tox21_valid.csv

smiles,selfies,target
N#C[C@@H]1CC(F)(F)CN1C(=O)CNC1CC2CCC(C1)N2c1ncccn1,[N][#C][C@@H1][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1],0
CN(C)C(=O)NC1(c2ccccc2)CCN(CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring2][O][C][C][C][C@@][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring2][Branch1],0
CSc1nnc(C(C)(C)C)c(=O)n1N,[C][S][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][O][N],0
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,[C][=C][/C][=Branch2][Ring2][Branch1][=C][\C][=C][/C][C][C][C@][Branch1][C][C][C@@H1][Branch1][S][C@H1][Branch1][C][C][/C][=C][/C@@H1][Branch1][C][O][C][C][C][Ring1][Ring1][C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][#C][C][C@@H1][Branch1][C][O][C][C@@H1][Ring2][Ring1][N][O],0
CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O,[C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O],0
C[C@@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,[C][C@@H1][Branch1][#C][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][N][C][=Branch1][C][=O][O],0
Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCCN(C)C)cc12,[C][C][=C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2][Ring1][=C],0
CC1=C(/C=C/C(C)=C/C=C\C(C)=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1,[C][C][=C][Branch2][Ring1][#C][/C][=C][/C][Branch1][C][C][=C][/C][=C][\C][Branch1][C][C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][N],0
Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1,[C][C][=C][C][=C][Branch2][Ring1][Branch1][/N][=C][/N][Branch1][C][C][/C][=N][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1],0
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1,[C][Si][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][O][Ring1][O],0
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,[C][Si][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring1],0
COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O,[C][O][C][=C][C][=C][Branch2][Branch1][=N][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch2][Ring2][#Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][=C][Ring2][Ring1][=N][O][C][=C][Ring2][Ring2][Branch2][O],0
CCC1(c2ccccc2)C(=O)N=C([O-])NC1=O,[C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][=C][Branch1][C][O-1][N][C][Ring1][=C][=O],0
c1ccc(-c2cccc(-c3ccccc3)c2)cc1,[C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][C],0
O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21,[O][=C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][P][Ring2][Ring1][Branch1],0
O=C(N=NC(=O)OCc1ccccc1)OCc1ccccc1,[O][=C][Branch1][P][N][=N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
ClCc1ccccc1.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46,[Cl][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][C][C@@H1][O][C][C][=C][C][N][C][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C@H1][Ring1][=Branch2][C@H1][Ring2][Ring1][Ring1][C@H1][Ring1][S][C][C@H1][Ring1][S][Ring1][=N],0
Cc1cc(C)c(NC(=O)C[C@H](CC(=O)[O-])c2cccc3ccccc23)c(C(=O)N2CCC3(CCCC3)CC2)c1,[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][#Branch2][=C][Ring2][Ring2][=Branch1],0
CC(CNC1CCCCC1)OC(=O)c1ccccc1,[C][C][Branch1][O][C][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC1CCC2CC1C2(C)C,[C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Ring2][Branch1][C][C][C],0
C1CN(SSN2CCOCC2)CCO1,[C][C][N][Branch1][O][S][S][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][Ring1][=C],0
COC(=O)C1CC(=O)C(C(=O)OC)CC1=O,[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][O][=O],0
CNCCCC12CCC(c3ccccc31)c1ccccc12,[C][N][C][C][C][C][C][C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S],0
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12,[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C][C][C@][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C@@H1][Ring1][N][Ring1][Branch2],0
CC1(C)COP(Oc2ccccc2)OC1,[C][C][Branch1][C][C][C][O][P][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C],0
Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,[C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2],0
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)OC)C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1,[C][N][C][=C][C][=C][Branch2][=Branch2][#Branch2][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch2][Ring2][N][C][C][Branch2][Ring1][Ring2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@@H1][Ring1][=Branch2][O][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring2][Branch1][=C][C][O][Ring2][Ring2][=Branch2][C][=C][Ring2][=Branch1][#C],0
CO[C@H]1C[C@H](O[C@@H]2C(C)=CC[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OCC(=CC=C[C@@H]2C)[C@]43O)O[C@@H](C)[C@@H]1O,[C][O][C@H1][C][C@H1][Branch2][=Branch1][S][O][C@@H1][C][Branch1][C][C][=C][C][C@@H1][C][C@@H1][Branch2][Ring1][=C][C][C@][Branch2][Ring1][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][=N][O][Ring2][Ring1][C][O][C][=Branch1][C][=O][C@@H1][C][=C][Branch1][C][C][/C][=Branch1][Ring1][=N][/O][C@H1][O][C][C][=Branch1][=Branch2][=C][C][=C][C@@H1][Ring2][Ring2][=Branch2][C][C@][Ring1][#Branch2][Ring1][P][O][O][C@@H1][Branch1][C][C][C@@H1][Ring2][Branch1][Ring2][O],0
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][=N][Ring2][Ring1][Branch1],0
CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1,[C][N][C][C][C][N][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1],0
Nc1nnnn1-c1ccccc1,[N][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1,[C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][Ring2],0
Cc1cccc(C)c1NC(=O)CN1CCCC1=O,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][=O],0
CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,[C][C][Branch1][C][C][C][=C][C][=C][O][C][=N][C][Branch1][C][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1],0
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,[O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring1][#C],0
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=CC23CCCN2CCc2cc4c(cc2[C@H]13)OCO4,[C][O][C][=Branch1][C][=O][C][C@][Branch1][C][O][Branch1][N][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C@@H1][C][Branch1][Ring1][O][C][=C][C][C][C][C][N][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][Ring1][Ring1][=C][O][C][O][Ring1][Branch2],1
NC(=O)N1c2ccccc2C=Cc2ccccc21,[N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C],0
O=C(OCCOCCOCCOC(=O)c1ccccc1)c1ccccc1,[O][=C][Branch2][Ring1][#Branch1][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CN(C)CC/C=C1/c2ccccc2CSc2ccccc21,[C][N][Branch1][C][C][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C],1
CN1CCC(OC(c2ccccc2)c2ccccc2)CC1,[C][N][C][C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2],0
CCCCOc1ccc(OCCCN2CCOCC2)cc1,[C][C][C][C][O][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S],0
N=C(N)N1CCc2ccccc2C1.N=C(N)N1CCc2ccccc2C1,[N][=C][Branch1][C][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2].[N][=C][Branch1][C][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2],0
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F,[O][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][=C][Ring2][Ring1][C][F],0
CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21,[C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][O],0
C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)/C(=C\C)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O,[C][=C][Branch2][=C][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=C][N][C][=Branch1][C][=O][C][=C][S][C][Branch2][N][S][C][=N][C][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][=N][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][O][N][C][=Branch1][C][=O][C][C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][/C][=Branch1][Ring1][=C][\C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Ring2][Ring2][P][Branch1][=Branch1][C][C][Ring2][Branch1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][C][C][C][C][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][O][C][=C][Branch1][=Branch2][N][=C][Ring1][=Branch2][C][Ring1][=N][O][C][=Branch1][C][=O][O][C][Ring2][#Branch1][#Branch1][C][=N][Ring2][Branch2][Branch1][C][Branch1][C][N][=O],1
CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n21,[C][C][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][N][Ring2][Ring1][Branch1][Ring2][Ring1][#Branch1],0
CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1,[C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1],0
CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1,[C][N][Branch1][C][C][C@@H1][Branch2][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(C)C[C@@H]1[C@H](c2ccccc2)OC(=O)N1CCCN1CCCCCC1,[C][C][Branch1][C][C][C][C@@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][N][C][C][C][N][C][C][C][C][C][C][Ring1][#Branch1],0
CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)cc1,[C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch2],0
C[C@@H](Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)C(=O)O,[C][C@@H1][Branch2][Ring2][#C][O][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O],0
O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1,[O][=C][Branch1][=C][N][C@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=C][C][C][=C][O][C][=Ring1][Branch1][C][=N][Ring1][=Branch2],0
COCc1nnc(-c2ccc[n+]([O-])c2)n1-c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12,[C][O][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][N+1][Branch1][C][O-1][=C][Ring1][#Branch1][N][Ring1][N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][Ring1][=C][=Ring1][Branch2],0
COCCOC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2,[C][O][C][C][O][C][C@H1][Branch2][Ring1][S][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][C][C][C][C][Ring1][P][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1],0
CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1,[C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][P][C][=N][C][=C][Branch1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1],0
CN(C[C@@H](CC[N+]12CCC(C3CCCCC3)(CC1)CC2)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,[C][N][Branch2][Ring2][=C][C][C@@H1][Branch2][Ring1][O][C][C][N+1][C][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][Branch1][Branch1][C][C][Ring1][N][C][C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C],0
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[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)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Ring2][S][Branch1][C][C][O],0
COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1,[C][O][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][C][/C][=C][/C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0
CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,[C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1],0
C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCCC1,[C][N+1][Branch2][Ring1][=N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][Branch2],0
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F,[C][C@@H1][Branch1][#Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][F][C@][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],0
Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,[C][C][O][C][=Branch1][C][=O][O][C][=Ring1][=Branch1][C][N][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][Branch1][C][C][S][Ring1][Branch1][C][C][Ring2][Ring1][Branch2],0
COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2,[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Ring1][=Branch2][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2],1
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1,[C][C][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][S][Ring1][P][C][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][NH1][Ring2][Ring1][#C],1
CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,[C][C][C][C][C][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=Branch1][=Ring1][#Branch2],0
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,[C][C][=N][C][Branch2][Ring1][=N][N][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring1][S][=C][C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][=N][Ring2][Ring1][S],0
Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1,[N][C][=N][C][=Branch1][C][=O][C][C][Branch2][Ring2][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][C][=C][NH1][C][=Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][=C],0
CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1,[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][/C][Ring1][#Branch2][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O,[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O],0
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1,[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0
CC1=Nc2ccccc2C1(C)C,[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch1][C][C][C],0
O=c1c(O)c(O)c1=O,[O][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Ring1][=Branch1][=O],0
c1cc2c3c(c1)ccc1cccc(c13)C2,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][O][C][Ring1][=N],0
C[C@@H]1C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1,[C][C@@H1][C][C@@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring1],1
Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(C)(C)O,[C][C][O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Ring1][P][C][=Ring2][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][O],0
Cc1[nH]cnc1C[C@H]1CCc2c(C)c3ccccc3n2C1=O,[C][C][NH1][C][=N][C][=Ring1][Branch1][C][C@H1][C][C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][Ring1][=C][=O],0
COc1cc(C=O)cc2c1[C@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@@H]1N2C(C)=O,[C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][C@H1][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][N][Ring1][#C][C][C@H1][C@@H1][Ring1][#Branch2][N][Ring1][Ring1][C][Branch1][C][C][=O],1
O=C1c2ccccc2C(=O)N1CCc1noc(-c2ccc(CN3CCCCCC3)s2)n1,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][=N][O][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][O][C][N][C][C][C][C][C][C][Ring1][#Branch1][S][Ring1][=N][=N][Ring2][Ring1][C],0
Cc1ccc2oc(CN(Cc3ccccc3)C(=O)Nc3c(F)cc(F)cc3F)c(-c3ccc(Cl)cc3)c2c1,[C][C][=C][C][=C][O][C][Branch2][Ring2][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][P][=C][Ring2][Ring2][Branch1],0
CC(C)(C)c1csc(-c2cc3cc(OCc4ccccc4CC(=O)O)ccc3o2)n1,[C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch2][Ring2][C][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1][=N][Ring2][Ring1][#Branch2],0
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,[O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O],0
C[C@@H]1CC2(OC3C[C@@]4(C)C5=CC[C@H]6C(C)(C)C(O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)C31)OC(O)C1(C)OC21,[C][C@@H1][C][C][Branch2][=Branch1][Ring1][O][C][C][C@@][Branch1][C][C][C][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][C][C@@][Ring2][Ring1][C][C][C@@][Ring2][Ring1][#Branch1][Ring1][Ring1][C][C][C@][Ring2][Ring1][N][Branch1][C][C][C][Ring2][Ring1][S][Ring2][Ring2][Ring2][O][C][Branch1][C][O][C][Branch1][C][C][O][C][Ring2][Ring2][=Branch2][Ring1][Ring2],0
O=C1CCCN1C1CCCCC1,[O][=C][C][C][C][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],0
COc1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2OC)cc1,[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][/N][=N][/C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][/N][=N][/C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C][C][=C][Ring2][Ring1][=N],0
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-],[C][C][Branch1][C][C][S][C@@H1][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C@H1][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O-1],0
CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1,[C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
C[N+]1([O-])CCOCC1,[C][N+1][Branch1][C][O-1][C][C][O][C][C][Ring1][#Branch1],0
C1N2CN3CN1CN(C2)C3,[C][N][C][N][C][N][Ring1][=Branch1][C][N][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][#Branch1],0
CCC(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,[C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N],0
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1,[C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring2][C][O][C][C][C][N][Branch1][#C][C][C][N][N][=N][N][Branch1][Ring1][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][Ring1],0
C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,[C][C@H1][C][C][C@][Branch1][Branch1][N][C][Ring1][=Branch1][O][C@H1][C][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch2][=Branch1][=N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][O][C][C][C@][Ring2][Ring2][P][Branch1][C][C][C@H1][Ring2][Branch1][=Branch1][C][C][C@][Ring2][Branch1][#Branch2][Branch1][C][C][C@H1][Ring2][Branch1][=C][C@@H1][Ring2][=Branch1][Ring1][C],0
N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1,[N][=C][Branch1][#C][N][N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,[C][C][=C][C][=C][N][=C][Branch1][C][N][NH1][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Ring1][N][S][C][=C][C][=N][C][=C][Ring1][=Branch1],1
Clc1cccc(C(c2ccc3nc[nH]c3c2)n2ccnc2)c1,[Cl][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][=C][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring2][Ring1][Branch1],0
