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O=C1CCN(Cc2cccnc2)CCN1[C@H](CO)c1ccccc1 | 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 | 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 | null | 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOc1cc(NC(=S)Nc2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 | null | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 0 | null | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | null | null | 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 | null | 0 | 0 | 0 | 1 | 1 | 0 | null | 0 | 0 | 0 | null | null | 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 |
C=C(C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 | null | 0 | null | null | 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1S2 | 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 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | null | 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 | 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 |
CC(C)Oc1ccc2nnnn2n1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 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 |
CC(C)(C)C(=O)COC(=O)c1ccccc1O | 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 | null | 0 | null | 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 | 0 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(C(=O)COC(=O)C(CC(C)C)NC(=O)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 | 0 | null | 0 | null | null | null | null | null | null | null | 0 | null | null | 0 | 0 | 0 | 0 | 0 | null | 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 |
Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 1 | null | 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 | 1 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 1 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | null | null | 0 | null | null | null | null | null | null | null | null | 0 | 0 | null | null | 0 | 0 |
OCCCN=C1CCCCC1 | 0 | 0 | 0 | null | 0 | 0 | null | null | null | null | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | null | null | 0 | 0 | 0 | null | 0 | 0 |
O=C(Nc1nccs1)c1ccc(Cl)cc1[N+](=O)[O-] | 0 | 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 | 1 | 0 | null | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 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 |
CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)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 | null | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 1 | 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 | 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(NC2=NC(=O)/C(=C/C=C/c3ccco3)S2)cc1C | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | null | 0 | 0 | null | null | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 1 | 1 | null | 1 | 0 | 0 | null | 0 | null | null | null | 0 | null | 0 | 0 | 1 | null | 0 | 0 | 1 | 1 | 0 | 0 | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | null | null | 0 | 1 | 1 | 1 | null | null | 0 | 0 | null | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | 0 | null | 0 | null | 0 | 0 | 0 | 1 | 0 | null | null | null | null | null | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCOCC1 | 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 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 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 | 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 |
CCOC(=O)C1CCN(C(=O)CC2(CC(=O)O)CCCC2)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 | 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 | 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 |
CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(OC)cc1 | 0 | 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 | null | 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 | 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 |
COc1ccc(OC)c(NC(=O)Cn2c(=O)oc3ccccc32)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 | 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 | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | null | null | 0 | null | null | 0 | null | null | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 |
Cc1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=S1(=O)N=C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21 | null | 0 | 0 | null | 0 | 0 | 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 | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | null | 0 | null | 0 | 0 | 0 | null | 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 |
Cc1ccccc1CSCC(=O)Nc1ccccc1Br | 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 | 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 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 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 |
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccccc1 | null | null | null | null | null | null | null | null | null | null | null | null | 0 | 0 | null | 0 | null | 0 | null | null | 0 | 0 | 0 | 0 | null | 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 | 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 | 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 |
NNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 | 0 | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 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 | 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 | null | 0 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(-c2cc(C(F)F)nc(N3CCC(C)CC3)n2)cc1 | 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 | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 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(OCCCCn2nnc3sc4c(c3c2=O)CCC(C)C4)c1 | 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 | null | 0 | null | null | 1 | null | null | null | null | 0 | null | null | 0 | null | null | null | 1 | 0 | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | 0 | null | null | null | null | null | 0 | 0 | 0 | null | 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 |
O=C1CN(C(=O)COC(=O)c2ccc(Cl)cc2)c2ccccc2N1 | 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 | null | 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 | 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21 | 1 | 0 | null | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | null | null | null | null | null | 0 | null | null | 0 | 1 | 0 | 1 | 1 | 0 | 1 | 0 | null | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | 0 | null | null | 1 | 1 | 0 | null | 0 | 0 | null | 1 | 1 | 0 | null | 0 | 0 | 1 | 1 | null | 1 | null | null | 1 | 1 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | null | null | 0 | null | 0 | 1 | 0 | 1 | null | 1 | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 1 | 0 | 0 | null | 1 | 1 | 0 | 0 | 1 | 1 | 1 | null | null | 1 | null | null | 1 | 0 | null | 0 | 1 | 1 |
Cc1ccc(NC(=O)C2C3C=CC(O3)C2C(=O)O)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 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 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 |
CCC1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1 | null | 0 | 0 | null | 0 | null | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | null | null | 0 | null | 0 | 0 | 0 | 0 | 0 | 1 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | null | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | null | null | 0 | null | null | 0 | null | null | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 |
OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | null | null | null | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | null | null | null | null | 0 | 0 | null | 0 | 0 | 0 | null | null | null | null | null | null | null | null | 0 | 0 | null | null | null | null | null | null | null | 0 | 0 | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | null | null | null | null | null | 0 | null | null | null | null | null | null | null | null | null | null | null | 0 | null | null | null | null | null | null | 0 | null | 1 | 1 | null | 1 | null | null | null | 1 | null | null | null | null | null | null | null | 0 | 0 | null | 0 | 0 | 0 | null | null | 1 | null | null | null | null | null | null | null | null | 0 | null | 0 |
COc1ccc(/C=C/c2nnc(NC(=O)COc3cccc(C)c3)s2)cc1 | null | 0 | 0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 1 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | null | 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 | null | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 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 |
Cc1ccc(N(Cc2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)S(C)(=O)=O)cc1C | 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 | 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 | null | 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)OC(C)C)sc(NC(=O)C2CCCO2)c1C(=O)OC(C)C | 0 | 0 | 0 | null | 0 | 0 | null | 1 | 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 | null | 0 | null | 0 | 0 | 0 | null | 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 | null | 0 | 0 | 0 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | null | null | 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 |
O=C(COc1ccc(F)c(Cl)c1)NC(=O)NC1CCCC1 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 | null | 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 |
O=C(O)C[n+]1ccccc1.c1ccncc1 | 0 | 0 | 0 | null | 0 | 0 | null | null | null | null | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 |
CCn1cc(CN2CCc3c([nH]c4ccccc34)C2c2cccc(O)c2)c(C)n1 | 0 | 0 | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | null | 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 | null | 0 | 0 | 0 | null | 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 |
CCCCNC(=O)c1ccc(SCC(=O)N(CC)CC)c([N+](=O)[O-])c1 | 0 | 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 | 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 | 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 |
CCCNC(=O)c1ccc(SCC(=O)N(CC)CC)c([N+](=O)[O-])c1 | 0 | 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 | null | 0 | null | 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 | 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(=N/Nc1ccc(F)cc1)c1ccc(Cl)s1 | null | 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 | 0 | 0 | 0 | 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 | 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(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3cccc(C(=O)O)c3)C2=O)cc1 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0 | 0 | 0 | null | null | 0 | 0 | 1 | null | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | null | 1 | 0 | 0 | 0 | null | 0 | null | 0 | null | null | 1 | 1 | 1 | 0 | null | null | null | 0 | 0 | 0 | null | null | null | null | 0 | 0 | null | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | null | 0 | 0 | 0 | 0 | 0 | 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 |
COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)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 | null | null | 0 | 0 | 0 | 0 | null | 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 | 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 |
OCC[C@@H]1C[C@@H](O)[C@H](O)[C@@]2(OCCc3ccccc32)O1 | 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 | null | null | 0 | 0 | 0 | 0 | 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 | 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(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | 0 | 0 | 1 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | null | 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 |
COc1ccc(-c2oc3cccnc3c2C#CC2(O)CCCCC2)cc1 | null | null | null | null | null | null | null | null | null | null | null | null | 0 | 0 | null | 0 | 0 | null | null | null | 0 | 0 | 0 | 0 | null | null | 1 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 1 | 0 | 0 | 0 | 0 | null | null | null | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | null | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 1 | 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 |
CC(=O)c1ccc(OCc2cc(C(=O)NC3CCCCC3)no2)cc1 | null | null | null | null | null | null | null | null | null | null | null | null | 0 | 0 | null | 0 | null | 0 | null | null | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | null | 0 | 0 | 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 | null | 0 | 0 | 0 | 0 | 0 | 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 |
CSc1ccccc1OCc1cc(C(=O)NCc2cnc(C)cn2)no1 | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0 | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 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)c1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cs1 | 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 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 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 |
OCC[C@@H]1C[C@@H](O)[C@H](O)[C@]2(OCCCc3ccccc32)O1 | 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 | null | 0 | 0 | 0 | 0 | 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 | 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 |
COc1ccccc1Nc1ncnc2ccccc12 | 0 | 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 | 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 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | null | null | null | 0 | null | null | 0 | null | null | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 |
COC(=O)c1ccc2c(CCO)c[nH]c2c1 | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | null | null | 0 | 0 | 0 | 0 | null | 0 | 1 | 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 | 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 |
Cn1c2ccccc2c(=O)c2ccc(C#Cc3ccc(N)cc3)cc21 | 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 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 1 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | null | null | 0 | null | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | null | 1 | null | 0 | null | 0 | 0 | 0 | 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 |
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 0 | 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 | 0 | null | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | null | 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 |
N#C/N=c1\snc(-c2ccccc2)n1-c1ccc(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 | 0 | 0 | null | null | null | null | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | null | 0 | null | 0 | null | null | null | 0 | null | null | null | null | null | null | null | null | null | null | 0 | null | null | null | 0 | null | null | null | null | null | null | null | null | 1 | 1 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 | null | null | null | null | null | null | 0 | null | 0 | 0 | null | 0 | null | null | null | null | null | 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 | 0 | 0 | null | null | null | null | null | 0 | 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 | null | 0 | null | null | 0 | null | 0 | null | null | null | 1 | 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 |
