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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX20115 | Sc1nnc(S)s1 | null |
0 | 0 | 0 | null | null | 0 | null | 0 | null | null | 0 | TOX26751 | C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O | null |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX26701 | C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)C(C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX28646 | C=CC1(C)CC(OC(=O)CO)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O | null |
0 | 1 | 1 | null | null | 0 | null | 0 | 0 | null | 1 | TOX3128 | CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 | null |
0 | 1 | 1 | null | 1 | 1 | null | 1 | 0 | null | 1 | TOX27347 | CCN(CC)CCNc1ccc(CNC=O)c2sc3ccc(OC)cc3c(=O)c12 | null |
0 | 0 | 1 | null | 1 | 0 | 0 | 1 | 1 | null | 0 | TOX24691 | CC(C)c1ccc2sc3ccccc3c(=O)c2c1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | TOX3742 | CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 1 | 0 | TOX2541 | CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O | 0 |
1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | TOX22324 | CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O | 0 |
0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | null | 0 | TOX24196 | Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | null | null | null | 1 | TOX3224 | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | TOX2636 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX20691 | Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1718 | c1ccc(CC2=NCCN2)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25223 | Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX6789 | CC1COC(=O)O1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX20342 | CCC1COC(=O)O1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX6600 | O=C1OCCO1 | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX76 | Nc1nc[nH]n1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX7131 | c1nc[nH]n1 | null |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX14676 | CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25101 | C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX20608 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2718 | CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX9250 | C=CC1CC2C=CC1C2 | 0 |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX268 | O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | TOX21680 | ClC1=C(Cl)C2(Cl)C(CBr)CC1(Cl)C2(Cl)Cl | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX28552 | CCCCOC(=O)C(=O)Nc1cccc(-c2nnn[nH]2)c1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX24858 | c1ccc(-c2nnn[nH]2)cc1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX28658 | O=C(O)C(=O)Nc1cccc(-c2nnn[nH]2)c1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | TOX25332 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | null |
0 | 0 | 0 | null | 0 | 0 | null | 0 | null | null | null | TOX3658 | CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | null |
0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | null | 0 | TOX26310 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | null |
0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | null | 0 | TOX5825 | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | 1 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31402 | CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1 | 0 |
0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | null | null | TOX27759 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | null |
0 | 0 | 1 | 0 | 1 | null | 0 | 0 | 0 | 1 | 0 | TOX447 | O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccccc1 | 0 |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX310 | O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1 | 0 |
0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | null | 0 | TOX21973 | O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX7502 | Cc1cc(=O)nc(C(C)C)[nH]1 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31565 | CCOc1nc(=O)c(F)c[nH]1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX28964 | Nc1cc(=O)nc(N)[nH]1 | 0 |
0 | null | 1 | 1 | 1 | null | null | 0 | null | 1 | 1 | TOX4457 | Nc1c2ccccc2nc2ccccc12 | null |
0 | 1 | 1 | 1 | 1 | null | null | 0 | 0 | 1 | 1 | TOX1191 | Nc1ccc2cc3ccc(N)cc3nc2c1 | 1 |
0 | 1 | 1 | 1 | 0 | null | null | 0 | 1 | 1 | 1 | TOX26274 | CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 | null |
0 | null | 0 | null | null | null | null | 1 | 1 | 1 | 1 | TOX27831 | CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 | 1 |
0 | null | null | 0 | 0 | null | null | 1 | null | null | 1 | TOX29000 | CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 | null |
0 | null | null | 0 | null | null | null | 1 | 0 | null | null | TOX12278 | CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 | null |
null | null | null | 1 | null | 0 | null | null | null | 1 | 0 | TOX3294 | CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C | null |
null | 1 | 0 | null | null | 0 | null | null | 0 | 1 | 1 | TOX2933 | C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O | null |
null | 1 | 0 | 1 | 1 | 1 | null | null | 0 | 1 | 1 | TOX2934 | C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O | null |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX1039 | O=NN1CCCCCCC1 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX26966 | N=C(N)NCCN1CCCCCCC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX680 | C1CCCNCCC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX28921 | CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21 | null |
null | null | null | null | null | null | null | null | 1 | null | null | TOX2783 | CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2764 | CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21 | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25868 | Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | 1 |
0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27822 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | 1 |
0 | 0 | 0 | null | 1 | 0 | 0 | null | null | 0 | 0 | TOX25323 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 1 |
0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX2926 | CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX1802 | C1CCC(C2CCCCC2)CC1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX20722 | OC1CCC(C2CCCCC2)CC1 | 0 |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX14872 | Nc1cnn(-c2ccccc2)c(=O)c1Cl | 0 |
0 | 0 | 1 | null | 1 | 0 | 0 | 1 | 0 | 0 | 0 | TOX4234 | CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX14618 | CCOC(=O)COc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl | 0 |
0 | 0 | 0 | null | null | 0 | 0 | 0 | null | 1 | null | TOX7527 | BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br | 1 |
0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1552 | C1CCCCCCCCCCC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX7429 | OC1CCCCCCCCCCC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX26071 | CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C | 0 |
null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX11566 | Cc1cccc(C)c1NC(=O)C1CCCCN1C | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX28353 | CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C | 0 |
0 | 0 | 0 | null | 0 | 0 | null | 0 | null | 0 | 0 | TOX28596 | CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1 | null |
null | null | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | TOX26716 | COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1 | null |
0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX24226 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | 0 |
1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25103 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25384 | C[N+]1([O-])[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | null |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | null | 0 | 0 | TOX25772 | CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | null |
0 | 0 | 1 | 0 | 0 | 0 | null | 0 | 0 | null | null | TOX22399 | CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX2047 | CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 | null |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX28165 | COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27243 | CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C | 0 |
1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27006 | CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | null | 0 | 0 | TOX28951 | CC1(C)C2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX26262 | Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX18762 | Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX26397 | Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1 | null |
1 | 0 | 1 | null | 1 | 0 | 0 | 1 | 0 | null | 0 | TOX5861 | Nc1ccccc1C(=O)OCCc1ccccc1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | TOX26017 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 1 |
0 | 0 | 0 | null | 1 | 0 | 0 | 1 | 0 | 0 | 0 | TOX27590 | O=C(OCCc1ccccc1)c1ccccc1 | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | null | 0 | 0 | TOX24288 | O=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX190 | O=C1/C(=C2\Nc3ccc(S(=O)(=O)[O-])cc3C2=O)Nc2ccc(S(=O)(=O)[O-])cc21 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX6279 | O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX28901 | C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25600 | NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2982 | CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O | 0 |
0 | 0 | 1 | null | 0 | 0 | 0 | 0 | null | 1 | 0 | TOX12416 | CSc1nc(NC2CC2)nc(NC(C)(C)C)n1 | null |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX14844 | CC(C)(C#N)Nc1nc(Cl)nc(NC2CC2)n1 | 0 |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3999 | Nc1nc(N)nc(NC2CC2)n1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.