Drug_ID float64 | Drug string | Y int64 |
|---|---|---|
644,851 | Clc1ccccc1-c1nc(-c2ccccc2)n[nH]1 | 1 |
644,890 | COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCN(Cc2ccncc2)CC1 | 1 |
645,164 | CCC(c1nnnn1CC1CCCO1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O | 0 |
6,602,688 | Br.N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(Cl)c(Cl)c1 | 1 |
5,768,708 | COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)C2c2ccc(OC)cc2)cc1 | 0 |
645,448 | CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)OC)C(=O)C(C)(C)O2 | 1 |
646,293 | Cc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1 | 1 |
646,345 | O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 | 0 |
646,353 | CCOC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 | 0 |
646,427 | FC(F)(F)c1ccc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)nc1 | 1 |
646,515 | CCOC(=O)C(NC(C)=O)C(OC(C)=O)c1cccc(N(CCO)CCO)c1 | 0 |
646,897 | CN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O | 1 |
647,205 | CC(C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 | 1 |
647,262 | Cc1ccc(-c2cnc(NC(=O)CCC(=O)N3CCCCC3)n2C)cc1 | 0 |
647,430 | Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)n1 | 0 |
647,498 | CC1(CCC#N)N=C(SCCC#N)N(c2ccccc2)C1=O | 0 |
647,748 | Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 | 1 |
6,602,522 | Cl.O=C(CN1CCN(c2ncccn2)CC1)NCCC1=CCCCC1 | 1 |
647,933 | O=C(Nc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1 | 1 |
647,937 | CC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC2CCCCC2)CC1 | 0 |
647,987 | Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 1 |
648,068 | CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1 | 1 |
648,282 | COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC | 1 |
648,428 | CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCOCC1 | 1 |
648,537 | CCc1cc2c(NCCO)ncnc2s1 | 1 |
648,642 | Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)n1 | 0 |
648,878 | CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 | 1 |
649,015 | O=C1CC(c2cccs2)c2cc3c(cc2N1)OCO3 | 1 |
649,153 | COCCNC(=O)C(c1ccc(C)o1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21 | 0 |
649,878 | O=C(O)CCn1nnc(-c2cccs2)n1 | 0 |
649,949 | O=C(CSc1nc2ccccc2o1)Nc1ccccc1N1CCCCCC1 | 1 |
135,439,099 | O=C(Cc1cccs1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)CC1 | 1 |
650,100 | COc1ccccc1OCCn1cc(C(=O)c2ccco2)c2ccccc21 | 1 |
6,602,529 | COc1cccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2)c1.Cl | 1 |
650,250 | Cc1ccc(-c2csc(N3CCC(NS(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1 | 1 |
650,341 | COc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1 | 0 |
650,691 | CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OC(C)C)o1 | 1 |
2,740,817 | Cc1ccc(C(=O)C2CCNCC2)cc1.Cl | 0 |
590,998 | CCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1 | 0 |
650,985 | COc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1 | 1 |
651,086 | COc1ccc(-c2cc(C(F)F)nc(-n3nc(C)cc3C)n2)cc1 | 1 |
651,207 | CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 | 0 |
135,450,659 | Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)Cc5cccs5)CC4)nc32)cc1 | 1 |
651,338 | CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 | 1 |
651,589 | Cc1cc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)no1 | 0 |
651,603 | O=C(Nc1cnc2ccccc2c1)c1cccc(-n2cnnn2)c1 | 0 |
651,769 | O=C(CNC(=O)c1ccco1)OCc1c(F)cccc1Cl | 0 |
652,002 | O=C(CSc1nnc(-c2cccnc2)o1)Oc1ccccc1 | 0 |
