C)nnc1CN1CC(C)CCCC1C"]
["MCULE-2977657801","Cc1ccc(F)cc1C(O)=Nc1ncc(-c2ccccc2C(=N)O)c(C)n1"]
["MCULE-9904987751","CCCCCC(CC)N=C(O)C(CCCC)N=C(O)COc1ccc(CCC)cc1"]
["87767327","CCCC(Br)C(=O)c1ccc2c(c1)CCN2C(=O)C1CCCCC1"]
["19319110","C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc3c(c2)OCCO3)C[C@H](C)O1"]
["179056063","CC(C)(C)c1ccc2c(c1)Sc1cc3c(cc1S2)C1(CO1)N(OS(C)(=O)=O)C1OC31"]
["196946776","CC/C=C\\C/C=C\\C/C=C\\CCCCCC(O)=NCCOP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC"]
["180203202","CNCCC1C(PO)=CC(F)=CC1F"]
["61340252","CCC(C)N=C(O)c1ccc(C)c(N=C(O)CN2CCC(C(=O)N3CCCC3C(O)=Nc3cc(Cl)ccc3C(=O)N3CCC(C)CC3)CC2)c1"]
["115377478","Cc1ccc2[nH]c3c(c2c1)CCC(NC(=O)c1ccc(C(C)C)cc1)C3"]
["106493993","Cc1cc(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C(C)C)cc1Cl"]
["138023617","CC(C(O)=NCCC1CCCCO1)c1cc2ccccc2o1"]
["MCULE-2329748546","CCc1nc(Nc2cc(Cl)ccc2Cl)cc(N2CCCC2C(=O)c2ccc(OC)c(C)c2)n1"]
["67526191","CCOc1ccccc1NC(=O)C(=O)N/N=C\\c1ccccc1Cl"]
["44361755","CCCc1nc(SC(C)C(O)=Nc2ccc(F)cc2F)n[nH]1"]
["119228283","CC(Cc1n[nH]cc1C=O)Oc1ccccc1"]
["48953893","CC(C)NS(C)(=O)=O.CC(O)COc1ccccc1OCCCN1CCN(c2ccccc2)CC1"]
["121859185","OC(=NCc1ccc(-n2ccnc2)cc1)c1csc(C2CC2)n1"]
["198587864","Cc1ccccc1-n1cc2c(Cl)nc(N3CCCC3)nc2n1"]
["75777240","CSC(=O)/C=C/C1C(C(=O)O)C1(C)C"]
["62491161","COc1cccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccccc3)n2)c1"]
["42581130","NCCCCC(N=C(O)C1CCCN1C(=O)C(Cc1ccccc1)N=C(O)C(N)CCC(=O)O)C(=O)O"]
["183032262","[N-]=[N+]=NC1(c2cnccn2)C=NC(Cl)(Br)C=N1"]
["67904487","CC(C)COCCCN=C(O)N1CCOCC1"]
["132619014","COc1ncccc1N=C(O)N1CCCC1C"]
["198565909","Oc1ccc(NSc2cnc(-c3ccc(F)cc3)s2)cc1Cl"]
["68054550","NCC1(N2CCCC3CCCC32)CCCOC1"]
["196327321","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCC"]
["137140643","CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(Br)cn2)CC1"]
["140193025","Cc1cnc(CN=C(O)Cc2csc(-c3ccccc3Cl)n2)s1"]
["84561705","Cc1nn(C)c(C)c1CN=C(O)C1CCCN1"]
["196843953","Nc1cc(SN=C(O)c2ccc(N3CCN(CC(O)(c4ccccc4)c4ccccc4)CC3)cc2Oc2c[nH]c3nccc-3c2)ccc1NCC1CCOCC1"]
["143861865","COC(=O)Nc1ccc(CN=C(O)CNc2ccc(Cl)c(F)c2)cc1"]
["126117366","CC1CCCN(CCCCN=C(O)c2cc(O)nc(C(C)C)c2)C1"]
["MCULE-5709673727","COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCCc1ccccc1"]
["11380245","CCOCC(O)=NN=C(O)c1cc([N+](=O)[O-])cc2c1OCCO2"]
["MCULE-1788406727","Cc1ccc(CC(=O)N2CCCC(CCN=C(O)c3cncs3)C2)cn1"]
["172213566","CC1(C)c2ccccc2Sc2ccc3c(c21)c1ccc(C(F)c2cccc(-c4ccccn4)c2)cc1n3-c1ccccn1"]
["186644498","c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccc6ccccc6c5c5ccc6ccccc6c54)nc4c3sc3ccccc34)n2)cc1"]
["84675382","Nc1cc(N=C(O)N2CCCC2)ccc1F"]
["97284352","CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)CCN"]
["160065363","OC(=NC1CCCSC1)N1CC2CCC(O)C2C1"]
["125579521","N#Cc1ccc(NNC(O)=Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1"]
["132270323","Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC(C#N)C(C)(C)C"]
["138544018","CC(N=C(O)NC1CC(C)N(C2CC2)C1)C(=O)N1CCCCC1"]
["54660177","CNCc1nc(O)cc(C(F)(F)F)n1"]
["133165590","CC(C)C(C)(O)CNC(=O)C(O)=Nc1ccc(-c2cn3ccsc3n2)cc1"]
["27446844","Br.Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1"]
["112485920","CCC1CN(C)CCCN1C(C)CC(C)(C#N)NC1CC1"]
["132228478","N=C(O)CC1CCCN(CC(O)=NCCc2ccc(OC(F)F)cc2)C1"]
["176146167","C=C/C=C(/SC1C(=O)CC(c2ccsc2)(c2ccccc2F)N=C1O)C(=C)Cl"]
["51173466","Cc1nc2ccc(OC(O)=NN3CCC(N=C(O)c4ccccc4)CC3CCc3ccc(C(=N)N)cc3)cc2[nH]1"]
["46827086","COC[C@H](C)NC(O)=NCCO[C@H]1CCCC[C@@H]1C"]
["146946796","Cc1cc(C)n(-c2ccccc2CN=C(O)C2CCCC(C(=O)O)C2)n1"]
["172540272","CCCCCC(O)=NC1(C#N)CC1"]
["MCULE-2238306108","COc1cccc(OC)c1-c1ccc(C(=O)NCCCOC(C)C)nc1"]
["90736684","CCCCCCCCCCCC(O)C(O)C(=O)OC(C)(C)C"]
["191343072","C=CC#N.CC(C)OP(=O)(OCCC#N)OC(C)C.CC(C)OP(=O)([O-])OC(C)C"]
["151913342","N=c1nc2c(c(Cl)[nH]1)[C@@H](Cl)C=N2"]
["90104751","Cc1ccccc1C(O)C1COCCN1"]
["88899574","O=C(O)c1ccc2[nH]c(-c3nccs3)nc2c1"]
["114840145","COc1ccc(CCC(O)c2cc(Cl)cc(Br)c2)cc1"]
["105945977","COc1ccc([C@H](C#N)Cc2ccc(C(C)(C)C)cc2)cc1OC"]
["172768472","CC[s+]1c(Nc2nc(NCc3ccc(OC)cc3)cc(N3CCNCC3)n2)nc(C)c1C(=O)[O-]"]
["85964792","C=C(C)COc1cccnc1F"]
["78215720","O=C(OI(OC(=O)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F"]
["18607770","Cc1ccc(-c2noc(-c3cccc(N)c3)n2)cc1"]
["78730628","CCCCCCCCC(CCCCCC)CN1C(=O)C2=C(c3ccc(-c4ccc(-c5ccc(C)s5)s4)o3)N(CC(CCCCCC)CCCCCCCC)C(=O)C2=C1c1ccc(C)o1"]
["32897493","CC[C@@H]1CCC[C@@]2(C[C@H](O)C[C@H](C)O2)O1"]
["18311122","CCn1nc(C(=O)N(C[C@H]2CCCO2)c2nc3c(OC)ccc(Cl)c3s2)cc1C"]
["MCULE-7045199583","COc1ccc(CCN2C(=O)C(Nc3cccc(OCc4ccccc4)c3)=C(c3ccc(C)cc3)C2=O)cc1OC"]
["50390336","CN(C)c1ccc(C(F)(CF)C(F)(F)F)cc1"]
["7246108","COc1ccc(Cl)c(NC(=O)C(=O)NCCO[C@@H]2CCCC[C@H]2C)c1"]
["66810412","CCCOc1c(Cl)cc(CNCCCOc2ccccn2)cc1OCC"]
["134639171","CCCN(Cc1nc(C)c(C)o1)C1CCN(C(=O)OC(C)(C)C)C1"]
["170191903","ON=Cc1nc(CCCCCN2CCOCC2)ccc1O"]
["179005142","C/C=C/C=C\\c1cc2c(cc1Br)cc(Br)c1cccc(C)c12"]
["23129692","CC1CCc2c(sc(/N=C/c3c(O)ccc4ccccc34)c2C#N)C1"]
["MCULE-7572353282","CCOc1ccc(-c2cnc(N=C(O)CCC#N)nc2C)c(C)c1"]
["169938350","CCCCC/C=C\\C/C=C\\CCCCCCC(C(=O)CCCCCCCCCCCCCCCCC)C(=O)OCC(O)CO"]
["171721452","[2H]c1c(C(C)(C)C)c([2H])c2[nH]c3c([2H])c(C(C)(C)C)c([2H])c([2H])c3c2c1[2H]"]
["30520834","COc1ccc(C(=O)O)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1"]
["MCULE-8228717746","CC1CN(C(=O)c2ncc(F)cc2-c2cnn(C3CCOCC3)c2)CCN1C(=O)OC(C)(C)C"]
["175652895","CCCCNCC(O)=Nc1ccccc1N1CCCCC1.O=C(O)C(=O)O"]
["170801824","CCCO[C@@H](c1ncc(C)cn1)[C@H](C)S(=O)(=O)Nc1nnc(C2CC(C)(O)C2)n1-c1c(OC)cccc1OC"]
["188072535","CC(C)(C)CC(O)=NCCCCOc1ccc2nc(CN3CCc4ccccc43)nc(O)c2c1"]
["MCULE-3297618999","Cc1ccc(-c2ccc(CN3CCCC3)cc2)cc1N=C(O)Cc1ccc(F)cc1"]
["126098837","O=C1Cc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2N1"]
["45212851","NCCCCN(CCc1ccc(F)cc1)S(=O)(=O)c1cccc2cnccc12"]
["92451758","C=CCN(CCO)c1ccccc1S(=O)(=O)C(F)F"]
["17696859","OC(=NCCc1ccccc1)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1"]
["82439597","CCOC(=O)C(C)NP(=O)(COC1CC(F)=C(n2cnc3c(N)ncnc32)O1)Oc1ccccc1"]
["103284879","Cc1c(-c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)nc2c(N)cccn12"]
["90168324","Oc1nc(C2CCCCCC2)c(C(O)C2CCNCC2)[nH]1"]
["180901015","CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(OCC(C)C(=O)[C@H](CNC(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1"]
["61751009","COc1ccc(/C=C(\\N=C(O)c2ccc(C)cc2)C(O)=NCCC[n+]2cc[nH]c2)cc1OC"]
["81105835","Cc1cc(N(C)C2CC2)ccc1C=CC(=O)O"]
["156271101","CCC(C)(C)[C@@H](Nc1c(Nc2ccc(Cl)c3c2C(=O)N(CCn2nnnc2O)C3)c(=O)c1=O)c1ccc(C)o1"]
["122671679","CCCn1c(C)cc(C(=O)CN(C)Cc2nc[nH]n2)c1C"]
["131309829","Cc1noc(C)c1CN1CCN(C(=O)c2cc(N)nc(Cl)c2)CC1"]
["MCULE-6779552243","Cc1cncc(N=C(O)c2ccc(F)c(-c3ccc4c(c3)OCO4)c2)c1"]
["51630678","Cc1noc(C)c1C(O)=Nc1n[nH]c(C(C)C)n1"]
["62926894","CCCCCCCCCCCCCCCCCCCC/C=C/N/C=C/CCCCCCCCCCCCCCCCCCCC"]
["197052694","CCCCCCCCOC(=O)c1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O"]
["46886361","O=S(=O)(O)OC1C(CO)OC(OC2C3COC2C(O)C(O)O3)C(O)C1O"]
["135327329","CC(=O)C(C)CCCCC(O)=NC1CCCc2cc(F)ccc21"]
["177174092","COC(=O)C1(NC(c2ccncc2)c2nc3cc(C(=N)N)ccc3n2CC(O)=NC2CCCCC2)CCNCC1.Cl.Cl"]
["2482666","Cc1[nH]nc2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2"]
["126451851","CCc1ccc(NS(=O)(=O)c2ccc(O)c(N=C(C)O)c2)cc1F"]
["166843710","CS(Cl)(Cl)c1ccc(N(c2ccc(S(Cl)(Cl)Cl)cc2)c2ccc(S(Cl)(Cl)Cl)cc2)cc1"]
["128222960","Cc1nc(Cc2nn(CN(CCC#N)CC3CC3)c(=S)o2)cs1"]
["104792448","CCCCC1CCC(CNC[C@@H]2CCCO2)CC1"]
["168285179","Oc1ccc(Br)cc1/C=N\\NC(S)=Nc1ccc(Cl)cc1Cl"]
["MCULE-4924825408","Cc1cc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)cc(-c2cccc3c2cnn3C)c1"]
["MCULE-1616902104","COC(=O)c1csc(-c2c(F)ccc(C=O)c2F)c1"]
["143580289","Cc1nccn1CC(=O)Nc1ccnn1C1CCCC1"]
["49408550","CCC(N=C(O)c1ccc(OCC(=N)O)c(OC)c1)c1ccc(C)cc1"]
["26825180","CC(C)(C)c1cc(-c2cnc(CCl)o2)on1"]
["129622743","C#Cc1cccc(N(CC)CC(O)=Nc2ccc(F)cc2F)c1"]
["156384977","ClCCCn1ccc2cc(Br)ccc21"]
["143004097","CCCC(O)(CCC)CN=C(O)C1(c2ccc(F)cc2)CC1"]
["18985297","CCCCc1nc2c(C)c(NC(O)=Nc3ccccc3Cl)cnc2n1Cc1ccccc1OC"]
["MCULE-7747525663","COc1ccc(-c2ccc(C(O)=Nc3cccnc3)cc2[N+](=O)[O-])cc1C#N"]
["131905286","CN(C(=O)c1ccncc1)c1ccc(CN=C(O)N2CCOCC2)cc1"]
["16619596","CCCCc1ccc(NC(S)=NN)cc1"]
["109235221","O=C1Oc2ccccc2C(=O)/C1=C\\Nc1ccc(O)cc1"]
["123749545","CC1CN(c2nc3ccccc3nc2N2CCOCC2)CCCO1"]
["82147589","CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1cccc2nc(OC(F)F)ccc12"]
["115051168","Cc1nc(N2CCCC(CNC(C)C)C2)ccc1Br"]
["SN0144259-01","CCC(C)OC(=O)C1=CC(C(=O)O)Cc2c1cccc2/C(O)=C\\C(=O)O"]
["81617737","CC(N)C(NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)CO"]
["115651081","OC(/C=C/c1ccc(F)cc1)=NCc1cccc(-c2nc(-c3ccccc3)cs2)c1"]
["178815611","CON(C)C(=O)[C@H]1CCI(CCC(=O)OC(C)(C)C)C1"]
["74592660","CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2([C@H](O)CN2CCC3CCCCC3C2)CC1=O"]
["57469592","CNCC(O)C(Nc1cccc(C)c1C)c1ccccc1"]
["159313917","FC(F)Oc1c(C(F)(F)F)ccc(Cl)c1CBr"]
["MCULE-8090402353","Cc1cc(=O)c(C(O)=N[C@@H](CC(=N)O)C(=O)O)nn1-c1cccc(C(F)(F)F)c1"]
["161854185","O=C1C(=O)c2cc3cc4ccccc4cc3cc2C=C1Br"]
["10886978","COC(=O)c1ccc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)s1"]
["64494466","CCN1CC2(CCC1=O)CCN(C(O)=Nc1ccc(C)c(Cl)c1)CC2"]
["168914644","COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(C(C)C)n(CCN(C)C)n2)cc1"]
["94444551","CCCCCOCc1ccc(/C=C/C(=O)O)cc1F"]
["MCULE-6822975353","COCCOc1ccc(-c2ccc(N=C(O)c3ccccc3C)cc2F)cc1"]
["16658898","C[C@H]1CCCCN1C(=O)C[NH+](Cc1cccs1)C1CC1"]
["116211957","CCN1CCN(c2nc(C)cc(C(=O)Nc3ccc(C)cc3C)n2)CC1"]
["47841402","CCCNC(C)c1ccc(-c2ccc3sccc3c2)s1"]
["MCULE-7722496495","COc1cc(C(=O)N(C)CC2CCN(C(=O)CCn3cccn3)CC2)ccn1"]
["108941005","CCn1cncc1C(=O)N1Cc2nc3cc(-c4ccc(F)cc4)[nH]n3c(=O)c2C1"]
["MCULE-7476919649","CN1C(=O)Cc2cc(-c3csc(N=C(O)c4ccc(Cl)cc4[N+](=O)[O-])n3)ccc21"]
["139447188","CC(CC(O)c1ccco1)N=C(O)c1cc(-c2ccccc2)ccc1Cl"]
["199148918","CC(CC(=O)N1Cc2nc(Cl)[nH]c(=N[C@H](C)c3cccc(C(F)F)c3F)c2C1)N1CCNCC1"]
["139367922","CC(N=C(O)CN=C(O)OCc1ccccc1)c1nc(C2CCCC2)no1"]
["MCULE-9181629603","CCN(CC)C(=O)c1ccc(-c2cc(C)cc(C(=O)N3CC(OC)C3)c2F)cc1"]
["141682413","CC(CN1CCCCCC1)NC(=O)C(=O)Nc1nc(-c2cccs2)cs1"]
["163264541","CC(C)(C)c1c(O)cncc1C=O"]
["2898652","O=C(OCC(O)=Nc1ccc(F)cc1[N+](=O)[O-])c1cc(O)c2ccccc2c1O"]
["57160785","N=C(O)OC1(CO)CCOCC1"]
["2827381","Cc1cccc(OCCN=C(O)c2cccc(F)c2)c1"]
["MCULE-5585359776","COCc1ccc(-c2cncc(NC(=O)c3nccs3)c2)cc1"]
["84099584","CCCCCCOc1cnc(-c2ccc(C(F)(F)F)cc2)cn1"]
["8511760","Cc1nc(CC(=O)N2CCN(C(=O)CCCOc3ccccc3)CC2)cs1"]
["29369873","Fc1ccc(-c2c3cccc(Cl)c3nn2Cc2ccccc2F)cc1"]
["157168439","C[C@@H]1CCc2c(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)csc2C1"]
["145683105","COC12CC[C@]3(C[C@@H]1C(C)(O)C(C)(C)C)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C(=O)C1CC1)[C@H]2O5"]
["60823831","COC(=O)C/C(C)=C\\C=C(C)C"]
["7562583","CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)[C@@H]1CCCN21"]
["142456403","COC(=O)CCCc1nc(CN(Cc2ccccc2)C(C)(C)C)no1"]
["185546494","CCCCOC(=O)N1CCN(Cc2cc(N)cc3ccoc23)C(C)C1"]
["45137464","CC(S)c1c(C(O)=NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]
["170920901","CCCCOC(=O)C(C)(C)Oc1cc(Br)cc(C=O)c1"]
["MCULE-2779564335","O=C(c1ccc(-c2c(F)ccc(F)c2F)cn1)N1CCN(c2ncccn2)CC1"]
["176199083","CC(=O)N1CCC(N2CC(c3[nH]c(=N)nc(OC4CC4)c3C(O)=Nc3c(Cl)cccc3Cl)=CN2)CC1"]
["190334733","COc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1Br"]
["53263123","COc1cc(C=CC(=O)N2CCOCC2)ccc1OCc1ccccc1"]
["77203658","O=C(NCc1nc(Cc2cccs2)no1)c1ccc(CN2CCCC2)cc1"]
["25229715","N=C(N)c1ccc2ccc(OCCO)cc2c1"]
["5256627","O=C(CC1CCCC1)OCC(O)=Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl"]
["89967012","OC(=NCCCc1cccnc1)c1c[nH]c2ccccc12"]
["13538562","COc1ccc([C@H](N=C(O)Cn2ccc3ccc(F)cc32)c2ccncc2)cc1"]
["119332056","OC[C@@H]1C[C@H](O)[C@@H](O)C(c2cccc(Cc3cc4ccccc4s3)c2)O1"]
["43341733","O=C1CC(NC(O)=NCc2ccccc2)CN1c1ccc(F)cc1"]
["MCULE-8865600395","COCCOc1ccc(-c2cnc(N=C(O)CCc3cccnc3)nc2)cc1"]
["172070322","Cc1ccc2c(n1)oc1c(-c3ccc(CCCCCCc4ccc(-c5cc(CCCCCCc6ccc(-c7ccccc7)nc6)ccn5)cc4)cn3)cccc12"]
["140633402","CCc1ccc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1[N+](=O)[O-]"]
["34205974","COC(=O)[C@@H]1CCN(c2nc(-c3cc(OC)c(OC)c(OC)c3)cn(Cc3ccc(OC)cc3)c2=O)[C@H](C)[C@@H]1C"]
["MCULE-6601619520","Cc1ccc(CC(O)=NCCCN=C(O)Cc2ccccc2C(F)(F)F)cn1"]
["4225849","CCn1cc(S(=O)(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)c[nH+]1"]
["MCULE-6870263842","N#Cc1cccc(NC(=O)c2ncc(-c3ccnc(F)c3F)cn2)c1"]
["136767642","Cc1cc(N2CCCC2)ccc1NC(O)=NC[C@H]1CCCN1CC(C)C"]
["111655031","CCOCC(O)=NCc1c(Cl)cccc1OC"]
["70088756","CC(C)(C)CN1Cc2c(ccc3n[nH]cc23)CC(CC(=O)N2CCC(=C3C=c4ccccc4=NC3=O)CC2)C1=O"]
["169100704","CCOC(=O)/C(C#N)=C\\c1ccccc1P(c1ccccc1)c1ccccc1"]
["69392031","Cc1nc(S)sc1CC(=O)Nc1ccc2ncccc2c1"]
["MCULE-9503777792","Cc1ccc(N=C(O)c2cccc(COc3cccc(C(F)(F)F)c3)c2)c(O)c1"]
["113391654","CCOC(=O)C1CCC(O)(CN(C)C(C)CC)CC1"]
["162438357","CS(C)(=O)=NC(=O)C1(C#N)CC1"]
["100824937","CC(C)C(N=C(O)Cc1csc(-c2ccccc2)n1)c1nc2ccccc2n1C"]
["99600915","N#CC(/C=C1/C=Cc2ccccc2C1=O)=C(\\N)S"]
["196770996","CC(=O)c1cc(F)ccc1-n1nccc1Cn1cc(C#N)cn1.CC(O)c1cc(F)ccc1-n1nccc1Cn1cc(C#N)cn1"]
["150842912","CC[C@@H](C)[C@@H](CCN(C)C)c1cccc2ccccc12"]
["141199206","COc1ccccc1-c1cccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1"]
["9791414","CN(C)C(C)(C)C[NH2+]S(=O)(=O)c1ccc(F)cc1"]
["141332770","CCC(C#N)N=C(O)CC1CCCC1C"]
["165027394","CCN=C(O)C(CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O"]
["98645892","CCCCCC(O)=NS(=O)(=O)c1ccccc1N=C(O)c1ccc(NCCC(C)C)c(N=C(O)c2cc(C)cc(C(F)(F)F)c2)c1.CCCCCC(O)=NS(=O)(=O)c1ccccc1N=C(O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(N=C(O)c2cc(C)cc(C(F)(F)F)c2)c1"]
["173964649","Cl.NOCCc1nc2ccc(F)cc2[nH]1"]
["MCULE-3442055128","Cc1cccc(-c2cc(C)cc(C(O)=NOC3CCCCO3)c2)c1"]
["54778395","CC(C)(C)c1cc(CC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)no1"]
["50657493","COc1cc(C(C)N=C(O)N2CCN(Cc3cccs3)CC2)ccc1OC(C)C"]
["1060687","CCC(C)C(N=C(O)c1ccccc1N=C(O)c1ccccc1)C(=O)O"]
["170311000","COc1cc(-c2cc(C(C)N)sn2)ccn1.Cl"]
["MCULE-7862459931","O=C(c1ccc(-c2cccc(CN3CCOCC3)c2)c(F)c1)N1CCN(C(=O)c2ccco2)CC1"]
["144945491","COc1cc(C2CC(C(=O)O)CN2)c(O)cc1C"]
["142426164","O=C(CN=C(O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1"]
["155548387","O=C1c2ccc(O)cc2O[C@]2(C(O)=Nc3cc4c(cc32)OCCCO4)[C@@H]1c1ccc(F)cc1"]
["164479916","COC(=O)C[C@]1(C(=O)OC)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CSCN21"]
["165506691","CCc1cnc(CCNc2cc(C(F)(F)F)nc3ncnn23)s1"]
["MCULE-9697814566","Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)C2c2ccc(OC(C)C)cc2)c1"]
["51512895","CC(C)CN(CCN1CCOCC1)CC(=O)O"]
["MCULE-4448702952","COc1cc(NC2=C(c3ccc(N=C(C)O)cc3)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc(OC)c1"]
["117448926","Cc1ccc(NC(=O)C2CCC(=O)N2C)cc1"]
["181364484","NC1(c2nnc(C3CCCC3)s2)C=Cc2ncc(Nc3cncc(N4CCCCC4)c3)cc2N1"]
["158737414","CC(=O)N1CCCN(C(=O)[C@@H](C)c2ncccc2F)CC1"]
["7659461","CN=C(O)[C@H]1Cc2ccccc2CN1Cc1noc(C(C)(C)C)n1"]
["131595048","Cn1ccnc1C(O)C1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1"]
["105783976","C[C@H](CCc1ccco1)N1[C@@H]2CCC[C@H]1CC(=O)C2"]
["153162471","CN(C)CCN1C(=O)[C@@H](CC(O)=Nc2cccc([N+](=O)[O-])c2)S/C1=N\\c1ccccc1"]
["MCULE-7825926186","COCC(=O)N1C(c2ccc(F)c(F)c2)CSc2nnc(Cc3ccccc3F)n21"]
["151591034","CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(O)=N[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1"]
["44615652","O=C(Nc1sc(N/N=C\\c2cccc3ccccc23)nc1-c1ccccc1)c1cccs1"]
["118416373","CCN=C(NCCC(O)c1ccccc1)NCc1cccc(N=C(O)C2CCCC2)c1.I"]
["174579122","N=C(O)c1ccccc1-c1c(-c2ccccc2)[nH]c(-c2nc(=N)[nH]cc2I)c1I"]
["69594642","CCCSCCOC(=O)c1ccc(C(C=C(N)C(F)(F)F)=Nc2ccccc2Cl)cc1"]
["46648075","CCCCCCCCCCCC(O)=NCCCN[O-]"]
["75415788","C=C/C(=C\\NC(=N)NC(C)(C)c1ncccc1Cl)n1cc(C(C)(C)O)cn1"]
["MCULE-7706203612","COCc1ccc(-c2ccc3c(c2)CN(C(=O)c2ccc(F)c(F)c2F)CC3)cc1"]
["151252041","Cc1c(Cl)cccc1N1C[C@H](C(O)=NCc2ccc3c(c2)OCO3)CC1=O"]
["188049467","NC(=O)c1cc(C(S)=Nc2cccc3cc(O)ccc23)co1"]
["195689346","C=C(C)N=c1[nH]ncs1"]
["22186858","CC(C)(C)SCCN=C(O)c1cccc(NS(=O)(=O)c2ccccc2)c1"]
["145206624","c1ccc(-c2nnc(C3=NNC4(CC5CCC4CC5)N3)o2)cc1"]
["137626605","COC(=O)c1ccccc1CCS(=O)(=O)Cc1ccc(F)c(F)c1"]
["CSSS01989310737","Cn1nc(C(F)(F)F)nc1CN=C(O)N1Cc2ccccc2C(C)(C)C1"]
["178030537","CN(C)Cc1ccc(C2=NN=C(O)CO2)cc1C(F)(F)F"]
["85038932","Cn1cc(C=CC(O)=NCC2CCC(C(=O)O)CC2)cn1"]
["12432521","CCn1c(C)cc(C)c(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1=O"]
["186390551","Cc1ccn(C)c(=O)c1N=C(O)N1CCn2c(C3CCCC3)nnc2C1C"]
["45314115","CCC(CC1CC1)N1CCC(O)=NC2(CCCCC2)C1=O"]
["144832580","CN1CCCC(C/C=C\\CCO)C1"]
["152838087","O=C1/C(=C\\c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc(Br)cc1"]
["13976709","O=C(CSCc1csc(N=C(O)c2cccc(Br)c2)n1)Nc1ccc(F)cc1"]
["161536478","CCNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCC(C(C)(C)C)CC2)c1=O"]
["MCULE-9353960620","Cn1ncc2c(Nc3cc(F)ccc3F)[nH]c(=NCc3ccccc3Cl)nc21"]
["99748182","C=CC=Nc1ccc(C2NC(O)=NC(CCc3cccc(OC)c3)=C2C(=O)OCc2ccccc2)cc1N"]
["MCULE-4205554062","COc1cc(NC(=O)c2cccc(OC)c2-c2ccncc2F)ccn1"]
["164127324","Br.c1ccc2c(c1)CC(CCNC1=NCCCN1)C2"]
["111753032","COCC(O)(CCCN)C1CC(C)CC(C)C1"]
["50117239","[2H]C([2H])(C)N(C([2H])([2H])C)C([2H])([2H])C([2H])([2H])N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)C([2H])([2H])n1c(SCc2ccc(F)cc2)nc(=O)c2c1C([2H])([2H])C([2H])(C)C2([2H])[2H]"]
["163850482","c1cnc(-c2ccnc(N3CCCC(c4cc[nH]n4)C3)n2)cn1"]
["83901964","CCC=CC(=O)OCC(O)=Nc1ccc(OC)cc1[N+](=O)[O-]"]
["158086948","CC1(C)CC(N2CC[C@H](N)C2)C1"]
["87746476","CC(N)(Cc1ccccc1)c1cccnc1"]
["85597649","O=C(O)C1(Nc2ccc(Cl)c(Br)c2)CCc2ccccc21"]
["MCULE-9092126572","N#CCCCC(=O)N1CCC(O)CC1"]
["MCULE-8237627172","CON(C)C(=O)c1ccc(-c2cc(C#N)ccc2N=C(O)c2ccc(C(F)(F)F)cc2)cc1"]
["143482168","CC(C)CCN1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1"]
["187725958","Cl.Oc1nc2cccnc2n1C1CCNC1"]
["157538349","Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)[C@H](C)C(=O)O)c12"]
["157012205","C[C@@H]1CC[C@@H](CN=c2[nH]ncs2)O1"]
["135570604","CCCN(CC(=O)N(C)C)C(=O)C1(C)CCN(Cc2ccccc2)CC1"]
["177858377","CC(=O)SCCN=C(O)CCN=C(O)[C@@H]1O[P+](O)(OCOC(=O)c2cc(C)nn2C)OCC1(C)C"]
["93444348","CCC(N)c1nc2c(O)nc(O)nc2[nH]1"]
["54384390","CCn1cc(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1"]
["106886702","CCOc1cc([C@@H]2C[C@@H]2C=O)ccc1O"]
["MCULE-1496285010","CCCCN=C(O)c1cc(-c2cnn(CC)c2)cnc1C"]
["44635371","COc1ccc(OCC(O)=NNC2=CC(C)(C)CC(=O)C2)cc1"]
["136956327","CCn1c(SCc2ccc(C(=O)OC)c(F)c2)nc2ccccc2c1=O"]
["82556542","Cc1n[nH]c(C)c1C(C)C1=C(C(=O)N2CC(O)CO2)C2C(=O)N(C)C(=O)[N+](CC(C)C)=C2S1"]
["169725664","CC(C)C(O)=Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)ccnc5[nH]4)c3c2)c1"]
["75267275","OC(=NOCC1CC1)c1ccc(F)c(F)c1Nc1cncc(F)c1"]
["90763395","C=CC1C(=CBr)C(=O)N(Cc2ccccc2)C1C"]
["162310258","NN/C(C=Nc1ccc(N2CCCNCC2)cc1)=C1\\C=c2cc(F)cnc2=NC1=O"]
["173126120","NO.[H-].[Na+]"]
["161663685","CCC(N)(C(=O)O)C(=O)CC1CCCCC1"]
["34389243","C=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CN"]
["175381618","CC.CNCN(Cc1c(F)cc(F)cc1F)c1ccc(O)cc1C=O"]
["179350885","CC(CC/C(C)=N\\NC(=N)S)=NCC(=N)S"]
["94265660","CNC(C1=CCCO1)c1ccc(Cl)cc1F"]
["27400359","COC[C@@H]1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3nnc(Cc4ccc(F)cc4)s3)cn21"]
["MCULE-1854925043","Cc1cccc(-c2ccccc2N=C(O)C2CC(=O)N(c3ccccc3)C2)c1F"]
["22396496","C[C@H](C(=N)O)N1CCN(c2nc3ccccc3s2)CC1"]
["64089701","CCCCCCOc1ccc(PC(=O)c2ccccc2C)c(Cl)c1"]
["27767996","CC(C)(C)c1ccc(C(=CCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)c(O)n2)cc1"]
["92793372","OC(=Nc1c(F)cc(F)cc1Cl)c1cc(Cl)ncc1Cl"]
["MCULE-6842360418","COc1ncc(-c2cnc(N=C(O)c3ccccc3C(C)=O)nc2)c(OC)n1"]
["147813435","c1ccc2c(c1)nnc1cc3c4c(c12)CCCN4CCC3"]
["129902321","CN(C)C(=O)c1ccc(NC(=O)CN2CCCC3(CC3)C2)cc1"]
["57138044","O=CN(O)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ncc(-c3ccccc3F)cn2)CC1"]
