Drug_ID string | Drug string | Y int64 |
|---|---|---|
Drug 7268 | CN(C)OC(=O)COc1ccc(Cl)cc1Cl | 0 |
Drug 7270 | c1ccc2cc(C3CO3)ccc2c1 | 1 |
Drug 7272 | NC1=NC(C(=O)O)CS1 | 0 |
Drug 7279 | COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O | 0 |
Drug 7289 | COc1ccc2c3c([nH]c2c1)C1CC2C(CN1CC3)C(OC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC(OC)C2OC(C)=O | 0 |
Drug 7302 | CCOP(=S)(OCC)SCCSCC | 0 |
Drug 7306 | C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O | 0 |
Drug 7307 | O=C1c2ccccc2C(=O)c2c1ccc(C1OC(CO)C(O)C(O)C1O)c2O | 1 |
Drug 7311 | CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(C(=O)OCC(CC)CCCC)c1 | 0 |
Drug 7317 | Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3=O | 1 |
Drug 7319 | Cc1ccc2cc3c(c4c2c1CC4)C(O)C(O)c1ccccc1-3 | 1 |
Drug 7320 | CC1C=Cc2c1ccc1c2ccc2ccccc21 | 1 |
Drug 7321 | NC(=O)N(CCCC(N)C(=O)O)N=O | 1 |
Drug 7322 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 0 |
Drug 7324 | CN(C)C(=O)N(C)N=O | 1 |
Drug 7328 | c1ccc(-c2ccc(C3CO3)cc2)cc1 | 1 |
Drug 7330 | C1=CC2OC2c2cc3ccc4cccc5ccc(c21)c3c45 | 1 |
Drug 7331 | C1=CC2OC2c2c1cc1ccc3cccc4ccc2c1c34 | 1 |
Drug 7332 | c1cc2ccc3cc4c(c5ccc(c1)c2c35)CCC1OC41 | 1 |
Drug 7333 | c1cc2ccc3cc4c(c5ccc(c1)c2c35)C1OC1CC4 | 1 |
Drug 7334 | NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1 | 0 |
Drug 7341 | O=C1c2ccccc2C(=O)c2c(OC3OC(CO)C(O)C(O)C3O)ccc(O)c21 | 1 |
Drug 7346 | CCCCN(CCC(C)O)N=O | 1 |
Drug 7349 | CNC(C)Cc1ccccc1 | 0 |
Drug 7350 | CCCCC(CC)COC(=O)CCCCC(=O)O | 0 |
Drug 7351 | CC12C/C(=C/O)C(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O | 0 |
Drug 7352 | CC1CCOS(=O)(=O)O1 | 1 |
Drug 7355 | CC(C#N)CCC#N | 1 |
Drug 7356 | CC(Cl)CN(C)C | 1 |
Drug 7357 | [O-][n+]1ccc(NO)c2ccccc21 | 1 |
Drug 7360 | C/C=C1/CC(C)C(O)(CO)C(=O)OCC2=CCN3CCC(OC1=O)C23 | 1 |
Drug 7372 | CC1=CCC2C(C)=CCC(C(C)(C)C)C2C1 | 0 |
Drug 7379 | CC(=O)OC(c1ccccc1)N(C)N=O | 1 |
Drug 7381 | C1=CC2c3ccccc3OC2O1 | 1 |
Drug 7386 | O=C1c2cccc(O)c2C(=O)c2c(OC3OC(CO)C(O)C(O)C3O)cccc21 | 1 |
Drug 7389 | CC[N+]([O-])(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 | 1 |
Drug 7390 | CC[N+]([O-])(CC)CCn1nc2c3c(c(CO)ccc31)Sc1cc(Cl)ccc1-2 | 1 |
Drug 7392 | CC1CCc2c1ccc1c2ccc2ccccc21 | 1 |
Drug 7398 | CC1CN(N=O)CC(C)N1N=O | 1 |
Drug 7402 | CC1CN(N=O)C(C)CN1N=O | 1 |
Drug 7403 | CC1CN(N=O)CCN1N=O | 1 |
Drug 7404 | O=NN1CCC=C(C(=O)O)C1 | 1 |
Drug 7405 | CCCCN(CC(O)CC)N=O | 1 |
Drug 7412 | CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C | 0 |
Drug 7414 | CC(O)COC(C)(C)C | 1 |
Drug 7415 | C=C1C(=O)OC2CC(C)C3CC(OCC)OC(OCC)C3(C)CC12 | 1 |
Drug 7416 | C=C1C(=O)OC2CC(C)C3CC(O)OC(O)C3(C)CC12 | 1 |