CN1c2c(O)nc(N)nc2NCC1CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)[O-])cc1,[C][N][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][N][C][C][Ring1][N][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][C],0
O=c1[nH]ncc2ccccc12,[O][=C][NH1][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0
c1cc(N(CC2CO2)CC2CO2)ccc1OCC1CO1,[C][=C][C][Branch1][S][N][Branch1][#Branch1][C][C][C][O][Ring1][Ring1][C][C][C][O][Ring1][Ring1][=C][C][=C][Ring1][#C][O][C][C][C][O][Ring1][Ring1],1
CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,[C][C][O][C][=N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][N][Ring2][Ring1][Branch2][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][P],0
CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1,[C][N][C][C][C][=Branch2][Ring1][Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1],0
C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1,[C][C@H1][C][C][C][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][=Branch1],1
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC,[C][C][C][C@H1][Branch2][Ring1][=C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][N][C][=Branch1][C][=O][O][C][C],0
CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2,[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1],0
C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12,[C][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C@][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@@H1][Ring1][#C][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][#C][Ring2][Ring1][Branch1],0
O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,[O][=C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][N][Ring1][N][N][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2],0
CCOc1nc(C(Cl)(Cl)Cl)ns1,[C][C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][S][Ring1][=Branch2],0
NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)cc1,[N][C][=Branch1][C][=O][C][=C][C][=N+1][Branch2][Ring2][Branch2][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C@H1][Ring1][=C][S][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N],0
Clc1cccc(SC2CCNCC2)n1,[Cl][C][=C][C][=C][C][Branch1][#Branch2][S][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring1][=N],0
CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21,[C][N][C][=Branch1][C][=O][C][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][Ring2][Ring1][#Branch1],0
O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1,[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2],0
NC1=NC(=O)N2CC12,[N][C][=N][C][=Branch1][C][=O][N][C][C][Ring1][#Branch1][Ring1][Ring1],0
COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1,[C][O][C][=C][C][=C][Branch1][O][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][=C][Ring1][N][O][C][C][C][C][C][Ring1][Branch1],0
c1cncc([C@@H]2CCCCN2)c1,[C][=C][N][=C][C][Branch1][=Branch2][C@@H1][C][C][C][C][N][Ring1][=Branch1][=C][Ring1][N],0
Cc1ccc(CCn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1,[C][C][=C][C][=C][Branch2][Ring1][=C][C][C][N][C][=C][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][N][Branch1][C][C][C][C][Ring1][=C][C][=N][Ring2][Ring1][#Branch1],0
CCCCCCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1,[C][C][C][C][C][C][O][C][=Branch1][C][=O][/N][=C][Branch1][C][/N][C][=C][C][=C][Branch2][Ring2][=C][N][C][C][=N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][C][C][=C][Ring2][Ring2][C],0
NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C][=O],0
O=C(O)Cn1cnnn1,[O][=C][Branch1][C][O][C][N][C][=N][N][=N][Ring1][Branch1],0
CC1(C)OC(=O)Nc2ccc(Br)cc21,[C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][=N],0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccncc1,[C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],0
COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1,[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][N][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1],0
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,[C][C][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][C][C][C][N][C][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring1][=Branch2][C][Ring1][=C][=O],0
Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1,[C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=Branch2][=O][=C][C][=C][Ring1][S][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N],0
Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1,[C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][N][C][C][C][Ring1][Ring1],0
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1,[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][S][C][=C][S][Ring1][Branch1],0
COC(=O)c1ccccc1C(=O)c1ccc(OCCN2CCCCC2)cc1,[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C],0
C[C@@H]1CCN(C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NC[C@H](C)C3)[C@@H](C(=O)O)C1,[C][C@@H1][C][C][N][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C@H1][Branch1][C][C][C][Ring1][#Branch1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring2][C],0
C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12,[C][C@][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@@H1][C][C@@H1][Ring1][Ring1][C@H1][C@@H1][C@@H1][C][C@@H1][Ring1][Ring1][C@@][Branch1][#Branch2][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][C@@][Ring1][O][Branch1][C][C][C][C][C@@H1][Ring1][S][Ring2][Ring1][#Branch2],0
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1,[C][N][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1],0
CCC(=O)O.CCC(=O)O.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,[C][C][C][=Branch1][C][=O][O].[C][C][C][=Branch1][C][=O][O].[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O],0
NC1CCCCC1.NC1CCCCC1.O=P(O)(O)OC[C@H](O)CO,[N][C][C][C][C][C][C][Ring1][=Branch1].[N][C][C][C][C][C][C][Ring1][=Branch1].[O][=P][Branch1][C][O][Branch1][C][O][O][C][C@H1][Branch1][C][O][C][O],0
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1,[C][N][C][C][N][Branch2][Ring2][C][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][C][Ring1][#Branch2][=C][Ring1][#C][O][C][N][Ring1][=Branch1][C][C][C][Ring2][Ring1][=Branch2],0
O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1,[O][=C][C][N][Branch1][P][N][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][=Branch1][C][=O][N][Ring1][S],0
O=C(OCc1ccccc1)c1cccnc1,[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],0
O=c1c(-c2ccccc2)c1-c1ccccc1,[O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],1
S=C1NCCN1,[S][=C][N][C][C][N][Ring1][Branch1],0
c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1,[C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1],0
CCOc1cc([N+](=O)[O-])c(OCC)cc1N1CCOCC1,[C][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1],0
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][Ring1][#Branch2][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2],0
O=P(c1ccccc1)(c1ccccc1)c1ccccc1,[O][=P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
C[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3C=CC(=O)O1)C[C@H](O)[C@H]2C(=O)O,[C][C@@H1][C][C][=C][C][=C][C][=C][C][=C][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@@H1][Ring1][=Branch2][O][C][C@@H1][O][C@][Branch1][C][O][Branch2][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C][C@H1][O][C@@H1][Ring1][Ring1][C][=C][C][=Branch1][C][=O][O][Ring2][Ring2][#Branch1][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O],0
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,[C][C][C@@H1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][N][=C][N][Ring1][Branch1][C],0
COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1,[C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][N][=C][N][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1],1
O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl,[O][=C][Branch1][=Branch2][N][O][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][Cl],1
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21,[C][N][C][=N][C][=C][Branch1][C][F][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][O][C][C][O][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2],0
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)C2,[C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][Branch1][S][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][Branch2][C][C@@H1][Branch1][C][C][C@][Branch1][C][C][Branch1][C][O][C][Ring2][Ring1][#Branch2],0
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,[C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C][C@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],0
NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,[N][C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][C][=C][N][C][=Branch1][C][=O][NH1][N][=C][Ring1][=Branch1][C][=Ring1][#Branch2][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][C][C][C][Ring2][Ring1][=C],0
CC1C(=O)CC2C3(C)CCC2(C(C)C(=O)O)C(=O)C13,[C][C][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][C][Ring1][=Branch1][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=N],0
COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,[C][O][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][Ring1][=C][=O],1
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(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](C=CC(C)(C)[C@]1(O)O2)O4)O3,[C][C][C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C@H1][/C][=Branch1][Branch2][=C][/C][=Branch1][C][=O][O][C][C][C@H1][C][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][O][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][C@@H1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C@][Branch1][C][O][Branch2][Ring2][O][C][C@@H1][C][/C][=Branch1][Branch2][=C][/C][=Branch1][C][=O][O][C][C][C@H1][Branch2][Ring1][Branch1][C][=C][C][Branch1][C][C][Branch1][C][C][C@][Ring2][Branch1][C][Branch1][C][O][O][Ring2][Ring2][N][O][Ring2][Ring1][Ring1][O][Ring2][Ring1][P],0
COc1ccccc1N1CCN(CC(O)COc2cc(OC)c(OC)c(OC)c2)CC1,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][N][C][C][Branch1][C][O][C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][Ring2][Ring1][#Branch1],0
Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2,[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][#C],0
c1csc(SSc2cccs2)c1,[C][=C][S][C][Branch1][#Branch2][S][S][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][N],0
O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1,[O][=C][N][C][=Branch1][C][=O][C@H1][C@@H1][Ring1][=Branch1][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1],0
OC(C#CCN1CCCC1)(c1ccccc1)c1ccccc1,[O][C][Branch1][O][C][#C][C][N][C][C][C][C][Ring1][Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch2],0
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21,[O][=C][Branch2][Ring1][N][C][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C],0
NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O,[N][C][C][C][C@H1][Branch1][C][N][C][C][=Branch1][C][=O][N][C@H1][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][N][=C][Branch1][C][N][N][Ring1][Branch2][N][C][=Branch1][C][=O][/C][=Branch1][Branch2][=C][/N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][Ring2][Ring2][Branch1][=O],0
CCC(C)(C)C(=O)OC1=C(c2cc(Cl)cc(Cl)c2)C(=O)OC12CCCCC2,[C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Ring1][=C][C][C][C][C][C][Ring1][=Branch1],1
Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1,[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][P][C][=C][Branch1][#C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][C][Ring1][P][=O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2],0
Cn1nnc2c(C(N)=O)ncn2c1=O,[C][N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][Ring1][N][=O],0
CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O,[C][C][N][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][C][Ring1][P][=O],0
CC1C=[C-]C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn+],[C][C][C][=C-1][C][=C][Ring1][Branch1].[C-1][#O+1].[C-1][#O+1].[C-1][#O+1].[Mn+1],0
COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1,[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N-1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][=Branch2],0
CCN(CC)c1cc(C)nc2ncnn12,[C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][C][C][=N][C][=N][C][=N][N][Ring1][#Branch2][Ring1][Branch1],0
CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,[C][C][C][=C][Branch1][C][C][NH1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C],0
C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69,[C][=C][C][N@@+1][C][C][C@@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C@H1][C][C@H1][C@@][Branch2][Ring1][C][C][C][N@@+1][Ring1][Branch1][Branch1][Ring2][C][C][=C][C][/C][Ring1][N][=C][/C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][C][C][=C][Branch2][Ring1][=Branch1][C@@H1][Branch1][=Branch2][C][C@@H1][Ring2][Ring2][Branch1][Ring2][Ring2][Branch2][/C][=Branch1][Ring2][=C][\C][O][C][Ring2][Ring2][=N][C@H1][Ring2][Ring2][Ring2][Ring2][Ring2][O][C@@H1][Ring2][Ring2][Ring1][Ring2][Ring1][#C],0
Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,[Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1],0
N#Cc1ccc(C2CCCc3cncn32)cc1,[N][#C][C][=C][C][=C][Branch1][=C][C][C][C][C][C][=C][N][=C][N][Ring1][Branch1][Ring1][=Branch2][C][=C][Ring1][#C],0
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1,[C][O][N][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][S][C@H1][Ring1][P][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1],0
C[n+]1ccn(Cc2ccccc2)c1,[C][N+1][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N],0
CC1(C)SC(C)(C)SC(C)(C)S1,[C][C][Branch1][C][C][S][C][Branch1][C][C][Branch1][C][C][S][C][Branch1][C][C][Branch1][C][C][S][Ring1][O],0
CCCN(C1CCN(C(=O)C2CCNCC2)CC1)[C@@H]1CCc2ccc(OC)cc2C1,[C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][N][C][C][Ring1][=Branch1][C][C][Ring1][=C][C@@H1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N],0
CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnccn2)cc1Cl,[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C@@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][Cl],0
Cn1c(=O)cc(Oc2ccc(F)cc2F)c2cnc(NCC(C)(C)O)nc21,[C][N][C][=Branch1][C][=O][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][N][=C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][O][N][=C][Ring1][N][Ring2][Ring1][#Branch2],0
O=C(CCCCCCCCc1cccnc1)N1CCC(C=C(c2ccccc2)c2ccccc2)CC1,[O][=C][Branch1][P][C][C][C][C][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2],0
Cc1cc(F)ccc1-c1cc(N2CC[C@@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][=N][N][C][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][C][O][=N][C][=C][Ring1][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C],0
O=C(O)c1cccc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)c1,[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][=C][=C][Ring2][Ring1][N],0
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C,[C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][Ring1][S][C],0
Cc1c(O)c(=O)ccn1C,[C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][N][Ring1][Branch2][C],0
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,[C][C][=C][C][Branch1][P][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][Cl][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][C][Branch1][C][I][=C][Ring1][Branch2][O],1
OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,[O][C][C][N][Branch1][Ring2][C][C][O][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][N][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][=N],1
CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O)C(C)C,[C][C][=Branch1][C][=O][S][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring1][=Branch2][C][Ring2][Ring1][C][=O][C][Branch1][C][C][C],0
O=C([O-])C[C@H](O)CC(O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1,[O][=C][Branch1][C][O-1][C][C@H1][Branch1][C][O][C][C][Branch1][C][O][/C][=C][/C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[O][=C][Branch1][C][O-1][C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][/C][=C][/C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0
O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1,[O][=C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C],0
CCOP(=O)(N=C1SCCS1)OCC,[C][C][O][P][=Branch1][C][=O][Branch1][=Branch2][N][=C][S][C][C][S][Ring1][Branch1][O][C][C],0
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1,[C][N][C][C][C@H1][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1],0
Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@@H](CO)C3)c2n1,[N][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][N][=C][N][Branch1][N][C@@H1][C][=C][C@@H1][Branch1][Ring1][C][O][C][Ring1][#Branch1][C][Ring1][N][=N][Ring2][Ring1][Ring2],0
C=C1[C@H](CO)[C@@H](O)C[C@@H]1n1cnc2c(=O)[nH]c(N)nc21,[C][=C][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][C@@H1][Ring1][Branch2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O],0
COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(CN4[C@H](C)CCC[C@@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1,[C][O][C][=C][C][=C][C][=C][Branch2][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch2][Ring2][S][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][C][N][C@H1][Branch1][C][C][C][C][C][C@@H1][Ring1][#Branch1][C][C][=C][Ring1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][Ring2][Ring2][S][=C][Ring2][Branch1][Ring2],0
O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1,[O][=C][C][C][C@@H1][Branch1][P][C][=Branch1][C][=O][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][N][Ring1][#C],0
CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C,[C][C][C][=Branch1][C][=O][O][C][Branch2][Ring2][#C][O][P][=Branch1][C][=O][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C@H1][Ring1][O][C][=Branch1][C][=O][O-1][C][Branch1][C][C][C],0
Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12,[C][C][=C][C][=C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=N][N][=N][N-1][Ring1][Branch1][=C][N][=C][Ring1][S][Ring1][N],0
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O,[C][N][C@H1][C][C@@H1][Branch1][C][N][C@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][O][C][Branch1][#Branch1][O][C@H1][Ring1][N][Ring1][Branch1][O][C@H1][Branch1][#Branch1][C][Branch1][C][N][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=C][O][C@@H1][Ring2][Ring1][P][O],0
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,[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][N][=C][Branch1][C][C][O][C@@H1][Ring1][=Branch1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@@][Ring1][P][Ring2][Ring1][Branch2][C],0
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][O][C][C][N][N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl].[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],1
O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1,[O][=C][Branch2][Branch1][C][O][C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],0
C(=NC1CCCCC1)=NC1CCCCC1,[C][=Branch1][#Branch2][=N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][C][C][C][C][C][Ring1][=Branch1],0
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0
O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,[O][=C][Branch1][P][C][C][N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC1=CC[C@H](CC=O)C1(C)C,[C][C][=C][C][C@H1][Branch1][Ring2][C][C][=O][C][Ring1][Branch2][Branch1][C][C][C],0
Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,[C][C][=C][N][Branch1][N][C@H1][C][=C][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring1][=C][=O],0
COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1,[C][O][C][=C][C][=Branch1][C][=O][O][C@@H1][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C],0
COc1ccc(C(O)(c2cncnc2)C2CC2)cc1,[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][P],0
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)C(C)OC(=O)[C@H](c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O,[C][C][C@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch1][=Branch2][=O],0
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC2OC2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O,[C][O][C@@H1][C@@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][S][O][C@H1][C][C@@][Branch1][C][C][Branch1][C][O][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][Ring1][S][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring2][Ring1][O][O][C@@H1][Branch1][Ring2][C][C][=O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][O][C][Ring1][Ring1][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][Ring2][Branch1][Branch1][O][C][Branch1][C][C][=O],0
CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21,[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch2],0
COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,[C][O][C][=C][C][Branch2][Ring1][=N][C][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C],0
C1CCN(CN2CCCCC2)CC1,[C][C][C][N][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N],0
O=C1[N-]S(=O)(=O)c2ccccc21.O=C1[N-]S(=O)(=O)c2ccccc21,[O][=C][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O].[O][=C][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],0
Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1,[N][C][=C][C][=C][C][=C][C][=C][C][Branch1][C][N][=C][C][Ring1][#Branch1][=N][C][Ring1][O][=C][Ring1][#C].[N][C][=C][C][=C][C][=C][C][=C][C][Branch1][C][N][=C][C][Ring1][#Branch1][=N][C][Ring1][O][=C][Ring1][#C],1
NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][C][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=O][C][=C][Ring1][=C],0
O=C1C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1,[O][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2],1
Nc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)[O-])cc5cc(S(=O)(=O)[O-])c(/N=N/c6ccccc6)c(O)c5c4N)cc3)cc2)c(N)c1,[N][C][=C][C][=C][Branch2][=Branch1][P][/N][=N][/C][=C][C][=C][Branch2][=Branch1][Ring1][C][=C][C][=C][Branch2][Branch1][#Branch1][/N][=N][/C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Branch1][O][/N][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O][N][C][=C][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#Branch2][C][Branch1][C][N][=C][Ring2][Branch1][Ring1],0
CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O,[C][C][Branch1][C][C][C][=C][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O],0
Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2,[C][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][=C],0
N=C(N)NCC1COC2(CCCCC2)O1.N=C(N)NCC1COC2(CCCCC2)O1,[N][=C][Branch1][C][N][N][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#Branch2].[N][=C][Branch1][C][N][N][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#Branch2],0
CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1,[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Ring1][Branch2][N][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2],0
CCCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1,[C][C][C][O][C][/C][=Branch2][Ring1][Branch1][=N][\C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][=C][N][=C][Ring1][Branch1],0
CN(C)CCCOC1(Cc2ccccc2)CCCCCC1,[C][N][Branch1][C][C][C][C][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=C],0
Oc1ncnc2[nH]ncc12,[O][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1],0
CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21,[C][C][N+1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1],1
O=C(NCCc1c[nH]c2ccccc12)c1cccnc1,[O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],0
CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][N][C][C][O][Ring1][=Branch1],0
CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,[C][N][C][C][N][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch2],0
NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3c[nH]nn3)CS[C@H]12)c1ccc(O)cc1,[N][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][#Branch2][C][S][C][=C][NH1][N][=N][Ring1][Branch1][C][S][C@H1][Ring2][Ring1][Ring1][Ring1][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0
C=C1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O,[C][=C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O],0
CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,[C][C][N][Branch1][Ring2][C][C][O][C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C],0
COc1cc(/C=C/C(=O)O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)ccc1O,[C][O][C][=C][C][Branch2][Branch1][#C][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][C][C@][C][C@][Ring1][Ring1][C][C][C@][Branch1][C][C][C@@H1][Branch1][=N][C@H1][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][C][C@@][Ring1][=C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring1][C][C][C@H1][Ring2][Ring1][Branch2][C][Ring2][Ring1][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring2][=Branch2][O],1
O=[N+]([O-])c1ccc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c([N+](=O)[O-])c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#C][N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][P][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][O],0
CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=C][O][C][O][Ring1][#Branch1],0
O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1,[O][=C][O][C][C][N][Ring1][Branch1][/N][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2],0
c1coc(-c2nc3ccccc3[nH]2)c1,[C][=C][O][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][=C],0
ON=C1C=CC(=NO)C=C1,[O][N][=C][C][=C][C][=Branch1][Ring1][=N][O][C][=C][Ring1][Branch2],0
Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21,[C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C][C][NH1][C][=N][C][=Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2],0
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c56)c(C)c4)cc3C)cc2)cc1,[C][C][=C][C][=C][Branch2][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch2][=Branch1][#Branch1][N][=N][C][=C][C][=C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring2][=Branch2][N][=N][C][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring1][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][C][C][=C][Ring2][Ring2][O][C][=C][Ring2][Branch1][Branch1],0
CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1,[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P],1
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][N][C][C][C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S],0
O=C(CCN1CCN2CCCC2C1)N1c2ccccc2Sc2ccc(Cl)cc21,[O][=C][Branch1][S][C][C][N][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C],0
Cc1cccc(C)c1NC1=NCCCS1,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=N][C][C][C][S][Ring1][=Branch1],0
CN(C)C(=O)NC1(c2ccccc2)CCN(CC[C@@]2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring2][#Branch2][C][C][C@@][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][=Branch1][C][C][Ring2][Ring2][Ring2],0
OC12N=C(c3ccccc3)SC1Cc1cc(Cl)ccc12,[O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1],0
CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.O=C([O-])CCC(=O)O,[C][O][C@@H1][C][O][C][C][C@@H1][Ring1][=Branch1][NH2+1][C@@H1][C][C][C@@][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Branch2].[O][=C][Branch1][C][O-1][C][C][C][=Branch1][C][=O][O],0
Fc1ccccc1[C@@H](F)CO[C@H]1CC[C@H](Nc2[nH]cnc3nncc2-3)CC1,[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][F][C][O][C@H1][C][C][C@H1][Branch1][#C][N][C][NH1][C][=N][C][=N][N][=C][C][=Ring1][=Branch2][Ring1][Branch1][C][C][Ring1][S],0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)[O-])c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1,[C][C][O][C][=C][C][=C][C][Branch2][Branch1][N][N][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring2][#Branch1],0
CCCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1C[C@H](C)C(=O)[O-])[C@H](C(=O)[O-])[C@H]2c1ccc2c(c1)OCO2,[C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C@@H1][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O-1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@H1][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],0
CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2n1,[C][C][Branch1][C][C][Branch1][C][O][C][C][=N][N][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][#N][=C][Ring1][S][=C][N][=C][Ring2][Ring1][Branch1][N][=Ring2][Ring1][=Branch2],0
Cc1ncc([C@@H](CCCCCCc2ccc3c(n2)NCCC3)CC(=O)O)cn1,[C][C][=N][C][=C][Branch2][Ring1][P][C@@H1][Branch2][Ring1][#Branch1][C][C][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][#Branch1][C][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][O],0
CC(C)(C)NCC(O)COc1ccccc1OCC1CCCO1,[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][C][O][Ring1][Branch1],0
S=c1nccc[nH]1,[S][=C][N][=C][C][=C][NH1][Ring1][=Branch1],0
N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12,[N][=C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch2][Ring1][N],1
c1csc(-c2ccc(-c3cccs3)s2)c1,[C][=C][S][C][Branch1][P][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2][=C][Ring1][#C],1
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,[O][C][C@H1][O][C@@H1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][=Branch2][=Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][#Branch1][P][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][=Branch1][N][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Branch1][#Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][C][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][#C][O][C@H1][Ring2][Ring2][#C][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][S][O][O][C@@H1][Ring1][=C][C][O][O][C@@H1][Ring2][Ring1][=Branch2][C][O][O][C@@H1][Ring2][Ring2][Ring2][C][O][O][C@@H1][Ring2][Ring2][#C][C][O][O][C@@H1][Ring2][Branch1][#Branch2][C][O][O][C@@H1][Ring2][=Branch1][Branch1][C][O],0
O=C(Oc1ccccc1)c1cccc(C(=O)Oc2ccccc2)c1,[O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C],0
c1coc(CNc2[nH]cnc3ncnc2-3)c1,[C][=C][O][C][Branch1][S][C][N][C][NH1][C][=N][C][=N][C][=N][C][=Ring1][=Branch2][Ring1][Branch1][=C][Ring1][S],0
O=C1CCCCCCCCCCCC(=O)OCCO1,[O][=C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][O][Ring2][Ring1][C],0
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,[C][=C][C][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#Branch1][O][Ring1][N],0
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,[O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C@@H1][Branch1][C][O][C][C][C@@][Branch1][C][O][C@@H1][Branch1][Ring2][C][Ring1][=N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][Ring1][=N],0
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,[C][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][#C][C][Branch1][C][O][=C][Ring1][Branch2][C][/C][=C][Branch1][C][\C][C][C][C][=Branch1][C][=O][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][#Branch2],1
O=C1CC[C@H](C(=O)N2CCCCC2)N1,[O][=C][C][C][C@H1][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][Ring1][=N],0
CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O,[C][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C][=O],0
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,[C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Ring1][=C][=O],0
C[C@H](CN1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1,[C][C@H1][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2],0
COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1],0
COc1nc(C)nc(Cl)c1NC1=NCCN1,[C][O][C][=N][C][Branch1][C][C][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][C][N][Ring1][Branch1],0
C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C.C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C,[C][C@H1][C@@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][O][Branch1][C][C][C][C][N][Ring1][=C][C].[C][C@H1][C@@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][O][Branch1][C][C][C][C][N][Ring1][=C][C],0
CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,[C][O][C@@][C][C][C@@][Branch2][Ring1][Ring2][C][C@@H1][Ring1][=Branch1][C@][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring2][Ring1][Ring2][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#C][O][Ring1][N],0
O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][N][N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][=Branch2],0
CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1,[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][C][O][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1],0
Oc1cccc2cccnc12.Oc1cccc2cccnc12,[O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1].[O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1],1
C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O,[C][C@][C][C][C@H1][C][=Branch1][S][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O][C@@H1][Ring1][#C][C][C][C][Ring2][Ring1][C][=O],0
O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O,[O][=C][O][Pt][Branch1][=N][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][Ring1][=Branch2][O][C][Ring1][=N][=O],1
CC1=CC(=O)[N-]S(=O)(=O)O1,[C][C][=C][C][=Branch1][C][=O][N-1][S][=Branch1][C][=O][=Branch1][C][=O][O][Ring1][=Branch2],0
CN1COCN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-],[C][N][C][O][C][N][Branch1][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring1][=N][=N][N+1][=Branch1][C][=O][O-1],0
N#C/N=C1\SCCN1Cc1ccc(Cl)nc1,[N][#C][/N][=C][\S][C][C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1],0
O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,[O][=C][Branch2][Ring1][=Branch1][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0
O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,[O][=C][Branch2][Ring1][=C][C][C][C][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0
Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C,[C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C],0
C[C@]12C[C@H]3S[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,[C][C@][C][C@H1][S][C@H1][Ring1][Ring1][C][C@@H1][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C][C][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@@H1][Ring1][O][Ring1][#Branch1],0
Cc1cc(C(=O)NNCc2ccccc2)no1,[C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][S],0
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12,[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][=C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1],0
CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1,[C][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][C][O][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring1][=N],0
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,[N][C][=N][C][=Branch1][C][=O][C][=N][C][Branch2][Ring2][Ring1][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][=C][N][=C][Ring2][Ring1][#Branch2][NH1][Ring2][Ring1][#C],0
CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O,[C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][C][=Branch1][C][=O][N][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O],0