["MCULE-5037301051","O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(NC(O)=NC2CC2)cc1"]
["27822125","O=C(O)[C@@H](N=C(O)c1cc2ccccc2cc1N=C(O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCCC1"]
["137875332","Cc1ccc(C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)s1"]
["134938384","Cc1nc(S(=O)(=O)NCCC(=O)N2CCCCC2c2nccs2)cn1C"]
["47219023","CCC(CC)(C1=C2CCCCC2C=C1)C1=C2CCCCC2C=C1"]
["104694057","O[C@H]1CCC[C@@H](NC2CCCCC2)C1"]
["52667918","COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1Cn1cc([N+](=O)[O-])cn1"]
["7466568","COc1cc(N2C[C@@H](C(O)=NCCCn3ccc4ccccc43)CC2=O)cc(OC)c1OC"]
["106433291","CC[C@H](NC1CC1)[C@@H](O)c1ccc(OC)c(C)c1"]
["116096618","CCN(CC)c1ccc(N=c2cc[nH]c(C(=O)NC(C)c3ccccc3)c2)cc1"]
["17887420","Fc1ccc(C[NH2+]Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1"]
["MCULE-2232494402","N#Cc1ccccc1C(O)=Nc1ccc(-c2ccccn2)c(F)c1"]
["183663461","COc1ccc(CC2COCCN2N=[N+]=[N-])cc1"]
["155981714","C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@]1(C)CC[C@H]2C1(C)C"]
["149215982","COc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)C2c2cccc(F)c2)c(OC)c1"]
["11144219","CCCc1sc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1CC"]
["68833574","C=CCN(CCCC[N+]1(CC=C)CCCC1)c1ccc([N+](=O)[O-])cc1"]
["83608789","COc1ccc(OC)c(N=C(O)CN2C(=O)C(C)(CCc3ccccc3)N=C2O)c1"]
["27008369","CC(=O)Oc1ccccc1C1CCC(C(=O)O)N1C(=O)CCSSCCC(=O)N1C(C(=O)O)CCC1c1ccccc1OC(C)=O"]
["138226078","CCOc1cc(Br)ccc1NC(=O)C(=O)NCCc1ccccc1"]
["101697718","CC(C)COP(C)(=O)c1c(Cl)c(Cl)nc(Cl)c1Cl"]
["104599486","C[C@@H]1CO[C@@H](C)CN1C(=O)/C=C/C(=O)O"]
["MCULE-1872428936","CC(C)(C)OC(=O)N1CSCC1C(O)=Nc1ncc(-c2ccc(F)c(C#N)c2)nn1"]
["138467630","O=[N+]([O-])c1ccc(NCC2(CO)CCOCC2)c(Cl)c1"]
["47226698","CN(CCCN=C(O)C1Cc2ccccc2C(=O)O1)C1CCCCC1"]
["MCULE-1126148679","COc1ccc(C)cc1-n1nc(C(C)C)c(I)c1C(F)F"]
["173690286","Cc1ccc(C2(O)CCN(CCC=C3c4ccccc4COc4ccccc43)CC2)cc1"]
["169669420","CN(C)c1ccc(N(Cc2cccc(F)c2)C(=O)CCl)cc1"]
["171103676","CC.Cc1cc(N2CCOCC2)cc(NC2CCCN(c3cccc(F)c3)C2)n1"]
["10661894","CC(=O)c1ccccc1N=C(O)[C@H](C)N(C)CC(O)=[NH+]c1cccc(C)c1C"]
["148879079","O=c1ccc(-c2ccncc2)nn1CC(O)=Nc1ccccc1-c1cn2c(n1)CCCC2"]
["65966078","O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3)no2)o1"]
["154888697","Cc1cc[n+](CC(=O)c2ccc(Cl)cc2Cl)cc1.Cl"]
["168336149","Cc1cccc(C=Nc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1O"]
["187220553","CCCCc1nc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NN2c2ccc(Cl)cc2)c(Cl)[nH]1"]
["118561945","CC(C)(C)OC(=O)CCCCCCNC(=N)NCCCN1CCOCC1.I"]
["MCULE-1900033039","Cc1cc(-c2ccc(C#N)s2)cnc1NC(=O)c1ccc(C(F)(F)F)cn1"]
["175219193","C=CC/C=C(\\C)c1cc(C(=O)c2cc(C3=CCC(C)C(C(=C)C)=C3)cc(-c3cccc(/C(C=C)=C/C)c3)c2)cc(-c2cccc(C(=C)C=C)c2)c1"]
["178611646","C=C=[C-][O-].CCN(/N=C\\c1cc(C)ccc1C)c1nc2ccccc2s1.[U+2]"]
["88806237","Cc1ccc(F)cc1CNc1c(C)cccc1C"]
["151938146","CC[C@@H](N=C(O)C(C)(C)N1CCOCC1)c1cc(C)ccn1"]
["112050483","CC(NCC(O)C(F)(F)F)c1c(F)cccc1F"]
["111505303","CC1(C(N)c2cccc3ccncc23)CCCCO1"]
["MCULE-1392339908","Cc1ccc(C=CC(O)=NCc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1"]
["32613190","N=C(N)NCCC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H]1CCCN1)C(=O)O"]
["180966579","CCC(I)(I)C1(I)CCC(C)C1(I)I"]
["MCULE-4561814668","Cc1cc(-c2cccc(CN3CCOCC3)c2)cnc1N1CCN(C(=O)CCC(=O)c2ccc(S(C)(=O)=O)cc2)CC1"]
["66744097","Cc1ccc(C(C)Nc2ncc(Br)cc2N)cc1"]
["112618595","CCC(CCCl)N=C(O)c1ccc(Br)c(O)c1"]
["148712870","O=C(OC1CCCC1)N1CC=C(c2c[nH]c3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)CC1"]
["MCULE-1190165287","CCCn1cc(C(O)=NCC(=O)N2CCCC(C(=O)OC)C2)ccc1=O"]
["33109509","N#Cc1c(N)s/c(=N\\c2ccccc2)c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1"]
["105925996","CC[C@H](C)N=C(O)C[C@@H](CC(=O)O)c1ccc(N(C)C)cc1"]
["117837323","CCCCNC(=N)NCc1cccc(CN2CCOC(C)C2)c1"]
["51711266","Cc1ccc(N=C(O)COC(=O)C2(CC(O)=NC(C)(C)C)CCCC2)c(C)c1"]
["6460556","Cc1cc([C@@H]2CCCN2C(O)=[NH+]CC2CCN(Cc3ccccc3)CC2)on1"]
["69948796","c1ccc(CC[C@H]2c3c(-c4ccccc4)nnn3C[C@@H]3CCCN32)cc1"]
["176348356","Cl.NC1=CCC2CCSC2=C1"]
["14964484","C[C@@H](N=C(O)[C@H]1CC=CCC1)c1ccc(N=C(O)c2ccncc2)cc1"]
["25877539","CC1(C)CNc2c(cc(CC(=O)O)cc2S(=O)(=O)O)C1"]
["143969161","CC(C)CN(CCN(C)C)C(=O)c1cc(-c2ccc3c(c2)CCO3)no1"]
["177565983","CCS(=O)(=O)c1cc(Br)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]
["34125946","COc1ccc(C2ON2[C@@H](C(=N)O)c2ccccc2)cc1"]
["16113705","C[C@@H]1CN(c2nc(Cc3ccc(F)cc3)ns2)CCN1C(=O)C(C)(C)C"]
["48010450","COc1ccc(C)cc1CN1CCNc2ccccc21"]
["98437711","O=C(O)CSc1cc(NSc2ccc(Cl)cc2)c2ccccc2c1O"]
["159324054","O[C@@]1(c2cnn[nH]2)CCN(c2ccnc3c(F)cccc23)C1"]
["161863817","[C-]#[N+]c1ccc(C(c2oc(CO)cc(=O)c2O)C(C#N)C(=O)c2c[nH]c3ccccc23)cc1"]
["MCULE-8452336123","Cc1cc(C)c(N=C(O)Cc2ccccc2C)c(-c2ccc(C)o2)c1"]
["157132174","O=S(=O)(CC1CCCC1)N1CC(O)=N[C@@H]2CCCC[C@H]21"]
["146111200","Cl.OC(Cc1ccccc1C(F)(F)F)=NCCC1CCNC1"]
["50143567","CCCCCCC(=O)Oc1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1"]
["76122270","CS(=O)(=O)O.O=C(O)c1ccccc1-c1ccccc1"]
["100984756","Fc1ccc(-c2nocc2[C@]2(C(F)(F)F)OC=NO2)cc1"]
["136932711","CCCCn1cc(C(=O)N2CCSC(C)C2C)c(C)n1"]
["96525921","CC(=O)OCC(COC(C)=O)Oc1ccc([N+](=O)O)c2c1CCN2C(=O)CCCN=[N+]=[N-]"]
["135620592","OC(=NC1(c2ccc3c(c2)OCCO3)CCCC1)C1CCCCO1"]
["66904123","CCOC(=O)CCC(=O)N(C)CC(O)=Nc1c(Cl)cccc1Cl"]
["123329785","CCc1cccc(C)c1N=C(O)C(C)S(=O)c1ccccc1C"]
["197856744","CC1COC(c2cccc(C(F)(F)F)c2)CN1C(=O)Cn1c(O)nc2ccccc2c1=O"]
["111490066","OC(Cc1ccccc1)c1cnn2ccncc12"]
["45627307","COCCCN(C[C@]1(O)CC[C@H]2[C@]34C=C[C@@]5(C=C3C(=O)c3ccccc3)CC(O)CC[C@]5(C)[C@H]4CC[C@@]21C)S(C)(=O)=O"]
["23080752","CC(N=C(O)CSc1nc(C2CC2)nn1-c1ccccc1)c1ccco1"]
["13509479","CCS[C@@H](C(O)=NCC(O)=Nc1ccc(F)c(F)c1F)C(C)C"]
["81210889","CC1N=C(O)N=C(O)C1CCC(O)=NC(c1ccc(Cl)cc1)c1ccsc1"]
["187820804","Cc1nc(-c2n[nH]cc2C2=C\\C=C\\C3=CC(c4cn5c(n4)CC/C=C/CC5)=CCC=C3/C=C\\2)ccc1F"]
["89956831","OC(=NC1CCC1)N1CCc2cc3c(cc2C1)OCO3"]
["161612357","CCCCCCCCC1OC1CCCCCCCC(=O)OCCOC(=O)CCCCCCCC1OC1CC1OC1CCCCC"]
["185559140","CCC(=O)N=c1[nH]c2ccccc2[nH]c1=O"]
["131768974","CCC1CC(C(O)=NC(C)COc2c(C)cccc2C)CCO1"]
["185067985","CC(=O)OC1(C(=O)[O-])C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)CO)O1"]
["179933668","COC(=O)c1ccncc1NCC1CCCC2=C1C(C)CC(N1CCCC1=O)=C2"]
["60317740","c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-n3ccc4ccccc43)c(-c3ccccc3)c2-c2ccccc2)cc1"]
["137257119","NC(=O)c1c(N=C(O)CNC(c2ccccc2)C2CC2)sc2c1CCC2"]
["127879169","CCc1onc(C)c1NC(=O)c1ccc(NC(=O)C2CC2C)cc1"]
["MCULE-6337631566","Cc1cc(F)c(-c2ccc(C(F)(F)F)cc2)cc1NC(=O)CN1CCCC1"]
["75008318","Nc1nc(-c2cc(N(CCF)c3ccc(Cl)cc3)ccc2O)ccc1C(O)=NCCO"]
["133601800","COC(=O)C[C@@H](C)OC(=O)CSc1ccccc1Cl"]
["123760915","O=C(c1ccco1)N1CCC(N=C(O)C=C(c2ccccc2)C(F)(F)F)CC1"]
["130442374","OC(=Nc1cnn(CC(F)(F)F)c1)N(Cc1ccco1)Cc1ccccc1O"]
["197782990","C[C@H]1CN(C2COC2)CCN1c1ccc(N=Nc2ccc(N3CCN(C4COC4)C[C@@H]3C)cn2)nc1"]
["80941600","CC1(C#Cc2cnc3c(c2)C2(COC(=N)N2)c2cc(-c4cnccn4)ccc2O3)COC1"]
["118234443","Cc1ccc(C(C)(O)CNC(O)=NCc2sc(C)nc2C)o1"]
["16061197","CCC[C@H](C)C(O)=NN=C(O)COc1cc(C)ccc1C"]
["MCULE-9060100424","OC(=NCc1cccc(-c2cncc3ccccc23)c1)c1ccccc1F"]
["114497013","O=C(O)c1cn(-c2c(F)cccc2Br)c(=O)nc1O"]
["199773905","c1ccc2cc(-c3ccc4c(n3)oc3ccccc34)ncc2c1"]
["186908304","CC(C)(C#N)C1CNC1.Cl"]
["163221573","CCOC(=O)c1ccc2cc(F)sc2c1N"]
["129780881","Cc1sc(=O)n(CC(O)=NCc2ccc(NC(O)=NC(C)C)cc2)c1C"]
["98386585","Nc1c(Br)cc(C(=O)CCC(=O)N2CCC(n3c(O)nc(-c4ccccc4)c3O)CC2)cc1Br"]
["13032072","OC(Cc1ccc(Cl)cc1)=[NH+]CCN1CCC(O)(c2cccc(F)c2)CC1"]
["162980686","O=c1ccc(Br)cn1Cc1ccsc1Br"]
["81231556","CCOc1ccc(NC(=O)CN=C(O)C=Cc2ccc(Oc3cccnc3)c(F)c2)cc1"]
["31827426","COc1nc2ccccc2nc1N(C)C(=O)N1CCN(c2cc(C)cc(C)c2)CC1"]
["MCULE-1722931719","CCN(CC)CCN1C(=O)c2cccc(OC(=O)CN=C(O)c3ccccc3)c2C1=O"]
["9841878","N#Cc1ccc(OCC(O)=Nc2cccc(Cl)c2Cl)cc1"]
["95027629","COC1(c2nc(NN)c(C)c(-c3ccccc3)n2)CCC1"]
["181715317","CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])cc(C)nc1C"]
["MCULE-6583787202","Cc1ccc(C)c(CC(O)=Nc2cnccc2-c2cccc(F)c2C#N)c1"]
["75083800","NC[C@@H]1CCN(c2ccc3ncc(Br)n3n2)C1"]
["18217595","COc1ccc(CCN2CCC[C@@H](C[NH+](C)Cc3cc(Cl)ccc3O)C2)cc1"]
["123016787","Oc1ccc(C=NCC(O)c2ccc(-c3ccccc3)cc2)c(O)c1O"]
["49799822","FC(F)(F)c1ccc2c(c1)nc(C1CCCO1)n2Cc1ccco1"]
["84549917","CC(Oc1ccccc1F)C(=O)N1CCCC[C@@H]1C(=O)O"]
["MCULE-4395236911","CC(C)Cc1ccc(Cn2ncc(C3CCC3)c2N)cc1"]
["111488785","CNC(c1nn(C)c2ccccc12)c1nccn1C"]
["95440858","CCCn1ncc(OC)c1C(O)C(C)(CC)N1CCCC1"]
["166707910","COC(=O)CCc1cc(C(F)F)ccc1C(F)(F)F"]
["141653991","COCC1CN(C(O)=NCc2cc3cc(Br)ccc3[nH]2)CCO1"]
["59368255","COc1cc(OC)c2cc(C(=O)NN=C(O)c3cc(C)n(-c4ccccc4)c3C)[nH]c2c1OC"]
["167033318","Cc1cc(C(O)=Nc2cccc(-n3ccc(C(=O)O)n3)c2)c(C)s1"]
["MCULE-9392927990","COc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)c4)c(C)nn13)CSC2"]
["MCULE-4041286220","CCN(CC)CCCCN=C(O)C(N=C(O)Cc1ccccc1F)c1ccccc1"]
["MCULE-5789976610","CCCCN(C)C(O)=Nc1ncccc1OC(C)C(=O)Nc1ccc(F)cc1"]
["MCULE-6444468393","Cc1cc(CN)n(Cc2ccc(C)c(C(F)(F)F)c2)n1"]
["MCULE-1425937701","CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2-c2cc(C(=O)N3CCSC3(C)C)cc([N+](=O)[O-])c2)CC1"]
["117070792","Cc1cc(C)n(CC(=O)N2C[C@H]3CC[C@H](Oc4cccnc4)[C@H]3C2)c(=O)n1"]
["195818568","CCSC1=CNCC=C1c1nc2cc(C(F)(F)F)ccc2n1C1CC1"]
["30460714","COC[C@@H](C)NCc1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1"]
["22695798","CC(NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O"]
["91819100","O=C(O)CONC(O)=Nc1c(F)cccc1F"]
["66630229","CC(C)SCc1ccc(CCC(=N)SC(=N)c2ccccc2)cc1"]
["175060220","C=C(C)C1=CN(CCO)c2nc(N3CCCCC3)c(OCc3c(F)cc(C)cc3F)cc2C1=C"]
["MCULE-3209064919","CC1Oc2cc(O)ccc2N(OCCC(=N)O)C1=O"]
["17848788","COc1ncccc1N=C(O)c1cccc(OC(F)F)c1"]
["108950153","CCOC1=NN(c2ccccc2)C(=O)/C1=C\\N[C@H](C)C(=O)O"]
["32261985","C=CCN(C/C=C(\\C)C=C)S(=O)(=O)c1ccc(C)cc1"]
["30928768","CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)CC3CCCCC3)CC2)cc1"]
["45098012","CCCCCCCC(CC(=O)OCC)C(=O)OC"]
["MCULE-7166252567","Cc1nn(C)c(C)c1-c1ccc(NC(=O)c2cnco2)cc1"]
["130526138","COc1cc(C(O)=NNc2ccc(Br)cc2)ccc1[N+](=O)[O-]"]
["128568357","Cc1c(N=C(O)C2CCCCCCC2)c(=O)n(-c2ccccc2)n1C"]
["MCULE-5237956968","CCCOc1cccnc1NC(=O)c1ccc(NC(=O)N(C)C2CCCCC2)cc1"]
["118300606","CC(C)c1ccc(CCCN=C(NCC(=O)N(C)C)NCc2cccs2)cc1"]
["11397916","O=C([C@@H]1CCCN(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)C1)N1CCCC1"]
["MCULE-9540318389","COc1ccc(C2CC2CCN=C(O)OCc2ccccc2)c(O)c1"]
["MCULE-6552158082","CCOc1cccc(-c2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)c(C(C)=O)c2)c1"]
["173087343","Cc1cc(=NC2=CN(Sc3ccc(NC(=O)OC4CCCC4)cc3)Cc3nccn32)[nH][nH]1"]
["59199446","CCN(CCNc1cccc(F)n1)CCN1C(C(=N)O)=CNc2cc(I)ccc21.Cl.Cl"]
["MCULE-1817826424","COc1cc(N=C(O)C2CCN(C(=O)OC(C)(C)C)CC2)cc(-c2cccc(OC)n2)c1"]
["14414377","CCOc1ccc(/N=C2/C[C@@H](c3ccc(Cl)cc3)N(c3ccc(OCC)cc3)C2=O)cc1"]
["34461426","O=C1c2c(CNC3CC3)cccc2-c2nc(O)c3ccccc3c21"]
["46589142","CC(O)=Nc1ccc(NC(=O)CCN=C(O)C2CCN(CC(O)=Nc3cc(C(O)=NCc4ccc(F)cc4)ccc3C)CC2)cc1"]
["150028803","NCCCCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)c(F)c4F)c3s2)nc1"]
["MCULE-9120252503","O=Cc1ccnc2nc(Cl)c(Br)cc12"]
["74638587","O=C(O)c1ccc(N(C(=O)c2ccccc2)C2=CC=C=C[CH]2)cc1"]
["59533181","C=C(C)C1(CC(C)C)CC[N@+](C)([C@H](Cc2ccccc2)C(=N)O)C1=O"]
["186271785","C(#Cc1ccccn1)C1=CC=C[CH]1.[CH]1C=CC=C1.[Fe]"]
["MCULE-1178799141","O=C(CCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1"]
["116749241","CCN=C(NCC(C)N1CCN(C)CC1)NC1CCN(C(=O)CC)C1"]
["141881888","CC(C)N1CCC(N=C(O)CCOc2ccccc2F)CC1"]
["172963960","CC#CC(=O)N1Cc2ccc(-c3c(F)cc(CC(=N)O)c4[nH]c(C)c(C)c34)cc2C1"]
["140152963","CCC(c1ccccc1)c1nnc(SC2CCN(c3cc(C)nn3C)C2=O)o1"]
["178198599","C[C@H]1COCCN1C1C=C(CSc2ccccc2)NC(c2ccc(NC(O)=NCCN(C)C)cc2)N1"]
["98240822","OCC#Cc1cc2cc(C(O)=N[C@@H]3C[C@H]4CC[C@@H]3N4)ncc2o1"]
["197747804","CC1=COP(=O)(F)ON1"]
["10144440","COc1ccccc1OCCCN1C(=O)[C@]2(SC(N=C(C)O)=NN2C(C)=O)c2cc(C)ccc21"]
["MCULE-1083349398","COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c4ccccc34)cc2[N+](=O)[O-])c1"]
["109351957","CC[C@H](C(C)=O)c1nc(-c2ccc(F)cc2Cl)no1"]
["90923728","CCCOc1ncccc1CN=C(O)C1CNC2N=C(O)N=C(O)C2C1"]
["125952367","C#CCCCN=C(O)c1ccnc(OCCOC)c1"]
["MCULE-8638531104","COc1cc(N=C(O)c2cccnc2)ccc1-c1ccc(C(C)=O)cc1"]
["34311103","CCN1c2ncccc2C=C2C(=O)CCCC21"]
["172743262","CN1C(=O)N(N(C(=N)O)c2ccc(Br)cc2)C(=O)C1CCc1cccc(F)c1"]
["61028210","COc1cc(/C=N\\NC(=N)O)c(Br)cc1OCCO"]
["101418266","CCN(Cc1cc(=O)n2nc(SC)sc2n1)Cc1ccc(C)o1"]
["169291435","CCC(C)(C)N=C(S)NNCc1ccccc1Br"]
["54272018","O=C1N=C(O)/C(=C\\c2ccc3c(c2)N(Cc2cc(Cl)nc(Cl)c2)C(=O)CO3)S1"]
["80187252","COc1ccc(C2CC(C(=O)Nc3ccc(S(C)(=O)=O)cc3)NN2)c(OC)c1"]
["MCULE-5495846739","CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1ccc(O)c([N+](=O)[O-])c1"]
["46786796","CCOc1cc(/C=C2/CC/C(=C\\c3ccc(OC(C)C)c(OCC)c3)C2=O)ccc1OC(C)C"]
["22105043","C[C@@H](N=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)C(O)=[NH+]CCN1CCOCC1"]
["176052775","CC1(C)CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3CC4(CNC4)C3)cc21"]
["MCULE-1068089470","COc1ccc(-c2ccc(OC)c(OC)c2)c(N=C(O)c2cnoc2C)c1"]
["21579751","CCOc1ccccc1N1C[C@@H](C(O)=Nc2ncccc2[O-])CC1=O"]
["53071039","Cc1cc2ncnc(N3CC(O)C(O)C3)c2cc1C"]
["150626061","C[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc43)cc21"]
["133700646","COc1ccc(CCC(=O)N(C)c2ccc(OC)c(F)c2)cc1F"]
["171698634","COc1c(C(O)=NC2CCN(C3CCN(C(=O)c4cccc(Cc5cccc(F)c5)c4)CC3)CC2)ccc(F)c1F.O=CO"]
["19827051","C=CCN(CCc1ccccc1)C(O)=NCc1cc[nH+]c(N(C)C)c1"]
["MCULE-7597761001","CN(C)Cc1ccc(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1"]
["79610110","BrCCCCCCC(Br)C(Br)C(Br)C(Br)Br"]
["MCULE-3457934244","OC(CCc1ccccc1-c1ccc(C(F)(F)F)cc1)=NCCCN1CCCC1"]
["49391465","Cc1sc(N=C(O)c2ccccc2)c(C(c2cccc(F)c2)N2CCC(C)CC2)c1C"]
["179687466","CCOc1c([C@H](C)C2CC2)cccc1[C@H](C)C1C[C@H]1C1CC1[C@@H](C)c1cccc([C@H](C)C2CC2)c1O"]
["MCULE-3394961907","CC(C)Oc1cccc(-c2ccc(F)cc2C(=O)N(C)CCC#N)c1"]
["114920908","Fc1ccc(-c2n[nH]c(C3CCCC3)n2)c(I)c1"]
["81107486","CC1(C)CCN(C2CC(=C(N)N=O)CCN2)CC1"]
["179331529","C[C@@H](C=O)N=C(O)C1(NC(=O)c2ccc(CN3CCOCC3)cc2)CCCCC1"]
["49937170","C[C@@H]1CCCC[C@H]1N=C(O)N=C(O)CN1C(=O)C2(CCCCC2)N=C1O"]
["MCULE-5244485370","COc1ccc(N=C(O)CCc2ccc(F)c(-c3cncc4ccccc34)c2)nc1"]
["165777000","CN(C(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(C(N)=O)cc1"]
["44018123","CCN(Cc1ccc2ccccc2c1)NCc1ccc2ccccc2c1"]
["129321954","CC(=O)N1CCc2cc(NC(O)=NC(C)Cc3ccccc3C)ccc21"]
["193035827","O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@@H]2N1CCCC[C@@H]1c1ccc(F)cc1.O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@@H]2N1CCCC[C@H]1c1ccc(F)cc1"]
["144512065","COc1ccc(-c2csc3nc(-c4cc(C)ccn4)nc(O)c23)cc1"]
["86789109","Cc1cc(OCc2cccc(Cl)c2)ccc1C(N)=NO"]
["68909110","Nc1ccccc1N=c1nc2ccc(-c3cccc(O)c3)cn2[nH]1"]
["46466548","COCc1ccc(CN=C(O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1"]
["MCULE-7213735176","COc1cncc(-c2cc(N=C(O)c3cn(C)c4ccccc34)cc(OC)c2)c1"]
["114053770","CC1OC(C)C(C(=O)N2CCC(C)(C#N)CC2)C1C"]
["170986158","NC1CCN(c2cnc3[nH]ccc3n2)C1"]
["185724008","CC(=O)N(O)C(=N)c1ccc(Oc2cc(Oc3ccc(C(=N)N(O)C(C)=O)cc3)cc(-c3ccc(F)cc3S(N)(=O)=O)c2)cc1"]
["100183948","CC(N=c1[nH][nH]c2c(C(=O)NCC34CCC(C(=O)O)(CC3)CC4)ncnc12)c1ccc2c(c1)N=C(O)CO2"]
["187577177","Brc1cc(C2=NC=CCC2)nc(-c2ccccn2)c1"]
["176505705","CC.CCCCC(CCCC)CC(O)=NN"]
["65055182","CC1CCCN(C(=O)c2nccc3ccccc23)C1CN"]
["131970799","OC(CCc1nc(-c2nc[nH]n2)no1)=NCC(O)c1c(Cl)cccc1Cl"]
["MCULE-8312179678","COc1c(F)cccc1-c1cc(C)cnc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1"]
["174248939","CCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1.[H-].[K+]"]
["83142606","C=CCOC(=O)C(Cc1ccc(OC)c(OC)c1)OC(=O)C=CCc1ccc(C(F)(F)F)cc1"]
["109863939","CCN=C(O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)C1"]
["123709409","Cc1ccc2[nH]c(C(=O)NCC(C(C)C)N3CCN(C)CC3)c(C)c2c1"]
["198037721","CC(C)(C)c1nc(C(=O)NC2(C(O)=NCc3cccs3)CCCCC2)n[nH]1"]
["24935126","COc1ccc(C2(C)CN=C(O)CO2)cc1OC1CCCC1"]
["MCULE-5841576174","CC(=O)c1ccc(-c2cc(F)c(C(O)=NCCS(C)(=O)=O)cc2C)cc1"]
["17681861","CC(C)(C)c1cn2nc(N3CCO[C@H](c4cccc(F)c4)C3)sc2n1"]
["MCULE-1802344210","Cc1cc(C)cc(-c2cccnc2N=C(O)c2ccc3c(c2)OCO3)c1"]
["79578358","CCCCC(CC)COCC(O)COc1ccc(-c2nc(-c3ccc(CC)cc3CC)nc(-c3ccc(CC)cc3CC)n2)c(O)c1"]
["4184202","CCOc1ccccc1N=C(O)[C@H](C)S(=O)(=O)c1ncccc1Cl"]
["150451999","O=C(Cc1cccc(F)c1)N1CCC2(CC1)CC(Cc1nc(-c3cnccn3)no1)CCO2"]
["81859917","NC1=C(N)C([C@H]2C=CC=C(Cl)C2)N=C(CC(=O)O)N1"]
["MCULE-8544682061","N#CCc1cccc(-c2cc(C(=O)N3CCCC(=O)c4ccccc43)ccc2N2CCOCC2)c1"]
["97330421","CC(=O)CC(=O)CB(F)F"]
["113292212","Cc1cc(NCCc2ncon2)ccc1C#N"]
["190490103","CCN1C(=O)C(O)(c2ccccc2)c2cccc(Cl)c21"]
["182411889","COC(=O)CCc1cc2cc(O)oc2cn1"]
["MCULE-5757393187","CC(C)(C)OC(O)=NCc1cc(-c2ccccc2CCCO)ccc1F"]
["172773089","O=C1OCCN(c2ccc(-c3ncc(CN=C(O)NCc4cnc(-c5ccc(N6CCOC(=O)[C@@H]6O)cc5)o4)o3)cc2)[C@H]1O"]
["95079965","CC#CCNc1c([N+](=O)[O-])c(C)nn1C"]
["177893284","Cn1cc(-c2nc(C(O)=NCc3c(F)cccc3P(C)(C)=O)c(N)nc2-c2ncco2)ccc1=O"]
["112155251","CCc1ccccc1NC1CCN(c2ccccc2)CC1"]
["MCULE-7023288412","CCc1nn(Cc2ccccc2)c2c1C(c1ccc[nH]1)C(C(O)=NC1CCCC1)=C(N)O2"]
["107211139","Cc1cc2c(cc1C)N([C@@H](C)C(=O)OC(C)C)CCN2"]
["131318539","CCON=C(O)COc1cc(C)c(Cl)c(C)c1"]
["9878305","CCCN(C)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccs2)cc1"]
["13817087","CCCOc1ncccc1Br"]
["103270771","Cc1cc(Cl)ccc1N1C[C@@H](CN)OC1=O"]
["81971057","O=C([C@@H]1CCCN1Cc1cccc2ncccc12)N1CCOCC1"]
["86927625","CCC1C(O)CC1c1ccc(C)cc1C"]
["285667","COc1cc2nccc(Oc3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2cc1OC"]
["MCULE-8136257130","CC(C)(C)c1nn(-c2ccc(O)cc2)c(I)c1C(F)F"]
["111985796","CCCC(C)(O)CN=C(O)COc1ccc(Br)cc1Br"]
["MCULE-5226700300","CC(C)(C)OC(=O)N(Cc1ccccc1)C1CCN(C(=O)Cc2ccc(-c3cccc(CC#N)c3)cn2)CC1"]
["107939571","COCCOc1ccccc1CN=C(O)[C@@H]1CN=C(O)N1"]
["138956157","CCCc1noc(CN2CCCC(Cn3ccnn3)C2)n1"]
["130170393","Cc1nccn1CC1CCCN1Cc1nc(-c2ccc(C(C)C)cc2)no1"]
["MCULE-4361529032","O=C(C=CCN1CCOCC1)N1CC2CC(C1)CN(C(=O)CCc1ccc(F)cc1)C2"]
["MCULE-6478970975","CCOC(=O)CN(C)C(=O)C(CSCc1ccccc1)NC(=O)c1cccn(Cc2ccccc2)c1=O"]
["88583295","Fc1cc(Cl)c(NC2CCCC(C(F)(F)F)C2)c(Cl)c1"]
["51966705","CCCCCCCCCCCCCCCCOc1ccc(CC([O-])=NC(CC)[n+]2ccccc2)cc1C(C)(C)C.I"]
["20013730","COc1ccc(CN=C(O)CN=C(O)Cc2c(C)nc3ccccc3c2C)cc1"]
["49273045","COC(=O)Cc1ccn(C)c1"]
["171591865","c1ccc(-c2ccc3c4ccccc4n(-c4ccc5oc6c(ccc7c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8n(-c8ccccc8)c76)c5c4)c3c2)cc1"]
["182025160","CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)N1C=NCC1"]
["MCULE-2789026727","Cc1cc(I)ccc1NC(=O)COc1cn(CCO)c(CSCCO)cc1=O"]
["122399869","OC(=NC1CCOC1c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1"]
["4318037","COc1ccc(CNc2ccc(C(=O)[O-])c(Cl)c2)cc1"]
["78330838","C[Si](C)(CC(=O)CCCCCO)O[Si](C)(C)CC(=O)CCCCCO"]
["173821536","CCOC(=O)c1c(C)n(CC2CCC(O)CC2)c2ncc(F)cc12"]
["176884758","Cc1cccc(CCN2CCC(CN=CO)(c3ccccc3)CC2)c1Cl"]
["381926","O=[N+]([O-])c1ccc(C(c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2ccnc2)cc1"]
["1009890","CC(=O)O.CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1"]
["108448655","COc1cc(CN=C(O)CC[C@@H]2CCCO2)c2ccccc2n1"]
["19912282","CCCCN[C@H](CC(=O)O)C(=O)c1ccc(Br)cc1"]
["MCULE-4852571885","CCN(CCOC)C(=O)c1ccc(-c2ccc(CN(C)C)cc2)cc1F"]
["163067613","N#CC(N)c1cc2n(n1)CCCCC2"]
["25226743","O=c1cc(-c2ccco2)[nH]n1C1CCCCC1"]
["176094224","CC1CC(c2cccc(NC(=O)c3cc(CN[C@@H](C)C4CCC4)c4c(n3)C(C)(C)CN4)c2)(c2nncn2C)C1"]
["1439188","C[C@H](Nc1ccc(Cl)c(C(=N)O)c1)C(O)=N[C@@H](C)c1ccccc1"]
["115570178","CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(C)cc3)C2c2ccc(Cl)c(Cl)c2)cc1C"]
["MCULE-9342044306","C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1cc(Cl)ccc1C"]
["95128591","CCCc1nc(Cc2ccccc2C)sc1CN"]
["MCULE-3138600233","CC(C)CC(N=C(O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1)C(O)=NCc1ccccc1"]
