Drug_ID
float64 | Drug
string | Y
int64 |
|---|---|---|
644,675
|
CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1
| 0
|
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
|
645,448
|
CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)OC)C(=O)C(C)(C)O2
| 0
|
645,569
|
CCc1cc2c(=O)[nH]cnc2s1
| 0
|
645,818
|
COc1cccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c12
| 1
|
645,911
|
CCc1nnc(SCc2ccc(OC(C)C)cc2)n1N
| 0
|
645,965
|
Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2c3ccccc3CC2C)CC1
| 1
|
646,164
|
CCOC(=O)CSC1=C(C#N)C(C)C2=C(CCCC2=O)N1
| 0
|
646,293
|
Cc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1
| 0
|
646,353
|
CCOC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
| 0
|
646,472
|
CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1
| 0
|
646,515
|
CCOC(=O)C(NC(C)=O)C(OC(C)=O)c1cccc(N(CCO)CCO)c1
| 0
|
646,597
|
CCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2
| 0
|
6,602,690
|
CN(C)CCNC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O.Cl
| 0
|
646,768
|
Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)n1
| 0
|
646,780
|
COc1cc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1OC
| 0
|
646,897
|
CN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
| 0
|
646,955
|
COC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1
| 0
|
6,398,903
|
Cc1ccc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccco2)c1
| 0
|
647,114
|
Cn1c(SC2=CS(=O)(=O)c3ccccc32)nc2ccccc21
| 0
|
647,205
|
CC(C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2
| 1
|
647,430
|
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)n1
| 0
|
647,727
|
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCOCC2)cc1
| 1
|
6,602,522
|
Cl.O=C(CN1CCN(c2ncccn2)CC1)NCCC1=CCCCC1
| 1
|
647,937
|
CC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC2CCCCC2)CC1
| 0
|
647,996
|
Cc1cccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(O)CO)c1
| 0
|
648,175
|
CCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)(C)C
| 0
|
648,282
|
COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC
| 0
|
648,407
|
CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccccc2)s1
| 0
|
648,481
|
CSc1nc2nc3c(c(=O)n2[nH]1)CN(Cc1ccccc1)CC3
| 0
|
648,708
|
Cc1nn(C)c(C)c1CNC(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
| 0
|
648,836
|
Cc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1
| 0
|
648,878
|
CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1
| 0
|
648,947
|
COc1ccc(OC)c(NC(=O)C(CC(=O)O)NCc2ccco2)c1
| 0
|
649,015
|
O=C1CC(c2cccs2)c2cc3c(cc2N1)OCO3
| 1
|
649,453
|
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC
| 0
|
649,754
|
Nc1ncc(-c2ccccc2)n1CC1CCCO1
| 1
|
649,786
|
CCCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
| 0
|
649,878
|
O=C(O)CCn1nnc(-c2cccs2)n1
| 0
|
650,002
|
Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2CCCc1ccccc1
| 0
|
650,100
|
COc1ccccc1OCCn1cc(C(=O)c2ccco2)c2ccccc21
| 0
|
650,250
|
Cc1ccc(-c2csc(N3CCC(NS(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1
| 0
|
650,341
|
COc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1
| 0
|
650,486
|
Cn1c(CNC(=O)Nc2ccccc2)nnc1SCc1ccccc1
| 0
|
650,558
|
O=C(CSc1nnc(CNc2ccccc2)o1)N1CCCc2ccccc21
| 0
|
650,691
|
CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OC(C)C)o1
| 0
|
6,602,999
|
CCOC(=O)C1Cc2c([nH]c3ccccc23)CN1.Cl
| 1
|
650,985
|
COc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1
| 1
|
5,768,893
|
COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccco1
| 0
|
651,076
|
CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1
| 0
|
651,205
|
CCc1c(C)nc2c(C#N)c(C)[nH]n2c1=O
| 0
|
651,338
|
CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
| 0
|
651,587
|
O=C(OCCCN1CCCCC1)c1ccc(O)cc1
| 1
|
651,589
|
Cc1cc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)no1
| 0
|
651,769
|
O=C(CNC(=O)c1ccco1)OCc1c(F)cccc1Cl
| 0
|
652,002
|
O=C(CSc1nnc(-c2cccnc2)o1)Oc1ccccc1
| 0
|
652,521
|
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1
| 1
|
652,549
|
CC(C)C(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
| 0
|
652,700
|
COCCNC(=O)COC(=O)c1nsc(Cl)c1Cl
| 0
|
652,799
|
CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC
| 0
|
6,603,138
|
Cl.O=C(CN1CCN(C2CCCCC2)CC1)NCCC1=CCCCC1
| 1
|
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
|
6,603,457
|
CCC(c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1.Cl
| 0
|
653,646
|
O=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1
| 0
|
653,695
|
O=C(CSc1n[nH]c(-c2ccccc2O)n1)N1CCCc2ccccc21
| 1
|
653,778
|
COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2cccnc21
| 0
|
653,799
|
CCc1nnc2sc(-c3ccc(NC(=O)c4ccco4)cc3)nn12
| 0
|
653,914
|
COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3cccs3)n2)cc1OC
| 1
|
654,078
|
CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1
| 0
|
654,182
|
CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
| 0
|
6,398,932
|
CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccncc2)c1
| 0
|
654,363
|
O=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccco1
| 1
|
654,435
|
O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1
| 0
|
5,373,216
|
COc1n[nH]c2nncnc12
| 0
|
654,546
|
CCc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1
| 0
|
654,623
|
COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccccc2)cc1
| 0
|
654,635
|
COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O
| 0
|
654,761
|
Cc1ccc(C)n1C(Cc1ccccc1)C(=O)O
| 0
|
655,183
|
COc1ccccc1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)Cc1nnnn1CC1CCCO1
| 0
|
655,265
|
COc1ccc(OCc2nnc(SCC(=O)O)n2N)cc1
| 0
|
5,768,421
|
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)c(C)c2)C1c1ccncc1
| 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
| 0
|
655,857
|
c1ccc(Cn2nnc3c(N4CCc5ccccc5C4)ncnc32)cc1
| 0
|
655,866
|
COc1ccc(C(=O)NC2CC3CCCC(C2)N3CC(C)C)cc1OC
| 1
|
655,948
|
Cc1cc(N2CCN(c3nc4ccccc4s3)CC2)n2ncnc2n1
| 0
|
656,017
|
CC(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2
| 0
|
656,027
|
COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccs2)cc1OC
| 0
|
656,095
|
COc1ccc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1
| 0
|
656,157
|
O=c1oc(-c2ccco2)nc2c1cnn2-c1ccccc1
| 0
|
656,183
|
CC(C)OC(=O)NCCOC(=O)Nc1cccc(Cl)c1
| 0
|
656,257
|
Cc1ccccc1OCC1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1
| 0
|
656,272
|
Cc1ccc(-c2[nH]n3c(=O)c4c(nc3c2C)CCCC4)cc1
| 1
|
656,290
|
Cc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1
| 1
|
6,603,060
|
I.OCCNC1=NCCN1
| 0
|
6,449,251
|
COc1cc2c(cc1OC)/C(=C/C(=O)N1CCOCC1)NC(C)(C)C2.Cl
| 1
|
135,449,532
|
Cc1cc(=O)[nH]c(-n2nc(C)cc2C)n1
| 0
|
End of preview. Expand
in Data Studio
README.md exists but content is empty.
- Downloads last month
- 17