Oc1ccccc1-c1nnco1,[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][O][Ring1][Branch1],0
CN1Cc2cc(C(=O)N3CCC(C4CCNCC4)CC3)ccc2N[C@@H](CC(=O)O)C1=O,[C][N][C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring2][Ring1][=N][=O],0
O=C(C1CCCCC1)N1CC(=O)N2CCCc3ccccc3C2C1,[O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring1][S],0
OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,[O][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][N][Branch2][Ring1][=N][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring2][Ring1],0
O=C1CCCC(=O)O1,[O][=C][C][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1],0
O=C(Cc1ccccc1)OCCc1ccccc1,[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,[O][C][C@H1][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Ring2][O],0
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,[C][=C][C][C@][C][C@@][Ring1][Branch1][Branch1][C][O][C][C][C@H1][Ring1][#Branch1][C@@][C][=C][C@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][#Branch2][C@H1][Ring1][O][C@@H1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O],0
Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1,[C][C][NH1][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C][=Ring1][=Branch2][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][=Branch2],0
c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1,[C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][Branch2][Ring1][Ring1][O][C][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring1][O],0
CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1,[C][N][Branch1][C][C][C][/C][=C][Branch1][N][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],0
c1ccc2c(c1)ccc1ncccc12,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][O],1
O=C1CCC(c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1,[O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch2],0
CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][O][C][=C][Branch1][Ring2][N][C][=O][C][=Branch1][C][=O][C][=Ring1][#Branch2][C][=C][Ring1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(C)(C)C1(CCc2ccc(Cl)cc2)CO1,[C][C][Branch1][C][C][Branch1][C][C][C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][Ring1][N],0
CNCCCC1c2ccccc2C=Cc2ccccc21,[C][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C],0
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,[C][S][C][C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O],0
O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,[O][=C][Branch1][=N][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
CCN(C(=O)c1cc(C)cc(OC[C@H](C)Nc2ccncc2)c1)C(C)C,[C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][S][O][C][C@H1][Branch1][C][C][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][Branch1][C][C][C],0
CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F,[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][P][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][P][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][P][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring2][Ring1][P][=C][Branch1][C][Cl][C][=C][Ring2][Ring2][#Branch2][F],0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,[C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][O][C][=C][C][=C][Branch2][Ring1][S][C][C@H1][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2],0
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2,[C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=N][C@H1][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][S][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][S][C][C][Ring2][Ring1][#Branch1],1
CCc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(c3ccc(OC)cc3)CC2)ccc1OCC(=O)O,[C][C][C][=C][C][Branch2][Branch1][=Branch1][S][C][C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=Ring1][#C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][=C][=C][C][=C][Ring2][Ring2][=Branch1][O][C][C][=Branch1][C][=O][O],0
CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2,[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2],0
NC(=O)N(O)[C@@H]1COc2cc(OCc3ccccc3)ccc21,[N][C][=Branch1][C][=O][N][Branch1][C][O][C@@H1][C][O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P],0
O=C(OCCCCCCOC(=O)c1ccccc1)c1ccccc1,[O][=C][Branch2][Ring1][Branch1][O][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
N=C(N)NN=C(C=Cc1ccc([N+](=O)[O-])o1)C=Cc1ccc([N+](=O)[O-])o1,[N][=C][Branch1][C][N][N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2],1
CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21,[C][C][N][C][=Branch2][Ring1][Ring2][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N+1][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2],1
O=c1ssc(Cl)c1Cl,[O][=C][S][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][Cl],0
Nc1ccccc1C(=O)OCC=Cc1ccccc1,[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,[C][C][C][=C][C][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][Ring1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][O][C][C][Ring1][=C],0
COC(=O)C(c1ccccc1)C1CCCCN1,[C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][N][Ring1][=Branch1],0
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,[C][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=C][Ring1][O][C@@H1][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C@@][Ring2][Ring1][Branch2][Ring2][Ring1][N][C],1
CN1CCN2c3ncccc3Cc3ccccc3C2C1,[C][N][C][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1],0
Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2Cc1ccco1,[C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][C][=C][O][Ring1][Branch1],0
O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,[O][=C][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][N][Branch2][Ring1][=N][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2],0
O=c1c2ccccc2[se]n1-c1ccccc1,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Se][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,[C][C][=Branch1][C][=O][S][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O],0
C/C=C1\NC(=O)[C@H]2CSSCCC=C[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O,[C][/C][=C][\N][C][=Branch1][C][=O][C@H1][C][S][S][C][C][C][=C][C@H1][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Ring1][P][=O],1
C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,[C][#C][C][C][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C],1
NC1CCN(c2cccc(Cl)n2)CC1,[N][C][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][C][Ring1][=N],0
CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1,[C][C][N+1][Branch1][Ring1][C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C([O-])c1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1,[O][=C][Branch1][C][O-1][C][NH1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring1][S][/N][=N][/C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2],0
CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,[C][C][Branch2][Branch1][Branch1][/C][=C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][=C][\C][=C][\C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O],0
O=c1[nH][nH]c(=O)c2cc([N+](=O)[O-])ccc12,[O][=C][NH1][NH1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=C][Ring1][=Branch2],0
C/C(=C1\CCOC(=O)S1)N(C=O)Cc1cnc(C)nc1N,[C][/C][=Branch1][N][=C][\C][C][O][C][=Branch1][C][=O][S][Ring1][#Branch1][N][Branch1][Ring1][C][=O][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N],0
O=C1CCCCCCCCCCCCCC1,[O][=C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Ring1][#C],0
Cc1nc2ccccc2c(=O)o1,[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O],0
CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,[C][C][O][C][=Branch1][C][=O][C][=C][C@][Branch1][Ring1][C][C][C][C][C][N][C][C][C][=C][Branch1][=C][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring2][Ring1][Ring1],0
c1nc[n-]n1,[C][N][=C][N-1][N][=Ring1][Branch1],0
O=c1nn[nH]c2ccccc12,[O][=C][N][=N][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0
c1ccc(COCc2ccccc2)cc1,[C][=C][C][=C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C],0
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,[C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][N][Branch1][Ring2][C][C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][Ring1][C][=O][=C][Ring1][=N][C][Branch1][C][O][=C][Ring2][Ring1][C][C][=C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][Ring1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][C][O],0
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],[C][C][Branch1][C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][O][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1].[C][C][Branch1][C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][O][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1],0
COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,[C][O][C][=C][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C@][Ring1][Branch2][O][C][=C][Branch1][C][Cl][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][C][Ring1][=C][=O],1
COC1=CC(=O)O[C@@H](/C=C/c2ccc3c(c2)OCO3)C1,[C][O][C][=C][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring1][C],0
Oc1cc2c(cc1O)[C@H]1c3ccc(O)c(O)c3OC[C@@]1(O)C2,[O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C@H1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][C@@][Ring1][N][Branch1][C][O][C][Ring2][Ring1][Ring1],0
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,[O][C][C@H1][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][C@@H1][Branch1][Ring1][C][O][O][C@][Branch1][C][O][Branch1][Ring1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O],0
COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-],[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@@H1][Ring1][Branch1][S][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][O-1],0
CC[C@@H](C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H](C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)C([C@@H](C)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O,[C][C][C@@H1][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch2][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][C][C][N][N][C][Ring2][Branch1][Ring2][=O][C@@H1][Branch1][C][C][O],0
S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1,[S][=C][Branch2][Ring1][Ring1][S][S][S][S][S][S][C][=Branch1][C][=S][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1],0
CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,[C][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1,[C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N=N2)[C@H]1C1CCC(F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,[C][C@@H1][Branch2][Ring2][C][O][C@H1][O][C][C][N][Branch1][N][C][C][=N][C][=Branch1][C][=O][N][=N][Ring1][=Branch1][C@H1][Ring1][=N][C][C][C][C][Branch1][C][F][C][C][Ring1][#Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C],0
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1,[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C@@H1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C@@H1][Ring2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0
CO.COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl,[C][O].[C][O][C][=C][C][Branch2][Ring2][O][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][Branch1][S][O][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][P][Cl],1
CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1,[C][C][N][Branch1][Ring1][C][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2],0
CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1,[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][=N][NH1][C][Ring1][=N][=C][Ring1][P],0
CC(=O)c1ccc[nH]1,[C][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1],0
O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1,[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch1],0
O=C1Cc2ccccc2N1c1c(Cl)cccc1Cl,[O][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],0
CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O,[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][O][=O],1
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1,[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][C][=Branch1][C][=O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2],0
C[C@@H]1[C@H](O)[C@@H](C)C=CC=CCCC=CC=CC=CC=C[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@H]2O)CC2O[C@](O)(C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O,[C][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=C][C][=C][C][C][C][=C][C][=C][C][=C][C][=C][C@H1][Branch2][Ring1][Ring2][O][C@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][N][C@H1][Ring1][=Branch2][O][C][C][O][C@][Branch1][C][O][Branch2][Ring2][Branch1][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C@H1][Ring2][Branch1][Branch2][C][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=N][C][=Branch1][C][=O][O],0
COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P],1
Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],[N][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][C][N][=N+1][Ring1][=N][O-1],0
CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1,[C][C][Branch1][C][C][C@H1][C][C][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Ring2],0
O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21,[O][=C][Branch1][C][O-1][C@H1][/C][=Branch1][Ring2][=C][/C][O][O][C@@H1][C][C][=Branch1][C][=O][N][Ring1][Branch1][Ring1][O],0
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@H](C)C[C@H](C)C2)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,[C][C][C@H1][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][O][O][C@@H1][Branch1][P][C][C][N][C][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][C][Ring1][Branch2][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C@@H1][Ring2][Ring2][=N][C][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][#Branch2][O][C],0
COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1,[C][O][C][=C][C][=C][NH1][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][C][C][=N][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=N][C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch1],0
O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2,[O][=C][Branch1][C][O][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1],0
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1,[C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1],0
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,[C][O][C][=C][C][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][N][=C][N][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1],0
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1,[C][C][Branch1][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][NH1][Ring1][=C][C][C][Ring2][Ring1][=Branch1],0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC,[C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][C][C][C@@H1][Ring1][=Branch1][C@H1][Ring1][#Branch2][C][=Branch1][C][=C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C],0
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][O][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0
O=c1oc2ccccc2c(O)c1C1CCCc2ccccc21,[O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],0
CCN(Cc1cccnc1)C(=O)c1cccc(Cl)c1[C@]1(C)C(=O)N(Cc2ccc(OC)cc2OC)c2ccc(Cl)cc21,[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C@][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1],0
NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1,[N][C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][=C][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N],0
CC[C@H](NC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cccnc12)c1ccccc1,[C][C][C@H1][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C(O)c1ccccc1-n1cc(C(=O)O)c(=O)c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc21,[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring2][Ring1][=Branch2],0
COc1ccc(C(=O)Nc2nc3ccccc3c(NCc3ccccc3)c2C#N)cc1,[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][#N][C][=C][Ring2][Ring1][=N],0
CCOC(=O)O[C@H](C)OC(=O)c1ccc2c(c1)cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1,[C][C][O][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][N][Ring2][Ring1][C][C][C][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][O][N][=Ring1][O],0
O=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(F)ccc1N1CCC(C(=O)O)CC1,[O][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2],0
O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@][Branch1][Branch2][C][#C][C][C][C][Ring1][Ring1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Ring2],0
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,[C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N+1][Branch1][C][O-1][C][Ring2][Ring1][Ring1],0
NS(=O)(=O)Cc1noc2ccccc12,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],0
Cc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2C,[C][C][=N][N][=C][N][Ring1][Branch1][C][S][C][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=Ring1][P][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][=N][C],0
Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3,[C][C][=C][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][C][Ring1][Branch1],0
COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1,[C][O][C][C][C][N][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][=C][Ring1][Branch2][O][C][C][Ring1][Branch1][C][C][Ring2][Ring1][Ring2],0