["77193237","O=c1ccccn1CC(O)=NCCn1nc(-c2ccccc2)ccc1=O"]
["MCULE-3351579722","OC(=Nc1nc(N2CCN(c3ccccc3Cl)CC2)nn1-c1ccc(Cl)c(Cl)c1)C1CCC1"]
["60243692","CCCC(O)=NC1CCCN(C(=O)/C=C/c2cc(OC)ccc2OC)C1"]
["152534182","CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccc(Cl)cc5)o4)c(=O)n32)cc1"]
["31578394","CCCOC(=O)N1CCN(C(=O)CN=C(O)c2cc(OCC(=O)N3CCCC3C(O)=NC3CCC3)n(-c3ccccc3)n2)CC1"]
["181728590","[N-]=[N+]=NOCc1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1"]
["MCULE-9885445673","Cc1ccc(CCNC(=O)c2cc3c(N4CCCCC4)ncnc3n2Cc2ccco2)cc1"]
["118837441","CCN=C(NCc1ncc(CC)s1)N1CCC(c2nc[nH]n2)CC1"]
["42990772","CCCCN1C(O)=NC(c2cccc(N=C(O)c3ccccc3Br)c2)C(C(=O)OC(C)C)=C1C"]
["62592921","COCCCS(=O)(=O)c1nc2ccc(N)cc2s1"]
["176095167","CC(C)CO[C@@H]1CCC2C(C)C(=O)CC[C@]21C"]
["159266471","FC(F)c1c(Cl)ccc(I)c1Br"]
["127055494","CCC(OC(=O)c1ccc(OC)nn1)c1cc(C)ccc1OC"]
["173685946","O=C1C(=C([O-])C(F)(F)F)[N+](Cc2c[nH+]c(Cl)s2)=C2C(c3ccccc3)=CC=CN12"]
["196383159","CC(C)(C)OC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(OCCOCCOCCOCCOCCOc4cc(C(C)(C)C)c(N=C(O)c5c[nH]c6ccccc6c5=O)cc4O)cc3)CC2)cc1"]
["79222410","C[N+](C)(C)C[C@@H](CC(=O)[O-])ONP(=O)=O"]
["141366974","CC(C)c1nn(C)c2sc(C(=O)O[C@H]3CCN(CC(F)(F)F)C3)cc12"]
["173852050","CCn1nccc1C(=O)N[C@H](c1nc2ccc(C3CNCC3C(=O)N3CC(F)(F)C3)c(F)c2[nH]1)C1CCC(C)CC1"]
["103399871","CC[C@@H](C)N=C(O)[C@@H](C)Nc1ccc(C)cc1C"]
["78296665","C=C(CC(=O)O)C(=O)O.[Pb]"]
["104903016","COC(=O)[C@H](Nc1cccc(OC)c1)C(C)C"]
["167534304","CCCOc1cc(S(=O)(=O)O)ccc1N"]
["96305825","N=C(N)c1ccc(OCc2ccc(Cl)cc2F)c(Cl)c1"]
["173152607","CC(=O)OC1CC(OC(C)=O)C(OC2C(C[O-])OC(SCC3CCCCC3)C(OC(C)=O)C2C)OC1C[O-].[Ac].[Ac]"]
["196947869","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCCC"]
["122814703","CC(N=C(O)CCCN1CCN(c2ccccc2)CC1)C(C)(C)CN(C)C"]
["137980444","Cc1csc(C(C)CN=C(O)Nc2ncc(C)s2)n1"]
["7668218","C[C@H](N=C(O)c1ccoc1)C(=O)Nc1ccc2c(c1)CCO2"]
["200547278","N=C(O)C#Cc1cc(F)cc(CO)c1"]
["99425973","CCCCCOCC(O)(C=C(C)C(=O)O)C=C(C)C(=O)O"]
["123072593","O=C(OCc1ccc(Cl)cc1)c1csc(-c2cnccn2)n1"]
["166454058","Cc1nc(C2CCCCN2C(=O)c2cnc3ccc(F)cc3c2)no1"]
["62931599","CCc1sc(C(=O)N=c2sccn2C)cc1C"]
["34118419","FC(F)(F)c1ccccc1C=[N+]1CCCC1.O=S(=O)([O-])C(F)(F)F"]
["MCULE-6042581686","COc1cc(Br)cc(C)c1N=C(O)CC1CCN(C(=O)OCc2ccccc2)CC1"]
["157780595","C[C@H]1CN(C2CC2)C[C@H]1C(=O)O"]
["53633400","C[N+]1(CCN=C(O)COC2(CCc3ccc([C@@H]4[C@@H](CC[C@H](O)c5ccc(F)cc5)C(=O)N4c4ccc(F)cc4)cc3)COC2)CCOCC1"]
["151015787","Cc1ccccc1CN(C(=O)[C@@H](C)N)C1CC1"]
["132160957","CCCC(CCC)C(O)=NCc1ccc(OC)c(F)c1"]
["MCULE-7408350166","CCC(C)(N=C(O)C(C)Cc1ccc(F)cc1)C(O)=Nc1cccc(C(C)(C)C)c1"]
["198933080","COc1ncc(Br)c(C)c1NC(O)=NCCc1c(C)[nH]c2ccc(C)cc12"]
["127335226","CC(NC(C)C1CCCCC1)c1nnnn1-c1ccccc1"]
["MCULE-3417457484","Cc1c(C(=O)N2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cc(-c2ccc(C(C)C)cc2)cc1[N+](=O)[O-]"]
["MCULE-8560666938","CCc1ccc(N(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C2CCN(C)CC2)cc1"]
["MCULE-8942984037","CCOP(=O)(OCC)c1c(C2CCCC2)nn(-c2cccc(OC)c2OC)c1Cl"]
["156132353","COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O"]
["186770056","BrC[C@@H]1COc2ccccc2O1.BrC[C@H]1COc2ccccc2O1"]
["48224760","CC(O)=Nc1ccc(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1"]
["103229722","COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br"]
["177471472","CCn1c(=O)c2c(nc(/C=C/c3ccc(Oc4ccc(N5CCNCC5)cc4)cc3)n2C)n(CC)c1=O"]
["185333750","O=C(Nc1ccc(S(=O)(=O)C2(F)C=C(F)C=CC2)cc1)Oc1ccccc1"]
["104822186","Cn1cnnc1CN[C@H]1CCOc2ccccc21"]
["85082009","CCCNC1(CO)CCCC1CCN(C)C1CCCCC1"]
["197286771","Cc1nn(C)c(C)c1C(N)C1(O)CNC1"]
["160405721","OC(=NCCN1CC=CCC1)c1cc(Br)c2c(c1)OCO2"]
["100384666","CN(CC1CCCC(COCC(=O)O)C1)C(=O)N(C)C(c1ccccc1)c1ccccc1"]
["7330609","OC(Cn1ncc2c1-c1ccccc1OC2)=Nc1ccc(F)cc1F"]
["54596072","CN(C(=O)CN1CC(O)C1)C1CC1"]
["113044731","Cc1ccc(C(N)C(=O)N(C)CC2CCCOC2)cc1"]
["191655267","COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C(C)(C)COC(=O)C=CCCN(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccc(CC(=O)CCc4ccccc4)cc3)N=C(O)[C@H](c3ccccc3)N=C(O)CCC(O)=Nc3cccc2c3)cc1OC"]
["MCULE-2524322352","CSCCC(N=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(O)=NCCC(O)c1ccc(F)cc1"]
["43085914","C[C@@H]1C[C@H](C)CN(CC(=O)N2CCC[C@H](c3[nH+]c4ccccc4s3)C2)C1"]
["144042625","CC(Cc1cccc(C(F)(F)F)c1)C(O)=NNC(S)=Nc1ccccc1"]
["112171763","Cc1ccc(C(NC2CCOC(C)C2)C2CC2)cc1"]
["52053712","CCN=C(O)C1CNCCN1C(CC)c1cccs1"]
["154065782","C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@@H](O)[C@H]1O"]
["MCULE-2181388259","CCOc1ccc(F)c(-c2c(F)cc(N=C(O)C3CCCN3C(C)=O)cc2F)c1"]
["18862690","CN=C(O)N=C(O)CCCN(CCOC)CCOC"]
["49654433","Cc1ccc(C2(C)N=C(O)N(CC(=O)Nc3ccc(Br)c(C)c3)C2=O)cc1"]
["81575646","CC=C(C)C1C(C)CC2C(C)CCC(C)C2C1CO"]
["117893891","CCCCC(CC)CNC(=NCC)NC1CCS(=O)(=O)C1"]
["169192723","N#CC(C#N)=Cc1ccc(F)c(F)c1O"]
["186982024","N#Cc1ccc(CC(N=c2[nH]c(=NCc3nc4ccc(Cl)cc4[nH]3)[nH]c(=Nc3cccc(CN4CCNCC4)c3)[nH]2)C(=O)O)cc1"]
["MCULE-4387920354","COc1cc(-c2ccc3c(c2)CC(N=C(O)c2ccc(=O)n(C)c2)C3)ccn1"]
["87788993","CCOc1ccc(N=C=O)cc1C"]
["128423085","CCn1c(=O)c(=O)[nH]c2cc(C(O)=NC3CCCC(N(C)C)C3)ccc21"]
["26575400","[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(C)=O)cc2)cc1"]
["184487026","Cc1cn(-c2ccc(NC(O)NCc3ccc(Cl)cc3Cl)cc2F)cn1"]
["26524929","C=C1C=C(Br)[C](Br)C=C1Br"]
["MCULE-5507759787","CCCC(=O)N1C(c2cccc3ccccc23)CSc2nnc(COc3ccc(C)cc3C)n21"]
["94368648","COc1ccc(Nc2ccc(C#N)c(F)c2)cc1F"]
["172666001","CN1CCN(c2ccc3c(n2)C=NC3)CC1"]
["168261718","O=[N+]([O-])c1ccc(O)c(/C=N/NC(S)=[NH+]c2ccccc2)c1"]
["140042383","CC1(C)CC(N=C(O)C2CCN(C(=O)c3cccs3)CC2)c2ccccc21"]
["185708873","CCCCCC1COC(C2CCC(C(=O)OC3C=CC=CC3(F)C(C)CCC)CC2)OC1"]
["128092141","CC(C)CN1CCN(C(=O)C(O)=Nc2cc(F)c(F)cc2Cl)CC1"]
["45158982","Cc1[nH]c(=N)sc1C(O)=Nc1cc(F)cc(F)c1"]
["173705768","Cc1ccc(S)cc1.Cc1ccccc1Cc1ccc(C=[NH2+])cc1"]
["171719524","[C-]#[N+]c1ccc(N2CC3(CCN(c4ccc5c(c4)CN(CC4CCN(c6ccc7c(c6)C(=O)N(C6CCC(O)=NC6=O)C7=O)CC4)C5)CC3)C[C@@H]2C)cc1Cl"]
["133572197","C=C(C)CC(C)C(O)=NC(COC)c1ccco1"]
["MCULE-1559966071","Cc1nc(Nc2cccc(N(C)C)c2)cc(N2CCC(N3CCCCCC3)CC2)n1"]
["128565400","CCCCN(C)c1ccc(N=C(O)C(=O)NCC2CCCCN2CC)cc1"]
["161278351","C/C(=N\\c1ccccc1C(C)C)C1=CCC=C(/C(C)=N/c2ccccc2C(C)C)S1"]
["15599691","COc1ccc(Cc2nnc(S[C@@H](C)C(=O)c3cc(C)c(C)cc3C)o2)cc1"]
["87018554","O=[N+]([O-])c1cccc(N=C(O)c2cccc(F)c2Br)c1"]
["195391239","N=C(O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OCCC(=O)CNCCO"]
["47928347","CS(=O)(=O)N1CC(C(=N)O)CC2(CC2O)C1"]
["115547324","COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(Cc2cc(C)ccc2C)C1c1ccco1"]
["90732144","COC(=CC(C)c1ccccc1)n1nnc2ccccc21"]
["47888858","CCn1ccc2ccc(N=C(O)c3ccccc3C)cc21"]
["56172222","NS(=O)(=O)c1c(Cl)c(F)cc(C(=O)OC2CCCC2)c1Cl"]
["182024199","Nc1ccnn1N1C=CC=CC1"]
["19260460","CCn1cc(NS(=O)(=O)c2ccc(C)cc2C)cn1"]
["82769463","COc1ccc2ccc(S(=O)(=O)N(C)C3(Cc4cccc5[nH]c(=N)ccc45)CCN=C3O)cc2c1"]
["170167942","CCCC(=O)N(CC=C(C)C)c1ccc(S(N)(=O)=O)cc1"]
["MCULE-7933259625","CC(C)c1ccc(C(=O)N2CCCCN2c2ccccc2)cc1"]
["55545982","COc1ccc(OCCC(=O)C2CC2)cc1"]
["164473585","Oc1ccc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3ccccc23)cc1"]
["128047946","CCN(CC)CC(=O)N1CCN(C(=O)CN2CCCC2=O)CC1"]
["169041566","N#CC1=COC(N)=C(C#N)C1c1cccc(Cl)c1I"]
["81930239","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO.CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12"]
["MCULE-5682767410","COc1cc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)c(-c2cccc(C(=O)N(C)OC)c2)cc1OC"]
["46606356","CC[S@@](=O)c1ccccc1C(=O)O[C@H](C)C(O)=Nc1cc(C)ccc1OC"]
["68899680","C=CCOC(=O)O[C@@H]1C(N=C(O)OCC2c3ccccc3-c3ccccc32)[C@@H](O[Si](C)(C)C(C)(C)C)OC(COCc2ccccc2)[C@H]1OP1(=O)OCc2ccccc2CO1"]
["MCULE-3750297620","CNC(=O)c1cc(C2CC2)nn1Cc1cccc(C)c1Cl"]
["53727830","N=C(S)c1cccc(OCC(O)=NCc2ccccc2)c1"]
["122098085","N#CC1(CS(=O)(=O)Oc2cccc(-n3ccnc3)c2)CC1"]
["160302825","CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(O)=NC1CCC2(CC1)CC2"]
["22136138","C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3[O-])C(=O)N2Cc2cccnc2)cc1OC"]
["17284991","COC(=O)c1ccc(OCC(O)=Nc2ccc(C#N)c(Cl)c2)cc1"]
["173331087","C=CC(C)CCCC=CCC(C)CC"]
["198044848","CC(C)c1cncc(C(O)=Nc2cccc(-c3cc[nH]n3)c2)c1"]
["176351243","O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Sc1c(F)cccc1F)c1ccccc1S"]
["169962308","COCCc1cc(Br)cc(Br)c1OC(C)C(=O)O"]
["81078777","CCCCCOc1ccc(C(O)=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1"]
["16936103","Cc1ccc(F)cc1N=C(O)[C@H](N=C(O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)C(C)C"]
["MCULE-4750215472","Cc1nnc(N=C(O)COc2cccnc2N=C(O)N2CCN(c3ccc(F)cc3)CC2)s1"]
["156542268","Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCC[C@H]3C(C)(C)O)C2)c1"]
["MCULE-1708209054","Cc1nn(C)c(C)c1-c1c(F)cccc1C(O)=Nc1ncccn1"]
["24440507","Cc1cc(C)n2nc(C)c(C(O)=NC(C(=N)O)c3ccccc3)c2n1"]
["106888079","CCC1=NNC(=C2C=C(S(=O)(=O)Nc3ccc(F)cc3F)C=N2)O1"]
["65848202","N#Cc1ccc(OCCCN2CCS(=O)(=O)CC2)cc1"]
["87039252","OCCC#Cc1ccc(F)cc1OCc1cccnc1"]
["74827699","CN(C)CC[C@H](CSc1ccccc1)Nc1ncc(S(=O)(=O)N=C(O)c2csc(N3CCc4cccc(C(O)=Nc5nc6cccnc6s5)c4C3)n2)cc1[N+](=O)[O-]"]
["129220764","CC1CC(c2cccnc2)N(C(=O)c2ccc(-c3ccco3)nc2O)C1"]
["55495230","O=C(COC(=O)Cn1ccccc1=O)Nc1ccc(I)cc1"]
["116010044","CC1CCCN(C(=O)c2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn2)C1"]
["168381396","Oc1ccc(C2=NNC3=NCCCN32)cc1"]
["177491248","COC1=C2CCCN=C2NC(CCCCC(F)C2CCN(C(C(=O)OC(C)(C)C)c3cc(F)cnc3C3CCCCO3)C2)=C1"]
["MCULE-9832896145","CCC(=CC(O)=NC(CSCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1"]
["122008419","COCCN1CCN(C(O)=NC(C)C(C)c2ccccc2C(F)(F)F)CC1"]
["MCULE-3120398907","CCCCOc1cn(CCCCN2CCCC2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O"]
["106341235","Cc1cc(O)c([C@H](C)N)c(C)c1Cl"]
["9164877","C[C@@H](C[NH+]=C(O)Cn1ccc(O)nc1=O)CN1CCCCC1"]
["170602887","CC.CC.CC(CO)C(C)(C)F"]
["196967856","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CCCCCCCCCCC"]
["154671696","N=c1nc(O)c2ncn([C@@H]3O[C@@H]4C(O)[C@]4(F)[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)[C@H](F)[C@@H]3O)c2[nH]1"]
["129559263","CCN(Cc1ccccc1Cl)C(O)=Nc1cnn(CC(O)=NC)c1"]
["64642546","C=C(C)CO[C@@H](C1C[C@@H](C)[C@H]2C(O1)[C@H](O)[C@@]1(C)C3CC[C@H]4C(C)(C)C(O[C@H]5CN(C6COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O"]
["190065680","C[C@H]1C[C@H](n2cnc3cc(Br)ccc3c2=O)CCN1C(=O)OC(C)(C)C"]
["102360309","Cc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](Cc2ccccc2)C(O)=NC(C)(C)C)c1"]
["25293727","CCCCC(C)(C)[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCCOC(O)=Nc1ccccc1"]
["107783194","CC[C@H]1CN(c2cnns2)[C@H](C)CN1"]
["92259475","Cc1cc(C#N)ccc1CNC(C)CC(=N)O"]
["172651567","CCCCCC/C=C\\CCCCCCCC([O-])=N[C@@H](CC(C)C)C(=O)O.[Na+]"]
["MCULE-6790668343","CN=C(O)c1cc(-c2cccs2)n(C)n1"]
["46219696","COc1cc(C)c(C)c(Cc2ccccc2)c1[P+](Cl)(c1ccccc1)c1ccccc1"]
["143062673","COCc1ccc(CNC2CCc3c(F)ccc(Br)c32)cc1"]
["131951891","O=C(c1cccn1C1CCCC1)N1CCCC1C(O)=NCc1ccco1"]
["161058618","CC(c1ccccc1N)(c1ccccc1N)C(C1CCC(N)CC1)C1CCC(N)CC1"]
["190693960","Cc1cnc(CN=C(O)Nc2cc3c(c(-c4cc5ccccc5s4)c2)CN=C3)cn1"]
["22443952","CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1"]
["162736724","C=CC[C@@H]1OC(=O)C[C@@H]1C=O"]
["135139903","CCOc1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)c(C)c1"]
["148008154","COc1cccc(C(CN=C(O)[C@@H]2CCCNC2)N(C)C)c1.Cl.Cl"]
["27462183","CC(C)N1CCN(c2cc(-c3ccc(F)cc3F)c3c(c2)N(c2c(Cl)cccc2Cl)C(O)=NC3)CC1"]
["157763439","O[C@]12CCCC[C@@H]1CN(c1ccc3nncn3n1)CC2"]
["115366433","CCC1(C(O)=Nc2cccc(Cl)c2C)COC1"]
["137239889","CC1=NN(c2ccc(C(=O)NCc3cccnc3N(C)C)cc2)CC1"]
["125628779","CCCN=C(O)c1cccc(NC(=O)C(=O)NCCc2cc3ccccc3o2)c1"]
["MCULE-8185622109","COc1cccc(CC(O)=Nc2c(F)cc(-c3cccc(N4CCOCC4)c3)cc2F)c1"]
["MCULE-7449257343","COc1ccccc1N=C(O)NS(=O)(=O)c1ccc(CN=C(O)c2ccc3c(c2)OCO3)cc1"]
["188278010","NC1CC1(F)c1cccc([N+](=O)[O-])c1"]
["144012582","CCN(C)C(=O)CCN1CC(c2ccccc2)OCC1(C)C"]
["187985878","N#Cc1c(C#N)c(C#N)c(-c2ccc3c(c2)-c2cccc4c(N(c5ccccc5)c5ccccc5)ccc-3c24)c(C#N)c1C#N"]
["131060302","OC(=Nc1nc(C2CC2)cs1)NNc1ccccc1Br"]
["93618157","CCc1cccc(C(=O)C(CC)OC)c1"]
["MCULE-5049249467","C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)C1c1ccc(C(=O)O)cc1"]
["170338477","C[C@H](Cn1ccnc1)Oc1cccc2cc(-c3nc4cc5c(nc4n3C)CCN(C[C@H](N)CF)C5=O)n(CC3CC3)c12"]
["53754083","COc1ccc(-c2cccnc2)c2c1C(=O)N(CCc1cn3ccccc3n1)C2"]
["52366125","COCCC(N)C(O)=NC(C)C(=O)N(C)C"]
["92976163","CC(C)CNCc1csc(C2CC2)n1"]
["MCULE-1165321267","Cc1nn2c(Cl)cc(-c3ccccn3)nc2c1Cl"]
["MCULE-1289523477","COC(=O)c1ccccc1N=C(O)C(C#N)=CN1CCN(c2cccc(Cl)c2)CC1"]
["164701987","CCOCCCNCc1ccc(Cl)cc1.O=C(O)C(=O)O"]
["137186050","CC(N=C(O)NN=C(O)OC(C)(C)C)c1nc(-c2ccccc2)cs1"]
["130906823","CC(C)c1nnc(CN=C(O)COc2ccc(F)cc2Cl)n1C"]
["57100837","O=C1CCCN1c1ccc(Cl)c(N=C(O)CN2C(=O)COc3cc(Br)ccc32)c1"]
["145061775","CC1(C)Oc2cc(Br)c(C3CCCNC3)cc2O1"]
["MCULE-1139387614","O=C(CCCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1"]
["MCULE-7110291181","Cn1nc(C(F)(F)F)cc1-c1ccccc1N=C(O)C1CCN(C(=O)c2ccccc2)CC1"]
["110237658","Cc1ccc(C(O)=NCCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(O)c1"]
["174310199","CCOC1=NC2C=C(C=CC(OC)=C2Br)C(O[C@@H]2CC(C(=N)O)N(C)C2)=C1"]
["MCULE-4224530420","CC(C)(C)C(O)=NC(Cc1ccccc1)C(O)=NCCCCCO"]
["11744443","COc1ccc(NC(O)=Nc2nnc(-c3cccc(F)c3)s2)cc1"]
["184835606","[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4cc(N5c6ccccc6Oc6ccccc65)ccc43)ccc1C21c2cccnc2-c2ncccc21"]
["161159086","CC(=O)N1CCCCC1c1ccc(C(=O)N2CCCO2)n1C"]
["166020803","Cc1nc(-c2cccc(Br)c2)ccc1C(O)=NCCCOCC1CCCO1"]
["58806758","CCCCN=C(O)CNCc1ccc(Cl)cc1"]
["92994592","Cc1ccc(-c2noc(-c3cccc(N)c3O)n2)cc1"]
["44594192","CCn1nc(CN2CC(N)(CC)C2)c2ccccc21"]
["28025803","CCS(=O)(=O)N1CCC(c2ccnc3cnc4[nH]ccc4c23)C1"]
["30606488","CCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cccc(-c2nc3ccc(Br)cc3[nH]2)c1"]
["81102711","OC(C=Cc1c(Cl)cccc1Cl)=NCC1CNNC1"]
["155322286","O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1"]
["109823153","C=CCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1"]
["44529169","Cc1cc(CSc2ncccc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)no1"]
["85294442","Cc1ccccc1CC(O)c1ncc(Cl)cc1Cl"]
["3583771","CCOC(O)=N[C@H]1CC[C@H](OC(=O)CCNc2ccccc2[N+](=O)[O-])CC1"]
["27912519","CCC/C=C/C1CCC(c2ccc(-c3ccc(-c4cc(F)c(C)c(F)c4)c(F)c3)cc2)CC1"]
["MCULE-3704998669","CCCOC(=O)CN(C(CC)C(=O)Nc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]
["149996027","CCC1=C(C(O)=Nc2ccnnc2)c2cc(-c3cncc(CN4CCCC4)c3)ccc2NC1"]
["90233142","COC(=O)c1ccc2c(c1)S(=O)(=O)C(CN)=C2"]
["164815281","CCN=C(O)C(CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O"]
["149005840","O=P(Oc1ccccc1)(Oc1ccccc1)c1cn2c(n1)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]2COCc1ccccc1"]
["28306641","N=C(O)CN1CCN(C(=O)N2CC[C@@H](c3cccc(Cl)c3)[C@]3(C(O)=Nc4cc(Cl)ccc43)[C@H]2c2cccc(F)c2)CC1"]
["172772625","CC(C)c1cc(C(C)C)c(Sc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.CCCC(=O)Oc1ccccc1"]
["45188690","O=C(/C=C/c1ccc(OCc2ccccc2)cc1)OCc1ccccn1"]
["45168104","COc1ccc(Cl)cc1N=C(O)COC(=O)[C@H](C)N=C1NS(=O)(=O)c2ccccc21"]
["183911046","CC(O)=NC(CN=[N+]=[N-])C(c1ccncc1)c1ccccc1Cl"]
["183901278","COc1cccc(OC2(N=[N+]=[N-])C=CC=CN2)c1"]
["87102053","NCc1cc(OCc2cscn2)ccc1Br"]
["113186287","CCCC(C)(O)CNCC(O)COc1ccccc1OC"]
["119454830","CCCCN(C)c1cc(C(O)=Nc2ccccc2OC(C)C)nc(C)n1"]
["111281629","CCCCN(CC)S(=O)(=O)c1cc(F)ccc1CCl"]
["120314408","CS(=O)(=O)CCS(=O)(=O)NCC1CCC(N)C1"]
["120929302","CNCCN1CC(c2ccc(Br)cc2)N=C1O"]
["51613167","O=C1CC(c2cccnc2)=NO1"]
["127494991","Cc1nn(-c2ccccc2)c(C)c1N=C(O)N1CCC2C(CCCN2C2CC2)C1"]
["79002042","CCCCCCCCCCCCCCCCCCCCC(CCCCC(CCCCCCCCCCCCCCCCCCCC)C(=N)O)C(=N)O"]
["120114261","Cc1cc(NN)cc(C)c1S(=O)(=O)N(C)C1CCC1"]
["184426524","CCc1cnc(CSC2=CI=C(N=C(O)c3cccc(C)c3)S2)o1"]
["MCULE-7297160157","Fc1cnc(F)c(-n2cc(Cl)c(C3CCCC3)n2)c1"]
["14146816","OC(CCl)=N[C@H]1CC[C@@H](c2ccccc2)CC1"]
["87745658","Cc1n[nH]cc1CNc1c[nH][nH]c1=N"]
["103589541","CCCc1noc([C@H](C)OC(=O)c2ccc(CN3C(=O)CN=C3O)cc2)n1"]
["89792689","CCCN(CCC(=O)O)Cc1sc(O)nc1-c1ccc(C)cc1C"]
["34396338","CC(C)[C@H](N=C(O)C(F)(F)F)C(=O)O[Si](C)(C)C"]
["163684659","CCOC(=O)/C=C/[C@@H](C)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCC(O)C=C1[C@H]1O[C@@H]31"]
["146441634","CNCCNS(=O)(=O)c1cc(C)c(F)cc1F"]
["MCULE-1027874555","CCOC(=O)CN(C)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(Br)c1)C2=O"]
["MCULE-3367675840","COc1cnc(C(=O)Nc2ccc(C#N)cc2-c2cccnc2F)cn1"]
["151220906","O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc2c(c1)CCC2"]
["84671229","Cc1ccc(OCC(=N)O)c(C(=O)O)n1"]
["31420176","Cc1n[nH]cc1-c1cc2nc([C@@H]3NCC[C@@H]3c3ccccc3)[nH]c(=O)c2s1"]
["122112250","CCCC1CN(C(=O)Nc2cc(CCOC)nn2C)CCN1Cc1ccccc1"]
["4038856","Cc1cnc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)cn1"]
["90093666","Cc1ccc(OCC2CCC2)c(O)c1"]
["MCULE-1892697404","Cn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc1"]
["MCULE-8544944182","COc1ncc(-c2ccc(F)cc2C(O)=NC(C)c2ccc(C)cc2)c(OC)n1"]
["MCULE-7978333833","COc1ccc(-c2cccc(C(C)=O)c2)cc1C(=O)N(C)C1CCN(Cc2ccccc2)C1"]
["48898592","N=C(O)n1nc2c(c1N)-c1ccccc1CN(c1ccc(Br)cc1)C2"]
["70528911","CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C6(C)CC(O)C(C(C)(C)O)O6)CCC45C)C3(C)CO)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O"]
["122355515","CC(C)NS(=O)(=O)CCN=C(O)N[C@H](C)c1ccccc1"]
["76929748","CCOC(=O)CCC(O)=N[C@H](Cc1ccc(F)cc1)C(=N)O"]
["92821067","C/C=C/CCN=C(O)CC12CC3CC(C)(CC(C)(C3)C1)C2"]
["MCULE-5331773032","O=[N+]([O-])c1ccc(Br)c(N=C(O)CCc2ccc(Br)cc2F)c1"]
["161104496","OC(=NCC1=CCNCC1)N1CC[C@@H]2OCC[C@@H]2C1"]
["88888562","N#Cc1cccc(-n2ccnc2N=C=O)c1"]
["46411534","Cc1cc(N2CCCC2)ccc1NCc1nccn1C"]
["MCULE-5734917222","COc1ccc(=NC(=O)c2cc(-c3sccc3C)c(OC)cc2OC)[nH]n1"]
["74009641","COC(c1ccc(Cl)c2c1N(c1ccccc1N=C(S)NN)CC21CCNCC1)C(C)(C)C"]
["MCULE-6428199618","COCCOc1ccc(-c2ccc3c(c2)CCN3C(=O)c2cc(F)cc(OC)c2)cc1"]
["173883339","CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)N(Cc1cccc(C(=O)OCC[Si](C)(C)C)c1)S(=O)(=O)N=C(O)OCc1ccccc1"]
["171476018","CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCCC(=O)OC(C)(C)C)cn2)C[C@H]1CC"]
["118576931","CN=C(NCCC(C)C)NCC(N=C(O)OC(C)(C)C)C(C)C.I"]
["129412322","CC(C)CC1(C(O)=Nc2cccc(-c3ncco3)c2)CCC1"]
["MCULE-5166983750","N#Cc1ccc(-c2ccc([N+](=O)[O-])cc2NC(=O)Cn2cnnn2)cc1"]
["125911969","CC(CN1CCN(c2ccccc2)CC1)NC(O)=NCc1ccc2c(c1)OCO2"]
["143241044","CN(Cc1ccccc1F)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]"]
["168930919","OCCOC1CCN(c2ccc(-c3ccc4cc(-c5cccnc5)sc4n3)cn2)CC1"]
["MCULE-1299203115","COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3NC(=O)C3CC(F)CN3C(=O)OC(C)(C)C)ccc2c1"]
["175639921","CC1=CC2(C)C(=CC1C)c1ccc(C)cc1-n1c(-c3c(C)cc(C)cc3C)cnc12"]
["94443058","Nc1c(Cl)cc(C(=O)CC2CCOCC2)cc1Cl"]
["93883023","C=CC(O)=NCc1ccc(C(=O)N(C)CCOc2ccccc2OC)cc1"]
["51971447","COC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1"]
["MCULE-8568898527","C=C(C)C(=O)N1CC[C@H]2C[C@@H]1C(O)=NCCCN(Cc1cnc3ccccc3c1)CCOc1ccccc12"]
["116200260","CN(C(=O)c1ccnc(Nc2c(F)cccc2F)n1)c1ccccc1"]
["107554645","C[C@H]1NC[C@@H](c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)O1"]
["51089367","CCC(C)Cn1c(CCl)nc2cccc(Cl)c21"]
["164808462","CCC(C(O)=NC)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23"]
["6800647","CS(=O)(=O)c1ccc(-c2nccc(N3CCC(O)CC3)n2)cc1"]
["123271196","OC(=NCc1cccc(Cn2cnc3ccccc32)c1)N1CCC1"]
["186980416","COc1cc(F)ccc1-c1cnc2sc(N3CCC(CN4CCOCC4)(N=C(O)OC(C)(C)C)CC3)nn12"]
["112572916","CCC1NC(c2cccs2)N(CCOCC2CC2)C1=O"]
["136931504","COc1ccccc1-c1nn(C)cc1C(O)=Nc1cccc2nc[nH]c12"]
["MCULE-9859958700","Cc1ccc(F)c(CN2CCC3(CCN(C(=O)c4ccn5nccc5c4)CC3)C2)c1"]
["198323064","C[C@@]12CCC[C@H](CC(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3"]
["MCULE-4895626124","Cc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1C"]
["183575894","O=C(N1CC(Cc2ccccc2Cl)C1)N1N=CCC1c1ccccc1"]