652,325 | CCOC(=O)CSc1n[nH]c(-c2cccnc2)n1 | 0 |
26,880 | CC(=O)Nc1ccc(-c2ccccc2)s1 | 0 |
652,700 | COCCNC(=O)COC(=O)c1nsc(Cl)c1Cl | 0 |
652,799 | CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC | 0 |
652,954 | N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCC1(CC2)OCCO1 | 0 |
6,603,138 | Cl.O=C(CN1CCN(C2CCCCC2)CC1)NCCC1=CCCCC1 | 0 |
653,279 | O=C(O)C1C2C=CC3(CN(Cc4ccccn4)C(=O)C13)O2 | 0 |
653,412 | Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cc2ccccc2cc1O | 1 |
135,417,689 | Cc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1 | 1 |
6,603,457 | CCC(c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1.Cl | 0 |
653,646 | O=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 | 1 |
653,695 | O=C(CSc1n[nH]c(-c2ccccc2O)n1)N1CCCc2ccccc21 | 1 |
627,902 | CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2O)cc1 | 1 |
654,046 | COc1ccc(N2CC(C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1 | 1 |
654,078 | CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 | 1 |
654,244 | CC1CCN(C(=O)CSc2nc3cccnc3n2C)CC1 | 0 |
654,435 | O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1 | 1 |
5,373,216 | COc1n[nH]c2nncnc12 | 0 |
654,635 | COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O | 1 |
655,127 | Cc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)C)n2)n1 | 0 |
655,401 | CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 | 1 |
655,439 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 1 |
655,785 | CC(NC(=O)OCc1ccccc1)C(=O)NCC1CCCO1 | 0 |
655,857 | c1ccc(Cn2nnc3c(N4CCc5ccccc5C4)ncnc32)cc1 | 1 |
655,948 | Cc1cc(N2CCN(c3nc4ccccc4s3)CC2)n2ncnc2n1 | 0 |
656,017 | CC(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 | 1 |
656,027 | COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccs2)cc1OC | 1 |
656,157 | O=c1oc(-c2ccco2)nc2c1cnn2-c1ccccc1 | 1 |
656,183 | CC(C)OC(=O)NCCOC(=O)Nc1cccc(Cl)c1 | 1 |
656,216 | Oc1ccccc1C1Nc2cccc3cccc(c23)N1 | 1 |
656,290 | Cc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1 | 0 |
657,423 | CN1CCC2(CC1)C1CN(C)CC=C1C(C#N)=C(N)C2(C#N)C#N.O.[OH-] | 0 |
657,488 | Cc1ccc(C(=O)CNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)cc1 | 1 |
5,940,036 | CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)OCC)C1c1ccco1 | 1 |
658,313 | Cc1cc(C)n(S(=O)(=O)Cc2ccccc2)n1 | 0 |
658,411 | COC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 | 1 |
6,602,578 | CCOCCN1CCC(OC(C)=O)C(C)C1.Cl | 0 |
658,614 | CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccnc1 | 1 |
658,879 | CCC(NC(=O)Nc1cc(OC)c(OC)c(OC)c1)(C(F)(F)F)C(F)(F)F | 1 |
135,435,901 | COc1ccc(C2CC(=O)C(C=NCCN3CCOCC3)=C(O)C2)cc1 | 0 |
4,323,243 | C=CCn1c(O)c(C=NCCN(C)C)c(=O)[nH]c1=O | 0 |
1,922,089 | Cc1cc(C)c(-n2c(O)c(C=NCCN3CCOCC3)c(=O)[nH]c2=O)c(C)c1 | 0 |
1,609,548 | CCCCn1c(O)c(C=NCCN2CCCCC2)c(=O)[nH]c1=O | 0 |
659,795 | Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(N2CCOCC2)n1 | 1 |
659,900 | COc1ccc(CC(=O)NCc2ccccn2)cc1OC | 0 |
659,902 | CC1CCCCN1c1nc(-c2ccncc2)nc2ccccc12 | 1 |
659,936 | Cc1ccc(C(=O)c2cn[nH]c2-c2cc(Cl)ccc2O)cc1 | 1 |
660,061 | COc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1 | 0 |
660,120 | Cc1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)co1 | 1 |
660,522 | CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 | 1 |
660,546 | Cc1cccc(OCC(=O)N2CCC(N3CCCCCC3)CC2)c1 | 0 |
660,660 | CC1(C)CC(=O)C2=C(C1)Oc1nc3ccccc3cc1C2C(C#N)C#N | 1 |
End of preview. Expand in Data Studio
README.md exists but content is empty.
- Downloads last month
- 8