O=C(O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1,[O][=C][Branch1][C][O][C][C][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCC3)c1,[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=S][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2],0
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3nnc(C)n3)CS[C@H]12)c1csc(N)n1,[C][O][/N][=C][Branch2][Ring2][#Branch2][/C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][N][C][N][N][=N][C][Branch1][C][C][=N][Ring1][=Branch1][C][S][C@H1][Ring2][Ring1][Ring1][Ring1][S][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1],0
O=C(NN1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1,[O][=C][Branch1][=Branch2][N][N][C][C][C][C][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
c1ccc(C2CC2)c(OCC2=NCCN2)c1,[C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][#Branch2][O][C][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][S],0
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,[O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C@H1][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Branch1][C][O][C][Ring1][S],0
O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,[O][=C][C][C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][N][Ring2][Ring1][#Branch2],0
Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,[Cl][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][Ring2][Ring1][=Branch1],0
O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl,[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl],0
O=C1CC(c2ccc(Cl)cc2)CC(=O)N1,[O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring1][=C],0
Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2,[C][C][N][=C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][C][N][C][C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][C][S][Ring2][Ring1][=Branch2],0
O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,[O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][Ring1][#C][=O],0
CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1,[C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch2][Ring1][#Branch1][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][Ring2][Ring1][Ring2],0
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][C@@H1][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][=C][C][C][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C],0
CC1=Nc2ccc3ccccc3c2C1(C)C,[C][C][=N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][=N][Branch1][C][C][C],0
Nc1nc(=S)[nH][nH]1,[N][C][=N][C][=Branch1][C][=S][NH1][NH1][Ring1][=Branch1],0
C[Si](NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1,[C][Si][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1],0
CNC(=O)Oc1ccccc1C1OCCO1,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][O][Ring1][Branch1],0
CC(Cc1ccccc1)N(C)Cc1ccco1,[C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1],0
O=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,[O][=C][Branch2][Ring2][Ring2][N][C][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1],0
CCOc1ccccc1OCC1CNCCO1,[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][O][Ring1][=Branch1],0
Cc1ccc2c(c1)OCC(=O)CO2,[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][O][Ring1][=Branch2],0
CC1(C)C2CCC3(C2)[C@H]1C(=O)CCC3(C)C,[C][C][Branch1][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Branch2][Branch1][C][C][C],0
COS(=O)(=O)[O-].Cn1c(-c2ccccc2)cc(-c2ccccc2)[n+]1C,[C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1].[C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N+1][Ring1][P][C],0
C1=Cc2ccccc2C1,[C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2],0
N[Pt]1(N)OC(=O)C2(CCC2)C(=O)O1,[N][Pt][Branch1][C][N][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][O][Ring1][N],0
CN1CCC(OC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)CC1,[C][N][C][C][C][Branch2][Ring1][P][O][C][=Branch1][C][=O][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch2],0
Cc1nc(-c2ccc(Cl)cc2)oc1COC(C)(C)C(=O)O,[C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O],0
CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N,[C][C][Branch1][C][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N],0
CC1=C[C@H](O)CC(C)(C)[C@H]1/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)C[C@@H](O)CC1(C)C,[C][C][=C][C@H1][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=Branch2][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][=C][/C][=C][\C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C][Ring1][Branch2][Branch1][C][C][C],1
C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21,[C][=C][C][N][C][=Branch1][C][=O][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][N][=C][Branch1][C][N][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][Ring2][Ring1][Branch1],0
O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1,[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C1CCc2ccccc2O1,[O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2],0
c1cc(OCC2CO2)cc(OCC2CO2)c1,[C][=C][C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][=C][C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][=C][Ring1][S],1
Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,[C][C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][O][C][=Branch1][C][=O][C][=Ring1][=C].[N][C][C][O],0
NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](c4ccccc4)S(=O)(=O)[O-])[C@@H]3SC2)cc1,[N][C][=Branch1][C][=O][C][=C][C][=N+1][Branch2][Branch1][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C@@H1][Ring2][Ring1][Ring1][S][C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P],0
C[C@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1.C[C@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1,[C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N].[C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N],0
C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,[C][C@][C][/C][=Branch1][Ring1][=C][/O][C][=Branch1][C][=O][C][C@@H1][Ring1][=Branch2][C][C][C@@H1][C@@H1][Ring1][=N][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@][Ring1][=Branch1][Branch1][C][C][O],0
N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1].[O][=S][=Branch1][C][=O][Branch1][C][O][C][C][O].[O][=S][=Branch1][C][=O][Branch1][C][O][C][C][O],0
O=C(O)CN(CC(=O)O)CC1=CC2C(=CC1=O)Oc1cc(O)c(CN(CC(=O)O)CC(=O)O)cc1C21OC(=O)c2ccccc21,[O][=C][Branch1][C][O][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][=O][O][C][=C][C][Branch1][C][O][=C][Branch1][P][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][Ring2][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],0
O=c1c2ccccc2oc2ccccc12,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1],0
CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C,[C][C][/N][=C][/C][=C][O][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C],1
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,[C][O][C@H1][C][=C][O][C@@][Branch1][C][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Branch2][Ring1][P][C][Branch1][=C][/C][=N][/N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][O][C][Ring1][P][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][O][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][Branch2][C],0
C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1,[C][=C][Branch1][C][C][C@H1][C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C@@H1][Ring1][=C][C][Ring2][Ring1][C][=O][O][Ring2][Ring1][#Branch2],1
CS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1ccccc1,[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][C][/C][=C][\C][C@H1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][/C][=C][/C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C(O)c1cccc(/C=C2/C[C@@H]3[C@@H](/C=C/[C@@H](O)C4CCCCC4)[C@H](O)C[C@@H]3O2)c1,[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][C][/C][=C][/C][C@@H1][C@@H1][Branch1][#C][/C][=C][/C@@H1][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][Ring1][S][O][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2],0
S=C(NC1CCCCC1)NC1CCCCC1,[S][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1],0
CCCCC/C=C\CCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)O3)NC(=O)[C@@H](N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc3[C@H](C(=O)O)NC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,[C][C][C][C][C][/C][=C][\C][C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][=C][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][S][N][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][Ring2][N][C][=Branch1][C][=O][C@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring2][Branch1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][Ring2][Ring1][P][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][=Branch1][=C][=O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch2][#Branch1][O],0
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CN(CC(=O)O)C1=O,[C][C][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][C][S][C@H1][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][S][=O],0
COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][=N][C][C][C][N][Branch1][C][C][C][C@H1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][N][C][C][Ring2][Ring1][=C],0
NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C][Cl],0
CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21,[C][C][O][C][C][N][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P],0
Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1,[F][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=Branch1],0
CC1=CC(=O)/C(=C(/C)[O-])C(=O)O1,[C][C][=C][C][=Branch1][C][=O][/C][=Branch1][=Branch1][=C][Branch1][C][/C][O-1][C][=Branch1][C][=O][O][Ring1][O],0
O=C1CCCCC1CN1CCCCC1,[O][=C][C][C][C][C][C][Ring1][=Branch1][C][N][C][C][C][C][C][Ring1][=Branch1],0
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][=C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch2][O][C][C][O],0
Cc1ccc2c(c1)C1CN(C)CCC1N2,[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][C][C][C][C][C][Ring1][#Branch1][N][Ring1][O],0
O=C(OC1CN2CCC1CC2)c1ccccc1,[O][=C][Branch1][=C][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,[C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1],0
N[C@@H]1CONC1=O,[N][C@@H1][C][O][N][C][Ring1][Branch1][=O],0
NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][C][Branch1][N][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][N][S][Ring1][S][=Branch1][C][=O][=O],0
O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2,[O][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][N][C][C][C][Ring1][#Branch1][C][C][Ring1][=Branch1],0
COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1,[C][O][C][=C][C][=C][Branch2][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C@@][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch2][Ring1][Ring2][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2],0
O=C(C=Cc1ccccc1)OCCc1ccccc1,[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
NC(=O)Cn1c(=O)cc(CCN2CCN(c3nccc4sccc34)CC2)c2ccc(F)cc21,[N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][N][Branch1][=C][C][=N][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][=N],0
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C,[C][C@H1][C@H1][C][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][C][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][=C][C][C][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C][N][Ring2][Ring1][Branch2][C],0
CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,[C][N][Branch1][C][C][C][C][C][C@@][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][Ring2][Ring1][C],0
CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O,[C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][=Branch1][=N][=O],1
CC1=C2N=C(C=C3N=C(C(C)=C4N([Co+]C[C@H]5O[C@@H](n6cnc7c(N)ncnc76)[C@H](O)[C@@H]5O)C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])O[C@H]4[C@@H](O)[C@@H](n5cnc6cc(C)c(C)cc65)O[C@@H]4CO)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O,[C][C][=C][N][=C][Branch2][N][N][C][=C][N][=C][Branch2][O][Ring1][C][Branch1][C][C][=C][N][Branch2][Ring1][S][Co+1][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][C][Branch2][=Branch1][Branch2][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring2][Ring1][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][P][C][O][C][Branch1][C][C][N][=C][Ring2][=Branch1][O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Ring1][O][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Ring2][#Branch1][=Branch2][Branch1][C][C][C][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Ring2][Branch2][=Branch1][Branch1][C][C][C][C][Branch1][C][N][=O],0
Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCCC3)cc2)no1,[C][C][=C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][=N][O][Ring2][Ring1][=C],0
COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C,[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][Ring2][Ring1][=C][Branch1][C][C][C],0
Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1,[C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][N][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1],0
CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1,[C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Branch2][Ring1][C][P][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][=C][Branch1][C][C][N][Ring2][Ring2][N],0
O=S1(=O)OCCO1,[O][=S][=Branch1][C][=O][O][C][C][O][Ring1][=Branch1],0
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,[C][N][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][=Branch1][=C][N][Ring1][Branch1][C][C][C@H1][Ring1][=N][Ring2][Ring1][=N],0
CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C,[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Ring1][=N][=N][C][Branch1][C][C][Branch1][C][C][C],0
CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32,[C][C][C@][C][C][C][N][C][C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][C@@H1][Ring1][S][Ring2][Ring1][Ring2],1
O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,[O][=C][Branch1][C][O][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P],0
Clc1ccccc1-c1nc(-c2ccncc2)no1,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O],0
O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,[O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring1][P],0
CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O,[C][C][Branch1][C][C][C][Branch1][C][C][N][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][N][C][Ring2][Ring1][Ring1][=O],0
c1cc2c(c(NC3=NCCN3)c1)CCCC2,[C][=C][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][N][C][C][C][C][Ring1][=C],0
CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1,[C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S],0
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1,[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][Branch2][=Branch1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][N][C][C][N][Branch2][Ring2][#C][C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2][C][C][Ring2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,[O][=C][C@@H1][C@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N],0
CN1CCC(N(Cc2cccs2)c2ccccc2)CC1,[C][N][C][C][C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1],0
CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)Oc3ccccc3NC2=O)cc1,[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O],1
COc1cc(C(=O)OC(COCCC(C)C)CN2CCOCC2)cc(OC)c1OC,[C][O][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][Branch1][#Branch2][C][O][C][C][C][Branch1][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C],0
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])c2ccccc2)C(=O)C1=O,[C][C][N][C][C][N][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@@H1][Ring1][Branch1][S][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][P][=O],0
O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,[O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch2][Ring1][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1],0
Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)CC4)C=C3)c1,[O][C][=C][C][=C][C][Branch2][#Branch1][Branch1][C][=C][N][=C][Branch2][=Branch1][=Branch2][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=N][C][=Branch2][Ring1][=Branch2][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring2][Branch2][NH1][Ring1][Branch1][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring2][N][=C][Ring2][Branch1][Ring1],0
c1ccc(CCCc2ccncc2)cc1,[C][=C][C][=C][Branch1][N][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C],0
COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC,[C][O][C][=C][C][Branch1][C][Br][=C][Branch2][Ring2][C][C][N+1][Branch2][Ring1][Branch1][C][C][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Ring2][Branch1][C][C][C][C][C][O][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N][O][C],0
Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O,[C][C][=C][C][Branch2][Ring2][Ring1][S][C][C][S][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O][=N][C][=Ring1][S][C][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][O],0
CCC(C(=O)OCCN1CCOC(c2ccccc2)C1C)c1ccccc1,[C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][C][N][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CN1C2CCC(C)(C)C1CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2,[C][N][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][=Branch2],0
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,[C][C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring1][P][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C],0