["MCULE-7871897866","COc1cc(C(O)=Nc2nc3ccc(-c4cccc(C#N)c4F)cn3n2)ccc1C"]
["103719917","COCCNC[C@H](O)COc1ccc2c(c1)CCC2"]
["154640254","CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](C2=O)[C@H](c2cccc(Cl)c2F)[C@]2(C(O)=Nc4cc(Cl)ccc42)N3CC2CC2)cc1C"]
["172910840","COc1ccc(-c2cc(CN=C(O)c3c(C)ccn(C4CCNCC4)c3=O)no2)cc1.Cl"]
["MCULE-6466062483","CCOC(=O)c1ccc(CN2C(=O)C(NCc3cccc(C(F)(F)F)c3)=C(c3ccc(Cl)cc3)C2=O)cc1"]
["173686435","[B][C@@]1(C2=Nc3ccc(C)cc3C2c2ccccc2)[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C"]
["198808390","CC(C)(N)CCNCc1cccc2c1C(=O)N(C1CCC(O)=NC1=O)C2"]
["14331357","Cc1ccc(CN(Cc2[nH+]c(-c3cccs3)no2)C2CC2)cc1"]
["130502846","Cc1cc(CN=C(O)N2CCN(c3cccc(F)c3C#N)CC2)ccc1F"]
["85811599","CC(CCCO)N=C(O)OCCO"]
["121815535","CCc1c(C(O)=Nc2nc(C(=N)O)cs2)cnn1CC(C)C"]
["MCULE-6412543875","COc1ccnc(NC(=O)c2cc(-c3cccc(OC(C)C)c3)ccn2)c1"]
["176822619","COc1ncc(-c2nccc3c2C(NC2CCN(C(=O)C4CCOCC4)C2)NCN3)cc1C(F)(F)F"]
["MCULE-1515208661","COc1cc(C2C(C(=O)O)C2(F)F)cc(C=O)c1O"]
["17374097","COc1ccc2c(c1)sc1nc(-c3ccccc3)c(CN3CCN(C(O)=NC(C)(C)C)CC3)n12"]
["144873610","N=c1cc(-c2c(F)ccc3ccoc23)[nH][nH]1"]
["MCULE-1605934538","Cc1cc(N=C(O)c2cc(C)ccc2C)cc(-c2ccc([N+](=O)[O-])cc2)c1"]
["181763409","[N-]=[N+]=Nc1cc(C(=N)O)c2cc3ccccc3cc2c1"]
["169714605","C1CCOC1.CCCCCCCCCCCCCCCC(=O)OCO"]
["44975728","COC(=O)CC(C)SCC(C)N"]
["134810293","COCCN(CC(=O)OC)CC(O)=NCc1ccc(C)cc1"]
["164344377","COc1ccc(-c2c(COCc3ccccc3)n(C)c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1"]
["169499531","CC/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCC(=O)OCC(COC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCCCCCCC)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCCCCCCC"]
["64524865","Cc1ccc(N=C(O)COC(=O)C2(CC(O)=NC(C)(C)C)CCCC2)c(F)c1"]
["135517754","CC(C)n1ccc(CSCc2cc(-c3cnn(C)c3)no2)n1"]
["100944866","C=CCOC(O)=NCCC[C@H]1C(=O)N2[C@H](C(=O)OC)Cc3c([nH]c4ccccc34)[C@@H]2CN1C(=O)Nc1ccc(C)cc1"]
["100868340","CCCN(CCC)C(C#Cc1ccccc1)c1ccccc1"]
["120363580","Cc1c(CN)ccn1Cc1cc(F)cc(Br)c1"]
["154672696","CN1CCCC1c1cc(O)c2c(c1F)C[C@H]1C[C@@H]3[C@@H](C(=O)C(C(=N)O)=C(O)[C@H]3N)C(=O)C1=C2O"]
["28231402","CCOc1ccc2c(c1)c(N)cn2-c1ccc(C(=O)O)c(O)c1"]
["MCULE-5605301628","COc1ccc(=NC(=O)c2ccc(C(F)(F)F)cc2-c2cc3ccccc3o2)[nH]n1"]
["109861411","COc1ccc(OC)c(-c2cc(C(O)=N[C@@H](C)c3ccc(Br)cc3)no2)c1"]
["MCULE-7519319729","CCCCCCn1cc(OCC(O)=Nc2cccc(C)c2C)c(=O)cc1CNc1ccc2c[nH]nc2c1"]
["7510130","OC(=Nc1ccc(F)cc1Br)N1CCC[C@@H]1c1cccc(F)c1"]
["2835577","COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(=O)c3nc(C)sc23)cc1OC"]
["115443172","Cc1ccc(OCC(O)=NC2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1C"]
["114523020","CCOC(=O)c1ncn(-c2cc(F)ccc2Br)c1N"]
["MCULE-9767833045","OC(=Nc1ccc(-c2ccc(F)nc2)cn1)c1cccnc1N1CCOCC1"]
["10064646","COc1cccc(-c2nnn(CC(O)=NCc3ccc4c(c3)CCCO4)n2)c1"]
["76335144","COCCOC1CCN(Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)CC1"]
["MCULE-8878512590","COc1ccc2cc(C(C)C(O)=Nc3c(-c4ccc(F)cc4C#N)cc(F)c(F)c3F)ccc2c1"]
["85699508","Cc1cnc2c(c1)NCCC1CSCCN21"]
["MCULE-3743414906","Cn1nc(C(O)=Nc2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc21"]
["154583044","CCc1nsc(N2CC[C@@H](n3ccnn3)C2)n1"]
["62313340","CCNCCc1c[nH]c2ccccc12.Cl"]
["165880395","CC(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1"]
["182582795","CSCC1(C(=O)c2ccccc2)C=CC(Cl)=CC1"]
["CSSS17742267457","CCOC(=O)c1nn(CC(F)(F)F)cc1CN=c1ccc2ccccc2[nH]1"]
["129331437","CCCC(C)(C)NC(O)=Nc1cc(N2CCCC2=O)ccc1Cl"]
["99874834","O=C(O)c1cc(-c2ccc(CN=Nc3nc(Nc4ccc(F)cc4)nc(N4CCCCC4)n3)o2)ccc1O"]
["4857779","N=c1ccc(I)n[nH]1"]
["48757640","CN(CC1CCCOC1)C(=O)C1C(C(=O)O)C1(C)C"]
["MCULE-3531571530","Cc1c(C(O)=NC(C(O)=NCC(C)(C)c2ccc(Cl)cc2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]"]
["MCULE-7345984494","COc1cc(Cl)c(C)cc1N1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(F)c(C)c2)C1=O"]
["45490533","O=C(O[C@@H]1CC(C(O)=NCCC(O)=NCCO)=C[C@H]2OCO[C@H]21)c1ccccc1C=CCc1ccccc1O"]
["88735331","N#Cc1ccc(OCC(O)CNOC2CCCC2)cc1"]
["187799663","Cn1c(=O)n(CCC(C)(C)O)c2cc(N=c3[nH]c(N4CCCC4CO)ncc3Cl)ccc21"]
["149500542","CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\\c1cccc(F)c1"]
["48819745","CCC(O)=Nc1cc(N=C(O)CN=C(O)C2CCN(C(C)C(O)=Nc3cccc(C(O)=NC)c3C)CC2)ccc1OC"]
["MCULE-8405004669","CCN(CC)C(=O)c1ccc(-c2c(C)cc(NC(=O)Cc3cccc(OC)c3)cc2C)cc1"]
["50162562","CN=C(O)c1ccc(C)c(N=C(O)CN2CCC(C(O)=NC(C)C(O)=Nc3ccc(NC(=O)c4ccc(C)cc4)c(OC)c3)CC2)c1"]
["184215193","CNn1c(C)cc(CCc2sc(C)cc2CCc2oc(C)cc2C)c1C"]
["MCULE-5355862342","CC(C)c1ccc(NC(=O)C2CCN(C(=O)C3CCCCC3)C2)cc1"]
["1281178","C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(O)=NCc2ccc3c(c2)OCO3)c1"]
["60897133","Clc1cccc(NCCN2CCCCCC2)c1"]
["150697714","CS(=O)(=O)OC1CC2CC(C1)[C@@H]1C[C@H]21"]
["178200163","COc1nc(C)ccc1C1=C/C(=O)CC(C)C(=S)C\\C(CCO)=C\\1"]
["MCULE-7062728225","COc1ccc(CC(O)=Nc2cc(F)ccc2-c2cccc(C(C)=O)c2)cc1"]
["48960487","CCC(C)COC(=O)c1cc(N)c(C)c(F)c1"]
["175059848","C=C1c2c(C)ccnc2C=C(Cn2nc(C)c3c(N)ncnc32)N1c1ccccc1F"]
["1153878","CC(C)C(NS(=O)(=O)c1cccs1)C(O)=NCCCN1CCCCCC1"]
["128102312","O=c1cc(CN2CCC(Nc3ccccc3)C2)nc2ccc(Cl)cn12"]
["51203394","COc1cccc(C(O)=NCC(O)=NNC=C2C=CC(=O)C([N+](=O)[O-])=C2)c1"]
["93410163","Cc1c(C(=O)N(C)CCC(F)(F)F)cnn1Cc1ccccc1"]
["9164879","Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(O)=N[C@H](C)c3ccco3)c12"]
["23600038","Cc1cc(C(F)(F)F)n2nc(C3CCN(CCc4ccccc4)C3)cc2n1"]
["25883631","O=C(O)CC(N=C(O)CN=C(O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Br)cc(Br)c1O"]
["148297763","O=C(O)[C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@H]1c1ccc(Cl)cc1"]
["MCULE-6398968117","CCCOc1c(Br)cc(C=Nn2c(C)nnc2SCc2ccccc2C)cc1OC"]
["MCULE-4713469384","CCOc1ccc(F)c(-c2cc(C(O)=NCC3CCCO3)ccc2F)c1"]
["194857353","CCOC(=O)CCc1cc2ccoc2c2c1O[C@@H]1O[C@@]3(CSS[C@@]4(CC5(CCCC5)[C@]5(CC[C@@H](CNC)C5)C4)[C@H](CC[C@H](C)CCC[C@H]3O)NCCO2)[C@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O"]
["26160142","CC(=O)Oc1c(C(C)(C)C)cc2c(c1C(C)(C)C)CC(C)(CI)S2"]
["123783626","CC(C)CN(Cc1ccccc1Br)C(=O)Cc1cnn(C)c1"]
["124115975","CC(C)(CN=C(O)CN=C(O)c1cc2ccccc2[nH]1)c1ccncc1"]
["117721634","CCN=C(NCc1ccc(F)c(C)c1)NC(C)(C)C.I"]
["132005489","Cc1cccc(C)c1CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1"]
["92680923","COC(=O)CN(CC(=O)OC)c1cccc(Br)c1C#N"]
["173050296","CCCCCCCCC(=CCO)CCCCCCCCCN"]
["5884286","O=C1O[C@H](C(O)=NN=C(O)COc2ccc(F)cc2)Cc2ccccc21"]
["84403797","Cc1cc2c(o1)CC(C)(C)CC2N=C(O)C1CC1(Cl)Cl"]
["136857439","Cc1cc(O)cc(=O)n1C(C)C(O)=Nc1ccc2nc(C3CC3)sc2c1"]
["108591075","CN[C@]1(C)CCCSc2ccc(C(C)=O)cc21"]
["78109438","CCSCC(C)C(O)C([C]=O)NC"]
["127670579","O=C1CCCCN1C1CCN(C(O)=Nc2cccc(CC(F)(F)F)c2)CC1"]
["156024078","COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1"]
["27469467","C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)N(CC(=O)O)C1CCCC1"]
["155020969","COCCO[C@@H]1CN(C2CCN(CC3CCCCC3)CC2)C12CCCCC2"]
["173522164","C=CC(=O)N(C)CCCc1ccc(C2C=CC(c3ccc(CCCCC)cc3F)=CC2)cc1"]
["128991235","COc1ccccc1N1CCC(N=C(O)CCCSC(C)(C)C)C1"]
["29146999","CCCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1"]
["97776416","C[C@H](OCc1ccccc1)[C@H]1OC[C@H]2C1=CC[C@H]1C(=O)OC(=O)[C@H]12"]
["164667869","CC(C)c1nn(C)cc1F"]
["123640224","CCCCC(Nc1ccc(NC(=O)CN(C)C)cc1)C(=O)OC"]
["MCULE-7194758663","CC1(c2c(C3CC3)nn(-c3ccc(F)c(C(F)(F)F)n3)c2I)CC1"]
["94070717","Cc1nc(=NC(O)=Nc2cccc(C(C)N)c2)o[nH]1"]
["136075084","COC(=O)CCN1CCN(C(O)=NC(C)C(C)(C)c2ccccc2)C(C)C1"]
["MCULE-4900857029","Cc1nc(N=C(O)Cc2ccc(F)cc2)ncc1-c1ccc2cnn(C)c2c1"]
["162856838","Cn1ncc(-c2cccc(F)c2C=O)n1"]
["124517671","Cc1cscc1C(O)=NNc1c(Cl)cccc1Cl"]
["7217213","CCOC(=O)c1c(N=C(O)CSc2nncn2CCOC)sc(C)c1-c1ccccc1"]
["182077311","Cc1cccc(C(=O)Nc2ccc(C(=O)N=[N+]=[N-])cc2)c1C"]
["199974990","C=C(C)C(/C=C\\C(C)=C(N)/C(NN(O)CCc1ccc(F)cc1)=C(/C)N)=NC=O"]
["114579353","C#CCN=C(O)C(C)Oc1ccc(CNC)cc1F"]
["105942954","CCCN(CCC)C(=O)C[C@@H](C(=O)O)c1ccc(C(=O)O)o1"]
["180074290","CCC1CNC2CC(Cl)CCC2C1"]
["56388978","CCOC(=O)c1c(-c2ccc([N+](=O)[O-])o2)noc1-c1ccccc1"]
["62385207","O=c1c2cc([N+](=O)[O-])ccc2ncn1CCC(O)=Nc1ccc2c(c1)OCO2"]
["80092233","COC1=CC2=NC(=S)NC(=NCCN3CCN(c4ccc(OC)cc4)CC3)C2C=C1OC"]
["31092645","CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\\c1sc(N2CCCC2)nc1-c1ccccc1"]
["57962493","Cc1ccccc1CNC(=O)c1c(N)cnn1C"]
["138227521","CC(C)C1C(O)=NCCN1C(O)=Nc1cccc(COCCc2ccccc2)c1"]
["129354741","CC(C)(C)N=C(O)c1cccc(NCc2ccccc2C(C)(C)C#N)c1"]
["MCULE-8630738459","COc1cccc(C=Nn2c(S)nnc2CC(C)(C)C)c1OCc1c(Cl)cccc1Cl"]
["MCULE-7972136351","CCOC(=O)C1CCCN(c2nc3cc(C)c(Cl)c(C)c3o2)C1"]
["MCULE-1007246773","CCOc1cccc(C=Nn2cnnc2S)c1"]
["176319187","Cc1noc(-c2ccccc2)c1CSC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C"]
["142366581","Oc1nc(-c2ccc(OCC(F)F)nc2)nc2ccc(Cl)cc12"]
["152373978","COc1cc(/C=N\\N=C(O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(Br)c1OCc1ccccc1"]
["43948232","Cc1ccccc1Cn1c(CCCN2CCCCCC2)nc2ccccc21"]
["88397771","C=CCN(CC)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1C"]
["159304478","COC(=O)Cc1cc(OC)cc([N+](=O)[O-])c1Cl"]
["53071414","CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(O)=NC1c1ccc(OC)c(OC)c1"]
["95576330","NCCCc1cccc(N=C(O)Cc2ccccc2O)c1"]
["112253200","Cn1ccc(CCN=C(O)C(C)(C)C#N)n1"]
["170104957","O=C(CCl)N(CCCCO)c1nccs1"]
["157705244","COc1c(C)cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=N)O)C2)cc1C"]
["42680034","CC(Cn1cccn1)NCc1ccn(C2CCCC2)n1"]
["107125383","CC[C@H](CN)CC(=O)Nc1ccc(Cl)cc1"]
["107631488","C[C@H]([C@@H](C)c1ccccc1)N(C)O"]
["MCULE-4852732141","CCCc1nn(-c2ccccc2)c2c1C(c1ccccc1[N+](=O)[O-])C(C(O)=NCCCN1CCOCC1)=C(N)O2"]
["1722824","CCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(N=C(O)Cc3cccc(F)c3)cc21"]
["44859979","CCCc1cc(=O)oc2cc(OC(=O)c3cccnc3N3CCCC3)ccc12"]
["139570471","CC(=CC(=O)N1CCCC(Cn2nc(C)nc2C)C1)c1ccc(F)cc1"]
["176960526","CC1CCN(C2CCN(Sc3ccc(Cl)cc3)CC2)CC1"]
["156005616","C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSCC(=O)c2ccccc2)(c2ccccc2)N1"]
["MCULE-8606681333","COc1ccc(CC(O)=Nc2cnccc2-c2c(OC)cc(OC)cc2OC)c(OC)c1"]
["17689136","C[C@@H](OC(=O)Cn1c(=O)oc2ccccc21)C(O)=Nc1sccc1C(N)=O"]
["91090018","Cc1cc(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C=C(C(F)(F)F)C(F)(F)F)c1N1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N=C4O)cc2C1=O"]
["MCULE-7037096243","Cc1cc(C)c(-c2cc(F)c(N=C(O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2C)c(C)c1"]
["183312170","NNCc1ccc(CN2CC(C(=O)N3CCC(C(=O)OCc4ccccc4)CC3)N=C2O)cc1"]
["27823609","CCc1cccc(N=C(O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1"]
["MCULE-8530806811","Cc1cccc(-c2ccc(F)c(CC(O)=Nc3ncc(C#N)cn3)c2)c1"]
["MCULE-5371833359","COc1ccc(C(O)=Nc2cccc(N3CCN(C)CC3)c2)cc1-c1cccc(CN2CCOCC2)c1"]
["164626456","CCOc1cn(C2CCCN(C)C2)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1F"]
["MCULE-7776951417","CCc1cc(=O)oc2c(C)c(OC(C)C(O)=Nc3ccc(F)c(Cl)c3)ccc12"]
["193945399","Cc1ccc(C#Cc2ccc(CCNC(=O)c3ccc(-c4ccc(C)cc4)o3)cc2F)cc1.O=C=O"]
["151096061","O=C(O)C1(C(=O)N2CC[C@@H](COCc3ccccc3)C2)CC1"]
["MCULE-2062195646","O=C(O)CCN(CCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]
["43550208","COc1ccc(CC[C@H](C)NCc2ccccn2)cc1"]
["117839076","COc1ccc(CN2CCC(CN=C(N(C)C)N(C)C)CC2)cc1.I"]
["127802230","Cc1ocnc1C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1"]
["149847306","CC(=NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cc(F)cc(F)c2)c1"]
["139105796","CN=C(O)Cn1cc(N=C(O)C(C)Sc2ccccn2)cn1"]
["117828607","COc1ccc(OC)c(NC(=N)NCc2cccc(N=C(O)C3CCCCC3)c2)c1"]
["76649560","Cc1c(CCC(C)C)n(Cc2ccc(-c3ccccc3C3NNNN3)cc2)c(=O)n1C(=O)Cc1ccccc1"]
["92748821","CCCC1CCC(CN)C(c2cc3cccc(C)c3o2)C1"]
["157915842","Cc1ncc(CN[C@H]2[C@@H]3CCC[C@@H]32)[nH]1"]
["150346702","O=C(On1c(O)ccc1O)C(CS(=O)(=O)O)N=C(O)C(CS(=O)(=O)O)N=C(O)OCC1c2ccccc2-c2ccccc21"]
["153846821","OC(=NC[C@H]1CC[C@@H](C(O)=Nc2ccccc2)CC1)c1ccnc2ncccc12"]
["88618284","CN(C)C(O)=NCCN=c1[nH]cncc1I"]
["126185724","Cc1nc(C)c(C(O)=NC(C)(C)c2ccc([N+](=O)[O-])cc2)s1"]
["63054015","CC[C@H](O)[C@@](C)(O)[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2CC(C)(OC)[C@@H](O)C(C)O2)[C@H](C)[C@@H](O[C@@H]2OC(C)CC(N(C)CCCO)C2O)[C@@]2(C)CC(C)=C(O2)[C@@H]1C"]
["139226028","CC(Cc1ccccc1F)N=C(O)CC1CCN(C(=O)OC(C)(C)C)C1"]
["93111984","COC(=O)C1CC(O)CN1C(=O)c1c[nH]nc1C"]
["21639061","Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)N=C(O)[C@H](CC(=O)N1CCCC1)CS2"]
["172404480","N=C(O)c1cc2ccccc2cc1N=C(O)Nc1c(Cl)cc(Cl)cc1Cl"]
["MCULE-7865947815","CN=C(O)c1cn(-c2c(C)ccnc2F)nc1C1CCC1"]
["MCULE-6718815148","COc1ccc(-c2cc(N)n3nc(C4CC4)c(C#N)c3n2)cc1C"]
["150078127","CC1(C)CCC(C)(C)c2sc(N(C(=O)C3CCC3)C3CC=C(C(=O)O)C=N3)nc21"]
["171626882","CSC1SC(N)=CN1C1CCN(C)CC1"]
["154616869","OCC1([C@@H](N=C(O)c2ccc(O)c(F)c2)[C@@H]2CCCO2)CCC1"]
["52998748","CCNC(c1ccc(CC)s1)c1ccc(F)cc1F"]
["166631454","CC(C)[C@H]1COC(=O)N1c1nc(=NCCc2ccc(NC3CCNCC3)cc2)[nH]c2ccsc12"]
["148850352","CN(C)c1nc(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)nc(N2CCCC2)n1"]
["44117721","Cn1ccc(=NC(=O)C(c2ccccc2)n2cnnn2)[nH]1"]
["13483466","CSc1ccc(N2C[C@@H](C(O)=NCC(O)=NCC(F)(F)F)CC2=O)cc1"]
["12338641","CSCCC(C(=O)[O-])(c1ccccc1)c1ccccc1"]
["8238741","Cc1cccc2s/c(=N/C(=O)[C@H]3CCCN3S(C)(=O)=O)n(C)c12"]
["MCULE-9026835206","Cc1cccc(CC(O)=Nc2ccccc2-c2cnccc2C)c1"]
["144819816","CNC(C)Cc1nc(C(=O)OC)c2c(N)cccn12"]
["MCULE-9516268113","CCOc1ccc(-c2cc(F)c(N=C(O)c3cnn(C)c3)c(F)c2)c(C)c1"]
["174884791","CC(=O)CC(C)=O.[Co].[Pd]"]
["MCULE-8883882968","Cc1cccc(-c2cccc(S(C)(=O)=O)c2)c1N=C(O)Cc1noc2ccccc12"]
["126870350","Cc1c(C(=O)N=c2ccn(CC(=O)O)[nH]2)oc2c(Cl)cccc12"]
["79509978","CCC(=O)C[S+](C(C)C)C(C)C.CCCCS(=O)(=O)[O-]"]
["MCULE-2537693611","CCCCCOc1ccc(C2C(C(O)=NCc3cccc(Cl)c3)=C(N)Oc3c2c(C)nn3C)cc1"]
["MCULE-1411760331","CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3Cl)C2c2ccc(OCc3ccccc3Cl)cc2)cc1"]
["151099683","CNC[C@H]1CCCN(C(=O)CCCOc2ccccc2C)C1"]
["MCULE-8299266734","Cc1ncc(NC(=O)c2nn(C)c3ccccc23)cc1-c1ccc2c(ccn2C)c1"]
["180040884","CCC1(C2CCCC2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5c6ccccc6c(-c6ccc7c(c6)C(C6CCCC6)c6ccccc6-7)c6ccccc56)c4)c4ccccc34)cc21"]
["MCULE-2804587772","COc1cccc(C(O)=NC2Cc3ccc(-c4ccc5c(c4)OCCO5)cc3C2)c1F"]
["MCULE-5978412986","Cn1ncc(C#N)c1N=C(O)Cc1ccc(F)c(-c2ccc([N+](=O)[O-])cc2)c1"]
["67653274","CCNC(CSCCO)c1ccc(OC)c(OC)c1"]
["83611483","O=C(CN1CCN(C(=O)C2COc3ccccc3O2)CC1)[NH2+]c1ccc(F)cc1"]
["124250932","Cc1nccc(CN=C(O)NC(C)CN(C)Cc2ccccc2)n1"]
["104545987","CCOc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2CCOC)cc1"]
["109011155","COc1cccc(N=C(O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1"]
["73507751","CC(C)N(C)Cc1cc2c(cc1Cl)C=C(C(=O)OC(=O)C(F)(F)F)C(C(F)(F)F)O2"]
["MCULE-4320767651","OC(=Nc1cc(F)c(-c2ccc3ccccc3c2)c(F)c1)c1ncccc1F"]
["192952298","CCCN1C/C(=C\\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1.COC(=O)CCc1sc2c(c1[N+](=O)[O-])N=C(O)CCC2.Cc1cc(C)c(C(=O)/C=C/c2ccccc2F)c(O)n1"]
["131105813","Cc1c(C(=O)N2CC(C)NC(C)C2)oc2c(Cl)cccc12"]
["MCULE-3545992811","CN(C)CCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2F)C1=O"]
["111793125","Cc1nc(-c2ccco2)ncc1[C@H](C)O"]
["164316927","CC(C)c1cc(C(=O)NC2CCCN(C(=O)c3cccs3)C2)nc(=N)[nH]1"]
["114175639","O=C1CCCCC1Cc1nc(-c2ccc(F)cc2Br)no1"]
["97167887","CC(CN=C(O)CCN(CCC(O)=NCC(C)N(CCC(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1)C(C)CN=C(O)OC(C)(C)C)N(CCC(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1"]
["123034932","Cc1cc(C(=O)CN2CCN(CC(=N)O)CC2)c(C)n1CC(F)(F)F"]
["101740634","C=CCN=C(CCl)NC(=NCC)Nc1cnn(C(C)CCN(C)CO)c1"]
["MCULE-4167388659","COc1ncccc1-c1ccc([N+](=O)[O-])cc1N=C(O)c1ccc(N2CCOCC2)cc1"]
["131611291","CCCCCS(=O)(=O)N1CCN(C(CC)CO)CC1"]
["165304771","CC(=O)N1CCc2c([nH]c(-c3ccncc3)nc2=N[C@@H]2CCCC[C@H]2O)C1"]
["112138043","CC(C)N(Cc1ccccc1)C(=O)c1cccc(Br)n1"]
["135160459","Cc1ccc(CC(O)=NC2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1"]
["144246743","COCc1ccccc1CNC(=O)C(=O)Nc1ccccc1Br"]
["184230219","[B]Nc1c(Nc2ccc(Br)cc2F)c(F)c(=O)n2c1CCC2"]
["93492919","Cc1cnc(N=C(O)c2cccc(N)c2Br)s1"]
["83162801","CC(C)Oc1ccc(S(=O)(=O)N2C[C@H](n3nc(CC(=O)O)c4ccc(F)cc43)C[C@H]2C(=O)N(C)C)cc1"]
["16948206","CCOC(=O)c1ncn(-c2cccc(Br)c2)c1N"]
["174511562","Cc1ccc(C(C)C(=O)C2C=c3c(ccc4c3=CCc3ccccc3-4)C(C3=CC=CC=CN3)C2)cc1"]
["200612372","COc1cc2nc(-c3ccc(OC)c(OC)c3OC)[nH]c2cc1/C=C/C(O)=NC(C)(C)C"]
["88220765","COCCONS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1"]
["106590827","C[C@H]1CN(Cc2ccc(C(=O)N(CC#N)CC#N)cc2)C[C@H](C)O1"]
["142404028","COc1ccccc1CN(C[C@H]1CCCO1)C(=O)CN(C)C"]
["190635747","CCCCN=C(O)c1c(N2CCN(C(=O)c3ccc(C)cc3C(F)(F)F)C[C@H]2CC)ccc(-c2cccnc2OCC)c1F"]
["22411800","CC(C)C(O)=NC1CCN(Cn2c(S)nnc2CCC2CCCC2)CC1"]
["MCULE-1699951826","CCN(CC)C(=O)c1ccc(-c2ccc3ncc(C(=O)N4CCN(CCC#N)CC4)n3c2)cc1"]
["50767637","CCC(Cc1nc(Cc2cc(F)cc(F)c2)no1)NC"]
["MCULE-3486419624","CCOC(=O)c1c(N=C(O)c2ccc(C(=O)O)cc2)sc(C(=O)Nc2ccccc2)c1C"]
["161480656","CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2c(C#N)cccc21"]
["127189348","CSC1CCCCN(C(=O)CCn2nc(O)c3ccccc3c2=O)C1"]
["143666600","COc1ccc(Br)c(CC(=O)N2c3ccccc3C[C@H]2C(=N)O)c1"]
["43152982","CCN(c1ncnc2sccc12)C1CCS(=O)(=O)C1"]
["67450432","C[C@@H](C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1C(=O)C2CCCCC2C1=O"]
["140962523","CC(C)c1cc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc(O)n1"]
["MCULE-4535030504","COc1ccc(C#N)cc1-c1ccc(C(O)=NOC2CCCCO2)c(F)c1"]
["140003314","Cc1cc(C(C)NC(O)=NCCS(=O)C(C)(C)C)c(C)o1"]
["20357841","CC(C)Cc1nnc(N=C(O)[C@@]2(C)Oc3ccccc3N=C2[O-])s1"]
["17186417","COCCN1CCC[C@H]1C[NH+]=C(O)[C@H](C)Oc1ccc(Cl)c(C)c1"]
["4435621","CCN(CC(=O)Nc1ccc(N=C(C)O)cc1)CC(O)=[NH+][C@H](C)c1ccc2c(c1)CCCC2"]
["152197109","C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1"]
["80130435","CCN(C(C)=O)c1nc(C=CC(=O)c2scnc2C)cs1"]
["80843652","CC1CCN(C(CN=C(O)Cn2c(C3CC3)nc3ccccc32)C(C)C)CC1"]
["54753260","CCOCCCN=C(O)/C=C/c1ccc(OC)c(S(=O)(=O)NC)c1"]
["68254188","Brc1ccc2nc(C3CCCS3)[nH]c2c1"]
["MCULE-7830444589","COc1ccc(F)cc1C(=O)Nc1c(C)cc(-c2cccc(F)c2C)cc1C"]
["MCULE-1032138439","CC1CCCCC1N=C(O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)C1c1ccncc1"]
["121770384","CCCN1CCN(C(=O)C(O)=Nc2ccc(Cl)c(CS(C)=O)c2)CC1"]
["78645998","C=CC(=O)OCCC(=O)OCC(COCC1CCC(COCC(COC(=O)CCOC(=O)CCC(CCC)(C(C)=O)C(=O)OCC)OC)CC1)OC"]
["193824510","CN=C(O)[C@H](CC(=O)[C@@H](N=C(O)[C@@]1(C)CO1)c1ccccc1)Cc1ccc(C#N)cc1"]
["63506062","Cc1nc(C2CCCOC2)sc1CNC1CC1"]
["147335611","OC(Cc1cccc(F)c1)=NCC1CNCC1O"]
["20090872","OC(=NCCN1CCc2ccccc2C1)c1ccccc1Br"]
["MCULE-1798872434","Cc1cc(-c2ccc(C3(N=C(O)OC(C)(C)C)CCC3)cc2)cnc1O"]
["MCULE-1194772430","CC1Oc2c(N=C(O)C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)cc2N(C)C1=O"]
["166815903","C=C(C)/C=C(/OCC(C)(C)C(=O)OC)N(C)/N=C(\\N(COCC[Si](C)(C)C)NC)S(C)(=O)=O"]
["109367418","CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O"]
["146304974","CCOc1ccc(S(=O)(=O)N(C)C)cc1N=C(O)CNC.Cl"]
["106522817","c1ccc(CCn2cnnc2SC[C@@H]2CCCCO2)nc1"]
["61478008","C=C1/C(=C/C=C2\\CCCC3(C)[C@@H]([C@H](C)/C=C/C=C/C(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]
["141759712","CC(c1ccccn1)N1CCN(CC(=O)N2CCCC(C(F)(F)F)C2)CC1"]
["3266069","CCC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1"]
["16489736","C[C@@H](NS(=O)(=O)c1cccs1)C(O)=Nc1ccccc1C(=N)O"]
["60372133","CCc1cccc(N=C(O)N2CCSC2c2ccc(C(C)(C)C)cc2)c1"]
["MCULE-6674143484","COC(=O)c1coc(N=C(O)c2ccc3nc(C)oc3c2)n1"]
["MCULE-6639439407","COc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(c3ccccc3Cl)C2=O)cc1OC"]
["172224227","CC1(C)CC(/C=C/c2ccc3cc(O)ccc3c2)=CC(C(C#N)C#N)C1"]
["MCULE-9927753283","Cc1sccc1C(=O)N(C)c1ncc(-c2ccc3ccccc3c2)cn1"]
["MCULE-3539589935","N#Cc1ccccc1N=C(O)CCCOc1ccc(-c2c(F)cc(F)cc2F)cc1"]
["169819232","CCCCCCCCC(C(=O)O)N(C(=O)C(C)C)C1=CC=CC2C(=O)c3ccccc3C(=O)C12"]
["90335965","CC(=NN=C(O)Cc1nc(C)cs1)c1ccc(OCC(=O)O)cc1"]
["74817304","CCC1(CC)CO[PH](=O)O[PH](=O)O1"]
["123657543","Cc1nc(C)c(S(=O)(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)s1"]