Drug 7418 | O=NN1CCC(Br)C(Br)C1 | 1 |
Drug 7425 | c1csc(-c2nc(N3CCOCC3)c3ccccc3n2)c1 | 1 |
Drug 7429 | COc1cc2c(c3oc(=O)c4c(c13)C(Cl)C(Cl)C4=O)C1C=COC1O2 | 1 |
Drug 7430 | COc1ccc2c(ccc3c4c(ccc32)C(C)=CC4)c1 | 1 |
Drug 7431 | Cc1cc2c(ccc3ccccc32)c2c1C(C)CC2 | 1 |
Drug 7432 | CC1=CCc2c1cc(C)c1c2ccc2ccccc21 | 1 |
Drug 7433 | Cc1c2c(c3ccc4ccccc4c3c1C)CCC2C | 1 |
Drug 7434 | COc1cc2c(c3ccc4ccccc4c13)CCC2C | 1 |
Drug 7435 | Cc1cc2c(c3ccc4ccccc4c13)CCC2C | 1 |
Drug 7443 | CC(=O)OC(c1ccc2c(c1)OCO2)C1CO1 | 1 |
Drug 7444 | OC(c1ccc2c(c1)OCO2)C1CO1 | 1 |
Drug 7451 | c1ccc2c3c4c(ccc5cccc(c54)C4OC34)cc2c1 | 1 |
Drug 7458 | OC1C=Cc2c(ccc3cc4ccccc4cc23)C1O | 1 |
Drug 7467 | Nc1ccc(-c2ccc(N)c(Cl)c2)c(Cl)c1 | 1 |
Drug 7470 | C=CC(OC(C)=O)c1ccc(OC)cc1 | 1 |
Drug 7471 | C=CC(OC(C)=O)c1ccc(OC)c2ccccc12 | 1 |
Drug 7475 | Nc1ccc(N)c(Cl)c1 | 1 |
Drug 7491 | Cc1nc(N)c(C)c2c1[nH]c1ccccc12 | 1 |
Drug 7492 | CC1=NC(N)=CC2c3ccccc3NC12 | 1 |
Drug 7495 | Cc1c2ccccc2cc2c3c(ccc12)C=CC(O)C3O | 1 |
Drug 7496 | Cc1c2ccccc2cc2c3c(ccc12)C(O)C(O)C=C3 | 1 |
Drug 7511 | Cc1cc(N)ccc1NOS(=O)(=O)O | 1 |
Drug 7514 | O=C(O)C1OC(N(O)c2ccc(-c3ccccc3)cc2)C(O)C(O)C1O | 1 |
Drug 7515 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(O)(C2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(C)(O)C1O | 0 |
Drug 7522 | O=NN1CCCC(Cl)C1 | 1 |
Drug 7524 | OC1c2c(cc3ccc4cccc5ccc2c3c45)C2OC2C1O | 1 |
Drug 7525 | O=NN1CCC(c2ccccc2)CC1 | 1 |
Drug 7526 | c1ccc2c(c1)ccc1c3ccccc3c(C3CO3)cc21 | 1 |
Drug 7527 | Cc1c2ccccc2c(C2CO2)c2ccccc12 | 1 |
Drug 7531 | CNC1CC(OC2CC(O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O | 1 |
Drug 7533 | O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)C2C=COC2O1 | 1 |
Drug 7534 | CC1CC2OC(=O)C(C)C2CC2(C)C(O)CC(O)CC12 | 1 |
Drug 7535 | Cc1ccc2cc3c4c(ccc3c3c2c1CC3)C=CC(O)C4O | 1 |
Drug 7538 | OCC1CCC(n2cnc3c(O)ncnc32)O1 | 1 |
Drug 7544 | CC1CCCCN1N=O | 1 |
Drug 7546 | c1cc2c(cc1CC1CO1)OCO2 | 1 |
Drug 7547 | N=c1ccn(C2CCC(CO)O2)c(=O)[nH]1 | 1 |
Drug 7551 | O=C(O)C1(O)CC(O)C(O)C(O)C1 | 0 |
Drug 7552 | COP(=O)(OC)O/C(C)=C/C(=O)OC(C)c1ccccc1 | 0 |
Drug 7554 | ClC1CO1 | 1 |
Drug 7560 | ClCC1(C(Cl)Cl)C2CC(Cl)(Cl)C1(CCl)C(Cl)C2Cl | 1 |
Drug 7563 | CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)O | 1 |
Drug 7568 | CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C | 0 |
Drug 7587 | CCCCCCCCCCCCOCCO | 0 |
Drug 7593 | CCOP(=S)(CC)Sc1ccccc1 | 0 |
Drug 7598 | C=C(C)C1CC=C(C)C(OC(C)=O)C1 | 0 |
Drug 7602 | CC/N=c1\cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OC)c-2cc1C | 0 |
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