Drug_ID string | Drug string | Y int64 |
|---|---|---|
Drug 1304 | NCCNCCN | 0 |
Drug 1305 | COc1ccc(S(=O)(=O)n2ncc(Cl)c(Cl)c2=O)cc1 | 0 |
Drug 1307 | c1ccc2[nH]nnc2c1 | 1 |
Drug 1308 | CC(=O)/C=C\c1ccc2c(c1)OCO2 | 0 |
Drug 1309 | CN(N=O)C(=O)c1c(N(C)C(=O)OC(C)(C)C)ncn1C | 1 |
Drug 1311 | O=C(/C=C/c1ccccc1)c1ccc(F)cc1 | 0 |
Drug 1312 | Cc1ccc2cc3c(ccc4ccccc43)c3c2c1C[C@@H]3O | 1 |
Drug 1313 | CC[C@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC | 1 |
Drug 1314 | C=Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl | 0 |
Drug 1316 | CCC=O | 0 |
Drug 1318 | OC1C=Cc2c(ccc3cc4c(ccc5ccccc54)cc23)C1O | 1 |
Drug 1319 | C[N+](C)(C)CCCl | 0 |
Drug 1323 | C=C(C)C(=O)OCC(C)O | 0 |
Drug 1324 | Cc1cccn2c1nc1ccc(NO)nc12 | 1 |
Drug 1325 | COc1cc(OC)c(OC)cc1C=O | 0 |
Drug 1326 | COc1nsc2c(OCC3CO3)cccc12 | 1 |
Drug 1331 | CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O | 0 |
Drug 1332 | COC(=O)c1cc2c(c3c1ccc1c(OC)cccc13)OCO2 | 1 |
Drug 1333 | CCOC1=CC(=O)C(NC(C)=O)=CC1=O | 1 |
Drug 1334 | BrC(Br)C(Br)(Br)Br | 0 |
Drug 1337 | CCNc1nc(O)nc(NC(C)C)n1 | 0 |
Drug 1338 | C[C@@H](O)CCl | 1 |
Drug 1339 | Nc1ccc2c(c1)-c1cccc3cccc-2c13 | 1 |
Drug 1341 | COc1ccc(C(=O)c2ccccc2)c(O)c1 | 0 |
Drug 1342 | O=C(O)c1ccccc1C(=O)O | 0 |
Drug 1343 | CN(C)CCCNc1c2ccccc2nc2c(F)ccc([N+](=O)[O-])c12 | 1 |
Drug 1345 | CC1(C)Cc2ncccc2-c2nc(N)sc21 | 1 |
Drug 1346 | C=CC(=O)OC[C@H](CC)CCCC | 0 |
Drug 1347 | Oc1ccccc1/C=N/c1snc2ccccc12 | 0 |
Drug 1348 | CC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2 | 1 |
Drug 1349 | Oc1cccc(Nc2ccccc2)c1 | 0 |
Drug 1351 | O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21 | 0 |
Drug 1353 | CC(C)(C)OCO | 0 |
Drug 1356 | CCCCCCCC(=O)O | 0 |
Drug 1357 | Cn1ccc2c3c(ccc4ccc(O)cc43)ccc21 | 1 |
Drug 1358 | CC(=O)OCc1c2ccccc2c(C)c2c1ccc1ccccc12 | 1 |
Drug 1361 | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@H]3[C@@H](CO)O[C@@H](n4cnc5c(N)ncnc54)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)n1 | 0 |
Drug 1363 | Cc1cccc(OC[C@@H](O)CNC(C)(C)C)c1C | 0 |
Drug 1364 | CC(=O)Oc1cc(C=O)cc2c1C(COC(N)=O)C1(OC(C)=O)ON2CC2C1N2C(C)=O | 1 |
Drug 1365 | OC1c2c(ccc3ncccc23)C2OC2C1O | 0 |
Drug 1366 | CN(C)c1ccc(N(C)C)cc1 | 1 |
Drug 1367 | CCCN(C(=O)CCCl)c1snc2ccccc12 | 1 |
Drug 1368 | COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1 | 1 |
Drug 1369 | Nc1ncc([N+](=O)[O-])s1 | 1 |
Drug 1371 | CCCCCCCCCCCCCCCCCCN | 0 |
Drug 1376 | COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O | 1 |
Drug 1377 | ClC(Cl)(Cl)Br | 1 |
Drug 1378 | CC[C@@H]1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1 | 0 |
Drug 1379 | Cc1cccc2nc(O)c(O)nc12 | 1 |
Drug 1380 | O=[N+]([O-])c1cccc2nc3ccccc3nc12 | 1 |