CCNC(=O)N(C)c1c(CC)nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn12 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 |
COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CCN(C)C4)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 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 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 |
COc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)N1CCC3CC1 | null | null | null | null | null | null | 0 | null | 0 | 0 | null | 0 | null | null | null | null | null | 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 | 0 | 0 | null | null | null | null | null | 0 | 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 | 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(NC(=O)NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 | 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 | 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 | 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 |
CCOC(=O)CCP(=O)(O)C(O)(c1ccccc1)c1ccccc1 | 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 | null | 0 | null | 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 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 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 |
NC(=O)c1ccsc1NC(=O)c1ccco1 | 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 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 1 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 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 | 0 | 0 | 0 | 0 | null | 0 | 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 |
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)cc1 | null | null | null | null | null | 0 | null | null | null | 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 | null | null | null | null | null | 1 | null | null | 0 | 0 | null | 0 | 0 | 0 | null | null | null | null | null | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 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 | 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 |
CCCn1nc(NC(=O)C(C)(C)C)c2cc3cc(OC)ccc3nc21 | 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 | 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 | null | 1 | 1 | 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 |
Cc1cc(C(=O)NCC(=O)OCC(=O)NCC2CCCO2)ccc1[N+](=O)[O-] | 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 | 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 | 1 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NCc1cccs1 | 0 | 0 | 0 | 0 | 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 | 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 | 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 | 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 |
CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 | 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 | 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 | 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 | 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 |
CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NCC1CCCO1)c1ccc(F)cc1 | 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 | null | 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 |
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C(C(=O)NCC1CCCO1)c1ccc(F)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 | 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 | 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 | 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(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccn2)C1=O | 0 | null | null | 0 | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 1 | 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 |
COc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)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 | 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 | null | null | null | 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 |
COc1cccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)c1 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0 | 0 | 0 | null | null | null | 0 | 0 | 0 | 0 | null | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 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 |
CSc1sccc1/C=C(/C#N)C(=O)c1ccco1 | 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 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | null | 0 | null | 0 | 1 | null | 0 | 0 | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 1 | null | 0 | 0 | 0 | 0 | null | 0 | 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 |
COc1ccc2c(C)c(CCC(=O)NCc3ccccc3OC)c(=O)oc2c1 | 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 | 0 | 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 | null | 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 | null | 0 | null | null | null | null | null | null | null | null | 0 | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1cccc(Cl)c1 | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | null | 0 | 0 | 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 | 1 | 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 |
CCOC(=O)CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 | null | null | null | null | null | null | 0 | null | 0 | 0 | null | 0 | null | null | null | null | 0 | null | null | null | null | null | null | 0 | null | null | null | null | null | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 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 | null | 0 | null | null | null | null | 0 | null | null | null | null | null |
Cc1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1 | null | null | null | null | null | null | 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 | 0 | 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 | null | 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 | null | 0 | null | null | null | null | null | null | null | null | 0 | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
CCOC(=O)CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 | null | null | null | null | null | null | 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 | 0 | 0 | 0 | null | null | null | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 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 | null | 0 | null | null | null | null | null | null | null | null | 0 | null | 0 | null | null | null | null | null | null | null | null | null |
Cc1ccccc1C(=O)NCC1(N(C)C)CCCCC1 | null | null | null | null | null | null | 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 | 0 | 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 | null | 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 |
O=C(Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)c1ccc(Br)cc1 | null | null | null | null | null | null | 0 | null | null | 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 | 0 | 0 | 0 | null | null | null | null | 0 | 0 | 0 | null | 0 | 1 | 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 | 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 |
Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)COc4ccccc4F)cc3s2)c1 | null | null | null | null | null | null | null | null | null | 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 | null | 0 | 0 | 0 | null | null | 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 | 0 | null | null | null | 0 | null | 0 | null | null | null | 1 | 1 | null | null | null | null | null | 0 | 0 | null | null | null | null | 0 | 0 | null | null | null | null | null | null | null | null | 1 | null | null | null | null | null | null | null | null | null | null | null |
On1c(-c2ccco2)nc2c1CCc1nonc1-2 | 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 | 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 | 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 | 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 |
COc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1Cl | null | null | null | null | null | null | 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 | 0 | 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 | null | 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 |
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)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 | 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 | 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 |
CC(C)(C)C1=CC(=CNOCC(=O)O)C=C(C(C)(C)C)C1=O | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 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)CSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 | null | null | null | null | null | null | 0 | null | null | 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 | 0 | 0 | 0 | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | null | null | null | null | 1 | null | null | null | null | null |
CN(C)C1(CNC(=O)c2ccc(C(C)(C)C)cc2)CCCCC1 | null | null | null | null | null | null | 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 | null | 0 | 0 | 0 | 0 | 0 | null | null | null | null | 0 | 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 | null | 0 | null | null | 0 | null | 0 | 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 |
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccnc2)c1 | 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 | 1 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOc1ccccc1C1c2cc3c(cc2OC(C)(N2CCCC2)C1C)OCO3 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 | 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 | 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 |
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCc1ccco1 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | null | null | 0 | 0 | null | 0 | 1 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 1 | 1 | 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 | 1 | 1 | null | 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)c1cc(-c2ccccc2)n(CC(=O)NC2CCCCCC2)c1C | null | null | null | null | null | null | 0 | null | 0 | 0 | null | 0 | null | null | null | null | null | 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 | 0 | 0 | null | null | null | null | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 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 | 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 |
CC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccc(C)cc2C)c1C | null | null | null | null | null | null | 0 | null | 0 | 0 | null | 0 | null | null | null | null | null | 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 | 0 | 0 | null | null | null | null | null | 0 | 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 | null | null | null | 0 | null | 0 | null | null | null | 0 | null | null | null | null | null | null | 0 | 0 | null | null | null | null | 0 | null | null | null | null | null | null | null | null | null | 0 | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
CC(=O)c1cc(-c2ccccc2)n(CC(=O)NC2CCCC2)c1C | 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 | 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 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 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 |
CCC(C)(C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C | 0 | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 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 | 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 |
Cc1ccccc1OCCNC(=O)c1ccc2ccccc2n1 | 0 | 0 | 0 | 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 | null | 1 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 1 | null | null | 0 | 0 | 0 | 0 | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 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 |
CC(C)=NNC1=NC(=O)C(c2ccccc2)S1 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 | 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 | 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 |
COc1cccc(NC(=O)N(Cc2cn(C)c3ccccc23)C2CCCCC2)c1 | 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 | null | null | null | null | null | null | null | null | 0 | 0 | null | null | null | 1 | 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 | null | 0 | null | null | null | null | null | null | null | null | null | null | null | 0 | null | null | null | 1 | 1 | null | null | null | null | null | 0 | 0 | null | null | null | null | 0 | 0 | null | null | null | null | null | null | null | null | null | 0 | null | null | null | null | 0 | null | null | null | null | null |
CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)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 | 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 | null | 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(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NCc1ccco1 | null | 0 | 0 | null | 0 | 0 | 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 | null | 0 | 0 | 1 | 0 | 0 | 0 | null | 1 | 1 | 0 | null | null | null | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | null | null | 0 | null | null | 0 | null | null | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 |
CCCNC(=O)c1nc2ncc(Br)cn2n1 | 0 | null | 0 | 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 | 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 | null | 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 |
Cc1sc2ccccc2[n+]1CCC(C)S(=O)(=O)[O-] | 0 | 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 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 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(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2cc(Br)ccc21 | 1 | 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 | 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 | null | 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 | null | 0 | 0 |
Cc1ccc(C)c(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 | 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 | null | 0 | null | null | 0 | null | null | null | null | 0 | null | null | 0 | 0 | null | 0 | 0 | 0 | null | null | null | null | 0 | 0 | 0 | 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 | 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 |
COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCC4c4cccnc4)cc3n2)c1 | 1 | 0 | null | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | null | null | 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 | null | 0 | 0 | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | null | 0 | 1 | 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 | 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 |
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