["182479022","CCC(C)C(C(=N)O)(c1ccccc1)c1ccc(O)cc1"]
["155523546","CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3"]
["169805827","CN=C(O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)nn(C(=O)N(CCN=C(O)CC[C@H](N)C(=O)O)CCC(O)=N[C@@H](CCN)C(O)=N[C@H](C(=N)O)[C@@H](C)O)c2c1"]
["180834912","CCn1c2ccccc2c2cc(/C(C)=C3/OC(=O)I(C)C3=O)ccc21"]
["104245992","O=C([C@@H]1CCCO1)N1CCC[C@@H](c2cc3cccnc3c(O)n2)C1"]
["158772341","N=C(O)CC1(NS(=O)(=O)N2CCCCCC2)CCC1"]
["125868001","Cn1cc(C2CCCN2C(=O)c2cccn2C2CCCC2)cn1"]
["156413002","Cc1cccc(C(=O)N2CCCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)c1"]
["176036947","CC.CCOc1ccc(Cc2cc([C@H]3CC(OCc4ccccc4)C[C@@](CO)(C(=O)O)O3)ccc2Cl)cc1F"]
["173938620","COc1ccc(/C(O)=C2/C(=O)c3ccccc3SN2CC(O)=Nc2ccccc2)cc1"]
["139142581","CN(C)c1ccccc1NC(O)=NCC(O)c1cccc(F)c1"]
["154864231","Cc1cncnc1N1CC2CN(CCN3CCCOCC3)CC2C1"]
["122817114","COc1ccc(N=C(O)C(N=C(O)c2ccccc2OC)C(C)C)c(Cl)c1"]
["MCULE-6455197773","COc1ccc(-c2ccc(N3CCCC3)nc2)cc1CCC(=O)N1CCN(C(=O)c2ccco2)CC1"]
["MCULE-6528203256","N#CCC(O)=Nc1nc2cc(-c3ccccc3C(=N)O)ccc2o1"]
["30982957","CCNC1CCN(CCCCOc2ccc(F)c(F)c2)CC1.Cl"]
["MCULE-2392924119","CS(=O)(=O)c1ccc(-c2cccc(C#N)c2N=C(O)CCC2CCCCC2)cc1"]
["MCULE-5829804598","Cc1cccc(-c2cncnc2)c1N=C(O)CSc1ncccn1"]
["174319559","OC(=NCCNc1cc(-c2ccccc2Cl)nc2c(I)cnn12)Nc1ccc(F)c(F)c1"]
["MCULE-2939046051","CN(C)Cc1ccc(-c2ccc(N=C(O)c3ccccc3)cc2F)cc1"]
["8965903","CCc1ncc(CN(C)C(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)s1"]
["189931604","COc1ccc(Cl)c(Cl)c1-c1cc(CN2CC(C(=N)O)C2)ccn1"]
["174585696","CC(=O)OC(=O)C(C(=O)c1ccccc1O)C(C)N(C)C"]
["165119885","CCCCCCCCc1nc2ccc([N+](=O)[O-])cc2[nH]1.Cl"]
["MCULE-1022578901","Cc1cc(F)cc(-c2ccc(F)cc2C(O)=NCCCOC(C)C)c1"]
["171918036","CN(C)C(CCO)CCO"]
["124706548","CCCC(N=C(O)OC(C)(C)C)C(O)=NC1(c2ccc(F)cc2)CCOCC1"]
["MCULE-5633034658","O=C(CCCOc1ccc(-c2cncc(F)c2)cc1)N1CCN(c2ccccc2F)CC1"]
["171712631","CC(=O)Oc1ccc2c3c1O[C@H]1[C@H](N(CC(C)C)S(=O)(=O)Cc4ccccc4)CC[C@@]4(O)[C@@H](C2)N(CCc2ccccc2)CC[C@]314"]
["30043530","Cc1cc(CNCC(=O)N2CCN(c3cccc(C)c3C)CC2)n[nH]1"]
["152821089","CCCOc1ccc(C(O)=N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC"]
["80925588","Cl.O=C(O)CC1CCC(N(Cc2cccc(F)c2)CC2CCCC2)C(c2ccc(C(F)(F)F)cc2)C1"]
["56376529","CCNC(C)(C)C(O)=Nc1cc(C)cc(C)c1"]
["148402456","O=C(O)c1ccc(CN=C(O)N2CCC(C(O)=Nc3ccccc3)CC2)cc1"]
["140742560","C#Cc1cccc(N=C(O)CNC(O)=NCc2ccc(OCCN(C)C)cc2)c1"]
["MCULE-8028611296","O=C(N=c1ccc(-c2ccc(OC3CCCCO3)cc2)n[nH]1)c1cccn2ccnc12"]
["34187618","COc1ccc(-c2c(OCc3ccccc3)cc3c(c2OC)OCO3)c(OC)c1OC"]
["191597675","C.CCCCOc1ccc([C@@H](O)[C@@H](CN2CC[C@@H](F)C2)N=C(O)CCCCC(=O)c2ccc(F)cc2)cc1.O=C(O)C(F)(F)F"]
["25149587","C=C([O])N(c1ccccc1)c1ccccc1"]
["MCULE-9509762241","CCOC(=O)Cc1ccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(Cc3cc(C)ccc3C)C2=O)cc1"]
["147431089","COc1ccc(S(=O)(=O)Nc2cccc(C(O)=NCCN3CCN(c4nc5c(C)ccc(C)c5s4)CC3)c2)cc1.Cl"]
["156793877","COCCNCC(O)=N[C@H]1CCN(C(=O)CCc2ccccc2)C1"]
["3091688","C[C@H](c1ccccn1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1"]
["MCULE-8951342328","CCC(C(O)=Nc1cccc(C(F)(F)F)c1)N(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1"]
["MCULE-2367414024","CCCCC(=O)N1C(c2ccc(OCC)cc2)CSc2nnc(COc3cc(Cl)ccc3Cl)n21"]
["156375817","C=C/C=C\\C=C\\CN(Cc1ccc(N(C)C)cc1)CC(c1ccccc1)c1ccccc1"]
["81353594","CN1CCCCC1C(=O)C(Cc1cccc(NC(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1"]
["151344926","Cc1cccc(CCN[C@H](C)Cn2cc(Br)ccc2=O)c1"]
["182112636","CN(CC(=N)O)CC(=O)N(C)N(N=[N+]=[N-])c1ccccc1"]
["MCULE-5290698434","COC(=O)C1CC1c1ccc(CN)cc1"]
["126353292","CC(C)(N=C(O)Cc1nc2ncccn2n1)c1ccccc1Br"]
["121061420","CC(C)C(=O)Nc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1"]
["173598042","CC(C)(C)CCC1=N[N-]C=C=C1.[CH3-].[K+]"]
["MCULE-6369702341","O=C(Cc1cccc(-c2ccc(F)cc2)c1F)N1CCN(C(=O)c2ccccc2)CC1"]
["63458993","CC(C)c1cc(OCCCc2ccccc2)c(C(=O)O)s1"]
["176123614","CC(C)OC(=O)C(C)NP(=S)(NCC=O)OCC1OC(n2cc(Cl)c(=[NH2+])nc2O)CC1O.COC(C)C.FCF"]
["187795221","COC(=O)c1cc2scc(C(C)O)c2[nH]1"]
["167760002","CCCCCCCC/C=C\\CCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCC(C)C)OC(=O)CCCC/C=C\\CCCCCCCCCCC"]
["188393814","CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCC1OC1C/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)(O)OCCN"]
["46941463","OC(CN1CCC[C@@H]1c1cccs1)=[NH+]c1ccc2ccccc2c1"]
["74905298","Cl.NNC=Nc1ccc(CCc2csc(NC(=O)O)n2)cc1"]
["175202432","NN1N=C(C(=O)O)C(C(=O)O)=CS1"]
["856452","CC(NC(=O)C(=O)NN=C1CCCC1)c1ccccc1"]
["42495052","CC(C)C1CNC(C2CC2)CN1CC1COCCO1"]
["11443391","Cc1ccc([C@@H](C[NH+]=C(O)CCCOc2ccccc2)N(C)C)cc1"]
["96083516","CC1(C(=O)O)CCCN1c1cccc(Cl)c1[N+](=O)[O-]"]
["75986668","COc1ccc(CNOCC(=O)N2CCN(Cc3ccc(N)cc3)CC2)cc1"]
["193690261","c1cc(Sc2ccc(Cn3cncn3)cc2)nc(Cc2ccc(N3CCOCC3)cc2)n1"]
["131537978","Cc1cc(CCCC(O)=Nc2ccc(C(N)=O)nc2)c(C)s1"]
["165331195","Cc1nc(CN2C[C@@H]3CN(C4CCOC4)C[C@@H]3C2=O)cs1"]
["MCULE-5928688323","CC(C)Oc1ccccc1N=C(O)C=CC(O)=NCc1ccccc1"]
["MCULE-1631585669","Cc1ccc(-c2cc(F)ccc2C)c(N=C(O)CSc2ncccn2)n1"]
["MCULE-1883662910","CCCc1nn(CC)c2c1C(c1cccc(OCC)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2"]
["62116350","CCCc1ccc(C(=O)NN=C(O)Cn2nc(C)cc2C)cc1"]
["MCULE-7592454470","Cc1cc(N=C(O)c2ccc(-c3ccc(N4CCN(C)CC4)nc3)c(C)c2)on1"]
["MCULE-6096207790","CCc1ccc(-c2cccc(C#N)c2N=C(O)Cc2ccccc2OC)cc1"]
["88849265","CC(C)(C)c1ccc(-c2nnc(CCCCN)o2)cc1"]
["66989778","Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1"]
["MCULE-2487320151","Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cn2)cc1Cl"]
["4749132","C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c2ccccc21"]
["95678104","O=C(O)CCCNS(=O)(=O)CCCCCl"]
["47133940","O=C1C=CC(Cl)=C/C1=C1\\C=C(c2ccccc2)N=C(N=Cc2ccccc2)N1"]
["185878968","O=C([O-])c1ccccc1-c1ccon1"]
["67112723","CC(Sc1cccc(N=C(O)/C(=C/c2cccs2)N=C(O)c2ccccc2)c1)C(O)=Nc1nc2ccccc2s1"]
["MCULE-8931314203","CCc1ccc(-c2cc(C)ccc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1"]
["46239535","C/C=C/CN(CC(O)=NCC(C)(C)c1ccccc1)C(=O)C(CC1=CCC=N1)N=C(O)OCc1ccccc1"]
["199771950","C/C=C(\\C)c1ccnc(-c2cccc(C)c2)c1"]
["188574036","CCCCCCC1=NN(C(=N)S)C(O)(C(F)(F)F)C1"]
["183972758","CCCCCCCCCCNC(CO)c1cccc(C(F)(F)F)c1"]
["123770132","COCCn1ccc2ccc(NC(=O)C(=O)NCCOCCC(C)C)cc21"]
["121528857","CNS(=O)(=O)c1cccc(C(C)NCc2ccccc2-n2cccn2)c1"]
["179395874","N=C(O)c1cn(C2CCC(NC3COC3)CC2)nc1Nc1ccc(CC(F)(F)F)cc1"]
["MCULE-6608626905","Cc1ccc(NC2=C(c3ccc(OC(C)C)cc3)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)C2=O)cc1C"]
["MCULE-3008192291","COc1cnc(N=C(O)c2ccc(C)c(-c3cncc(F)c3)c2)nc1"]
["109035126","CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(C)C(O)=N[C@@H]1c1ccc(OC)c(OC)c1"]
["141523488","Cc1ccc(OC(C)C(=O)Nc2ccnn2-c2ccc(C)nn2)cc1"]
["95230352","O=C1CC(O)=NC(=O)N1c1ccc(F)cc1Cl"]
["159072179","COC(=O)Cc1ccc(Br)c(OC(F)F)c1Br"]
["146896749","Cc1ccc(N=C(O)C(C)C(C)N)cc1N=C(O)C(C)(C)C.Cl"]
["149211370","CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)C2c2cc(Cl)c(O)c(OC)c2)cc1"]
["171243935","N=C(O)Nc1ccc2nccc(N3CCNCC3)c2c1"]
["MCULE-6045047390","COc1ccc(-c2cnc(C(=O)NCCF)c(C)c2)c(OC)c1OC"]
["145835373","CN(CC(=O)O)C(=O)C1CCCN1c1ncnc2sccc12"]
["110910172","CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](NC([O-])=c4ccc(=C([N+]#N)C(F)(F)F)cc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C"]
["185462458","O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CBr"]
["55308916","COc1cc(C(C)NCc2cnn(C)c2)ccc1O"]
["59344206","CN(C)CCCN(C(=O)c1nnc2n1CCC2)c1nc2c(Cl)cccc2s1"]
["106889448","Cc1cc(Cl)ccc1-n1nnnc1[C@H]1C[C@H]1C(=O)O"]
["57242721","O=C(CSc1cccc(N=C(O)N2c3ccccc3SC3C=CC=CC32)c1)c1ccccc1"]
["57887091","OC(O)C1CCCS1"]
["160704279","CC(COC1CCCC1)CS(=O)(=O)N1CCCC1c1cnn(C)c1"]
["33943662","CN(C)S(=O)(=O)C(F)(F)c1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1"]
["48257807","OC(=Nc1ccccc1I)c1ccc(Br)nc1"]
["162668790","OC(CC1CC1)=Nc1cnns1"]
["MCULE-5144003210","COCCCN=C(O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)C1c1cccc(Cl)c1"]
["109818412","CC(C)(C)NC(=O)c1ccc(C(=O)N2CCC[C@H](C(O)=Nc3nccs3)C2)cc1"]
["109220121","COc1cc(-c2nc3s/c(=C/c4ccc(-c5cccc(Br)c5)o4)c(=O)n3n2)cc(OC)c1OC"]
["126334576","CC(CC(O)=NS(C)(=O)=O)Cc1cccc(F)c1"]
["MCULE-7720475798","COc1ccc(N=C(O)Cc2ccc(Br)cc2OC)cc1Br"]
["63066378","COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(S)=Nc2ccccc2Cl)cc1"]
["104995305","CCc1c(C)nn(C[C@H](N)C(C)(C)C)c1C"]
["81059487","OCCn1cc(C2NNC3CC(c4ccc(NC(O)=Nc5cccc(C(F)(F)F)c5)cc4)CCC32)cn1"]
["14197210","OC(=NCc1ccc(OC(F)F)cc1)[C@H]1CC=CCC1"]
["51949557","C=CCN1CC[C@@]2(c3cccc(OC(C)=O)c3)C[C@@H](N=C(O)C=Cc3cc(Br)cs3)CC[C@]2(OC)C1"]
["45532275","CC(C)(C)OC(=O)c1cnc(C(C(=O)O)C(=O)O)c(F)c1"]
["12947353","Cc1ccc(-n2nnnc2SCC(O)=Nc2ccccc2C)cc1C"]
["MCULE-1371650301","Cc1nn(CC(=O)N2CC3CC2CN3C(=O)OC(C)(C)C)c(C)c1-c1ccccc1C(F)(F)F"]
["166496261","COc1cc(Cl)c(F)c(C(O)=NC(c2ccncc2)C2CC2)c1"]
["31821144","O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(-c3ccccc3)cc2)c1"]
["96255785","N=c1cccc(OC2COC2)[nH]1"]
["182927752","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(OCC=Cc1ccccc1)C(F)(F)F"]
["114927876","Cc1cccc(C(N)Cc2cc(F)ccc2Cl)c1I"]
["102897931","CCC[C@H](C)c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]"]
["MCULE-6258565495","CN(C)CC(C)(C)CN=C(O)Cc1cc(F)cc(-c2ccccn2)c1"]
["150360885","Cc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)C2(CCOC(O)C2)N=C1O"]
["94300381","CC1(C)CCN(S(=O)(=O)c2cccc(N)c2[N+](=O)[O-])C1"]
["157553408","C[C@]1(N)CCCC[C@H]1C(O)=NCc1cccc(CN2CCCC2)c1"]
["58472792","CCc1cc(CN(CCO)C(CC)CC)n(CC)n1"]
["95580000","COc1ccc(C#N)cc1CNC(C)C(C)(C)C"]
["62077929","COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccc(Cl)cc1Cl.Cl"]
["196646896","CC1C=CC(C)N2CN1C(=O)c1c(O)c(=O)c(C(O)=NCc3ncc(F)c(Cl)c3F)cn12"]
["MCULE-2136560367","CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(O)=Nc2ccc(F)c(F)c2-c2ccc(OCC)c(F)c2)cc1"]
["104040608","C[C@@H](c1ccccc1)C1O[C@H](C)[C@@H](C)O1"]
["MCULE-1341434261","COCCN(C=C(C#N)C(=O)Nc1ccc(C)cc1)C1CCS(=O)(=O)C1"]
["46449846","O=[N+]([O-])c1ccc2oc3c(O)nncc3c2c1"]
["175636749","COc1ccc2c(c1)=N[N+]1(N=2)C(C)[C@@H]1C"]
["139937907","OC(=NCC1CCCOC1)NNc1cccnn1"]
["163172492","N#CCn1ccc2cccc(O)c21"]
["178036154","Fc1cnc2ccc(OC(c3ccccc3)c3ncco3)cc2c1"]
["13904847","COc1ccc(-c2ccc(=O)n(CC(O)=Nc3nc(-c4cccnc4)cs3)n2)cc1OC"]
["158693353","CS(=O)(=O)c1ccc(C(=O)N2CCC3(CCCCC3)C2)o1"]
["58648338","CCNC(CCn1ncc2ccccc21)C(=O)OCC"]
["54246614","C=C(C)C(=O)O.C=CC(=O)OCCc1ccccc1"]
["105448535","C[C@H](Cn1cccn1)NC[C@@H](O)c1cccc(Br)c1"]
["187110658","N[n+]1c(C#CCCO)ccc(Cl)c1Cl"]
["151982649","CCCCCCCCCCCCN1CCN(CC(O)=NN)CC1"]
["132623403","COC(=O)C1Cc2ccccc2CN1C(=O)c1ccncc1F"]
["126649876","CCC(CC)N=C(O)C(C)CSC"]
["MCULE-1861330447","Cc1cc(F)c(-c2ccc(C(=O)N(C)C)cc2)cc1N=C(O)c1nn(C)c2ccccc12"]
["160564957","CN(Cc1noc(C2CCCCC2)n1)C1(CO)CC1"]
["63966515","ClCCCc1nc(C2CCOCC2)no1"]
["118753608","CN=C(NCc1ccc(F)c(COC)c1)N1CCCC(C)C1"]
["7148199","CCN=C(O)N1[C@@H]2CCCC[C@H]2N=C(O)[C@@H]1CC(O)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1"]
["54380355","O=C1CCC2CN(C(=O)OCc3ccccc3)CC12"]
["171305325","CC(C)(C)c1cnc(CSc2cnc(N(Br)C(=O)C3CCNCC3)s2)o1"]
["186655529","O=C1c2ccccc2C(=O)C1CCCCBr"]
["109667667","CCCOc1ccc([C@H](C)N=C(O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)cc1OC"]
["157121534","CCN1CCC[C@H](N=C(O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1"]
["53891292","O=S(=O)(NC1CCC(O)CC1)c1cncc(Br)c1"]
["47860623","CC(C)n1nnnc1C1CCNC1"]
["173036110","C=CCc1c(C(C)C)ccc(Cl)c1Cl"]
["933628","Cc1ccc(C)n1-c1ccncc1"]
["195133810","CC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccccc1"]
["14823464","O=S(=O)(Nc1ccccc1Cn1cccn1)c1ccccc1-c1ccccc1"]
["163786920","CCc1nn(C)cc1CN1CC[C@H]2[C@@H](C1)N=C(O)N2CCOC"]
["158765225","COCCC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1"]
["126361812","Cc1cnn(CC2CN(C(O)=Nc3ccc(F)c(F)c3F)CCO2)c1"]
["170133469","Cc1noc(C)c1CC(=O)N1CCCN=C(O)c2csc(n2)[C@H](Cc2ccccc2)N=C(O)c2csc(n2)[C@H](CC(C)C)N=C(O)CCC1"]
["1754574","CC1=C(c2cccc(Cl)c2)[C@@H](N=C(O)c2cc(F)ccc2F)N=N1"]
["28358787","COc1cc(Cc2c[nH]c(=N)nc2N2CCN(C(C)O)CC2)cc(OC)c1OC"]
["65569777","C[C@@]1(Cc2ccc3c(c2)OCO3)N=C(O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O"]
["120344372","CC(C)C(CCO)N=C(O)[C@@H]1CCC[C@@H]1C(=O)O"]
["22742805","CCc1cccc(CC)c1N1C(=O)C2C(c3cccc(Oc4cccc(C(F)(F)F)c4)c3)NC(C(=O)O)(C(C)CC)C2C1=O"]
["108147493","COCCn1ccnc1C1CCN(C(=O)[C@H](C)Sc2ccc(C)cc2)CC1"]
["121429886","CC(C)OCCCN=C(O)c1cccc2c1OC(C)C(O)=N2"]
["173294077","C1=CC=CC(c2ccccc2)=CC=1.CC"]
["MCULE-8357940366","CON(C)C(=O)c1ccc(-c2cc(F)ccc2N=C(O)c2ccnc(C)c2)cc1"]
["175247112","O=C(O)C1(CCNC[C@H](O)c2ccccc2)CC=NCC1"]
["158828428","CC[C@H](C(=O)N1CCO[C@@H](CO)C1)N1CCCC1=O"]
["146696834","Cc1nnnn1C(Cc1ccc(F)cc1)C(O)=NCC(C)CC(=O)O"]
["MCULE-3502129429","Cc1cc(C)c(-n2nc(C(C)(C)C)c(C(=N)O)c2Br)cn1"]
["MCULE-6572219591","COc1cc(C)ccc1C(O)=Nc1cccc(C)c1-c1c[nH]nc1C"]
["13571401","C[C@@H](CC#N)N=C(O)COc1ccccc1Cl"]
["131094335","CC1CCCN(C(=O)C2CCC(N=C(O)C3CCCC3)CC2)CC1"]
["93684486","CCOC1(c2noc([C@@H](N)C(C)C)n2)CCC(C)(C)CC1"]
["MCULE-3533844349","COc1cc(NC(=O)c2cc(-c3cncc(C#N)c3)ccn2)ccn1"]
["110989950","O=C(OCc1ccccc1)[C@H]1C[C@H](C(=O)OCc2ccccc2)C1"]
["18842397","OC(=NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(c1ccccc1)c1ccccc1"]
["157276348","CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)cc1"]
["29080643","CC(=O)OC1(C(C)=O)CCC2=C(C1)C(=O)c1cc3ccccc3cc1C2=O"]
["85045996","COc1ccc(N=C(O)c2cc(F)ccc2O)cn1"]
["30946049","CN=C(O)[C@@H](NC(=O)c1ccc(-c2ccc(N=C(O)c3cc4ccccc4o3)cn2)o1)C1CCCCC1"]
["93595473","CC1CC(N)CCN1S(=O)(=O)c1ccc(F)cc1Cl"]
["MCULE-4893097672","CCCC(N=C(O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1)C(=O)N(C)CCC(=O)OCC"]
["MCULE-3159475338","CC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4cc(C)nn4C)CC3)cc2)c1"]
["92710957","CC#CCC(NN)C1COc2ccccc21"]
["142770197","Cc1cccc(C(C)N=C(O)N2CCN(Cc3c(C)nn(C)c3C)CC2)c1C"]
["11172662","CCN(CC)CC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1"]
["61892825","COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(CC(=O)O)cc2)c(OC)c1"]
["133509734","CC(CCOc1ccccc1)C(=O)N1CCCC(C)(O)C1"]
["125078164","CC(C(O)=NC(c1ccc(F)cc1)C(C)(C)C)c1cccnc1"]
["130024336","CC(C)N1CCC(N=C(O)N2CCC3OCCCC3C2)C1=O"]
["MCULE-6253118224","O=C1C(Nc2cc(Cl)cc(Cl)c2)=C(c2ccc(F)cc2F)C(=O)N1c1ccc2ccccc2c1"]
["153380690","O=C1C[C@H](N=C(O)CN2CCS(=O)(=O)C[C@H](N=C(O)c3ccc4ccccc4c3)C2=O)[C@H](O)O1"]
["165338938","CCCCN=C(O)C(Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O"]
["126317700","C=CCNS(=O)(=O)c1ccccc1C(=O)c1ccccc1"]
["MCULE-5438780102","Cc1ccc(-c2cn(C)nc2N=C(O)CCC(=O)c2ccccc2)cc1C"]
["149719981","CCC(N=C(O)OC(C)(C)C)C(=O)N1CCCC1c1ncc(-c2ccc(C#Cc3ccc(-c4cnc(C(C)N=C(O)C(N=C(O)OC(C)(C)C)c5ccccc5)[nH]4)cc3)cc2)[nH]1"]
["110195809","CN1C[C@@H](N=C(O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1=O"]
["186737242","CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccccc3C5(C)C)c3ccc4c(c3)C(C)(C)c3c5c(c6oc7ccccc7c6c3-4)-c3ccccc3C5(C)C)cccc21"]
["21674325","CC(C)(C)N=C(O)CNCc1cn(Cc2ccccc2)nc1-c1ccc[nH+]c1"]
["58425381","Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC(C3OCCO3)C2)cc1"]
["142765485","CN=C(O)c1cc(Cl)ccc1NC(=O)c1ccn(-c2c(F)cccc2F)n1"]
["4939307","COc1cc(CN(C)Cc2[nH+]c(-c3ccco3)no2)ccc1OC(F)F"]
["110236593","O=S(=O)(c1c(Br)cc(F)cc1Br)N1CCC[C@H](C2OCCO2)C1"]
["60432018","CCOC(=O)C(=O)N1CCN(C(=O)C=Cc2ccc(Sc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)CC1"]
["60645324","CCCCN(CC)C(=O)c1c(C)c(C(=O)OCC)n(Cc2ccccc2)c1C"]
["75288466","NC(=O)c1ccc(CNc2c(Nc3ccc4nc[nH]c4c3)c(=O)c2=O)cc1"]
["186832569","COc1cccc2c1ccc1c(/C=C/c3ccc([N+](=O)[O-])cc3)cc(=O)oc12"]
["MCULE-4019975192","Fc1cccc(Cn2ncc(C3CC3)c2Br)c1"]
["16216779","CCOc1ccc(N2C(=O)/C(=C\\c3cc(Cl)c(O)c(Cl)c3)C(O)=NC2=S)cc1"]
["129798442","COc1cc(C(O)=NCc2nc(C(C)C)cs2)ccc1[N+](=O)[O-]"]
["29629502","C[C@H](N)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(O)nc2=O)[C@H](O)[C@@H]1O.Cl"]
["188850296","Cc1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)c(=Nc3cc(N)ccc3F)[nH]2)sn1"]
["166189301","CCCn1c(=O)n(CCC(=O)N(C)CC)c2ccccc21"]
["117518491","COCCNS(=O)(=O)c1c(OC)cc(OC)cc1OC"]
["159361994","CN1CCO[C@@H](N(C)C)CC1"]
["92036977","CC(CCS(C)=O)Nc1ccnc2cc(Cl)ccc12"]
["188155964","CCCn1nc(-c2coc3ccccc23)c2cnc(C(=O)N3CCCCC3CC)cc21"]
["21066055","C[C@@H](C/C([O-])=C(/C#N)C(O)=NCc1ccccc1)C(C)(C)C"]
["97125080","CCCC/C=C/CC[N+](CCO)(CC(C)C(=O)[O-])CC(C)C(=O)O.CCCC/C=C/CC[N+](CCO)(CC(C)C(=O)[O-])CC(C)C(=O)O.[Ca+2]"]
["66994086","Cn1cc(C(CC(O)=NCCN2CCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21"]
["198098339","CNc1nnc(-c2ccccc2O)cc1N1CCN(c2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1"]
["200097589","[2H]C([2H])([2H])C([2H])([2H])c1nc2ccccc2n1-c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1"]
["149383052","COc1ccc(NC2=C(Cl)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)cc1OC"]
["122052448","Cc1ccc(CCCCC(=O)N2Cc3ccccc3CC2c2nnc(C)o2)cc1"]
["1767883","CCOC(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)nc1C"]
["13510313","COCC(O)=Nc1cccc(CN=C(O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1"]
["17117207","CCOc1ccccc1C[S@@](=O)[C@@H](C)C(O)=NCCc1ccccc1"]
["649308","O=C(CC(=O)C(F)(F)F)c1cccs1"]
["MCULE-3703122558","O=C(OCc1ccc(F)cc1Cl)c1c(F)ccc(Br)c1F"]
["79404823","CC(C)CC(C)C(=N)N"]
["MCULE-8401856474","Cc1ccc(-c2nc(Nc3ccc(F)c(Cl)c3)cc(N3CCN(C)CC3)n2)cc1"]
["50012285","O=CCCOc1cccc2cccnc12"]
["MCULE-2033915702","Cc1ccc(N=C(O)COc2cn(CC(C)O)c(CN3CCC(C)CC3)cc2=O)c(Cl)c1"]
["175354025","CCCCCC(C(=O)OCC)C(C)C(=O)OC(C)(C)C"]
["76791475","COC(=O)C12CCC3(C)CCC(C)(C)CC3C1=CCC1C3(C)CCC(=O)C(C)(C)C3CCC12C"]
["175688801","N=C(O)c1cccc2c1CCC2NS(=O)(=O)c1ccccc1"]
["98288477","CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)CCN(C)C"]
["26517426","C=C1C=C[C]2SNC(=N)C2=C1"]
["182752488","Cn1ccc2cc(-c3cc(O)c(C(=O)O)c(O)n3)ccc21"]
["135743026","CCN1CCN(S(=O)(=O)c2cc(F)c(F)c(C(=O)O)c2)CC1"]
["MCULE-5034751477","CCCC(=O)Nc1ccc(-c2ccc(OC)cc2F)cc1C(C)=O"]
["169693037","O=C1CN(C=Cc2ccccc2)C(=O)N1CC(O)COc1cccc2ccccc12"]
["182981461","CCCCCCCCCCOc1ccc(S)cc1-c1ccc(N=[N+]=[N-])cc1"]
["48070184","Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1"]
["MCULE-9731314648","COc1ccc(-c2ccc(CC(O)=Nc3ccccc3OC)c(F)c2)cn1"]
["11933020","CCN(C(O)=NCc1ccc(C(=O)NC2CC2)cc1)[C@H](C)c1ccc(F)cc1"]
["174472879","CC(C)CC1(C)NC(=N)N(CC2CCN(C(O)Nc3cccc(Br)c3)CC2)C1=O"]
["67425526","COC1O[C@@H]2[C@H](O1)[C@@H](n1cnc3c(N)nc(SC)nc31)O[C@H]2COP(=O)(O)CP(=O)(O)O"]
["MCULE-4518928196","COc1ncc(-c2cnn(C)c2NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)n1"]
["64263041","CP(=O)(O)OCCN=C(O)c1cc2ccccc2oc1=O"]
["175427820","Cc1ccc(OC(=O)Cc2ccccc2)[nH]1"]
["31626323","O=S(=O)(Nc1ccn2ncc(C(O)=NC3CCCCC3)c2n1)c1ccccc1C(F)(F)F"]
["194972393","COc1ccc(-c2oc3cc(O)c([C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)c(O)c3c(=O)c2[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1"]
["94458936","CCCCCCC(O)c1[nH]c(C)c(C)c1C"]
["56635916","CC12CC(Cc3ccccc31)N(C(=O)N1CCCCC1)C2"]
["63527179","OC(CCOc1cccc(Cl)c1)=NCc1cc[nH]n1"]
["156904420","Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(O)n1"]
["120925602","CC(N)CCN=c1ncc(C(C)C)c[nH]1"]
["16408005","Cc1oc2ncn(C)c(=O)c2c1C(=O)OCc1cccc([N+](=O)[O-])c1"]
["145075436","COc1cc(Br)cc(C(C)CO)c1OC1CCCC1"]
["106473186","COc1cccc([C@@H](CNCc2cc(OC)c3c(c2)OCO3)N2CCCC2)c1"]
["133199990","CC(C)(NC(=O)c1ccc(CNC(=N)O)cc1)c1cccc(Cl)c1F"]
["32719024","CC(C)(C)OC(O)=NC(CCCc1ccccn1)C(=O)O"]
["49269796","CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(O)=NCCN3CCCCCC3)c21"]
["49329756","CC1(C)OB(c2ccc(N3CCCC3)c(C#N)c2)OC1(C)C"]
["163338604","CC1(C)OB(c2cnc(OCCF)c(F)c2)OC1(C)C"]
["173949610","Cc1cc(NC2C=COC2=O)ccc1-c1ccccc1"]
["2433674","CCC(CC)C(=O)N1CC(O)=Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1"]
["132204190","CCc1cnc(CN(C)C(=O)C(O)=Nc2cc(C3CCCCC3)nn2C)s1"]
