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| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](C)C(=O)O)c12)OC(C)(C)CC3
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCC(C)N1C(=O)CCC1C(=O)O
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cc(C(C)=O)ccc1OCc1cn(CC(=O)c2ccc(O)cc2)nn1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 1
| 0
| null | null | null | null | null | 1
| 0
| null | 0
| null | 0
| 0
| 0
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(S(=O)(=O)N(c2cc(Cl)c(O)c(Cl)c2)P(=O)(OC(C)C)OC(C)C)cc1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(c2ccccc2)CC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
O=C(COC(=O)c1ccc(Cl)cc1)NC(=O)NC1CCCC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COC(C(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C
| null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | null | null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCN1C(=O)C(O)(CC(=O)c2c(C)coc2C)c2ccccc21
| null | null | null | 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(=O)Nc1ccc(NC(=O)c2ccc3sc([C@H]4C[C@H](O)[C@@H](CO)O4)nc3c2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cc(-c2cnc3c(NC=O)cc(-c4cccc(C(F)(F)F)c4)cn23)cc(OC)c1OC
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 1
| 1
| 0
| null | 0
| null | null | null | null | 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(=O)NCCNc1nc2cc(-c3cnn(CCC(C)C)c3)sc2c(=O)n1C
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CN1CCCCC1(C)C(=O)NCc1cc(Cl)ccc1F
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cccc(Nc2nc(C(N)CCc3ccccc3)cs2)n1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 1
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
c1ccn2cc(-c3ccc4c(c3)OCO4)cc2c1
| null | 0
| null | 0
| 0
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 1
| null | 1
| 0
| 0
| 0
| null | 1
| 0
| 0
| null | 0
| 0
| 1
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(c1cccc(-c2cncc3nccn23)c1)N1CCOCC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)Cc1ccc(Cl)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CNc1cccc(-c2ccccc2CO)n1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCCOc1ccc(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)c2cccc(F)c2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCCCNC(=O)CCc1ccccc1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
Cc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1C
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(C)c(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(COC(=O)/C=C/c1ccccc1)NC1CCCC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CN[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@H]2O)OC[C@@]1(C)O
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | 0
| null | null | 0
| null | null | 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
|
CC1CCCN(CCOCCOc2ccc(Cl)cc2Br)C1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 1
| null | 0
| null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)C(F)(F)F)CC2
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| 1
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
| 1
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2ccccc2OCC(=O)O)N(c2ccc(C)cc2)N1
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | null | 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Brc1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(OC)c1OC
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CSc1nnnn1CCn1nnnc1SC
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
COCc1cc(=O)n2c(-c3ccc(C)cc3)n[nH]c2n1
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | 0
| null | null | 1
| null | null | 0
| null | null | 1
| 0
| 0
| null | 0
| null |
COc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(O)c1cccc(N2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)c1
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(-c2c(C(=O)NCCc3ccccc3)oc(=O)c3ccccc23)cc1
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | 0
| null | null | null | 0
| null | null | 1
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | 0
| null | null | null | null | null |
COc1ccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1ccc(-c2c(C(=O)N3CCN(c4cccc(C)c4)C(C)C3)oc(=O)c3ccccc23)cc1
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | null | null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| null | null | 0
| null | 1
| null | null | null | null | 1
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)cc1
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1ccc(-c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)oc(=O)c3ccccc23)cc1
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1ccccc1NC(=O)Cn1nnc(C(=O)NCCc2ccccc2)c1N
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | 1
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | 0
| null | 0
| null | null | null | 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1ccc(CCNC(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)cc1
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| null | null | 0
| null | null | null | null | null | 1
| null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2ccco2)c1N
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 1
| 1
| 1
| null | 0
| null | 0
| null | 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)[O-])C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | null | null | 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | null | null |
COC(=O)C1=C(C)N(C)C(=S)NC1c1ccc(OC)cc1OC
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCCc3ccccc3)ccc21
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)cc1
| null | null | null | null | null | 0
| null | null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | 1
| 0
| 0
| 0
| 0
| 1
| null | null | null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| null | null | null | 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 1
| 0
| null | null | null | null | null | null | null | null | null | null |
O=S(=O)(NCC1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
Cc1cccc(OCCOCCN2CCNCC2)c1C
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCCC2
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 1
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| 0
| null | null | 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCCO2
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
| null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | null | null | null | null | null | 1
| null | null | null | null | null | null | null | null | null | null | 1
| 1
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 1
| 1
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=[N+]([O-])c1ccccc1/C=C/c1ccc2ccccc2n1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | 0
| null | null | null | 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 1
| null | null | null | null | 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | 0
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCC(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1
| null | 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | null | 1
| null | 0
| 0
| 0
| null | 0
| null | null | 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 1
| 1
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null | 0
| null | null | 1
| 0
| 0
| 0
| 0
| 0
|
CCNc1nc(NCC)n2c(SCC(=O)O)nnc2n1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
COc1ccc(C(=O)O)cc1S(=O)(=O)NCCN(C)C
| 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(CNc2cc(C)cc(C)c2)cc1OC
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(Nc1ccncc1)c1ccc2ncsc2c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CSc1nncc(/C(C)=N\Nc2cccc(C)c2)n1
| 1
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(Nc1ccncc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 1
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOc1ccc(C(=O)CCC(=O)Nc2ccncc2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1c(C(=O)NCCSCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1
| 0
| null | null | 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=[N+]([O-])c1cccc(-c2nc(N3CCOCC3)c3ccccc3n2)c1
| 1
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | 0
| null | null | 0
| null | 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(NC(=O)C(C)N(C)Cc2ccc3ccccc3c2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(CCc1ccccc1)NC(=O)C(Cc1ccccc1)NC(N)=O
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1c(C(=O)NCCSCc2c(F)cccc2Cl)cnn1-c1ccc(Cl)cc1
| null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 1
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc23)cc1S(=O)(=O)NC(C)C
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)Nc2cccc(C(=O)O)c2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(C(=O)NCC2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1c(C(=O)NCCSCc2ccc(F)cc2)cnn1-c1ccc(Cl)cc1
| 0
| null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(OC)c(NC(=S)Nc2ccccc2)c1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 1
| null | null | 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)c2ccc(F)cc2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
|
O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(-c2nnc(CCC(=O)NCc3csc(C)n3)o2)s1
| null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCCOCCCNC(=O)N[C@H](C(=O)OC)C(C)CC
| null | null | null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
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