CC(C)(C)c1n[nH]c(=S)n(N)c1=O,[C][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][C][=Branch1][C][=S][N][Branch1][C][N][C][Ring1][Branch2][=O],0
O=C([O-])[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1.O=C([O-])[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,[O][=C][Branch1][C][O-1][C@H1][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O-1][C@H1][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C(NNCNNC(=O)c1ccncc1)c1ccncc1,[O][=C][Branch2][Ring1][C][N][N][C][N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1],0
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)COc2ccc(OC)cc2)[C@@H]1OC,[C][O][C][=Branch1][C][=O][C@H1][C@H1][C][C@@H1][C][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][N][Ring1][#C][C][C@H1][Ring2][Ring1][Ring1][C][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C@@H1][Ring2][Ring2][Ring2][O][C],0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1,[C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][#Branch2],0
Oc1cn2c(n1)Nc1ccc(Cl)c(Cl)c1C2,[O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=N],0
FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1,[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][N][C][=C][C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2],0
CC[C@H]1CC[C@H](NCc2cc3c(cc2OC)[C@H]2C[C@H]2C(=O)N3C)[C@H](c2ccccc2)N1,[C][C][C@H1][C][C][C@H1][Branch2][Ring1][N][N][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][N][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=N],1
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12,[C][C][=Branch1][C][=O][S][C@@H1][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch1][#C][C][C][C@@][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][C@H1][Ring2][Ring1][=Branch2][Ring1][#C],1
CC[C@H](C)COC(=O)/C=C/c1ccc(/N=C/c2ccc(OC)cc2)cc1,[C][C][C@H1][Branch1][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][#C][/N][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][S],0
O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1,[O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][O][C][Branch2][Ring1][O][C][C][Branch1][C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],1
CO/N=C(/C(=O)OC)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1,[C][O][/N][=C][Branch1][#Branch1][/C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][N][=C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],1
c1cnc2c(c1)ccc1cccnc12,[C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][O],1
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1,[C][O][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0
O1[As]2O[As]3O[As]1O[As](O2)O3,[O][As][O][As][O][As][Ring1][=Branch1][O][As][Branch1][Ring2][O][Ring1][Branch2][O][Ring1][#Branch1],0
C1C2OC2C2C1C1CC2C2OC12,[C][C][O][C][Ring1][Ring1][C][C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][O][C][Ring1][=Branch1][Ring1][Ring1],0
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[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)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][=Branch1][=Branch2][=N][O][C][O][C][C][O][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][=Branch1][Branch1][C][C][O],0
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,[C][O][C@H1][C][=C][O][C@@][Branch1][C][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Branch2][Ring2][=Branch2][C][Branch2][Ring1][Ring2][/C][=N][/N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=C][Branch1][C][O][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O][C][Ring2][Ring1][#C][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][N][C],0
CCC1(c2ccccc2)C(=O)NCNC1=O,[C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][N][C][Ring1][=N][=O],0
O=C1[N-]C(=O)c2ccccc21,[O][=C][N-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],0
CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2],0
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1,[C][C@@H1][C@@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][O][Branch1][C][C][C][C][N][Ring1][=C][C][C][C][C][Ring1][Ring1],0
CC(C)C(=O)c1c(C(C)C)nn2ccccc12,[C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][N][C][=C][C][=C][C][=Ring1][N][Ring1][=Branch1],0
COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1,[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch2],0
COc1cccc2c1[C@@H]1CN(CCCCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]1CO2,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][N][Branch2][Ring2][#Branch2][C][C][C][C][N][C][=Branch1][C][=O][NH1][C][=C][Branch2][Ring1][=Branch1][S][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][Ring1][#C][C][Ring2][Ring1][Ring2][=O][C][C@@H1][Ring2][Ring1][=C][C][O][Ring2][Ring2][C],0
CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1,[C][C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][Branch2][Ring1][C][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2][O][Ring1][=C],0
C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21,[C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][C][Branch1][C][C][=C][C][C][C@@][Branch1][C][C][O][C@@H1][Ring1][=N][Ring1][Ring2],1
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1,[C][N][C][C][N][Branch2][Ring1][P][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][C][Ring1][#Branch2][=C][Ring1][#C][S][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2],0
NC(=O)N1c2ccccc2CC(=O)c2ccccc21,[N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S],0
c1ccc(-c2nc[nH]c2-c2ccccc2)cc1,[C][=C][C][=C][Branch1][S][C][N][=C][NH1][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P],1
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O,[C][C][N][C][C][N][Branch2][Branch1][=N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][S][C@H1][Ring2][Ring1][Ring2][Ring1][P][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring2][=Branch2][=O],0
O=c1nc([O-])n(Cl)c(=O)n1Cl,[O][=C][N][=C][Branch1][C][O-1][N][Branch1][C][Cl][C][=Branch1][C][=O][N][Ring1][=Branch2][Cl],0
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,[C][N][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1],0
Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCCCC2)cc1,[C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1],0
Cc1ccc(S(=O)(=O)NC(=O)NC2CCCC2)cc1,[C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][C],0
Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,[C][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C@@][Branch1][C][C][Branch2][Ring1][#Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C][O][Ring2][Ring2][Ring1],0
C[C@@H]1[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O,[C][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@@H1][Ring1][=Branch2][O][C][C@@H1][O][C@][Branch1][C][O][Branch2][Ring2][Branch1][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C@H1][Ring2][Branch1][Branch2][C][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=N][C][=Branch1][C][=O][O],0
C[C@@]12C(=O)OC(=O)[C@]1(C)C1CCC2O1,[C][C@@][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@][Ring1][#Branch1][Branch1][C][C][C][C][C][C][Ring1][N][O][Ring1][Branch1],1
O=C1CCCCCCCCCCCCCCCO1,[O][=C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][Ring1][P],0
C1CCC(SSC2CCCCC2)CC1,[C][C][C][C][Branch1][O][S][S][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C],0
O=C(Oc1cccc2cccnc12)c1ccccc1,[O][=C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
C1=CCC2CC=CC2C1,[C][=C][C][C][C][C][=C][C][Ring1][Branch1][C][Ring1][=Branch2],0
CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2],1
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][C][=C][C][=C][Branch2][Ring2][#C][C][=C][C][=C][N][=C][N][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][O][Ring2][Ring1][S],0
Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,[N][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C],0
OC(c1ccccc1)(c1ccccc1)C1CCNCC1,[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][C][Ring1][=Branch1],0
O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1,[O][=N+1][Branch1][C][O-1][/N][=C][\N][C][C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1],0
CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,[C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=N][C][=N][Ring1][Branch1],0
c1ccc(NNc2ccccc2)cc1,[C][=C][C][=C][Branch1][O][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C],0
O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1,[O][=C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1],0
CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1,[C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C],0
O=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1,[O][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2,[C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Ring2][Ring1][Ring1],0
NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1,[N][C][C][C][N][Branch2][Ring2][Branch2][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][N],0
Cc1cccc(C)c1N(CCCc1cccnc1)C(=O)C(C)N,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][N][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][N],0
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2,[O][=C][Branch2][Ring1][=Branch1][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch2],0
O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O,[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][O],0
C[N+]1(CC2COC(c3ccccc3)(c3ccccc3)O2)CCCCC1,[C][N+1][Branch2][Ring1][=N][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P][C][C][C][C][C][Ring2][Ring1][Branch2],0
O=C(COCCOCCOCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,[O][=C][Branch2][Ring2][Branch1][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O][I][N][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O][I],0
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,[O][=C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][N][=C][C][=C][C][=C][N][Ring2][Ring1][=Branch2][Ring1][=Branch1],0
O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12,[O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][Ring1][#Branch2],0
O=C(O)C1C2CCC(O2)C1C(=O)O,[O][=C][Branch1][C][O][C][C][C][C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][O],0
CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,[C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][C][C@@][Branch1][#Branch1][C][C][C][O][Ring1][Branch1][C][C@@H1][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1],0
Clc1cc(Cl)c2c(c1)N=C1CCCCCN1C2,[Cl][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][N][=C][C][C][C][C][C][N][Ring1][#Branch1][C][Ring1][N],0
O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1C[C@@H](O)[C@@H](O)C1)c1cc2cc(Cl)ccc2[nH]1,[O][=C][Branch2][Ring2][Ring1][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2],0
CCc1nn(C2CCCCC2)c2cc([C@]3(C#N)CC[C@@H](C(=O)O)CC3)ccc12,[C][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][Ring2][C@][Branch1][Ring1][C][#N][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][O][=C][C][=C][Ring2][Ring1][#Branch2][Ring1][P],1
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,[C][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][N][C@H1][C][C][C][N][C@H1][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2n1,[C][C][O][C][=C][C][=C][NH1][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][=N][Ring2][Ring1][Branch1],0
CC(C)c1cccc(C(C)C)c1NC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)O)co1,[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][=C][O][Ring1][=Branch2],0
c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][N][C][C][C][C][Ring1][Branch1],0
C(=Cc1ccncc1)c1ccccc1,[C][=Branch1][#Branch2][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C1C(=Cc2cccs2)CCCC1=Cc1cccs1,[O][=C][C][=Branch1][=Branch2][=C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][Ring1][N][=C][C][=C][C][=C][S][Ring1][Branch1],0
CC1CCCCN1CCCOC(=O)c1ccccc1,[C][C][C][C][C][C][N][Ring1][=Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C1CC[C@@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2)N1,[O][=C][C][C][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P],0
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,[C][O][/N][=C][Branch2][Ring2][=N][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][=C][C][S][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][S][C@H1][Ring2][Ring1][Branch1][Ring2][Ring1][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1],0
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,[C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2],0
CC1CC(=O)NN=C1c1ccc(NCC(C)(C)NCC(O)COc2cc(Cl)ccc2C#N)cc1,[C][C][C][C][=Branch1][C][=O][N][N][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][#N][C][=C][Ring2][Ring1][#Branch2],0
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1,[C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Branch2][Ring2][C][C][=Branch1][C][=O][O][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=C][Branch1][C][N][N][Ring2][Ring2][#Branch2],0
CC(=O)N=c1sc(S(N)(=O)=O)nn1C,[C][C][=Branch1][C][=O][N][=C][S][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=N][N][Ring1][=Branch2][C],0
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O,[N-1][=N+1][=C][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Ring1][=C][=O],0
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O,[C][C@@H1][O][C@@H1][Branch2][Branch1][Ring2][O][C@@H1][C][=C][C][C][C@@H1][C@H1][Branch2][Ring1][=N][C][C][C@][Branch1][C][C][C@@H1][Branch1][N][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][C][C@][Ring1][P][Ring1][=N][O][C@@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][Ring2][O],0
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,[N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1],0
OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1,[O][C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
C1CNCCN1.C[C@H](CCC(=O)O)[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,[C][C][N][C][C][N][Ring1][=Branch1].[C][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C@H1][Branch1][C][O][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C@H1][Branch1][C][O][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C],0
CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1,[C][C][C][C][Branch2][Ring1][P][C@H1][Branch1][C][O][C][/C][=C][/C@H1][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][Ring2][Ring1][#Branch2],1
O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch2][C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][O],0
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,[O][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,[C][O][C][=C][C][=C][Branch2][=Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch2][Ring2][=Branch2][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C][=C][Ring2][Ring1][=N][O][Ring2][Ring2][C][C][=C][Ring2][Ring2][Branch2][O],0
CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C,[C][C][C@@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O-1][C@H1][O][C@][Branch1][Ring1][C][C][Branch2][Ring1][Ring1][C@H1][C][C][C@][Branch1][C][O][Branch1][Ring1][C][C][C@H1][Branch1][C][C][O][Ring1][#Branch2][C][C@@H1][Ring1][P][C],1
CC(C)/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,[C][C][Branch1][C][C][/N][=C][/C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2,[C][N+1][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2],0
C=C(Nc1ccc(OCC)cc1)Nc1ccc(OCC)cc1,[C][=C][Branch1][#C][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2],0
c1ccc2sc(SN3CCOCC3)nc2c1,[C][=C][C][=C][S][C][Branch1][#Branch2][S][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Ring1][N][=C][Ring1][S],0
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,[C][C][Branch1][C][C][O][C@@H1][C@@H1][Branch2][Ring1][=C][C][O][C@@][Branch1][O][C][O][S][Branch1][C][N][=Branch1][C][=O][=O][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][P][Ring1][=N][O][Ring2][Ring1][Branch1],0
FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F,[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][C][Branch1][C][F][Branch1][Branch2][C][Ring1][=N][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Ring1][#C][Ring2][Ring1][N][F],0
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1,[O][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Branch1][O][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2],1
CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C,[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][C][Ring1][N][Branch1][C][C][C],0
Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2cc(F)ccc21,[C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][N][C][=C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][O],0
O=C(CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-])OC1CCCCC1,[O][=C][Branch2][Ring1][#Branch2][C][C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1][O][C][C][C][C][C][C][Ring1][=Branch1],0
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][C][Ring2][Ring1][N],0
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21,[C][C][C@H1][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C@@H1][Ring1][=C][C][C@@H1][Ring2][Ring1][C][C][C@H1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=C],0
Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,[C][C][=C][N][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][=N][C][S][Ring2][Ring1][=Branch1],0
