Drug_ID stringlengths 4 8 | Drug stringlengths 2 342 | Y float64 0 1 |
|---|---|---|
TOX1036 | CCN(C)N=O | 0 |
TOX1030 | O=NN(c1ccccc1)c1ccccc1 | 0 |
TOX1031 | O=Nc1ccc(Nc2ccccc2)cc1 | 0 |
TOX1032 | CCCN(CCC)N=O | 0 |
TOX9108 | C[N+](C)(C)C | 0 |
TOX1039 | O=NN1CCCCCCC1 | 0 |
TOX2217 | COc1cc(OC)c(OC)cc1C=O | 0 |
TOX24401 | N=C(N)c1ccccc1 | 0 |
TOX24400 | CCCC[N+](CCCC)(CCCC)CCCC | 0 |
TOX24402 | CC(=O)CC(=O)OC(C)(C)C | 0 |
TOX24405 | N=C(N)NN | 0 |
TOX24404 | OCCSSCCO | 0 |
TOX24407 | Cc1ccc(C(N)=O)cc1N | 0 |
TOX24409 | ClCCCCCCCl | 0 |
TOX3295 | C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O | 0 |
TOX25227 | CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O | 0 |
TOX12548 | N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1 | 0 |
TOX131 | [Ba+2] | 0 |
TOX135 | c1ccccc1 | 0 |
TOX134 | O=Cc1ccccc1 | 0 |
TOX5849 | C=CCCC | 0 |
TOX27868 | CC(C)(c1ccccc1)c1ccccc1 | 0 |
TOX21575 | O=C(O)COCC(=O)O | 0 |
TOX5840 | Clc1ccc(C(Cl)(Cl)Cl)cc1Cl | 0 |
TOX5846 | CCCCC | 0 |
TOX29385 | N#CC(C#N)=C(C#N)C#N | 0 |
TOX29384 | C1CCC2=NCCCN2CC1 | 0 |
TOX29387 | O=C(O)c1c2ccccc2cc2ccccc12 | 0 |
TOX2666 | C[N+](C)(C)CC(=O)[O-] | 0 |
TOX29383 | COc1ccc(C=O)cc1O | 0 |
TOX29389 | O=C1C(=O)c2cccc3cccc1c23 | 0 |
TOX29388 | O=c1[nH][nH]c2ccccc12 | 0 |
TOX12591 | CC1(C)C(=O)N(Cl)C(=O)N1Br | 0 |
TOX26768 | O=C1C(I)=CC(=C(c2cc(I)c([O-])c(I)c2)c2ccccc2C(=O)[O-])C=C1I | 0 |
TOX5593 | CNC(=O)N(c1ccccc1)c1ccccc1 | 0 |
TOX5590 | CC1CCCC1 | 0 |
TOX5595 | C=CC(=O)NCNC(=O)C=C | 0 |
TOX28844 | C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1 | 0 |
TOX10189 | Nc1ccccc1-c1ccccc1 | 0 |
TOX17741 | Cc1ccc(C(=O)c2ccccc2)cc1 | 0 |
TOX14997 | CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC | 0 |
TOX1311 | CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 | 0 |
TOX3567 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | 0 |
TOX28843 | CC[C@@H](O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 | 0 |
TOX6824 | CCCCS | 0 |
TOX28842 | CC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1 | 0 |
TOX25221 | Brc1c(NC2=NCCN2)ccc2nccnc12 | 0 |
TOX14192 | C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O | 1 |
TOX26713 | C[S+](C)CCC(N)C(=O)O | 0 |
TOX26712 | NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-] | 0 |
TOX26243 | Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1 | 0 |
TOX26242 | COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1 | 0 |
TOX26245 | CCCCCCOC(=O)c1cccnc1 | 0 |
TOX26247 | C/C(=N\Cc1ccccc1)c1ccccc1O | 0 |
TOX26249 | CN1C(=O)CN2CCc3ccccc3C2c2cc(Cl)ccc21 | 0 |
TOX1359 | CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 | 0 |
TOX22007 | CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC(O)CO | 0 |
TOX22005 | CCCCCCCCCCCCCC(=O)OCC(O)CO | 0 |
TOX1358 | Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1 | 0 |
TOX7997 | C=CCN(CC=C)C(=O)C(Cl)Cl | 0 |
TOX7991 | CCCCCCCCCCCCCCCCO | 0 |
TOX4183 | C=CC(=O)OC | 0 |
TOX4077 | C1CSCCS1 | 0 |
TOX4072 | CN(C)C(=O)C(c1ccccc1)c1ccccc1 | 0 |
TOX10698 | OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | 0 |
TOX9169 | CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC | 0 |
TOX10432 | Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | 0 |
TOX20719 | CC(=O)CC(=O)Nc1ccc(C)cc1C | 0 |
TOX20718 | COc1cc(Cl)c(OC)cc1N | 0 |
TOX20711 | CCOC(=O)c1ccccc1C | 0 |
TOX20710 | C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C | 0 |
TOX20713 | CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 | 0 |
TOX20712 | CC[Sn](Br)(CC)CC | 0 |
TOX20715 | C=CC(=O)OCCOc1ccccc1 | 0 |
TOX20716 | CCC(C)(C)C1CCC(O)CC1 | 0 |
TOX24879 | CCC(CO)(CO)COCC(CC)(CO)CO | 0 |
TOX24658 | N=C1NC(=N)c2ccccc21 | 0 |
TOX24870 | C=C(C)C(=O)OCCCCOC(=O)C(=C)C | 0 |
TOX24655 | CCCCCCCCCCCC(=O)N(CC)CC | 0 |
TOX24656 | N#CCCOCCOCCC#N | 0 |
TOX24873 | C=CC(=O)OCCCCCCCCCC | 0 |
TOX24877 | CCC(=O)Nc1cccc(N)c1 | 0 |
TOX28711 | O=C(N[C@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1 | 0 |
TOX28714 | O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1 | 0 |
TOX28717 | Nc1ccn(C2CO[C@H](CO)O2)c(=O)n1 | 0 |
TOX28716 | CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1 | 0 |
TOX28719 | CCOC(=O)OCC/C(SC(=O)OCC)=C(\C)N(C=O)Cc1cnc(C)nc1N | 0 |
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 | 0 |
TOX27830 | CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 0 |
TOX27832 | OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2 | 0 |
TOX6228 | CCOP(=O)(OCC)OCC | 0 |
TOX6137 | Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O | 0 |
TOX2020 | CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O | 0 |
TOX6220 | CCOc1cc(OCC)c(C(C)=O)cc1OCC | 0 |
TOX6223 | CC(=O)OCCOCCOCCOC(C)=O | 0 |
TOX9904 | OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | 0 |
TOX6132 | Cn1cnc2c1c(=O)[nH]c(=O)n2C | 0 |
TOX3701 | CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1 | 0 |
TOX14 | CC(=O)C1C(=O)C=C(C)OC1=O | 0 |
TOX5895 | Nc1ccc(Nc2ccccc2)cc1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.