NR-AR float64 0 1 ⌀ | NR-AR-LBD float64 0 1 ⌀ | NR-AhR float64 0 1 ⌀ | NR-Aromatase float64 0 1 ⌀ | NR-ER float64 0 1 ⌀ | NR-ER-LBD float64 0 1 ⌀ | NR-PPAR-gamma float64 0 1 ⌀ | SR-ATAD5 float64 0 1 ⌀ | SR-HSE float64 0 1 ⌀ | SR-MMP float64 0 1 ⌀ | SR-p53 float64 0 1 ⌀ | mol_id stringlengths 4 8 | smiles stringlengths 2 322 | SR-ARE float64 0 1 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX21611 | CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O | null |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX6537 | O=C1O[C@H]([C@H](O)CO)C(O)=C1O | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX570 | O=C1O[C@H]([C@H](O)CO)C([O-])=C1O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX105 | O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX106 | O=C1O[C@H]([C@@H](O)CO)C(O)=C1O | 0 |
0 | 1 | 0 | null | 0 | null | 1 | 1 | null | null | 1 | TOX276 | O=C1OC(O)C(C(Cl)Cl)=C1Cl | 1 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX25252 | CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31625 | CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1097 | CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25405 | C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25344 | CN(C)[C@@H]1C(O)=C(C(=O)NCN[C@@H](CCCCN)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)C3C[C@@H]12 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX3645 | CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12 | 0 |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX24545 | CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O | 0 |
1 | 0 | 0 | null | 0 | null | 0 | null | 0 | null | 0 | TOX25534 | CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | 0 |
1 | 0 | 0 | null | 1 | 0 | 0 | null | 0 | 0 | 0 | TOX26756 | CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | 0 |
1 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX20674 | CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | 0 |
1 | 0 | 0 | null | 1 | 1 | 0 | 0 | 0 | 0 | 0 | TOX1371 | CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | 0 |
1 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX202 | CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | 1 |
1 | 0 | null | null | null | null | 0 | null | 0 | 0 | 0 | TOX25307 | CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C | 0 |
null | 0 | 0 | null | 0 | null | 0 | 0 | null | null | 0 | TOX28560 | CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C | null |
0 | 0 | 0 | 1 | 0 | 0 | null | 0 | 0 | null | 0 | TOX12376 | COCC(C)N(C(=O)CCl)c1c(C)csc1C | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX22451 | Clc1sc(Cl)c(Cl)c1Cl | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX24490 | COC(=O)c1sccc1S(N)(=O)=O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25444 | CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC | 0 |
null | null | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX6145 | c1ccsc1 | 0 |
0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX27169 | Cc1ccc(C=O)s1 | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31496 | Cc1sccc1Br | 0 |
0 | 0 | null | null | null | 0 | 0 | 0 | 0 | null | 0 | TOX5649 | Cc1ccc2c(ccc3ccccc32)c1 | 0 |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX29277 | Brc1cc2ccccc2c2ccccc12 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX4254 | c1ccc2c(c1)ccc1ccccc12 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX25464 | CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 | 0 |
0 | null | 1 | null | null | 1 | null | null | null | 1 | null | TOX27592 | Oc1cc2ccccc2c2ccccc12 | null |
0 | 0 | 1 | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | TOX29099 | CC(=O)c1ccc2ccc3ccccc3c2c1 | null |
1 | 0 | 1 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX29112 | N#Cc1cc2ccccc2c2ccccc12 | null |
0 | null | 1 | 1 | null | 1 | 1 | 0 | 1 | null | 1 | TOX12551 | O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl | null |
0 | null | 0 | null | 0 | 0 | null | 0 | 0 | 1 | 0 | TOX3368 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | null |
0 | null | null | null | null | 0 | 0 | 0 | 0 | 1 | 0 | TOX25584 | CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F | 0 |
0 | 0 | 1 | null | null | 0 | 0 | 0 | null | 0 | 0 | TOX25694 | Cc1cccc(Nc2ncccc2C(=O)O)c1C | null |
0 | null | 1 | null | null | 0 | 0 | 1 | null | 1 | null | TOX25693 | Cc1cccc(C)c1Nc1ncccc1C(=O)O | null |
0 | null | 1 | null | null | 0 | 0 | 0 | null | 1 | 0 | TOX26121 | Cc1c(Cl)cccc1Nc1ncccc1C(=O)O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | TOX25360 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25662 | C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX28978 | NC(=O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX3137 | OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27753 | CN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX24268 | O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX26451 | CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | TOX2877 | Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 1 | TOX27827 | Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 1 | TOX26682 | CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31596 | Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3747 | Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 | 0 |