["MCULE-9852126205","COc1ccc(-c2ccccc2CN(C)C)cc1N=C(O)c1cc(F)c(F)c(OC)c1F"]
["134168397","COC(=O)c1coc(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)c1"]
["147560106","O=C(c1ccccn1)N1C2CCC1CC(n1nccn1)C2"]
["1105025","[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O"]
["20957495","O=C(NN=C(O)CCn1c(S)nc2ccccc2c1=O)c1ccc(Cl)cc1"]
["76326663","CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(F)C4=C(F)C(=O)C=CC4(C)C3(F)C(O)CC12C"]
["88299787","CCC1N=C(O)CCN(c2ccc(C(F)(F)F)nc2)C1=O"]
["198375576","C=C/C=C\\C(=NC=C)C(C)(C)CCC"]
["MCULE-4792864006","COc1cc(-c2c(C)noc2C)ccc1CC(O)=Nc1ccc2c(c1)OCCO2"]
["6957393","CCC[C@H](Cc1ccccc1)N=C(O)NN=C(O)[C@@H]1CCCO1"]
["162165508","O=C1CCCCCC2(CC2)C1"]
["102567635","CCCCN=C(O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O"]
["83220360","Cc1c(/N=C/c2ccccc2C(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Na+]"]
["45524514","COC(O)C(=C(O)C(C)Oc1ccc(O)cc1)C(C)O"]
["32792161","CSc1ccc(Br)c(C)c1-c1cc(C)on1"]
["148047668","CCCC(C)(N)C(O)=NCC(C)(C)N"]
["26471381","Cc1nccnc1OCc1ccccc1"]
["114236440","CC1CN(S(=O)(=O)c2ccc(F)c(N)c2F)CC1C"]
["140155214","CCC(c1ccccc1)c1n[nH]c(=NC(O)=NCc2nc(C)cs2)s1"]
["85200128","CCCC1(CCC)CN(CC(=O)O)C1"]
["54594221","CCOC(=O)CN(CC(=O)OCC)S(=O)(=O)Cl"]
["4209745","COc1ccc(C)cc1N=C(O)[C@H]1CC(O)=Nc2nc(Nc3ccc(F)cc3)nc(O)c21"]
["6545022","CCN(CC)c1ccc(NC(=S)N=C(O)c2cccc(OCc3ccccc3)c2)cc1C"]
["97919365","CO[C@]12CCC(C(C)(C)OCCO)[C@@]1(C)[C@H](ON)CC1C2C[C@@H](O)[C@]23CC2CC[C@]13C"]
["166193554","COCc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1"]
["78960293","CCOC(O)=NCF"]
["111219374","CNC(Cc1cccc(Cl)c1F)CN(C)C"]
["MCULE-7970747009","N#Cc1cnn(Cc2ccc(O)cc2Cl)c1N"]
["156816564","C[C@@H](N)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1"]
["85871100","CCCCn1c(C(C)Cl)nc2cc(Cl)c(Cl)cc21"]
["174050688","c1ccc(CCC(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1"]
["4037597","Cc1cc(NC(=O)CCCSc2ccc(Cl)cc2)n(C(C)C)n1"]
["20808388","Cc1cccc(C(=O)N2C[C@H](CN3CCc4ccccc4C3)[C@@H](c3ccccc3)C2)c1"]
["127075996","CCOC(C(=O)N1CCN(C(C)CC(=O)OC)CC1)c1ccccc1"]
["28392522","CCOC(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1"]
["7843884","O=C(c1nn(CCCc2cccnc2)c2c1CN(C(=O)c1n[nH]c3ccccc13)CC2)N1CCCCC1"]
["56793588","FC(F)(F)Oc1cccc(CNCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c1"]
["175660473","COC(=O)c1cnc(Nc2cc(Cl)ncn2)s1"]
["134113171","CC(C)CN(CCN(C)C)C(O)=NC(C)C(=O)N1CCCCC1C"]
["181470201","Cc1ccc2c(n1)=CC1=CC=CC(Cc3ccncc3)C=21"]
["97256987","CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C"]
["MCULE-5044971169","Cc1ccsc1-c1cnc(N=C(O)CC2OC(=O)c3ccccc32)cn1"]
["184305359","C[C@@H](CNCc1ccc(-n2cc3cc(S(C)(C)C)[nH]c3nc2=O)cc1)CNC(=N)N"]
["93288278","O=Cc1cc(F)cc(OCc2cncc(Br)c2)c1"]
["MCULE-2718051642","Cc1cccc(N=C(O)c2ccc3nccn3c2)c1-c1cccc(C(=O)N2CCOCC2)c1"]
["169909880","CC(C)(CN=c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)O)n[nH]1)c1ccc(F)cc1"]
["94332286","CCCCCC(N)Cc1cc(CC)nn1CC"]
["25108508","CC(=Cc1ccc(C(=O)OC(C)C)cc1)c1cc2c(cc1CC(C)C)C(C)(C)CC2(C)C"]
["141564139","CC(C)c1nc(C2CCCN2C(O)=Nc2ccc(Cl)c([N+](=O)[O-])c2)no1"]
["175687041","CC(C)C(C)(C)c1ccnc(-c2ccccc2)c1"]
["137120480","O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1"]
["MCULE-7665849026","OC(CCNCc1ccsc1)=NCCc1nc2ccc(F)cc2[nH]1"]
["121896139","CCc1nccn1C1CCCN(C(C)C(O)=Nc2ccc(F)c(F)c2)C1"]
["136521748","CCOc1ccc(C(F)(F)F)cc1N=C(O)C1=COCCO1"]
["MCULE-1931779515","CNC(=O)c1ccc(-c2cnc(N=C(O)COc3ccccc3)nc2)cc1"]
["47488528","Cc1ccc(CCC2CCN(C(=O)CCCN=C(O)c3ccsc3)CC2)cc1"]
["10410657","CCOC(=O)C[C@@H](N=C(O)c1sc2ccccc2c1Cl)c1cccc(OC)c1"]
["53819596","CC(C)OCC(O)CN(CC(=O)O)CC(=O)O"]
["MCULE-1850740647","COc1ccc(CN(C)CC(C)(C)O)cc1OC(C)=O"]
["34055860","O=C(/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)c(O)c1"]
["83094258","O=C1N=NC=C2N=C(N3CCCCCC3)N=C(Nc3ccc(N4CCN(CCF)CC4)cc3)C12"]
["167614944","CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCC(C)C)COP(=O)(O)OCCN=C([O-])CCCCCCC/C=C\\C/C=C\\CCCCC"]
["193353683","C=CC(O)=Nc1ccccc1-c1cnc2[nH]cc(C)c2c1.C=CC(O)=Nc1ccccc1B1OC(C)(C)C(C)(C)O1.Cc1c[nH]c2ncc(Br)cc12"]
["MCULE-2955267002","COc1ccncc1-c1cccc(CC(O)=NC2CCN(C)CC2)c1F"]
["MCULE-2115408753","COc1ncc(-c2cccc(C)c2N=C(O)C2CCC(=O)CC2)cn1"]
["165256036","Cc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(Br)cc3)c2-c2ccc(Cl)cc2)cc1"]
["143742951","Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1-n1cncn1"]
["189336754","ON=C(O)COc1cccc(CNCCc2c[nH]c3ccccc23)c1"]
["106536525","C[C@@H]1CN(c2ccc(NC(O)=NC3CCN(Cc4ccccc4)CC3)cc2F)C[C@@H](C)O1"]
["15472055","COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)o1"]
["164803229","CCC(C(O)=NC(CC(C)C)c1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O"]
["76150167","O=C([O-])NN[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OCc1ccccc1"]
["MCULE-5788804448","CCCOc1ccccc1C1C(C(O)=NCC2CCCO2)=C(N)Oc2c1c(CC)nn2Cc1ccc(F)cc1"]
["81860359","C[Si]1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cn3ccccc3n2)cc1"]
["52737779","CC(Cl)CCNCCN1CCOCC1"]
["MCULE-5858589654","Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)NC(=O)c3cc(-c4cccnc4)[nH]n3)cc2)n1"]
["MCULE-2500053711","CCCOC(=O)c1ccc(CNC2=C(c3cccnc3)C(=O)N(CCCn3ccnc3)C2=O)cc1"]
["60632822","CCOc1ccccc1OCCCCCCNCC(C)C"]
["3117635","CCOC(=O)CCN(C(=O)CCC1CCCCC1)[C@@H](C)c1ccccc1"]
["112819964","Cc1cc(Br)c(N)cc1S(=O)(=O)NCCC1CCOC1"]
["62639516","Cc1sc2ncn(N=C(O)/C=C/c3ccccc3OC(F)F)c(=O)c2c1-c1ccccc1"]
["32420003","CCC[C@H](C[C@@H]1CC[C@H]([C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H]2CC[C@H]([C@@H](C)C(=O)Cl)O2)O1)N(C)C"]
["14514156","COc1ccc(N(C)CCC(O)=N[C@H](C)c2ccccc2)cc1OC"]
["183216122","CCCCC1(c2nc(CO)cs2)CCN(C(=O)OC(C)(C)C)CC1"]
["177555151","C[C@@H](N)c1sc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)cc1I"]
["83718441","CC(=NNc1nc(SCC(O)=Nc2ccccn2)n[nH]1)c1ccccc1"]
["117199336","Cc1ccc(C2CN(C(=O)COc3ccccc3)CCO2)cc1"]
["73925376","COc1c(CCCS(=O)(=O)CCCl)cc(C(=N)O)c(CCCS(=O)(=O)CCCl)c1N"]
["17473043","C=C(C)[C@H]1N(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3"]
["99696936","CC(=O)OCCC/C(C)=N/NC(C)(C)C.CC(=O)OCCCC(C)(Cl)N=NC(C)(C)C"]
["123686012","CC(C)Oc1ccc(F)cc1NC(O)=NCCCc1ccccn1"]
["MCULE-4629057417","CN=C(O)c1cccc(-c2c(C)nn(CC(O)=Nc3ncncc3C#N)c2C)c1"]
["164042914","C=CC(O)=Nc1cc(N=C(N=C)N/C(=C\\C)n2cnc3ccccc32)c(OC)cc1N(C)CCN(C)C"]
["124657456","OC(CCc1nc[nH]n1)=NCc1ccc(F)cc1Br"]
["21852491","N=C(O)[C@@H]1CCCCN1CC(O)=Nc1ccccc1[N+](=O)[O-]"]
["26045796","CCOC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)C(C)=O"]
["95729397","CN=c1nc(Oc2ccc(Cl)c(Cl)c2)c2nc[nH]c2[nH]1"]
["175370839","CC(=O)OC(COCCN(C)c1ccc(Cl)c(CN2CCOCC2)c1)C(=O)OC(C)(C)C"]
["142843975","CCCN=C(O)C1CCN(C(O)=NCCN2CCOC(C)(C)C2)CC1"]
["MCULE-6893946110","CCCCc1cc(=O)oc2c(C)c(OC(C)C(O)=Nc3cc(C)cc(C)c3)ccc12"]
["98052873","CN(C)C(=O)c1ccc(-c2cncc(-c3nnc(-c4cccnc4O)o3)n2)cc1"]
["56387278","CCN(c1ccc2cc(N)ccc2n1)C1CCCC1"]
["137832169","CC1(C)CC(=O)c2cc(-c3nc(-c4cnccn4)no3)c(O)nc2C1"]
["110643920","CN(C)c1ccc(NC(O)=N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1"]
["54254580","O=[N+]([O-])c1ccc(O)c(N=C(S)N=C(O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1"]
["174526251","CN1CCN(C(=O)c2cc(Br)c3c(c2)N=C(O)C3NN=C(O)Cc2ccc(F)c(C#N)c2)CC1"]
["194127546","CCN1CCN(c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1.Cl"]
["176083920","CC(C)C.CC(C)c1nc(C(C)(C)C)nc(=Nc2cccc(N)c2)[nH]1"]
["166351557","Cc1ccc(Cl)c(OC(C)C(O)=Nc2c(C)cccc2C)c1"]
["183537599","O=C(N1CCCCC1)N1N=CCC1c1ccccc1"]
["154725821","CCC(O)=Nc1ccc2cccc(O)c2c1"]
["164410998","COc1ccc2c(c1)CCc1cc(CCC(O)=NCCc3cccs3)n(CCc3cccc(F)c3)c1-2"]
["MCULE-4936597254","COc1cc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c(-c2ccnn2C(C)C)cc1OC"]
["150353314","CC=C(C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1"]
["MCULE-2260274255","O=[N+]([O-])c1cnccc1-n1nc(C2CNC2)c(Cl)c1Br"]
["90398481","SC(=NCc1ccc2c(c1)OCO2)N(Cc1cccs1)CC1CCCO1"]
["89584718","O=C(O)CC1CCN1CCCC1CS(=O)(=O)C1"]
["1762544","O=S(=O)(NNc1cc(C(F)(F)F)ccc1Br)c1ccccc1"]
["162880513","O=C(O)c1cc(Br)c2ccsc2c1O"]
["168636078","C=NC=N/C=C(\\C)c1ccc2[nH]nc(-c3nc4c(-c5cccc(F)c5)nccc4[nH]3)c2c1F"]
["MCULE-6691703782","CC(C)OCCCN=C(O)C(Cc1ccc(F)cc1)N=C(O)CCN1C(=O)c2ccccc2C1=O"]
["42181003","Cc1ccc(C(=O)Nc2cccc(CN=C(O)c3cc([N+](=O)[O-])ccc3Cl)c2)cc1"]
["161221799","c1ccc(-c2ccc(C3NC(c4cccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8Oc8ccccc86)c6ccccc6-7)cc5)c4)=NC(c4ccccc4)N3)cc2)cc1"]
["139028137","CC(=O)N1CCC(CN(C)CC(O)COCc2ccccc2F)C1"]
["199412257","c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4c5c(ccc43)C3c4ccccc4C5c4ccccc43)n2)cc1.c1ccc2c(c1)C1c3ccccc3C2c2c1ccc1c2c2ccccc2n1-c1nc(-c2cccc3oc4ccccc4c23)nc(-c2cccc3oc4ccccc4c23)n1"]
["MCULE-4659923556","CC(C)Oc1cccc(-c2cncc(CN=C(O)C3CCCc4ccccc43)c2)c1"]
["21828677","Cn1c(=O)n(CC(O)=NC[C@H](c2cccs2)N2CCCC2)c2ccccc21"]
["10383466","COC(=O)c1ccc(=NCC(C)(C)NS(C)(=O)=O)[nH]n1"]
["95261587","Cc1ccccc1C(C)NCC1(N(C)C)CCC1"]
["135243823","COC(CN=C(O)C=Cc1ccnc(Cl)c1)c1ccccc1"]
["194058362","CC1CCN(c2nc3c(s2)CCN(CCC2CCC(CC(=O)c4cccc5ncccc45)CC2)C3)C1"]
["173564670","CN1CCN(Cc2cccc(N3CC[C@H](OC(=O)N4CC[C@@H](N=C(O)c5cc(-c6cnn(C)c6)cnc5N)C4)C3)c2)CC1"]
["21668635","COCCn1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)n1"]
["62807692","CCCC1(C(O)=NCCCc2ccccc2)CCNCC1"]
["158354815","O=C(OC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCOC2)N1CCOCC1"]
["86982966","CCCC1CCN(C(=O)c2ccc(C)c(Br)c2)CC1"]
["848988","CC(=O)c1cccc(N=C(O)N2CCC(c3ccc(C)cc3)C2)c1"]
["1124857","CCOc1ccccc1CN=C(NO)c1ccnc(Oc2cccc(F)c2)c1"]
["6060759","O=C(NC[C@H](O)c1ccc(F)cc1)C(=O)N1CCc2ccc(Cl)cc21"]
["114188864","OC(=NCC1CCSC1)C1CC2CCC1N2"]
["87070396","CN(Cc1cc(N)cc(Br)c1)Cc1ccccn1"]
["101658853","COc1nccc(-c2nc3cc(C(O)=NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)c1F"]
["43223054","Cc1cc(Br)ccc1OCc1ccc(CN)cc1"]
["91594758","O=[N+]([O-])c1ccc(C=CCNCc2ccccc2)cc1"]
["61131260","CCN=C(O)N1CCCC(c2cccc(C(O)=NC3CC3)c2)C1"]
["172894019","CCCCCC1CCC(c2ccc(C#Cc3cc(F)c(C(F)(F)Oc4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)CC1"]
["150165369","CC1C=C(C(O)(C(=O)OC2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2cccs2)SC1"]
["MCULE-7799719932","O=C(c1cc(-c2cncc(F)c2)ccc1F)N1CCC(C(F)(F)F)CC1"]
["152486244","C#CCOc1ccc(/C=c2\\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br"]
["132387601","CCOc1ccc(NC(=O)C(C#N)=Cc2ccccc2C#N)cc1"]
["125721785","CN(C(=O)c1ccc(N=C(O)NC2(CO)CCC2)cc1Cl)C1CCCCC1"]
["148894937","CC(C)S(=O)(=O)c1ccc(CC(O)=Nc2cnc(N3CCN(C)CC3)nc2)cc1"]
["122893351","Cc1nn(C)c(C)c1OC(=O)CN(Cc1ccccc1)Cc1ccccc1"]
["148575599","Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1ccc(C[C@H](N=C(O)[C@H]2CC[C@H](CNC(=O)O)CC2)C(O)=Nc2ccc3nc(O)[nH]c3c2)cc1"]
["150003712","O=C1OCC=CCCCC/C(NOCC(=O)N2CCCCC2)=C/c2cc(O)cc(O)c21"]
["142890321","CCC(C)(C)N=C(O)c1ccccc1OCC1CC1"]
["22510488","Cc1ccc(N=C(O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c(Cl)c1"]
["173551757","O=c1ccn(C2OC(COP(O)O)C(O)C2O)c(=O)n1Cc1cc(C2CCCCC2)ccn1"]
["132485741","CC(O)CN1CCN(C(O)=Nc2cc(Cl)cc3c2OCC3)CC1C"]
["144183214","CCCCc1nc(CS(=O)(=O)Cc2cc(F)cc3c2OCOC3)no1"]
["140306292","COc1cc(OC)cc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C)c1"]
["11851134","Cc1ccc(OCc2cc(C(=O)N3CCCN(Cc4cccc[nH+]4)CC3)no2)cc1C"]
["98987507","COC(=O)c1ccc2c(c1)CC[C@@H]1CN(Cc3cnccc3-c3ccc(Cl)cc3)CCN21"]
["MCULE-5299123523","O=C(O)Cc1ccc(N=C(O)N=C(O)c2ccc([N+](=O)[O-])cc2)cc1"]
["161484594","CN(C(=O)O)C1CN(c2cc(F)c(CCN)cc2F)CC1F"]
["MCULE-5396406602","CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(O)cc3O)n2)cc1"]
["128451386","Cc1ccc(CN2CCOCC2)cc1N=C(O)CSCCC(C)C"]
["193878434","CN1CCN(C)C(F)(F)C1F.[K+].[O-]B(O)O"]
["3361666","CCCCSc1nnc2c(n1)O[C@H](c1c(OC)cc(OC)cc1OC)Nc1ccccc1-2"]
["MCULE-8185449393","COC(=O)c1ccc(NC(O)=NS(=O)(=O)c2ccc(CCN=C(O)Cc3cccs3)cc2)cc1"]
["161033121","O=S(=O)(CC1CCCCC1(F)F)NC1CCCCNC1"]
["195809675","CC(=O)O[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]4[C@H](C)[C@@]5(CCC(C)CO5)O[C@@]4(N)C[C@@H]32)C[C@H]1O"]
["170036475","C=CS(=O)(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(O)=N[C@H](C#N)CC)C2(C)C)C(C)(C)C"]
["125800147","CCOC(=O)Cc1csc(NC(O)=NC2CC(C)CC(C)C2)n1"]
["92083913","COCCNS(=O)(=O)NCC1=CCNCC1"]
["1066020","O=[N+]([O-])c1ccc(N/N=C(\\CCl)c2ccccc2)c([N+](=O)[O-])c1"]
["MCULE-2344370002","COCOc1ccc(F)cc1-c1ccc2c(c1)nc(O)n2C"]
["119496379","CCN(c1nccc(N2CCN(C=O)CC2)n1)C1CCS(=O)(=O)C1"]
["42214170","CC(C)[C@@H]1CN(c2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)CCO1"]
["110733474","O=C(/C=C\\c1cnc2ccc(Br)cn12)c1cccc(Cl)c1"]
["45282184","Clc1cccc(Cl)c1COc1ccc2ccccc2c1CNc1nccs1"]
["160930143","CC(C)N1CC(=O)N(c2ccc3c(n2)CCC3)C1=O"]
["130865997","CC(C)c1nnc(CCC(O)=NCCOc2ccc(C(F)(F)F)cc2)o1"]
["178013915","COc1cc(C)ccc1OC(=O)N(CC#CC1NC(C(=O)N(C)C2CC2)=C(N(C=O)C2CC2)N1)C1CCC1"]
["171269678","Cl.N[C@@H](c1ccc(Cl)c(F)c1)[C@H](O)Cc1ccccc1"]
["154207269","CC/C=C/C/C=C\\CC/C=C\\CCCCCCCCC(=O)O"]
["136455231","CCc1ccc(CC(=O)N(C)CC(=O)OC(C)(C)C)cc1"]
["103751810","O=C1COc2ccc(Cl)cc2N1CC(O)=N[C@H](c1cccs1)C1CCCC1"]
["8619565","CCc1ccccc1N=C(O)CN1C(=O)[C@](C)(c2ccc(Cl)cc2)N=C1O"]
["2414133","CCc1cc(O)nc(SCC(O)=Nc2cccc(C(=O)OC)c2)n1"]
["175096969","CC(=O)OC(C#N)CCCCCCOP(C)(=O)OCCCCCCC(C#N)OC(C)=O"]
["52700944","CCCC1N=C(O)C(CC)N(C(C)c2ccc(Cl)s2)C1=O"]
["79491820","CCCCCCCCCCCCCCOP(=O)(OCC[PH](C)(C)C)N(CCC)CCCCCCCCCCCCCC"]
["120391592","CCCC1(CNCC2CCCC(F)(F)C2)CC1"]
["118182490","CC(O)CCN=C(O)C(Sc1ccccc1)c1ccccc1"]
["16278556","CCOCc1ccccc1C[NH2+]Cc1ccc(F)c(C)c1"]
["68661899","Oc1nc(C2=NCCCC2)nc2c1CN(Cc1nc3ccccc3o1)CC2"]
["162621031","NC1CCN(C2CC3CC3C2)CC1"]
["124434654","COCC(C)n1c(C)cc(C=C(C#N)C(=O)OCCN2CCSCC2)c1C"]
["178079195","O=[N+]([O-])c1ccc(-c2c[nH]nc2C(F)(F)F)cc1"]
["MCULE-3937108591","COc1cccc(-c2ccc(SCC(O)=Nc3cnns3)cc2)n1"]
["111504941","O=C(c1cncs1)c1cccc2ccncc12"]
["131940608","COCCCC(O)=NCC1(O)CCSC1"]
["293504","OC(=NCCN1CCCCC1)c1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1"]
["97460521","Oc1ccccc1C1=NCCN=C1c1ccccc1O"]
["46059753","CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)CC1"]
["51194149","CCOC(=O)c1ccc(CC(C)c2c[n+](CCCCCCCCCCCC[n+]3csc(C(C)Cc4ccc(C(=O)OCC)cc4)c3)cs2)cc1.[Br-].[Br-]"]
["75116803","CCCCOC(=O)N1CC(c2ccc(NC(=O)C3CCN(c4cccnn4)C3)cc2)C1"]
["122862604","Cc1nnc(SCC(O)=Nc2cc(F)ccc2F)n1C1CCCC(C)C1"]
["175409961","CCOC(=O)Cc1ccc(C(C)(C)O)cc1O"]
["153364687","C[C@@H]1CCSSS1"]
["58862700","COc1cc(C)c(Cl)cc1I"]
["19069023","CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)[NH+]3C(C)=[OH+])cc1.[H+]"]
["152794220","CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1"]
["MCULE-6146438332","Cc1c(F)cc(F)cc1Cn1cc(CC(C)C)cn1"]
["126125594","CC(C)N(Cc1ccccc1)C(=O)CS(=O)c1ccc(C(F)(F)F)cn1"]
["153305944","Cc1cccc([C@@H]2C[C@H]2c2ccccc2CCC(=O)O)c1OCc1ccccc1"]
["80105392","OC1=NC(CC2(c3ccccc3)OCCO2)CC=C1"]
["168920716","CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1.CN1[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2"]
["54871492","C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(CCO)nn2)O[C@]12C(=O)N(C)c1ccc(N3CCNCC3=O)cc12"]
["168739348","Bc1ccc(F)c([C@@](C)(N)Cn2nncc2C(N=O)OC)c1"]
["MCULE-7381602904","COc1ccccc1-c1ccc(CC(O)=Nc2ccccc2C(F)(F)F)nc1"]
["143787956","CCOc1ccccc1CN=C(O)N1CCN(C(C)c2nc(CC)no2)CC1"]
["112761859","CSC1CCCC(N=c2ccc3cc(N)ccc3[nH]2)C1"]
["97637002","CC(=O)C[C@@H](O[C@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C)/C(C)=C/[C@@H](C)S(C)(=O)=O"]
["186986653","CC(C)OC(=O)OCN1N=C(Oc2c(Cl)cc(-n3nc(C#N)c(O)nc3=O)cc2Cl)C=C(C(C)C)C1O"]
["MCULE-8836707156","O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC(O)=NCc2cccnc2)cc1"]
["MCULE-6433310864","CCOC(=O)c1cnn(-c2c(C)ccnc2C2CC2)c1Cl"]
["5212708","O=C(CCc1cccnc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1c(F)cccc1Cl"]
["196044855","CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC(=O)OC(COC(=O)CCCCCCC)COC(OCC[N+](C)(C)C)C(=O)O"]
["MCULE-3988450895","CCc1ccc(-c2cc(C)cc(C(O)=NC3CN4CCC3CC4)c2)cc1"]
["MCULE-1754031887","COc1ncc(-c2ccccc2CN(C)C(=O)c2ccc(CN3CCOCC3)cc2)c(OC)n1"]
["MCULE-2513636080","CCOc1ccc(C=Nn2c(SCC(O)=Nc3ccccc3CC)nnc2C(C)(C)C)cc1OC"]
["2552767","C[C@H](N=C(O)c1cccc(-n2cnnn2)c1)C(=O)N1CCOCC1"]
["MCULE-5183272546","c1ccc(Cc2nc(Nc3cccc4ccccc34)cc(N3CC(c4ccccc4)Cc4ccccc43)n2)cc1"]
["102420670","Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C(S)N2c2ccccc2O)cc1"]
["57460079","CCCC1CCC(N=C(O)CCC2=N/C(=C3\\C=CC(=O)C=N3)NO2)=C(C(=O)O)C1"]
["6495536","C#CCN=C(O)CN=C(O)CCCc1ccc2c(c1)-c1ccccc1C2"]
["14995696","O=C(NCCN1CCOCC1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1"]
["136633787","Cc1ccc(CN(Cc2cccnc2)Cc2ccco2)c(C)n1"]
["113402851","Cc1ccc(C(=O)N(CC#N)C2CCCC2)c(Cl)c1"]
["65899174","CCOC(=N)c1ccc(OC)c(OC(F)F)c1"]
["149315133","CCOc1ccc(C2=C(O)C(=O)N(c3ccc(Br)c(C)c3)C2c2ccc(O)cc2)cc1"]
["MCULE-7155838068","COc1cc(C)nc(NC(=O)c2ccc(C(F)(F)F)cc2-c2ccc(F)cc2OC)n1"]
["127269448","O=C(Nc1cncc(Br)c1)c1nc2ncc(Br)cn2n1"]
["84174657","COC(=O)CSCc1cccc(OC)c1"]
["190956834","C=C1Nc2cc3cc4ccccc4cc3cc2C1=O"]
["42075259","O=C(OCC1CSC2(CCCCC2)O1)c1ccccc1O"]
["139759351","COc1ccc(F)cc1C(=O)N1CC[C@@H](N=C(O)OC(C)(C)C)C1"]
["MCULE-2560339395","CSCCCNC(=O)c1cc2cc(-c3cccc(C(F)(F)F)c3)ccc2oc1=O"]
["140769115","CCC(NCc1ccc(OC)cc1)c1nccn1C"]
["MCULE-5566696000","CNCCC1CC1c1cnn(C(C)C)c1"]
["MCULE-8311572584","CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn(-c2ccnc(C3CC3)c2)c1N"]
["12698694","C[C@@H]1C[C@H](C)CN(CC[NH+]=C(O)/C=C\\c2cn(C)c(=O)n(C)c2=O)C1"]
["11755473","CCCC(O)=Nc1ccc(Cl)c(N=C(O)c2ccccc2OCCC(C)C)c1"]
["58292299","CCSc1ccc(Cc2n[nH]c(=NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1"]
["78757617","COc1c(F)cc(-c2ccn(CC[C@](C)(C(O)=NO)S(C)(=O)=O)c(=O)c2)cc1F"]
["119594873","COc1cccc(Nc2ccc(NC(=O)c3ccccc3)cc2)c1"]
["63041712","COC(=O)C1(CN)CC2(CCC2)C1"]
["99075947","CCCCCCCCC=CCCCCCCCC(=O)O[C@H](COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C"]
["95830617","CCCC(OCC)C(N)c1sccc1Br"]
["54663427","Cc1cc[nH]c(=N)c1C(=O)C(C)C"]
["147120330","CCc1ccc(CCC(=O)N2CCNCC2c2cccnc2)cc1"]
["MCULE-3635155368","Cc1ccc(-c2ccc(F)nc2C)c(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1"]
["170199957","C=CC(=O)Nc1ccc(-c2cc(CC[C@H](C)C(C)(C)O)sn2)cc1"]
["172062161","Cc1ccc(Sc2ccc(C)cc2-c2ccc(Sc3ccc(C(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1"]
["90611399","C#CC1C2OC2(C(C)=O)c2ccccc2N1C(=O)Oc1ccccc1"]
["106565550","COc1ccc(C(=O)N[C@H](C(O)=NCCOc2cccc(Br)c2)C(C)C)cc1"]
["150118934","Cc1ccc2ccc3c4cccc(C)c4ccc3c2c1"]
["MCULE-1868018042","Cc1ccc(-c2cccnc2C(=O)OC(C)(C)C)c(F)c1F"]
["9178225","C/C(=N\\Nc1nc(S[C@@H](C)c2nnc(C3CCC3)o2)n[nH]1)c1ccc([N+](=O)[O-])cc1"]
["197301898","COC(=O)CCC(N)C1CC2CCC1O2"]
["144538838","CCCC(=O)N1CSCC1C(O)=NC1CCc2c(Cl)cccc21"]
["171086025","O=C1N=C(O)C(=Cc2ccc(C(=O)NCc3ccccc3C(F)(F)F)cc2)S1"]
["139962475","CC(C(=O)N(C)C(C)c1cccc(Cl)c1)C1CC1"]
["95002396","COC(=O)CCNCc1cc(C(=O)O)co1"]
["76737434","CC1NC2CCCC3C(=O)N(CCCCNS(=O)(=O)C(F)(F)F)C(=O)C1N23.Cl"]
["134502974","CC(C)CCCN=C(O)NCc1cccc(CN2CCCC2=O)c1"]
["166884305","CCC[C@H]1COC[C@H]2CN(C(=O)c3cncc(C)c3)CCN12"]
["61925265","CC(N=C(O)C(CCCNC(=N)N)N=C(O)C(N)Cc1ccccc1)C(=O)O"]
["MCULE-5096287413","COc1cc(-c2cnc(OC)c(C(=O)N3C4CCC3CC(=O)C4)c2)ccc1C"]
["163935167","COc1cc(O)c(OC)c(OS(=O)(=O)c2ccccc2)c1"]
["199214116","CC(C)(C)OC(=O)C[N+](C)(CCCC(=O)OCc1ccccc1)CC1CN(C(=O)OC(C)(C)C)C1"]
["49197652","Cc1ccc(C(N)CN)c(O)c1"]
["60352572","COc1ccc([C@@H]2NC3=C(CCC3)[C@@]3(C#N)C4(NC(=N)[C@@]23C#N)OCCO4)cc1"]
["MCULE-4673455501","OC1=Nc2cc(Cl)cc(N=C(O)CC(c3ccccc3)c3ccccc3)c2OC1"]
["MCULE-8869843562","NCc1c(-c2ccccc2)nn(-c2cc(C3CCC3)ccn2)c1Cl"]
["43266867","CCOc1ccccc1C(=O)N(CCCl)C(CC)CC"]
["191608573","CCN(N)c1ccc(O)cc1"]
["MCULE-8696628759","COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5c(c4)C(=O)N=C5O)c(C)c3)CC2)cc1"]
["175033554","CON=CC(F)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C"]
["143564249","NS(=O)(=O)c1cc(F)cc(N=C(O)NC2(Cc3ccccc3)CCCC2)c1"]