Drug 1381 | O=[N+]([O-])c1cccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 | 1 |
Drug 1382 | CN(Cc1ccc(Br)cc1)N=O | 1 |
Drug 1384 | CC(=O)Nc1ccc(-c2ccc(NC(C)=O)cc2)cc1 | 1 |
Drug 1386 | O=[N+]([O-])c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1 | 1 |
Drug 1387 | COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O | 0 |
Drug 1388 | CC(=O)Nc1ccc(Oc2ccc(N(OC(C)=O)C(C)=O)cc2)cc1 | 1 |
Drug 1389 | CCCCCCCCCCCCCCCC(=O)O | 0 |
Drug 1391 | COc1ccccc1O | 0 |
Drug 1392 | Cc1ccc2c(C)c3c(nc2c1)-c1ccccc1C(O)C3O | 0 |
Drug 1394 | O=C1CCCCCCCCCCCCCCO1 | 0 |
Drug 1395 | C[N+]([O-])=NC[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O | 0 |
Drug 1396 | C=CCCl | 1 |
Drug 1397 | NC(CSC(F)(F)C(F)F)C(=O)O | 0 |
Drug 1398 | C/C=C/c1cccc(OC)c1OC | 1 |
Drug 1399 | O=[N+]([O-])c1ccc([N+](=O)[O-])cc1 | 1 |
Drug 1401 | NC(=O)c1ccccc1 | 0 |
Drug 1402 | CCCCN(CCCC)CCCC | 0 |
Drug 1403 | Oc1ccc2ccc3c4ccccc4ccc3c2c1 | 1 |
Drug 1404 | c1ccc2nc3c(cc2c1)-c1cccc2cccc-3c12 | 0 |
Drug 1405 | CN(C)CCNC(=O)c1cccc2nc3ccccc3nc12 | 1 |
Drug 1408 | CCC/C=C(\C=O)CC | 0 |
Drug 1411 | O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 | 1 |
Drug 1413 | C/C(Cl)=C\C=O | 1 |
Drug 1415 | O=[N+]([O-])c1ccc2c(c1)nc(/C=N/OCc1ccccc1[N+](=O)[O-])n2Cc1ccccc1 | 1 |
Drug 1416 | Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1 | 0 |
Drug 1422 | CN(C)CCNC(=O)c1cccc2ncc(-c3ccccc3)nc12 | 1 |
Drug 1423 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 1 |
Drug 1424 | CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC | 0 |
Drug 1427 | C=CCOC[C@H]1CO1 | 1 |
Drug 1428 | CC[C@@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])o1 | 1 |
Drug 1431 | CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C | 0 |
Drug 1432 | COc1ccc2c(c1)C1CCCCC1C=C2 | 1 |
Drug 1435 | CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O | 0 |
Drug 1437 | CCOc1ccc(NC(=O)C[C@@H](C)O)cc1 | 1 |
Drug 1439 | OC[C@@H]1CO[C@@H](CCI)O1 | 1 |
Drug 1440 | O=C(Nc1ccccc1)c1csc([N+](=O)[O-])c1 | 1 |
Drug 1441 | CC(C)CCOC(=O)CC(C)C | 0 |
Drug 1442 | ClCc1ccncc1 | 0 |
Drug 1444 | Cc1ccc(COS(=O)(=O)c2ccc(C)cc2)cc1 | 0 |
Drug 1445 | O=C(O)COc1cc(Cl)c(Cl)cc1Cl | 0 |
Drug 1447 | Brc1ccc2c(c1)C1OC1C1CCCCC21 | 0 |
Drug 1448 | CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4c5ccoc5C=CC4(C)C2CCC1C3 | 0 |
Drug 1450 | O=[N+]([O-])c1cccc(CO)c1 | 0 |
Drug 1453 | CSc1ccc(Cl)cc1 | 0 |
Drug 1454 | CC(=O)c1ccc(NO)cc1 | 1 |
Drug 1455 | O=C(O)c1cc(O)c(O)c(O)c1 | 0 |
Drug 1456 | C=CCN1C2c3ccccc3-c3ccccc3C21 | 1 |
Drug 1457 | Cc1c2ccc3ccccc3c2cc2ccc(O)c(O)c12 | 1 |
Drug 1458 | CCC(CCC(C)O)COC(=O)CCCCC(=O)O | 0 |
Drug 1459 | Nc1ccc([N+](=O)[O-])cc1N | 1 |
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