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,[O][=C][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][Ring2][Ring1][Ring1][=C][Ring1][Branch2][C][Ring2][Ring1][Ring1][=Ring1][=N],0
COc1c2occc2c(OC)c2c(=O)cc(C)oc12,[C][O][C][=C][O][C][=C][C][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Ring1][P][=Ring1][Branch2],0
O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1)c1ccccc1,[O][=C][Branch2][Branch1][C][O][C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCC1(CC)C(=O)C=CNC1=O,[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][N][C][Ring1][=Branch2][=O],0
O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1,[O][=C][Branch1][C][O][C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
C1CN2CCN1CC2,[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1],0
c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1,[C][=C][C][=C][Branch2][Ring1][#Branch1][O][P][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1],0
c1ccc(P(c2ccccc2)c2ccccc2)cc1,[C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1],0
CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,[C][C][C][=C][C@@H1][C][N][Branch1][Ring2][C][Ring1][=Branch1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][C][C][=C][C][N][C][C][C@][Ring2][Ring1][=C][Ring2][Ring1][=Branch1][C@@H1][Ring1][Branch1][Ring1][O][C][Ring2][Branch1][Branch1],0
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O,[N][C][C@@H1][O][C@H1][Branch2][Branch1][Branch2][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@H1][Ring1][=Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][O][C@@H1][Ring2][Ring1][N][C][O][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][#Branch1][O],0
CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1,[C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
Cc1ccc(/C=N/n2c(-c3ccccc3)csc2=S)cc1,[C][C][=C][C][=C][Branch2][Ring1][Branch1][/C][=N][/N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][Ring1][O][=S][C][=C][Ring2][Ring1][Ring2],0
CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)OC[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccccc2OC)OC)CC1,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][C][N][Branch2][Ring2][#C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring2][Ring1][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][C][C][C][Ring2][Ring2][Branch1],0
CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1,[C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1],0
CCCCCOc1ccc(C2SC(=O)NC2=O)cc1OCC,[C][C][C][C][C][O][C][=C][C][=C][Branch1][N][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][O][C][C],0
CC(C(=O)O)c1ccc(/C=C2\CCCCC2=O)cc1,[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][/C][=C][\C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=C],0
C1CCc2nnnn2CC1,[C][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][Ring1][#Branch2],0
CN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)n1c(=O)[nH]c3ccccc31)C2,[C][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring2][Ring1][Ring2],0
Nc1c(NC/C=C\COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O,[N][C][=C][Branch2][Ring1][#Branch2][N][C][/C][=C][\C][O][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][Ring1][=N][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2][=O],0
CC(O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3],[C][C][Branch1][C][O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][Branch2].[Gd+3],0
[O-][n+]1ccccc1SSc1cccc[n+]1[O-],[O-1][N+1][=C][C][=C][C][=C][Ring1][=Branch1][S][S][C][=C][C][=C][C][=N+1][Ring1][=Branch1][O-1],1
Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1,[C][C][=N][N][=C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][O][Ring2][Ring1][#C],0
C[C@H]1CNCCc2ccc(Cl)cc21,[C][C@H1][C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N],0
CCCCCCCCCCCC[n+]1ccc2ccccc2c1,[C][C][C][C][C][C][C][C][C][C][C][C][N+1][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],0
OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F,[O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F],0
O=C1CCC(C2CCCCC2)CC1,[O][=C][C][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N],0
O=c1[nH]c2ccc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2o1,[O][=C][NH1][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][C][C][N][C][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch2][O][Ring2][Ring1][O],0
Cc1cc(CCN2CCN(c3nsc4ccccc34)CC2)cc2c1NC(=O)CC2(C)C,[C][C][=C][C][Branch2][Ring1][#Branch2][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][=C][C][=C][Ring2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][Branch1][C][C][C],0
Cc1nccn1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1,[C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][O][S][C][=C][C][=C][C][Branch1][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][O][C][C][Ring1][=Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1],0
CC(Cc1ccc(OCC(=O)O)cc1)NCC(O)c1csc(C(F)(F)F)n1,[C][C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][N][C][C][Branch1][C][O][C][=C][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2],0
CNCc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1,[C][N][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1],0
CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1,[C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2],0
CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C,[C][C][C@@H1][C][C@H1][Branch2][Ring2][#Branch1][N][Branch2][Ring1][=C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][Branch1][C][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][Ring2][Ring1][P][C][=Branch1][C][=O][O][C][Branch1][C][C][C],0
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1,[O][=C][Branch1][S][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1],0
CN1CCN(c2cc3c(nn2)Oc2ccccc2N3C)CC1,[C][N][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][Branch1][N][=N][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][C][C][Ring2][Ring1][Branch1],0
COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1,[C][O][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1],0
O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][=C][Branch1][C][Cl][C][NH1][C][=C][Branch1][#Branch1][NH1][C][=Ring1][=Branch1][Ring1][O][C][Branch1][C][Cl][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][N][Ring2][Ring1][Ring1],0
c1ccc(Nc2cccc3ccccc23)cc1,[C][=C][C][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P],0
c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,[C][=C][C][=C][S][C][Branch1][S][S][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2],0
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,[N][C][=Branch1][C][=O][C][N][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][N][=Ring1][=C],1
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,[C][C][O][C][=C][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O],0
O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,[O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][P][Ring1][#Branch1],1
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21,[C][C][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][O],0
CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Ring2],0
CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,[C][C][=Branch1][C][=O][N][Branch2][Branch1][O][C][C][Branch1][C][O][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Branch1][C][I][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][=C][Branch1][C][I][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][=C][Ring2][Ring1][Branch2][I][C][=C][Branch1][C][I][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][=C][Branch1][C][I][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][=C][Ring2][Ring1][Branch2][I],0
Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1,[Cl][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][O][C][C][=C][S][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch2],0
CC/C(=N\OC/C=C/Cl)C1=C(O)CC(C2CCOCC2)CC1=O,[C][C][/C][=Branch1][#Branch1][=N][\O][C][/C][=C][/Cl][C][=C][Branch1][C][O][C][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][=O],0
CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O,[C][C][C][Branch1][Ring1][C][C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][/C][=C][/C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=C][S][Ring1][=Branch2][=C][Ring1][P][C][=Branch1][C][=O][O],0
CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23,[C][N][N][=C][Branch1][C][N][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=N][C][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][C][Ring1][=Branch1],0
O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1,[O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,[C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][=C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][=C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][#N][=C][Ring1][P],0
Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][Branch1][C][C][C][Ring1][Branch2],0
O=C([O-])c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1,[O][=C][Branch1][C][O-1][C][=C][C][Branch1][C][O][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=C][C][=Branch1][C][=O][C][Ring1][#C][=N][Ring2][Ring1][Ring2],0
CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21,[C][N][Branch1][C][C][C][C][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C],0
NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][Branch1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][C][=C][Ring1][P][Cl],0
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c1C2=O,[C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2][=O],0
ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl,[Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][C][C][O][C][Ring1][Ring1][C][Branch1][C][Cl][C][Ring1][#Branch1][C][Ring1][=N][Branch1][C][Cl][C][Ring1][N][Branch1][C][Cl][Cl],0
COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1,[C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][=Branch2],0
c1coc(Cn2cccc2)c1,[C][=C][O][C][Branch1][=Branch2][C][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][O],0
Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,[C][N][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1],0
O=C(O)[C@@H]1CSCN1,[O][=C][Branch1][C][O][C@@H1][C][S][C][N][Ring1][Branch1],0
COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12,[C][O][C][=C][N][=C][Branch1][Ring1][O][C][N][N][=C][Branch2][Ring2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][Branch2][O][C][C][Branch1][C][F][F][C][=C][C][=C][Ring1][O][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring1][=C][Ring2][Ring1][Branch2],0
CN(CCCCCCCCCCN(C)C(=O)Oc1ccccc1[N+](C)(C)C)C(=O)Oc1ccccc1[N+](C)(C)C,[C][N][Branch2][Ring2][Ring2][C][C][C][C][C][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][C][Branch1][C][C][C],0
Nc1nc2cc(Cl)ccc2o1,[N][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2],0
O=C1NCCN1c1ncc([N+](=O)[O-])s1,[O][=C][N][C][C][N][Ring1][Branch1][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2],0
Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O,[C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][S][N][=C][N][Ring1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][O][=O],0
C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,[C][=C][C][C@@H1][C@H1][Branch2][Ring1][C][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][O][Ring1][#Branch1][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2],0
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1],0
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,[C][O][C@@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Branch1][C][O][C@H1][Branch2][Branch1][Branch1][O][C][=C][C][=C][C][Branch1][C][O-1][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][C][=Branch1][C][=O][O][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][C][O][C][Ring2][Ring2][Branch2][Branch1][C][C][C],0
CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C,[C][N][Branch1][C][C][C][=N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][C],0
C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,[C][C@@H1][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C@H1][C@@H1][Branch1][C][O][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch2][Branch2][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch2][=Branch1][=N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][Ring2][O][C@H1][Branch1][C][O][C][C@][Ring2][Branch1][=N][Branch1][C][C][C@H1][Ring2][=Branch1][C][C][C][C@][Ring2][=Branch1][=Branch1][Branch1][C][C][C@H1][Ring2][=Branch1][O][C@@H1][Ring2][=Branch1][S][C],0
Oc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1,[O][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N][C][C][C][C][C][Ring1][Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1],0
Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1,[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][P][=Branch1][C][=O][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=N],0
c1ccc(C[n+]2cccc3ccccc32)cc1,[C][=C][C][=C][Branch1][S][C][N+1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring1][P],0
C=C1CCC=C(C)CC[C@@H]2[C@@H]1CC2(C)C,[C][=C][C][C][C][=C][Branch1][C][C][C][C][C@@H1][C@@H1][Ring1][#Branch2][C][C][Ring1][Ring2][Branch1][C][C][C],0
Cc1cccc2sc3nncn3c12,[C][C][=C][C][=C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][Ring1][N][=Ring1][Branch2],0
O=C(NCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1,[O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2],0
O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,[O][=C][Branch2][Ring1][=C][C][C][C][N][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0
O=C(O)c1ccccc1NCCc1ccccc1,[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1,[C][C][=C][Branch2][Ring1][#C][C][O][C][=Branch1][C][=O][C][C][Branch1][=C][/C][=C][Branch1][C][\Cl][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][Branch1][C][C][C][C][=C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
C[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1,[C][C@H1][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1],0
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,[C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C],0
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2,[C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][O][Ring2][Ring1][O],1
OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,[O][C][C][=C][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][N][C][C][C][C][C][C][O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][O][O],0
O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,[O][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][Branch2][Branch1][O][C@H1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][C][O][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Ring2][Ring1][C][C][Ring2][Branch1][=Branch1][=O],0
C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1,[C][C@@H1][C][N][Branch2][Ring1][#Branch2][C@H1][C][C][C@][Branch1][Ring1][C][#N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][C][C@][Ring2][Ring1][Branch1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1,[C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][C][C][Branch1][C][C][C][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][=Branch2],0
Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1,[C][C][C][=C][N][N][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=C][Ring1][P][N][=Ring2][Ring1][Branch1],0
CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1,[C][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=N][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1],0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,[C][C@][C][C][C@@H1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C@H1][Ring1][O][C@@H1][Ring1][#C][C][C][C@@H1][Ring2][Ring1][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1],0
CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1,[C][N][C][C][C][=Branch2][Ring1][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][Ring2][Ring1][Ring2],0
O=C1OC(=O)c2cccc3cccc1c23,[O][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=N][=C][Ring1][#Branch2][Ring1][=Branch1],0
Cc1cc(C(=C2C=CC(=Nc3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)O)C=C2)c2ccc(Nc3ccc(S(=O)(=O)[O-])cc3)cc2)ccc1N,[C][C][=C][C][Branch2][=Branch1][#Branch2][C][=Branch2][Ring2][Branch2][=C][C][=C][C][=Branch2][Ring1][N][=N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=C][Ring1][P][=C][C][=C][Ring2][Ring2][=N][N],0
O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1,[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C],0
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(C)=O)[C@@]2(C)O1,[C][=C][C@@][Branch1][C][C][C][C][=Branch1][C][=O][C@][Branch1][C][O][C@@][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring2][Ring1][Ring2][Branch1][C][C][O][Ring2][Ring1][O],0
O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O,[O][=C][O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][O][C][O][C][Branch1][C][O-1][=C][Ring1][#Branch2][O].[O][=C][O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][O][C][O][C][Branch1][C][O-1][=C][Ring1][#Branch2][O],0
CC1(C)CCC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12,[C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@H1][C][C][=Branch1][C][=O][O][C@][Ring1][=Branch1][Branch1][C][C][C][C][C@@H1][Ring1][P][Ring1][N],0
Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1,[C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1],0
C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1,[C][N+1][Branch1][C][C][Branch1][C][C][C][C][N+1][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][Ring1][=C],0
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@@]1(C)O,[C][N][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][C][O][C@@H1][C@H1][Branch1][C][O][C@H1][Branch1][#C][O][C@H1][O][C][Branch1][Ring1][C][N][=C][C][C@H1][Ring1][Branch2][N][C@@H1][Branch1][C][N][C][C@H1][Ring2][Ring1][C][N][O][C][C@@][Ring2][Ring1][O][Branch1][C][C][O],0
C[C@]12Cc3nonc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,[C][C@][C][C][=N][O][N][=C][Ring1][Branch1][C][C@@H1][Ring1][=Branch2][C][C][C@@H1][C@@H1][Ring1][=N][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@][Ring1][=Branch1][Branch1][C][C][O],0
CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,[C][C][C][=N][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,[O][=C][C][C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch2][N][Ring2][Ring1][=N],0
CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,[C][N][C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][O][C@H1][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch2],0
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1,[O][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch1][O][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][Ring1],1
O=C(O)Cn1c2ccccc2c(=O)c2ccccc21,[O][=C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C],1
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][Branch1],0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C,[C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][N][C@H1][Ring1][S][C][C][C@@][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2][C],0
CC1(C)C(=O)C(C)(C)C1=O,[C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=O],0
O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1,[O][=C][NH1][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@H1][C][C][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1],0
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,[C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1,[O][=C][Branch2][Ring1][#Branch1][N][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1],0
CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1,[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][NH1][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2],0
O=C([O-])c1cc2cc(Cc3cccnc3)ccc2o1,[O][=C][Branch1][C][O-1][C][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][=N][O][Ring1][S],0
O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1,[O][=C][NH1][C][=Branch1][C][=O][C][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][NH1][Ring1][O],0
C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O,[C][=C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=O],0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,[C][C@][C][C][C@@H1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C@H1][Ring1][O][C@@H1][Ring1][#C][C][C][C][Ring2][Ring1][C][=O],0
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][C],0
C1COC(NC(C2CC2)C2CC2)=N1,[C][C][O][C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][=N][Ring1][=N],0
c1ccc2nc(N3CCNCC3)ccc2c1,[C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][Ring1][N][=C][Ring1][S],0
O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccccc3O1)CC2,[O][=C][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][N][Branch1][S][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][C][Ring1][P],0
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,[C][O][C@H1][C][=C][O][C@@][Branch1][C][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Branch2][Ring1][#C][C][=C][Branch1][#C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][#C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][=Branch1][C],0
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2,[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=N+1][Ring1][=C][C][C][Ring2][Ring1][=Branch1],0
O=C(C(Cl)Cl)N1CCOC12CCCCC2,[O][=C][Branch1][=Branch1][C][Branch1][C][Cl][Cl][N][C][C][O][C][Ring1][Branch1][C][C][C][C][C][Ring1][=Branch1],0
c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12,[C][=C][C][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][C][Ring1][=C][=C][Ring1][#Branch2][Ring1][=Branch1],1
c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,[C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][C][C][Ring1][P][=C][Ring1][#C][C][Ring1][=N][=C][Ring1][O][Ring1][#Branch1],1
CC(C)N1C(=O)c2ccccc2NS1(=O)=O,[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Ring1][O][=Branch1][C][=O][=O],0
c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],1
N#Cc1sc2c(=O)c3ccccc3c(=O)c=2sc1C#N,[N][#C][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][N][S][C][=Ring1][S][C][#N],0
CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1,[C][O][/C][=C][Branch1][#Branch1][/C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2],1
COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C,[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C],0
CC(Cc1ccccc1)NCc1ccccc1Cl,[C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0
O=C(CN1CCNCC1)NC1CCCCC1,[O][=C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1],0
Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
Cc1cccc(C)c1NC(=O)CN1CCCCCC1,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Ring1][#Branch1],0
CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2,[C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][Ring1][=C][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2],1
CN1CSC(=S)N(C)C1,[C][N][C][S][C][=Branch1][C][=S][N][Branch1][C][C][C][Ring1][Branch2],0
O=C(OCC1(COC(=O)c2cccnc2)CCCC(COC(=O)c2cccnc2)(COC(=O)c2cccnc2)C1O)c1cccnc1,[O][=C][Branch2][Branch1][=N][O][C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring2][O][C][=C][C][=C][N][=C][Ring1][=Branch1],0
O=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)N1,[O][=C][N-1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C],0
CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1,[C][C][Branch1][C][C][O][C][C@@H1][Branch2][Ring2][N][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C@@H1][Branch1][C][O][C][N][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][O][Ring2][Ring2][Ring1],0
O=C1CSC2(CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)N1,[O][=C][C][S][C][Branch2][Ring2][=Branch1][C][C][N][Branch2][Ring1][O][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch2][N][Ring2][Ring1][N],0
C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1,[C][C][C][N][C][C@@H1][C][C@@H1][Branch1][N][C][N][C][C][C][C][C@@H1][Ring1][#Branch2][Ring1][=Branch1][C@H1][Ring1][=N][C][Ring1][P],0
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@@H](C)O2)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O,[C][O][C@@H1][C@@H1][Branch2][Ring2][=C][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][#Branch2][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring2][Ring1][Branch1][O][C@@H1][Branch1][Ring2][C][C][=O][C][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@@H1][Branch1][C][C][O][Ring1][#Branch2][C][=C][C][=C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][Ring2][Branch1][Branch2][O],0
CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2,[C][C][C@H1][O][C@][Branch1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C@@H1][C][C@@H1][Branch2][Ring2][=N][C][C][=C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][O][C@@H1][C@H1][Branch1][C][O][C][Branch1][C][C][=C][C@@H1][Branch1][=Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][#Branch2][C@][Ring1][=C][Ring1][O][O][O][Ring2][Ring2][Ring1],0
CCN(CC)c1ccc(N=Nc2ccc(S(=O)(=O)N(C)C)cc2)c(S(=O)(=O)NCC[n+]2ccccc2)c1,[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][=N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][S],0
CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12,[C][N][C][C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2].[C][N][C][C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2].[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=C][Ring1][#Branch2],0
CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,[C][C][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0
CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1,[C][C][C][=Branch1][C][=O][O][C@@][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C].[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],0
C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21,[C][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C].[C][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C],0
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-],[C][C][Branch1][C][C][S][C@@H1][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][P][C@H1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O-1],0
c1ccc(CNc2[nH]cnc3ncnc2-3)cc1,[C][=C][C][=C][Branch1][S][C][N][C][NH1][C][=N][C][=N][C][=N][C][=Ring1][=Branch2][Ring1][Branch1][C][=C][Ring1][P],0
COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O,[C][O][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][N][C][C][O][C][Ring1][Branch1][=O],0
CC1=NNC(=O)N(/N=C/c2cccnc2)C1,[C][C][=N][N][C][=Branch1][C][=O][N][Branch1][O][/N][=C][/C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#C],0
COC(=O)N(OC)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1,[C][O][C][=Branch1][C][=O][N][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][N],1
C[C@]12N[C@H](Cc3ccccc31)c1ccccc12,[C][C@][N][C@H1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S],0
c1ccc2cc(CC3=NCCN3)ccc2c1,[C][=C][C][=C][C][=C][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][=C][C][Ring1][N][=C][Ring1][S],0
Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O,[N][C][=N][C][=Branch1][C][=O][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][N][C][C][Branch2][Ring2][Ring1][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][O][C][=O],0
CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C,[C][C][Branch1][C][C][C][O][C][C][N][Ring1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][N][C][C][O][C][Ring1][Branch1][C][Branch1][C][C][C],0
COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1,[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=N][NH1][Ring1][S],1
C=C1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C,[C][=C][C@H1][C][C][C@@H1][C@H1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][C@][Ring1][=N][Ring1][=Branch2][C],0
C=CCON/C(CCC)=C1\C(=O)CC(C)(C)C(C(=O)OC)=C1[O-],[C][=C][C][O][N][/C][Branch1][Ring2][C][C][C][=C][\C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=N][O-1],0
O=S1(=O)CCCO1,[O][=S][=Branch1][C][=O][C][C][C][O][Ring1][=Branch1],0
C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-],[C][C@H1][Branch1][#C][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][N][C][=Branch1][C][=O][O-1].[C][C@H1][Branch1][#C][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][N][C][=Branch1][C][=O][O-1],0
CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C,[C][C][Branch1][C][C][=C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring2][Ring1][C][Branch1][C][C][C],0
O=C1C=CC(=O)O1,[O][=C][C][=C][C][=Branch1][C][=O][O][Ring1][=Branch1],0
COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1,[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2],0
CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,[C][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][C][=C][C][=C][C][=N][Ring1][=Branch1],0
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][O][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][Ring2][Ring1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0
CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O,[C][C][N][C][C@][Branch1][Ring2][C][O][C][C@H1][Branch1][C][O][C][C@H1][Branch1][Ring1][O][C][C@][C][Ring1][=C][C@H1][Branch1][O][C@H1][Branch1][Ring1][O][C][C@H1][Ring1][P][Ring1][#Branch1][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][O][Branch1][Branch2][C][C@H1][Ring1][#C][Ring2][Ring1][O][C@@H1][Branch1][Ring1][O][C][C@@H1][Ring2][Ring1][Branch2][O],0
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,[O][=C][C][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#Branch1][O][Ring1][N],0
CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21,[C][C][C][N][C][C][C][C@@H1][C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][C@H1][Ring1][O][Ring1][#C],0
O=S(=O)([O-])c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1,[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring2][#Branch1][N][=N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][#Branch2][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][Ring2][Ring1][P][=C][Ring2][Ring2][=Branch1],0
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,[O][=C][Branch1][=C][C][N][C][=C][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=c1[nH]oc2c1CCNC2,[O][=C][NH1][O][C][=C][Ring1][Branch1][C][C][N][C][Ring1][=Branch1],0
O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,[O][=C][Branch2][Ring1][#C][C][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,[C][N+1][=C][C][=C][C][=Branch2][Ring1][=C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=Branch1][O][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Ring2][Ring1][C][O][C][O][Ring1][Branch2][O][C][O][Ring2][Ring1][Branch1],0
Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O,[C][C][S][C][=C][C][=Ring1][Branch1][N][Branch1][P][C][=Branch1][C][=O][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Ring1][Branch1][=O],0
O=C1CCCc2c1cc1ccc3cccc4ccc2c1c34,[O][=C][C][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1],1
O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1,[O][=C][Branch2][Ring1][N][N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][O][C][Ring1][S][=Ring1][N][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P],0
C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,[C][C@H1][C][C][C@][Branch1][Branch1][N][C][Ring1][=Branch1][O][C@H1][C][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@][Ring1][S][Branch1][C][C][C@H1][Ring2][Ring1][Ring2][C@@H1][Ring2][Ring1][=Branch2][C],0
CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1],0
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,[C][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][=C][Ring1][Branch2][C][/C][=C][Branch1][C][\C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Ring2][Ring1][C],1
O=c1ccc(=O)[nH][nH]1,[O][=C][C][=C][C][=Branch1][C][=O][NH1][NH1][Ring1][#Branch1],0
Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,[C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=C][C][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1],0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21,[C][C][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][N],0
CCO[C@@H]1O[C@H](C(COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O,[C][C][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch2][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][#C][O],0
CN(C)CCOc1ccccc1Cc1ccccc1.Nc1ccc(C(=O)O)c(O)c1,[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2],0
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,[C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C@H1][C][=Branch1][C][=O][C][=C][C@@][Branch1][C][C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][N][C][C][C@@][Ring1][S][Branch1][C][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring1][P],0
CCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1,[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][/N][=C][Branch1][C][\C][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1],0
C1CCNCC1.O=c1[nH]cnc2[nH]cc(CN3CCCCC3)c12,[C][C][C][N][C][C][Ring1][=Branch1].[O][=C][NH1][C][=N][C][NH1][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][=Ring1][N],0
CCO[C@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,[C][C][O][C@H1][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O],0
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=Branch2][Ring1][=C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][C][C][C@@H1][Ring1][O][C][Ring2][Ring1][P][O][C][O][Ring2][Ring1][Branch1][C][C][N][Ring2][Ring1][N][C],0
CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2,[C][C][Branch1][C][C][C@][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][Ring1][#Branch1][C][Ring1][Branch2],0
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,[C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][O][C][S][C][=C][C][=Ring1][Branch1][S][Ring2][Ring1][Ring1][=Branch1][C][=O][=O],0
N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl,[N][#C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][#C][Cl],1
CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O,[C][N][C][C][=Branch1][C][=O][N][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][=O],0
O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,[O][=C][Branch1][=C][O][C@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],0
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,[C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#Branch1][C@H1][Ring1][O][C][=Branch1][C][=C][C][C@@][Ring1][S][Ring2][Ring1][Ring2][C][C],0
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,[N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C][N][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][Ring1][S],0