["154134001","Cc1ccc(Cc2ccccc2C(O)=N[C@H]2C[C@@H](c3cc(O)ncn3)C2)cc1"]
["96015618","Cc1ccc(CN[C@@H](C)CO)cc1[N+](=O)[O-]"]
["86010024","OC(=Nc1ccc(Br)cc1C(F)(F)F)c1cnn[nH]1"]
["95229198","CCn1c(CBr)nnc1-c1ccc(Br)cc1Cl"]
["49554456","CC=C(C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1"]
["74837786","Cc1ccc(N2CCC(CCC#N)CC2)nc1"]
["10191664","C/C(=C/C(O)=N[C@]1(C)CCS(=O)(=O)C1)c1ccc(F)cc1"]
["195219619","Cc1[nH]n(-c2nc(-c3ccccc3O)cs2)c(=O)c1C(c1ccc(Br)cc1)c1c(C)[nH]n(-c2nc(-c3ccccc3O)cs2)c1=O.Cl"]
["43811448","CCCCN(CC(O)c1ccc(Cl)cc1)c1ccccc1.Cl"]
["158613982","Cc1nc(N(C)[C@@H]2CCOC2)c2cnn(C)c2n1"]
["86773461","CCNC(c1cc2c(s1)CCSC2)c1cc(C)oc1C"]
["66144617","CN(C)CCN(C)C(O)=NC(CCO)C(=O)O"]
["28513943","COC(=O)C1=C(CF)NC(C)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1F"]
["174750953","CN=C(O)Oc1ccc2c(C)c(Cc3cccc(NS(=O)NC)c3F)c(=O)oc2c1"]
["67495185","CCN(CC)CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.Cl.Cl"]
["MCULE-2446496165","Cc1ccccc1OCCC(=O)N1CCOC2(CCCN(C(=O)c3cncnc3C)C2)C1"]
["96529232","COc1ccc(CCCSc2ccccc2)cc1OC"]
["105008833","CCOC(=O)C1=C(C)N=C2N=CNN2[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1"]
["MCULE-1057596070","Cc1ccc(N=C(O)C(C)N(Cc2nc(O)c3ccccc3n2)S(=O)(=O)c2ccc(F)cc2)c(C)c1"]
["174878629","C=Cc1ccc[c-]1C(C)=O.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1"]
["MCULE-1674036877","Cc1cc(-c2cncnc2)ccc1NC(=O)c1cn(C)nc1C(F)F"]
["139779341","COc1ccc(C(=O)NCCCN2CC(C)CC(C)C2)nn1"]
["18059169","CCN(Cc1cnn(C)c1)C(=O)Nc1ccc(C#N)cc1"]
["MCULE-8430078607","COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)Cc1cc(Cl)ccc1Cl"]
["104916011","COC(=O)[C@H]1CNCC[C@H]1C(C)C"]
["60307926","CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N"]
["MCULE-9807465020","Cc1c(Cn2nc(C#N)cc2C(F)(F)F)cccc1C(F)(F)F"]
["129534546","O=C(Nc1nc(CC(O)=NCC2CN3CCN2CC3)cs1)c1cccs1"]
["123214279","CN=C(O)c1cncc(C=CC(O)=NC2CCSc3ccccc32)c1"]
["174068845","CC(C)(C)[Si](C)(C)OCCOc1cc(-c2cc(N)ccc2F)cc(Cl)n1"]
["113662837","CN=c1cc(Cc2nccn2C)nc(C(F)(F)F)[nH]1"]
["139908819","N#Cc1ccc(CN2CCCN(C(=O)CCCCc3cnn[nH]3)CC2)cc1"]
["MCULE-6381158536","COc1ccc(C)cc1-c1c(F)ccc(N=C(O)c2c(C)ccc[n+]2[O-])c1F"]
["MCULE-1572086117","C=CCCC(O)=Nc1cccc(Cl)c1OCC"]
["MCULE-9150764000","CCOc1cc(C2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2ccc(F)cc2)ccc1OCc1ccccc1"]
["197694379","CC(C)(C)c1cc2c3c(c1)N(c1ccc(-c4ccccc4)cc1)c1ccc(-c4ccccc4)cc1B3c1cc3c(cc1O2)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C"]
["77948429","NCC1OC(OCC2CCC(N3CCC(O)=NC3=O)O2)C(O)C1O"]
["14899814","Cc1ccc(CC(O)=NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1"]
["MCULE-5590402720","Cc1cccc(C)c1OCC(=O)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1"]
["52709335","CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(N)=C(C(=O)[O-])C1c1ccc(C#N)cc1"]
["2698634","CCOc1ccc(OCC)c(NC(=O)c2ccc(-n3cnnn3)cc2)c1"]
["45493555","CC(C)NC(C)(CO)CCSc1nccn1C"]
["MCULE-1613515733","COc1ccc(OC)c(-c2c(F)ccc(N=C(O)C3CC(F)(F)C3)c2F)c1"]
["176836499","CC(C)c1cccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)c(-c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)c3)c3ccccc23)c1"]
["45562582","CCOc1ccc(OCCN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1"]
["MCULE-9457423777","C=CCSc1nnc(C)n1N=Cc1c(OC)ccc2ccccc12"]
["89111144","COc1ccc(-c2cc(CO)c(C(C)(C)C)o2)cc1OC"]
["62161507","Cc1ccsc1CN(C)C(=O)C1=NN(c2ccccc2)C(=O)CC1"]
["196550639","Cc1cc2c(cn1)nc(-c1cccc3c1oc1cc4ccccc4cc13)n2-c1c(C(C)C)cccc1C(C)C"]
["MCULE-9417011297","CC(C)Cc1nc2ccc(C(O)=NC(C)C(O)=NCCCOC(C)C)cc2[nH]1"]
["MCULE-4641050190","O=c1c(C(O)=Nc2ncc(F)cc2-c2cccc(F)c2)cnc2ccccn12"]
["106244319","COc1cccc(N2C(=O)N=C3N=C4C(=CNN4C(C)(C)C)[C@H](c4cc(OC)c5c(c4OC)OCO5)[C@H]32)c1"]
["172914876","Cc1ccc(C#N)cc1-c1ccc(S(C)(=O)=O)cc1"]
["47502747","CCNCc1ccccc1.O=C1C=CC=C/C1=C1/N/C(=C2/C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1"]
["99832197","CC(=O)OC(C)/C=C/C(O)=N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CN=C(O)CBr)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C"]
["141187614","Cn1cc(C(O)=Nc2cccc(OC(=O)CCc3ccc(Cl)cc3)c2)cn1"]
["2535127","O=C(Cc1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1"]
["113009706","CCCC(CCN)CN=c1ccc2c([nH]1)CCC2"]
["189033523","c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3ccccc3N4c3ccc4c(c3)sc3ccccc34)cc2)cc1"]
["154563983","O=C(NC[C@H]1N=NC2=C(O)NC=CN21)c1ccc(O)nn1"]
["81019271","COc1cc(CNC(CCCNC(=N)N)(C(=O)O)N(C(C)=O)C(=O)c2cccnc2)cc(OC)c1"]
["MCULE-7858717945","Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cc4ccccn4n2)C3)cn1"]
["2012077","COc1ccc2c(c1)CCN2C(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2"]
["100554316","Cc1nc(-c2ccccc2)oc1C(O)=NNc1ccc(F)nc1"]
["192303052","C=C(C)C(=O)OCCCCCCCCCCCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8OC(=O)C(=C)C)s6)s5)s4)s3)ccc21.CCCCCCCCCCC"]
["46908519","CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)c4c(C)n(C)c5ccccc45)c32)cc1"]
["114521745","N#Cc1c[nH]c2c(Br)ccc(F)c2c1=NN"]
["74421605","COCCNSc1ccc2c(c1)C(=NNc1ccccc1N=O)C(=O)N2"]
["104492366","COc1cc(/C=c2\\sc3nc(/C=C\\c4cccs4)nn3c2=O)ccc1OC(C)=O"]
["61919298","Cc1noc(C)c1CCC(O)=NC(C(=O)O)C(C)C"]
["179175906","O=S(=O)(NCC(F)(F)F)c1ccc(-c2cccc(C3CCCC3)c2)c(NC(O)=NC2CCCC(C(F)(F)F)C2)c1"]
["125598074","CN=C(O)N=C(O)CN1CCN(Cc2noc(C)n2)CC1"]
["115687910","COC(=O)c1c(NC(=O)c2nn(-c3cccc(C)c3)c(=O)cc2O)sc(C)c1C"]
["62735140","CC([O-])CC(C)O.Cc1cnc(C2=C=CC3C=CC(c4ccccc4)=CC3=C2)c(C)n1.[Ir]"]
["165586535","CCCc1n[nH]c(=NCC2(CS(C)(=O)=O)CCOCC2)s1"]
["187870872","CSNc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1ncn2Cc1ccccc1"]
["149339894","CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)C2c2cccc(OCCC)c2)cc1"]
["175170533","O=C(c1coc(CNC2CC2)n1)N1CCN(CCc2ccccn2)CC1"]
["25153573","Cc1cccc(S(=O)(=O)N2CCC[C@H]2CN2CCC(c3c[nH]c4ccccc34)CC2)c1"]
["52322469","O=C(Cc1ccccc1)c1c(O)sc2ccccc12"]
["MCULE-2533969326","COc1ccccc1CC(O)=Nc1cc(-c2cncc(F)c2)ccn1"]
["177616456","CC(C)CC(N=C(O)C(Cc1ccccc1)N=C(O)C(N)Cc1ccccc1)C(O)=NC(CCCCN)C(=O)N1CCC2(CC1)CN(C(=O)C(F)(F)F)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]
["143016623","CCCCCS(=O)(=O)NCc1ccc(OC(F)(F)F)cc1"]
["132612151","CCc1noc(-c2ccc(CCN=C(O)NC(C)c3cnn(C)c3C)cc2)n1"]
["46750656","CC(=O)N(c1nc(/C=N\\NC(=O)c2ccc(C)cc2)cs1)c1ccc(F)cc1F"]
["MCULE-6149882762","OC(CC1CC1)=Nc1ccc(-c2cncnc2)c(F)c1"]
["MCULE-3452051666","CC(C)(CO)N=C(O)c1c[nH]c2cc3c(cc2c1=O)OCCO3"]
["173779982","C=CN=NCCCCCCCCn1cc(C(C)(C)O)nn1"]
["14446064","CC1=C2[C@H](c3ccc(F)c(Br)c3)C(C#N)=C(N)O[C@H]2N=N1"]
["MCULE-8973161571","Cc1c[nH]cc(-c2cccn2C)c1=NC(=O)CN1Cc2ccccc2C1=O"]
["77497915","CC1CN(CC(O)=NCc2cc(-c3ccccn3)no2)CC(C)O1"]
["96514931","CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OS(=O)(=O)C(F)(F)F"]
["186869533","CCN1CCC[C@@H](NC(=O)c2cc3c(C(=O)O)cccc3s2)C1"]
["75191581","Cl.O=S(=O)(O)c1ccccc1CBr"]
["1222904","CN(CCNC(=O)C(=O)N(C)c1ccc2ccccc2c1)c1ccccc1"]
["148108087","COCC(N)C(O)=Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1"]
["76512111","CCC(Sc1cccc(NC(=O)C(=Cc2ccc(N(C)C)cc2)N=C(O)c2ccccc2)c1)C(O)=Nc1sc2c(c1C(=O)OC)CCN(Cc1ccccc1)C2"]
["MCULE-6946002941","CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)C2c2cccc3ccccc23)cc1"]
["30068466","CCC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(S(=O)(=O)N=C(O)OC(C)(C)C)cc1"]
["136037788","CC(C)N(CCN(C)C)C(O)=NC1COc2ccccc2C1"]
["153752946","Cc1ccc(N2/C(=N\\C(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1"]
["23565494","COc1ccc(CNC(O)=NCC(C)N(C)C2CC2)cc1OC"]
["MCULE-6354044374","CCOc1ccc(F)cc1-c1cc(N=C(O)C(C)N2C(=O)c3ccccc3C2=O)ccc1OC"]
["58794477","OC(COc1cccc(Cl)c1)=Nc1nnc(Cc2ccccc2)s1"]
["89077748","CN=C(O)c1cnc(COc2ccc(C)cc2C)nc1Cl"]
["58513031","O=c1cnc(C(O)=NCCCNCc2cccnc2)c[nH]1"]
["MCULE-1928515667","CCC(CC)C(O)=Nc1cccc(OCC(=O)OCCc2ccccc2)c1"]
["66515402","O=C(CN1CCN2c3ccccc3CC(C(O)=NC3CCCCC3)C2C1)N1CCOCC1"]
["13312739","CCOc1ccc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1"]
["172595166","C1=C2CCOC=C2NCN1"]
["MCULE-5589133770","CCS(=O)(=O)N(CC(O)=Nc1cccc(C)c1C)C(CCSC)C(O)=Nc1ccccc1C(C)C"]
["120853814","N#CC1(c2nccc(-c3ccncc3)n2)CCC1"]
["MCULE-2034565923","COc1ccc(C(=O)N2CCN(C(=O)CSc3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)CC2)cc1"]
["138447970","CN(Cc1ccccc1)CC1CCN(C(O)=NCC(O)=NC(C)(C)C)CC1"]
["200616155","Cc1ncsc1-c1ccc([C@H](C)N=C(O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N=C(O)CCCCCCCC(=O)Nc2ccc(N(C(=O)CCl)C(C(O)=NCCc3ccccc3)c3cccs3)cc2)C(C)(C)C)cc1"]
["135056407","Cc1csc(Sc2ccc(N=C(O)C(=O)NNc3ccccc3)c(C)c2)n1"]
["55163193","O=C(O)C1Cc2ccccc2N1C(=O)C1CCCO1"]
["MCULE-1985805080","COc1ccc(CC(=O)N2CCCC3(C2)CN(C(=O)c2ccc(F)s2)CCO3)cc1"]
["MCULE-5895229740","C=CC(C)C(=O)N1CCN(c2ccc(C(=O)OC(C)(C)C)cc2)CC1"]
["84482275","Cc1[nH]c2ccc(C(O)=Nc3cnccc3Cl)cc2c1C"]
["187835326","COCCOC1CN(C(C)(C)CCC(C)N2CCC(N(C)C)C2)C1"]
["144188808","CCc1noc(C)c1NC(=O)C(=O)NC(C)C(O)=Nc1ccccc1"]
["141438254","CCc1ccc(C(=O)NC(C#N)c2ccccc2Cl)cc1"]
["14120804","Cc1cc(C)cc(N=C(O)Cn2nc(S(=O)(=O)c3ccc(C(C)C)cc3)ccc2=O)c1"]
["67977371","O=C(c1ccc(O)nn1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1"]
["159320234","Nc1cc(I)c([N+](=O)[O-])c(OC(F)(F)F)c1"]
["MCULE-3165673747","COCc1ccc(-c2cc(N=C(O)c3cc(C)cc(C)c3)c3nccn3c2)cc1"]
["113812900","Cc1cc(S(=O)(=O)NC2CCC(O)=NC2=O)ccc1C#N"]
["MCULE-5047665435","O=C(c1ccc(-c2cnc(N3CCOCC3)nc2)cc1C(F)(F)F)N1CCC(N2CCCC2)CC1"]
["97484299","SC1=NCCCOCCOCCCN=C(S)NCCCOCCOCCCN1"]
["176438145","C=C/C=C\\C=C(/C)C1=C(Nc2ccccc2)CCC(c2cccc(-c3ccccc3-c3ccc4c(c3)C/C=C\\C=C/C(=C)N4c3ccccc3)c2)=C1"]
["4672511","Cc1cc(C)cc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2c(C)nn(C)c2C)c1"]
["MCULE-2940051822","Cc1nc(=NC(=O)c2ccncc2-c2cccc(C#N)c2)s[nH]1"]
["MCULE-5545751189","CCCC(N=C(O)CC(c1ccccc1)c1cccc(F)c1)C(O)=Nc1ccc2c(c1)C(=O)N(C)C2=O"]
["144784901","O=C(O)c1ccc(CN2CCCc3ccccc32)cc1Cl"]
["853612","COc1ccc(C=NN=C(O)c2cc(-c3cccnc3)nc3ccccc23)c(OC)c1"]
["112503256","CCC1CCC(N(C)c2cc(Cl)c(F)cc2N)CC1"]
["MCULE-3341906395","COc1ncc(-c2cccnc2C)cc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1"]
["177273211","C=C(C)/C(=N\\C(C)=N/CNC[C@H](N=C(O)O[C@@H](C)C(=O)O)C(=O)O)N1CCC(c2ccc3c(n2)NCCC3)CC1"]
["59310651","CC(C)C(C)N=C(O)Cn1ccc2ccc(N)cc21"]
["MCULE-7791486775","Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCN(CCO)CC2)C3c2cc(C)ccc2O)cc1"]
["MCULE-7440971513","Cc1cc(-c2ccc(F)c(C#N)c2)ccc1NC(=O)C1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1"]
["155475151","CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(C)(C)C)nc2[nH]1"]
["46598075","CCn1cc(C(=O)OCCO)c(=O)c2c3sc(=O)n(C)c3ccc21"]
["56570786","Cc1ccc(OC2CC(CN)C2)nc1"]
["172594808","C[C@@H](CN=c1[nH]c(OC[C@]2(C)CN(C)CC[C@@H]2C(F)F)nc2c(F)c(-c3c(F)cc(F)c4sc(N)c(C#N)c34)c(Cl)cc12)c1cnc[nH]c1=N"]
["MCULE-7556561733","COc1ccc(CCn2cc(OCC(O)=NCc3ccc(OC)cc3)c(=O)cc2CSC(C)(C)C)cc1"]
["MCULE-5257862091","COc1cc(-c2ccc3c(c2)N(C(=O)c2sc(C)nc2C)CCO3)ccn1"]
["199998753","Cc1cnc2[nH]nc(-c3cc4c(c([C@@H]5CCCN5)c3)CN(C(=O)[C@](C)(O)C(F)(F)F)CC4)cc1-2"]
["MCULE-7525413990","Cc1cccc(-c2cc(CCC(=O)N3CCN(c4ncccn4)CC3)ccc2F)c1C"]
["170548066","CN1CCC(c2cccc3ncc(-c4cnn(CCCCCCNc5ccc6c(c5)C(=O)N(C5CCC(O)=NC5=O)C6=O)c4)nc23)CC1"]
["100583074","CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)P(=O)(O)O)OC)N(C)C(=O)[C@@H](N=C(O)[C@@H](NC)C(C)C)C(C)C"]
["MCULE-2225283571","Cc1ccc(-c2cc(CC(O)=Nc3cnccc3C)ccc2F)o1"]
["173771124","[Ta].[TeH].[W]"]
["129357625","O=C(c1ccccc1)N1CCC(NC(O)=NCCc2ccc(Cl)nc2)CC1"]
["61848781","COc1ccc(C=NN=C(O)c2ccc(Cl)cc2O)cc1"]
["MCULE-7842527674","CN(C)CCC1CCCCN1C(=O)CCc1ccc(-c2ccccc2C(=N)O)cc1F"]
["120245737","CCCC(COC)NCc1ccc([N+](=O)[O-])s1"]
["164265792","O=C1CN(CCN(Cc2ccccn2)Cc2ccccn2)CC(=O)O1"]
["28049452","Nc1ccc(C2=C(c3ccc(O)c(F)c3)Cc3c2cc(O)cc3C(F)(F)F)o1"]
["89831493","COCCc1nc2sc(-c3ccccc3)cc2c(=O)n1C(C)C(=N)O"]
["167393032","Cc1ncnc(-c2ccccc2)c1C(=O)OC(C)C"]
["7386350","COCCN=C(O)N=C(O)CNc1cccc(S(=O)(=O)N2CCCCC2)c1"]
["MCULE-5920063538","CCN(c1ccccc1)S(=O)(=O)c1ccccc1N=C(O)c1cc(=O)c2c(Cl)ccc(OC)c2[nH]1"]
["177198481","CSn1ccc2c(-c3cc(F)c4c(c3C(F)F)-n3c(C)nnc3C(C)(C)N4)cc(F)cc21"]
["48211195","NC(=O)c1ccc(C(=O)NCCCOCc2ccco2)cc1"]
["45043227","C[C@]12CC[C@H]3C[C@@]1(C(=O)O)OC[C@@]32C"]
["90712121","CC(C)Oc1cc(C2NC(S)=NC2c2ccc(F)cc2)ccn1"]
["79420830","O=P(O)(O)O.OB(O)O.[Y]"]
["MCULE-4541202375","Cc1ccncc1C(=O)N1CCN(c2ncc(-c3cccc(C(=O)N4CCCCC4)c3)cn2)CC1"]
["134010649","CCOc1ccc2cc(C(=O)N3CCC(CN(C)C)C3)[nH]c2c1"]
["32428093","C[Si](C)(C)C#Cc1ccc(COC(=O)c2ccc(N3CC4C(C3)[C@H]3C=C[C@@H]4C3)cc2)cc1"]
["105825258","COc1ccccc1[C@](C)(N)c1ccc(F)cc1F"]
["21908713","Cn1c(=O)nc(O)c2c1nc(S)n2C[C@H](O)COc1ccc(Cl)cc1Cl"]
["178661145","CC(S)C1(C)C=CC=CO1"]
["145287836","Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(N=C(O)C7CC7)c6)cc45)nc23)cn1"]
["147210864","Cc1cc(C(=O)N2CCC(N)C(C)(C)C2)ccc1NC(=O)CC(C)C"]
["54840724","Nc1cc(O)c(O)c(-c2ccccc2O)c1"]
["51262175","O=C1CC(C(=O)n2ccnc2)CN1c1ccccc1"]
["177637387","CO[C@H]1C[C@@H](CN(C)C)N(c2cc(NCc3nnc(C4CC4)s3)ncn2)C1"]
["MCULE-5284098121","N=c1ccc(-n2nc(C3CCC3)c(C(F)F)c2N)c[nH]1"]
["181230951","CN=C(O)C1(NCc2ccc3c(c2)OCCO3)CCN(CC(O)N=[N+]=[N-])CC1"]
["95888167","Cc1ccc(F)c(C(NN)c2ccnc(Cl)c2)c1F"]
["148082762","O=C(c1ccncc1)N1CCC(NCC2CC=CCC2)CC1"]
["47783599","Cc1ccc(C(O)=NN=C(O)c2cccnc2)cc1S(=O)(=O)Nc1ccc(F)cc1"]
["28304436","CN(C)C1CCN(c2ccc(N=c3cc[nH]c4ccc(-c5ccc(OC(F)F)cc5)cc34)cc2)C1"]
["5533663","Cc1ccc(S(=O)(=O)N(CC(O)=NCc2ccc(C)c(F)c2)c2ccccc2)cc1"]
["127130502","CCCS(=O)(=O)c1ccccc1C(O)=NCc1ccc(O)nc1"]
["172460069","CCCCCc1ccccc1N=C(O)C(F)(F)F"]
["91949424","CC(C)CNCC(O)COc1ccc(C#N)c(F)c1"]
["173233352","CC/C(=C\\CC(C)Cc1cc2c(cc1C)C(C)(C)CCC2(C)C)C(C)=O"]
["84787604","C#CCN(CC(=O)O)c1ccc(S(=O)(=O)C(F)F)cc1"]
["7014185","CCOC(CCC#N)OCC"]
["130918631","CN(C)C(=O)COc1ccccc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1"]
["167475579","CCN(CC)Cc1cc(CN(CCO)Cc2cnc(C)[nH]2)ccc1OC"]
["23682087","CC1Cc2ccccc2N1C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1"]
["144002688","C=CC1CCN(C(=O)C2CCCN(C(O)=NCC(C)C)C2)CC1"]
["116284886","O=C(OC1CC2(C1)CC(c1nnc(O)c3ccccc13)C2)n1cc2ccccc2c1"]
["MCULE-1599940442","O=C(NCc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1)c1ccco1"]
["142941078","COCCCN1CCC(N=C(O)C2CC2c2sccc2C)CC1"]
["154379626","COc1cc(C=C2S[C](Nc3ccc(Cl)cc3C)N=C2O)cc(Cl)c1OCc1ccc(Cl)cc1"]
["134568188","COc1cc(C(C)N=C(O)CC2CCCN2)ccc1OCC(C)C.Cl"]
["120321533","CC(C)(C)c1nc(C(=O)NCC(F)(F)CO)n[nH]1"]
["59371550","CC(=O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](CCCNC(=N)N)C(O)=N1"]
["112337017","CNCCC(F)C1CCCN(C)C1"]
["MCULE-3153286779","Cc1nnsc1C(O)=Nc1cccc(-c2cc(F)c(F)cc2C#N)c1"]
["158840381","CCC(O)=N[C@@H]1CCCN(C(O)=N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1"]
["31831758","Fc1ccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)cc1"]
["114652090","CNC1C(S(=O)C(C)C(C)C)CCC1(C)C"]
["155149717","COc1cncc2nc(/C=C\\S(=O)(=O)c3ccccc3)[nH]c12"]
["105408757","Cc1nnc(NN=C(O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)nc1O"]
["MCULE-9789241164","CN(C)CCC(OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccs1"]
["95892868","CCCNC1CC(OC2CCCC(OC)C2)C1OCC"]
["MCULE-6461186878","CCOc1cc(-c2c(OC)cc(C(=O)N3CCN(c4cnccn4)CC3)cc2OC)ccc1F"]
["188128261","Cc1ccc2nc(-c3ccc(-c4ccc5cc(-c6ccc(-c7ccc(C#N)cc7)cc6)ccc5c4)cc3)oc2c1"]
["92337816","CNC1CCN(c2ncccc2OC)C1"]
["148033530","CN=C(O)c1ccc(C)c(N=C(O)CC2CCCCC2N)c1"]
["147593780","CCc1cc(-c2cccnc2)nn1CC(=N)N"]
["8564275","CCNS(=O)(=O)CCN=C(O)c1cc(C)n(CC)c1C"]
["176169228","N/C(=C\\C(=Nc1ccccc1)N=C(O)c1cc(-c2cccc(N)n2)ccc1Cl)C(O)=NCc1cocn1"]
["181495008","COOC1C(F)C1F"]
["139984733","COC(=O)C(C)(N=C(O)C(C)SC)c1ccc(Cl)c(Cl)c1"]
["107286759","CC(C)c1nc2ccc([C@H](Cl)C(=O)O)cc2[nH]1"]
["MCULE-9898200947","CCCC(O)=NCCc1nn2c(CCOC)nnc2s1"]
["73897859","CCCc1c[pH]pp1"]
["MCULE-7356937944","COc1cc(-c2cccc(C(F)(F)F)c2)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)C1"]
["34513558","Cc1cc(C)c(C2=C([O-])N3CCC[N+]4=C3N(CCC4)C2=O)c(C)c1"]
["114885326","CCCCCCCCCCC(NC)c1ccc(Cl)c(F)c1"]
["162451424","CC1CCCC(CN2CC(CN)C2)C1"]
["31733817","Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5)cc4=O)nc31)CCNCC2"]
["27087103","CCCCOCC(O)COc1ccccc1N=C(O)CCSCCC"]
["187223264","c1ccc(Nc2nnc(-c3ccccc3)c3c(-c4ccccc4)onc23)cc1"]
["44020649","[CH2+]C=[Si-]CC[Si]CCC"]
["99964658","CC(C)Oc1nc(=Nc2ccc3nccc(-c4ccccc4)c3c2)[nH]c2[nH]cnc12"]
["150247250","CC(C)(C(O)=NC1Cc2ccccc2C1)S(=O)c1ccc(Cl)cc1"]
["135979473","COc1ccccc1C(NC(O)=Nc1c(C)ccn(C)c1=O)c1ccco1"]
["45825773","O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(Oc2ccccc2)cc1"]
["88454076","CCCOCCCNc1snc(C)c1C(C)=O"]
["49558155","COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)/C(=C/c2ccc(F)cc2)N=C(O)c2ccccc2)cc1"]
["190780173","Cc1ccnn1CC1CN(C(=O)Cc2nc(-c3ccc(F)cc3F)ccc2N)C1"]
["109021550","CC1(C(Cl)(Cl)Cl)[C@@H]2O[C@H]2C(=O)[C@H]2O[C@@H]21"]
["171405203","ClCCCCCOc1[c-]cccc1.[I-].[Mg+2]"]
["136869464","Cc1oc2ncn(C)c(=O)c2c1C(O)=NC(C)CC(O)c1ccccc1"]
["145884231","Cc1oc(CN(C)C(=O)CC(C)C2CCCCC2)cc1C(=O)O"]
["175083250","CCPC(C)OS(=O)(=O)O"]
["120471809","CC(O)=NCCNC1(C(=O)O)CCCSC1"]
["MCULE-3239025378","CC(C)(C)OC(O)=NCC1CC1c1ccc(N=C=S)c(Cl)c1"]
["180820421","CC(C)(C)C1C=C=C(c2nccc3sc(-c4ccc(F)cc4)cc23)C=C1.[CH2-]C(=O)C=C(C)O.[Ir]"]
["67346436","Cc1cc(C)nc(NC(=O)c2ccc(N)cc2)n1"]
["120469634","CCOCCOC(C)CC(=N)S"]
["46957121","Cc1nn(C)c(C)c1N=C(O)[C@H](C)SC1=C(C#N)C(C)(C)[C@H](C#N)C(O)=N1"]
["173591925","C=Cc1cc(OCC(C)C)cc(C(C)(C)C)c1"]
["192620989","N=C(O)[C@@H](c1ccccc1)[C@@H](CCC(F)(F)F)C(O)=N[C@H]1N=C(c2cccc(F)c2)c2cccc(OC3CC3)c2CC1=O"]
["16505509","CC(C)(C)c1ncc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)s1"]
["123232111","CN1CCN(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CC1"]
["127074108","CCOc1ccc(Oc2ccccc2NC(O)=NC2CCN(C3CC3)CC2)cc1"]
["MCULE-2442536064","CCC(N=C(O)CCC(=O)c1ccc(C)cc1C)C(=O)N1CCC(C)CC1"]
["172323783","Cc1cnc(C(C)(C)N=C(O)C2C3(C)CNC[C@]23C)c2ccccc12"]
["MCULE-2625970243","CCc1ccc(OCCCC(O)=NCc2nnc3ccccn23)cc1"]
["181416637","[N-]=[N+]=NNCCCCCCc1ccccc1"]
["162338212","CC[C@@H]1CCCCCCc2nc3ccc(OC)cc3nc2O[C@H]2CN(C(=O)[C@H](C3CCCCC3)N=C(O)O1)[C@H](C(O)=N[C@]1(C(O)=NS(=O)(=O)C3(C)CC3)C[C@H]1C(F)F)[C@@H]2CC"]
["65311596","COc1cnc2cccc(C(O)CN3C4CCC3CC(NCC=Cc3ccccc3)C4)c2c1"]
["82625331","CC(CCCC1=NC(=O)C2N=C(c3ccc(F)cc3)N(C)C2=N1)C(F)(F)F"]
["172370105","O=C(C1Cc2ccccc2C1)N(Cc1ccncc1)C1C=CS(=O)(=O)C1"]
["181047350","[N-]=[N+]=Nc1nc(Cl)cn1CC1CCCCO1"]
["154200182","CCC/C=C\\C=C/C(O)=C1\\C(=O)[C@H](C[C@@](O)(C(=O)O)C(C)C)N(C)C1=O"]
["75433184","O=Cc1cc2c3c(c1Oc1ccc([N+](=O)[O-])cc1C(=O)O)CCCN3CCC2"]
["132146468","CC(=CC(C)(C)C)C(=O)N1CCC(C(O)c2nccn2C)CC1"]
["178398900","Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1C1=CN2C=IN=C2C(=Nc2ccc(C(=O)N(C)CCO)cc2)N1"]
["130875513","CC(NS(C)(=O)=O)C(O)=NCc1ccc(CN2CCCCCC2)cc1"]
["MCULE-9205277836","COc1ccc(OC)c(C(O)=NCc2ccc(-c3cccc(CC#N)c3)cc2)c1"]
["103889401","C=CCOc1cccc(N=C(S)NC(C)(C)C)c1"]
["132389294","O=C(c1cccc(OC(F)F)c1)N(Cc1ccco1)c1ccccn1"]
["53740315","c1cc2ccc3ccc(-c4cc5cccc6c(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc7cccc4c7c56)c4ccc(c1)c2c34"]
["155215047","CC(C)CCOc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br"]
["107516256","NC[C@H](O)CCc1ccccc1F"]
["194087968","COC(=O)Cc1ccc(F)cc1C#N.N#Cc1cc(F)ccc1CCO"]
["105711020","C[C@@H]1C[C@H](C)CN(C(C)(C)CN=C(O)c2cccnc2-n2cncn2)C1"]
["166691441","CC(=O)C(Br)c1cc(CCl)cc(OC(F)F)c1"]
["MCULE-1320168195","CC(=O)c1ccc(F)c(-c2cnc(N=C(O)C3CCN(C(C)C)CC3)nc2C(F)(F)F)c1"]
["104455403","Cc1c(C(=O)O)sc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cn12"]
["132132422","Cc1ccc(-c2n[nH]cc2CNCCC(=O)OC(C)(C)C)cc1"]
["165865160","O=C(N=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(S(=O)(=O)C(F)F)cc1"]
["87369434","Cc1nc(N2CCC(N(C)C)C2)ccc1CNCC(C)C"]
["178916370","FC(F)(F)c1cc(CN(Cc2ccc(C(F)(F)F)nc2Br)c2nn[nH]n2)cc(C(F)(F)F)c1"]
["80702332","COc1cccc(-c2nnc(CN3CCC(C(O)=[NH+]C(C)CCc4ccccc4)CC3)o2)c1"]