null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1159 | O=C1OC(=O)c2ccccc21 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX6102 | O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX6084 | O=C1OC(=O)c2c(Br)c(Br)c(Br)c(Br)c21 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX7805 | Cc1ccc2c(c1)C(=O)OC2=O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX6235 | O=C(O)c1ccc2c(c1)C(=O)OC2=O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX5775 | O=C1OC(=O)c2cc([N+](=O)[O-])ccc21 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX25683 | CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | null | 0 | TOX28839 | CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C | null |
0 | 0 | 0 | 0 | 1 | 1 | null | 0 | 1 | 1 | 1 | TOX2381 | CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | TOX26662 | COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX21668 | c1ccc(CCc2ccccc2)cc1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 1 | 0 | 0 | 0 | 0 | TOX26131 | O=C(O)C(Cc1cc(I)c(O)c(I)c1)c1ccccc1 | 0 |
0 | 0 | null | null | 0 | 0 | null | 0 | null | 1 | null | TOX29066 | O=CC=C(c1ccccc1)c1ccccc1 | 1 |
0 | 0 | null | null | 1 | null | null | 0 | 1 | 1 | null | TOX2485 | Oc1ccc(C(=C(Cl)Cl)c2ccc(O)cc2)cc1 | 1 |
0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | null | 0 | TOX24821 | CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 1 | null | TOX374 | ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 1 |
0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX5299 | CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 | 1 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31411 | CCC(CN)=C(c1ccccc1)c1ccccc1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27524 | NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2586 | NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O | 0 |
1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | null | 0 | 0 | TOX2915 | NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1 | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX28665 | NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O | 0 |
1 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX26462 | CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)C(O)CN)OC[C@]1(C)O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX3680 | NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX26692 | Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 | null |
1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX26201 | C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27768 | O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O | null |
1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3590 | C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1 | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25704 | COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX25619 | CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 | 0 |
0 | null | 0 | 0 | 0 | 0 | null | 0 | null | null | null | TOX5328 | O=C1OC2(c3ccc([O-])cc3Oc3cc([O-])ccc32)c2ccccc21 | null |
0 | 0 | null | null | 0 | 0 | null | 0 | 1 | null | null | TOX11089 | O=C1OC2(c3cc(Br)c(O)c(Br)c3Oc3c2cc(Br)c(O)c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | TOX25545 | O=C1OC2(c3cc(Br)c([O-])cc3Oc3c2cc(Br)c([O-])c3[Hg]O)c2ccccc21 | null |
0 | null | 0 | 0 | null | null | null | 0 | null | null | null | TOX24590 | O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br | null |
0 | 0 | 1 | null | null | 0 | 0 | 0 | 0 | null | 0 | TOX24207 | O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I | 0 |
0 | null | 0 | 0 | 1 | 0 | null | 0 | null | 1 | null | TOX18887 | O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21 | null |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2020 | CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX4317 | Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1424 | O=c1cc[nH]c(=O)[nH]1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | TOX634 | O=c1[nH]cc(F)c(=O)[nH]1 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX25941 | CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O | null |
0 | 0 | 1 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX9280 | Cn1c(N)c(N=O)c(=O)n(C)c1=O | null |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1290 | Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3612 | Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3613 | COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX24130 | Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31571 | Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX26857 | Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br | null |
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