["170063778","O=C(N1CCC2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1)n1cc(Cl)cn1"]
["175939346","CC.CC.CCN=C(O)CCC(=O)C=C(C)C"]
["MCULE-1942847453","OC(=NCc1csc(-c2cccnc2)n1)c1ccc2oc(-c3ccco3)nc2c1"]
["14738114","CCOc1ccc(N=C(C)O)cc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1"]
["162894136","CC[C@@H](CO)Nc1cnc(C#N)cn1"]
["148890917","Cc1cc(N2CCCC2)nc(=NCCN=C(O)c2cc(-c3cccnc3)on2)[nH]1"]
["48737780","CCc1ccccc1N=C(O)c1c(CC)nc2ccccc2c1C"]
["MCULE-3303127877","Cc1ccc(C(=O)N2CCC(F)C2)cc1-c1c(F)cc(F)cc1F"]
["97178089","O=C1c2cccc3cccc(c23)[C@]12OC(c1ccccc1)=N[C@@H]2c1ccc([N+](=O)O)cc1"]
["193176436","C1=CN=CC1.O=C=Nc1ccc(Cl)c(C(F)(F)F)c1.OC(=Nc1ccc(Cl)c(C(F)(F)F)c1)n1ccnc1"]
["114128916","Cc1c(CNCC(O)=NCC(C)C)n(C)c2ccccc12"]
["MCULE-2353210794","Cc1cc(F)cc(-c2ccccc2CN(C)C(=O)c2ccno2)c1"]
["26473372","OC(=NCC(Cc1ccccc1)c1cccs1)Oc1ccccc1"]
["158610337","COCC1(C(O)=N[C@@H]2CCN(C(C)=O)C2)CC1"]
["188575580","Cc1c(COc2ccc(CNCCO)c(OCc3nnc(-c4ccccc4)o3)c2)cccc1-c1cccc(OCCCN2CCOCC2)c1"]
["82264531","CC(C)(C)OC(=O)N1CCC2CC1CCO2"]
["164397956","CN(C(=O)c1cc(-c2ccc(F)cc2)nn1C)C1CN(c2ccc3nncn3n2)C1"]
["111725058","N=c1[nH]sc(NC2CCCCCCC2)c1-c1ccncc1"]
["51575666","CCOC[C@H](CC(C)C)N(Cc1ccc(N/N=C2/C=CC(=O)C(C(=O)O)=C2)cc1)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1"]
["172924656","CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](c3ccc4c(=NC(=O)c5ccccc5)nc[nH]n34)C(=O)[C@@H]2O[Si](C(C)C)(C(C)C)O1"]
["182574021","CC(=O)N(CO)N=[N+]=[N-]"]
["172061914","CC(C)(C)OC(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(=N)nc2O)[C@]1(F)Cl"]
["109849533","Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCCC[C@@H]1C(=O)N1CCCC1"]
["MCULE-7286294045","CCc1nn(C(C)c2ccc(OC)cc2)c(Br)c1CO"]
["61024514","COc1cc(P(=O)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(Br)c2c1OCO2"]
["868121","Cc1nc2cc(NC(O)=NCc3ccc4c(c3)OCO4)ccc2o1"]
["MCULE-5996780555","Cc1cc(Nc2nc(=NCCc3cnc[nH]3)[nH]c(=NCCc3cnc[nH]3)[nH]2)ccc1Br"]
["180570751","COC(=O)C1CCC(CN2CCc3c(nc(C(=O)Nc4cccc(-c5cccc(CC(=O)c6nc7c(n6C)CCN(C6CCC(O)CC6)C7)c5Cl)c4Cl)n3C)C2)CC1"]
["195695527","C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C(=O)CC=O)=CC[C@@H]12"]
["155877461","C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(Cl)cc3)c2)N1"]
["197119414","CC(=O)N1C[C@@H](N)CC[C@@H](C(=O)N2CCc3ncccc3C2)C1"]
["105900720","COc1ccc(N[C@@H](C(=O)O)C(C)C)cc1OC"]
["61506396","CCc1ccc(C2N=C(S)N(CC)C(C)=C2c2nc(-c3ccccc3)no2)cc1"]
["184659198","N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]5C(O)[C@H](n6cnc7ccccc76)O[C@@H]5COP(=O)(O)OC4[C@@H]3F)c2[nH]1"]
["102082771","Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)C2)c(C)c1"]
["MCULE-8765881474","Cc1cc(C)c(CC(=O)N2CCN(c3ncc(-c4ccccc4OC(C)C)cc3C)CC2)c(C)c1"]
["MCULE-8343880587","CCOC(=O)c1cnc(C)cc1-n1nc(CC)c(I)c1N"]
["16959888","N=c1[nH][nH]c2cc(Br)cnc12"]
["6640357","CCOC(=O)N(C)c1ccc(NC(O)=NCc2ccnc(OC)c2)cc1"]
["94007017","CNC(c1cc(C)cc(Br)c1)c1cccc2ccccc12"]
["51198105","CN1C(=O)c2cccc3c(-c4c5ccccc5cc5ccccc45)ccc1c23"]
["34022833","OC(=N[C@@H]1CC[C@H](CN2CCC(c3ccc(Cl)cc3)CC2)C1)Nc1cc(F)cc(F)c1"]
["96352642","CNC(C)c1ccc(OC(C)CCOC)cc1"]
["152396786","COc1cc(C=C2C(O)=NC(=S)N=C2O)ccc1OCc1ccccc1Br"]
["169986838","C=C/C(=C\\NC(C)=N)c1ccc(-c2ccc(C(C)(F)F)cc2CN(C)C=N/C=C\\C)cc1F"]
["74738017","CC(=O)CNOCCNCC(=O)CNC(=O)c1ccc([N+](=O)[O-])o1"]
["70353695","C=CC(c1ccccc1)C(C=NO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1"]
["86512858","CCCc1nc(NN)c(C)c(-n2cc(Br)cn2)n1"]
["MCULE-3103789015","CCCC(N=C(O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)N1CCCC(CO)C1"]
["80526071","CC(C)CC(N=C(O)C(Cc1ccc(CN2CCOCC2)cc1)N=C(O)C(Cc1ccc(N)cc1)N=C(O)C(CO)N=C(O)C(Cc1ccccc1)N=C(O)C(Cc1ccc(Cl)cc1)N1C(=O)C(Cc2ccc3ccccc3c2)N=C1O)C(O)=NC(CCCNC(=N)N)C(=O)N1CCCC1C(O)=NC(C)C(=N)O"]
["MCULE-2567310697","COc1nccc(=NC(=O)c2cc(-c3ccccc3C(F)(F)F)cc([N+](=O)[O-])c2C)[nH]1"]
["123671314","COc1ccc(CCC(=O)N2CCCN(C(=O)CC3CCCC3C)CC2)cc1"]
["171463942","Cc1cccc(C)c1-c1cc2nc(n1)NS(=O)(=O)c1cccc(c1)C(=O)N(Cc1cncc(N(C)CC(C)(C)C)c1)[C@H](CC(C)(C)C)CO2"]
["14221027","C=CCn1nnnc1SCC(O)=NCc1ccc(COCC)cc1"]
["162423088","CC(C#N)NC(C)CN(C)Cc1ccccc1"]
["31916083","CN(c1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4F)c3F)c12)C1CC1"]
["MCULE-6124826452","CCOC(=O)N1CCC(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(N=C(C)O)cc3)C2=O)CC1"]
["125187910","CC(c1ccccc1)C(C)(O)C(=O)N1CCN(CC2CC2)CC1"]
["163151000","Cc1ncc(OC(F)(F)F)c(CO)c1N"]
["175971288","CC(C)(C)OC(=O)N1CC(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1"]
["14610392","COC(=O)c1c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])sc2c1CCCC2"]
["114599406","CCN(C)C(=O)CNCc1ccccc1N"]
["128649515","CCNCc1cccc(N=C(O)C(CCSC)N=C(O)c2cccc(C)c2)c1"]
["117888582","CCN=C(NCCCCCOC)NCCc1ccccc1.I"]
["MCULE-2861304741","COc1ccc(-n2nc(C(O)=NCCc3ccccc3)cc2-c2ccc(C(C)C)cc2)cc1"]
["169082342","CCOC1=C(C#N)C(c2ccc(OC(C(=O)OC)c3ccccc3)cc2)C(C#N)=C(N)O1"]
["34745767","CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cc(C)cc(F)c1"]
["5007473","C#CCN=C(O)CCN=C(O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O"]
["128811075","OC(COCC1CC1)=NC(CC1CCC1)c1ccccc1"]
["136300663","Cc1coc(-c2cc(NC(O)=NCCN(C)Cc3ccc(F)cc3)ccc2C)n1"]
["5142959","CCCCCCN(C(=O)c1ccc(F)cc1)[C@H](C(O)=NCCCC)c1ccccc1"]
["183054493","CC(C)(C)[C@@H](N=C(O)CC(=N)O)C(O)(c1ccccc1)c1ccccc1"]
["165921172","N#CC1CNNC1N=C(O)C1Cc2ccccc21"]
["29716194","COc1ccc(-n2c(C)nnc2N2CC[C@H](Oc3ccccc3Cl)C2)cn1"]
["52569512","C/C=C/COC1C(OC)=CC=C2C1=CN1CCc3cc4c(cc3C1=C2Cc1ccc(C(C)(C)C)cc1)OCO4"]
["33563633","COc1cc(CNC(=O)c2cc(C3=NOC(c4ccc(CO)cc4)C3)nc(C)n2)ccc1F"]
["93912138","CC1(C(=O)O)CCCCN1C(=O)c1ccc(Cl)cn1"]
["30537414","CN(C(=O)O)c1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cccc(C(F)(F)F)c3)cc2[nH]1"]
["76436348","CCCCOc1cc(C=C(SCC(=O)O)c2nc3ccccc3s2)ccc1OC"]
["55228622","O=C(NO)c1ccc(CSc2nc(O)cc(-c3ccccc3)n2)cc1"]
["98562095","COCCC1(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)CC[C@H](NC2CCOC[C@H]2C)C1"]
["116360192","CCN=C(NCCNS(=O)(=O)c1cccnc1)N1CCC(Oc2ccccc2)CC1.I"]
["158106057","C[C@H](N)[C@H](C)Nc1ncc(Cl)cn1"]
["32878857","O=c1nc(O)cc(-c2ccccc2)n1[C@@H]1O[C@H](CCP(=O)(O)O)[C@@H](O)[C@H]1O"]
["86866811","CCn1cc(CN[C@@H](C)c2ccc(C)cc2)cn1"]
["4493236","OC(CN1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1)=[NH+]c1ccc(F)c(Cl)c1"]
["89145619","Cc1cc(-c2ccc(CCN)[nH]2)ccc1F"]
["93635119","CCCC(C)(C)N=C(O)C1(C)CCCN1"]
["137897113","Cc1cc2c(o1)CC(C)(C)CC2NC(O)=Nc1cc(C(=N)O)ccc1CN(C)C"]
["181941875","CCNc1cnc(Nc2ccc(OC)nc2)c(-n2cnc3cnc(C)nc32)c1"]
["141981400","Cc1nc2ccccc2n1CC(=O)N(C)c1ccc(Cl)cn1"]
["169853786","Nc1ccc2cc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccccc4)c4ccccc4c3)ccc2c1O"]
["120568704","COc1ccc(CC2OCC(CN)O2)cc1"]
["94924035","CCOc1n[nH]c(N=C(O)N(C)C)n1"]
["47761730","CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Cn3cncn3)cc2)CC1"]
["170643313","COc1nc(=NC2CCC3(CC2)CC3)[nH]n2ccc(/C=C/CC/C=C\\NC(=N)N)c12"]
["31739124","CSCCC(N=C(O)C(CC(C)C)N=C(O)OCc1ccccc1)C(O)=Nc1nnc(S)s1"]
["54136251","CC(C)=CCN1CCC(N=C(O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1"]
["10608986","CCN(CC)CCC[C@H](C)[NH+]=C(O)C[C@H](Cc1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12"]
["3782672","COc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(OCc3ccccc3)cc2)cc1"]
["191619015","CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cc(-c2ccccc2F)no1.COC(=O)C[C@H](C(=O)OCCl)C(C)C.COC(=O)C[C@H](C(=O)OCOC(=O)[C@H](O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cc(-c2ccccc2F)no1)C(C)C"]
["18055675","COc1ccc(OC)c([C@H]2SCCN2C(O)=Nc2cccc(C)c2)c1"]
["MCULE-4501768961","CCn1cc(C(O)=NCCC2CCN(C(=O)CC(F)(F)F)C2)c(C)n1"]
["93994905","O=C(O)[C@H](CCc1ccccc1)N=C(O)N=c1[nH]ncs1"]
["MCULE-4922251628","CC(C)n1nccc1-c1cc(F)c(C(=O)Nc2c(C#N)cnn2C)cc1F"]
["172746809","N.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F"]
["158244037","COC[C@@]1(C)CCN(S(=O)(=O)C2(C)CC2)C1"]
["MCULE-4019491097","CCc1ccc(C(CN=C(O)CCCOc2ccccc2C)N(C)C)cc1"]
["176219850","CCCC(CC)C(O)C(c1ccccc1)c1cc(-c2ccccc2)cnc1OC"]
["74785754","O=C1SC(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)C(=O)N1C[C@@H]1CCCN1"]
["42798758","Cc1ccc(C)c(CC(O)=NC(c2nnc3ccccn23)C(C)C)c1"]
["91797438","CCC(CC)N(CC(C)C)C(O)=NCCCC(C)C(=O)O"]
["132355303","COCCn1ccc(=NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)[nH]1"]
["MCULE-3516293053","CCCOc1ccc(C)cc1NC1=C(c2ccc(C)cc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O"]
["MCULE-7450846519","Cc1ccc(C2=C(Nc3ccc(Cl)cc3Cl)C(=O)N(CCc3ccccc3)C2=O)cc1"]
["MCULE-7961049449","COc1ccc(-c2cccc(F)c2C(O)=Nc2nnnn2C)cc1OC"]
["195706654","C1=CC2NC(c3ccccc3)=C(n3c4ccccc4c4c5ccccc5c5c6cccc7c8cc9ccccc9cc8n(c76)c5c43)N=C2N=C1"]
["198089270","CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C(CO)C1"]
["164787865","CC(Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1)c1ccccc1"]
["MCULE-4046487097","CC(C)OC(=O)c1cccc(N=C(O)c2cccc(NC(O)=NCCN3CCOCC3)c2)c1"]
["13114385","Cc1cc(C)c2[nH+]c(O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)cc2c1"]
["170243738","C/C=C(/C)C(=O)OC[C@H]1[C@@H](Cc2ccc(C(=O)OCc3ccccc3)cc2)CO[C@@H]1c1cc(OC)c(OC)c(OC)c1"]
["173840374","OC1(C(F)(F)Br)CC(c2ccccc2)=NO1"]
["175457776","C=CC(=C)[C@@H]1Nc2cc(F)cc3c(O)nnc(c23)[C@H]1c1ncnn1C"]
["54402153","C/C(Cl)=C/Cn1c(N/N=C\\C(Br)=C/c2ccccc2)nc2c1c(O)nc(=O)n2C"]
["156747007","O=C1[C@H]2CCCC[C@@H]2C(=O)N1CC(=O)N1CCOc2c(Cl)cccc21"]
["33786826","Cc1ccc(Nc2ncnc3ccc(C)cc23)c(O)c1"]
["115759390","NCc1cccc(CN=C(O)Nc2cccc(Br)c2)c1"]
["161320580","COc1ccc(C)cc1CCN=C(O)[C@@H]1CCCO[C@@H]1C"]
["MCULE-5524958177","Cc1ncc(-c2cccc(C(O)=NCC3CCN(C)CC3)c2)cn1"]
["173165092","CCCCSCNC(=N)Nc1nc(-c2ccccc2Oc2ccc(C)cc2C)cs1"]
["8313829","COc1ccc(OC)c(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1"]
["MCULE-3125328824","CC1CCN(C(=O)c2cccc(N=C(O)Nc3ccc(N4CCOCC4)nc3)c2)CC1"]
["173696062","C=C(O)C1=CN2C(=CC1=C)c1c3cccc(OC4CCNCC4)c3nn1CC2C(C)(C)C"]
["3149158","CCc1nnc2sc(-c3cccc(N=C(O)c4ccc(C)cc4Cl)c3)nn12"]
["MCULE-9109729337","Cn1cc(C(O)=Nc2ccc(-c3cccnc3F)cn2)ccc1=O"]
["174214879","COc1ccc(CNCC2CCCN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)C2)cn1"]
["76798584","COc1cc(C=CC(=O)OCC2OC(CO)(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1O"]
["42833215","NCCCCC(N=C(O)C1CCCN1C(=O)C(N)CCC(=O)O)C(O)=NC(CS)C(=O)O"]
["109112567","COC(=O)c1c(N=C(O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)sc(C)c1-c1ccc(F)cc1"]
["MCULE-6316106302","CC(NC1=C(c2ccc(F)cc2)C(=O)N(C2CCC3(CC2)OCCO3)C1=O)c1ccccc1"]
["123342547","Cc1noc(C)c1CN(C)C(=O)C(C)Oc1cccc(C=O)c1"]
["MCULE-1384478559","CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)C2c2ccc(Cl)cc2Cl)cc1"]
["162002003","CCCCCCCCC(C)/C(C)=N/N(C)C"]
["22868467","CCCCCC(O)/C=C/[C@H]1C2CC(CO2)C1C/C=C\\CCCC(O)=NCC(=O)OC"]
["5900423","N#CC1CCN(C(=O)c2cc(O)nc3ccccc23)CC1"]
["193436151","CC(N)COc1ccc(F)c(Cl)c1.Cl"]
["MCULE-2481586171","COc1nccc(-n2ncc(CO)c2C2CC2)c1F"]
["121965127","CC(C)Cc1noc(-c2cc(Cl)ccc2NC(O)=NC2CCCOCC2)n1"]
["138939190","Cc1ccc(Cl)cc1NC(O)=NCCOCCO"]
["141808431","COC(=O)C(C)(N=C(O)CCc1ccc(Cl)s1)C1CC1"]
["26885932","C=CCOc1cc(C#N)ccc1[N+](=O)[O-]"]
["97565642","Cc1cc(C)cc(N2C(=O)c3ccccc3[C@@H](C(=O)O)[C@H]2c2ccccc2)c1"]
["175171935","O=C(O)NC/C(=C\\F)COc1cnc(-c2ccsc2)nc1"]
["150190269","Cc1cc(N=Nc2cc(C)c(N=Nc3ccccc3S(=O)(=O)O)cc2OCCCS(=O)(=O)O)c(C)cc1N=Nc1cc(C)c(NN=C2C=Cc3cc(Nc4ccc(N)c(S(=O)(=O)O)c4)ccc3C2=O)cc1C"]
["75499008","CS(=O)(=O)c1ccc(N=c2[nH]c(Cl)cnc2C(N)=O)cc1Cl"]
["180376679","CCNC(O)N(C)/C(N)=C(/N)COC"]
["82086671","CCC(C)OC(=O)Oc1ccc(CC(N)(CCOC(=O)C(C)CC)C(=O)OC)cc1OC(=O)OC(C)CC"]
["18057344","COc1ccc(N2CCN([C@H](C)C(O)=NC(O)=N[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)CC2)cc1"]
["148786325","C1CCC2CC(CN2)OC1"]
["59299448","COC(=O)[C@@H]1C[C@]23C(=O)[C@]45C[C@@H](O)[C@@]2(C)[C@H](CCC2=C3[C@@H]1CC2)CN4C[C@H]5C"]
["111281773","CC1CCC(C)N(S(=O)(=O)c2cc(F)ccc2CCl)C1"]
["3890638","CC(C)[C@@](C)(C#N)N=C(O)CSc1nnc(C2CC2)n1C"]
["MCULE-3887008430","O=C(C1=C(O)C(=O)N(C2CCCCC2)C1c1ccncc1)c1ccc2c(c1)OCCO2"]
["182743796","[N-]=[N+]=Nc1c(-c2ccc3ccc4cccc5ccc2c3c45)ccc2c1Cc1ccccc1-2"]
["109197175","C[C@@H]1CN(c2ccc(N=C(O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)cn2)C[C@@H](C)O1"]
["63057528","CCC1(CC)CN(Cc2ccc(Br)cc2)C(C(C)C)CN1"]
["95264635","O=C(Cn1cnc(=NCc2cscn2)[nH]1)N1CCCCCC1"]
["148119019","CS(=O)(=O)C1(C(O)=NCCC(=O)N2CCCCCC2)CCNCC1"]
["11750192","CC(C)(C)c1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(OCc3ccccc3)c2)cc1"]
["20217737","CCOc1ccc(OCC(=O)N(CCCn2ccnc2)c2nc3c(Cl)cccc3s2)cc1"]
["70530184","O=C1C(C(=O)N2CCCCC2)CNC2CCC(S(=O)(=O)Nc3ccc4c(c3)OCCO4)CC12"]
["133410744","CC1CCN(C(=O)c2cc(OCC(F)F)ccn2)CC1n1ccnc1"]
["4043306","COc1cc(C#N)ccc1OCC(O)=Nc1ccccc1C(=N)O"]
["MCULE-7516893102","CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(=O)CC4)s2)CC1"]
["MCULE-1066003536","CCCCCCC(O)=NCc1ccc(OC(=O)c2cccc(OCC)c2)cc1"]
["MCULE-7067048812","COc1cc(F)c(F)cc1-c1ccccc1CCC(=O)Nc1ccc(Cn2cncn2)cc1"]
["113905131","C=CCCCCCC(NC)c1snnc1CCC"]
["2721134","COCCCN=C(O)/C(C#N)=C1\\N=C(N=C(O)c2cccc(Br)c2)c2ccccc21"]
["MCULE-3476798588","CC(C)COc1ccc(-c2ccc(CCC(O)=Nc3c(F)cccc3C#N)c(F)c2)cc1"]
["165456528","COC(=O)N1CCC(Nc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1"]
["184882972","CCCCc1nc2ccc(CCC(=CF)CN=C(O)OC(C)(C)C)cc2o1"]
["129719925","CN(C(=O)COC(=O)c1ccn(C2CCCC2)n1)C1CCCc2ccccc21"]
["200610570","COc1cccc(N=C(S)NN=C(O)c2c(C)nc3ccccc3c2C)c1"]
["157015548","C#CC(=O)[C@@H](O)C(C)C"]
["MCULE-8030834232","COC(=O)CN=C(O)CCN=C(O)C(CSCc1ccccc1)NC(=O)c1ccc(OC)cc1"]
["122951093","Cc1ccc(C(NCc2nc(C)cs2)c2cccc(S(C)(=O)=O)c2)cc1"]
["170794693","Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CN3CCCC[C@H]3C(=O)O)cc2Cl)cccc1-c1cccc(OCCCN2CCC3(COC3)C2)c1C"]
["172176394","Cc1ccc2c(N=C(O)[C@H]3C[C@@H]3C)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1"]
["150085142","[2H]C([2H])(CC(=O)O)c1ccc(O)cc1"]
["9171305","CCCC(O)=Nc1cccc(NC(=O)C(=O)N(C)CC(C)C)c1"]
["184139406","CCCn1c2ccccc2c2cc(-c3cccc4c3N(c3ccccc3)C3C=CC=CC43)ccc21"]
["200338072","C[C@H]1Nc2ncnc3c2cc(C2CCN(C(=O)CNc4cccc5c4C(=O)N(C4CCC(O)=NC4=O)C5)CC2)c(=O)n3CCCOCCCCN2CC(C2)CC(F)(F)c2cccc1c2"]
["21402567","COc1ccc(/C(C)=N/Nc2nc3c(c(O)nc(=O)n3C)n2CCc2ccccc2)cc1"]
["145955858","NCc1ccc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1"]
["175355500","CC(C)(C)OC(=O)c1ccc(C(C)(C)C)c(C(C)(C)C)c1C(=O)OC(C)(C)C"]
["125827448","N#CCCN(CC(F)(F)F)C(=O)c1ccc(F)c(Cl)c1"]
["88940079","CC(C)(C)c1nc2c([nH]1)C(CCN)CCC2"]
["128965242","Cc1cc(CSCc2ncc(-c3ccccc3)o2)on1"]
["122721905","C#CCSCCNC(=O)c1cc(C#N)c[nH]1"]
["127816388","CCOc1c(Cl)cc(CN=C(O)Cc2c(CC)noc2CC)cc1OC"]
["170684840","Fc1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)c2cccc(N(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccc(F)cc3F)c2)c(F)c1"]
["53053484","CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1nc2cc3c(cc2s1)OCO3"]
["23464838","Cc1cccc(-c2c[nH]c3c(SCC(O)=NCC4CCCO4)ncnc23)c1"]
["87461954","C=C(Cl)CN1CCCc2cc(C(=O)O)ccc21"]
["152976861","Cc1ccc2c(c1)OC(=C1C=CC(N=C(S)N=C(O)/C=C/c3ccc(Cl)cc3Cl)=CC1=O)N2"]
["48084211","CCN(CC)C(=O)c1cccc(N=C(O)CCNS(=O)(=O)c2ccc(C)cc2C)c1"]
["182333038","CCCC(Cl)(CCc1ccc(OC)c(OC)c1)N(C)C"]
["176246272","Cc1c(O)ncc2c(Br)cccc12"]
["192736934","FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.[Rb]"]
["118897216","CCN=C(NCCCOCC1CCOC1)NCCSc1ccc(F)cc1.I"]
["9140238","CCCC[C@@H](NC(=N)O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1"]
["197549646","CC(ON)c1cccc2cnccc12"]
["131291655","COCCC1(CN=C(O)c2cc3ccc(C)cc3nc2C)CCC1"]
["59184042","CC(C)(C)CC=C(C#N)c1ccc(Cl)cc1F"]
["47026820","CCCCCN1CC(CC(C)C)NCC12CCCC2"]
["127558471","O=S(=O)(Cc1ccon1)N1CCN(Cn2nc(Cl)c3ccccc32)CC1"]
["MCULE-8422332501","Cc1cnoc1C(=O)N1CCCN=C(O)C2CCN(C(=O)c3nc(C(F)(F)F)cs3)C(C2)c2ccccc2OCC1"]
["118533838","CN=C(NCCN(C(C)C)C(C)C)NCCS(=O)(=O)NCC1CCC1"]
["116633493","CN=C(NCC1CCN(CC(F)(F)F)C1)N1CCS(=O)(=O)C(C)(C)C1"]
["91311578","NCCCCC(N=C(O)C(Cc1cnc[nH]1)N=C(O)C(N)Cc1cnc[nH]1)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(Cc1cnc[nH]1)C(=O)O"]
["23417774","CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\\c3cccc(Cl)c3Cl)c(=O)n2C1c1ccc(OC)cc1OC"]
["80237886","COC(=O)c1cc2c(cc1C1=CC(CCN(C)Cl)CC3OC(C)(C)OC13)OCO2"]
["MCULE-9109344701","CCC(C)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]
["176193296","CCCCCCCCCC(=O)OC[C@H]1OC(O)[C@H](N=C(O)CCC)[C@@H](O)[C@@H]1O"]
["77504130","CC1=NC(=O)C2N=C(SCc3nc(-c4cccc(Cl)c4)oc3C)N(C)C2=N1"]
["178527605","C[C@@]12CCC3(CC3)C1C2"]
["69144987","c1ccc(-n2ncc(Cn3cncn3)n2)cc1"]
["140321245","CC1(C)COC(=O)[C@@H]1OC(=O)CSc1ccc2ccccc2c1"]
["172362511","CC(C)OP(=O)(COS(=O)(=O)Cc1ccccc1)OC(C)C"]
["119791211","CCc1cccc(C)c1N=C(O)C1CC(=O)N(CCOc2ccc(OC)cc2)C1"]
["3842278","CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(F)cc1)n2C"]
["156115330","N=c1nc(O)c2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2[nH]1"]
["22463667","Cc1ccn2c(NC(=O)c3ccc4ccccc4c3)c(-c3ccc(F)cc3)nc2c1"]
["MCULE-7733771572","COc1c(F)cccc1-c1nc2nccnc2s1"]
["153009570","C1=CC2c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccc7cc(-c8ccc9ccccc9c8)ccc7c6)c5c4)cc3C2C=C1"]
["MCULE-2092826582","CCCCN(C(=O)c1cccs1)c1ncc(-c2cccc(C(=O)N(C)C)c2)cn1"]
["163592904","Bn1c(=O)c2ccccc2n(C)c1=O"]
["164103862","c1cncc(-c2cccc(-n3c4c5ccccc5c5ccccc5c4n4c5ccccc5nc34)n2)c1"]
["CSSS14929142695","c1ccc(-c2cc(CSc3cc4ccccc4[nH]3)no2)cc1"]
["138234706","Cc1cc(CN=C(O)Nc2cnn(-c3ccccc3)c2)on1"]
["174805963","CN.COC(=O)c1cccc(C(=O)O)c1"]
["32489359","Fc1ccc(-c2nc3ccc(N4C[C@H]5C[C@H]4CN5Cc4ccccc4)nn3c2-c2ccncc2)cc1"]
["141508269","Cc1cncc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)c1"]
["46488547","CC1C(CSc2nnnn2-c2ccc(O)cc2)OC(c2cccc(N=C(O)Nc3ccc(Oc4ccccc4)cc3)c2)OC1c1ccc(CO)cc1"]
["60749066","OC(COc1ccc(F)cc1)=NCCCc1nc[nH]n1"]
["MCULE-5336423366","CC(C(O)=Nc1ccccc1Oc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O"]
["184494620","N=C(O)c1cn(C2CCCCC2)c2c(c1=O)C=NC(NCCN1CCOCC1)N2"]
["178816429","COc1cc(-c2oncc2C2=CCC(c3cccnc3)C=C2)cc(OC)c1OC"]
["15913293","Cn1cnnc1C1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC1"]
["104796702","C[C@H]1CCCC[C@@]1(Nc1ccccc1)C(=N)O"]
["50010040","CC1CCCCC1N(C)S(=O)(=O)c1cc[nH]c(=N)c1"]
["MCULE-4481816128","Cc1nc(N(C)C)cc(N2CCN(C)CC2)n1"]
["195062193","NC(CC1CC1[NH+]([O-])O)C(=O)O"]
["44342712","Cc1cc(C(=O)Nc2ccc(Br)c3cccnc23)nn1C"]
["162958152","CC1CC(C)N1C(=O)C1CC1(C)C"]
["33738277","COc1cccc(C(O)=NCCOc2ccc(-c3ccc4nc(C)c(-c5cnc(N)c(C(F)(F)F)c5)n4n3)cc2OC)c1"]
["181450330","CNCCON=C1CCN(c2ncc(-c3cccc(CN=[N+]=[N-])c3F)cn2)CC1"]
["76716601","CCCC(C)C1=CC2C(=O)C(C)=C(C(=O)[O-])N(C)C2=C2C(=O)C=C(C(=O)[O-])N=C12"]
["125765505","COc1ccc(C#N)cc1CSc1nnc(-c2ccccc2OC)n1N"]
["162719348","C[C@@]12CCCN[C@]1(C)CNC2"]
["173130219","CCOCc1c(CO)cc2n(c1=O)Cc1c-2nc2cc(F)c(C)c3c2c1C(N)CC3"]
["142826036","N#Cc1ccc(CN(CCC(=O)N2CCN(c3ccccn3)CC2)C2CC2)cc1"]
["130133419","OC(C=CSCc1ccco1)=NCC1CC1"]
["173304975","CC1(C)C2CCC1(C)C(C=Cc1ccccc1)C2"]
["43839801","COC(=O)c1c(NC(S)=Nc2ccc(F)cc2F)sc(C)c1C"]
["4683272","O=c1ccc2ccc(OC(O)=Nc3ccccc3)cc2o1"]
["MCULE-3660847806","Cc1ccc(-c2cnn(C)c2N=C(O)CN2CCCCC2)c(F)c1"]
["96811296","O=C1CCC[C@H]1[C@@H](/C=C/c1ccccc1)c1ccccc1"]
["20818088","Cc1c2c(c(O)c3c([O-])cccc13)C(=O)[C@]1(O)C(=O)C(C(=N)O)=C(O)[C@H](N(C)C)[C@@H]1C2"]
["MCULE-6528023210","O=C1C(NCc2cccs2)=C(c2ccc(-n3cccc3)cc2)C(=O)N1C1CCCCC1"]
["157645648","N=C(O)[C@H]1CCCCN1S(=O)(=O)c1cc(F)cc(Cl)c1"]
["151221676","Cc1cc(C)cc(N=C(O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@@H]3C2=O)c1"]
["157818108","CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@H](O)C2)C1"]
["MCULE-9937296719","COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3cncc(C#N)c3)c(OC)c1)CC2"]
["112739759","CCOC1CC(NCC2(C)CCCCN2)C1(C)C"]
["135218","CCC1CCN(C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C(C(=O)O)C1"]
["126201383","CC1COCC(C)N1C(=O)c1cccc(-n2cnnn2)c1"]
["12163694","Cc1cc(C)n(CC[NH2+]Cc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)n1"]