smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
O=C(O)c1c(CC(Cc2ccc3c(c2)CCC3)C(=O)O)ccc2c1CCC2 | 0 |
Cc1ccc(CC(Cc2ccccc2C)C(=O)O)c(C(=O)O)c1 | 0 |
Cc1cccc(CC(Cc2ccc(C)cc2C(=O)O)C(=O)O)c1 | 0 |
Cc1cccc(CC(Cc2c(C)cccc2C(=O)O)C(=O)O)c1 | 0 |
COC(=O)c1cc(C)ccc1CC(Cc1ccccc1C)C(=O)OC | 0 |
COC(=O)c1cc(C)ccc1CC(Cc1cccc(C)c1)C(=O)OC | 0 |
COC(=O)c1ccccc1CC(Cc1ccccc1)C(=O)OC | 0 |
O=C(O)c1cc2c(cc1CC(Cc1ccccc1)C(=O)O)CCC2 | 0 |
Cc1ccc(CC(Cc2ccc(C)cc2C(=O)O)C(=O)O)cc1 | 0 |
O=C(O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCC3)C(=O)O)CCC2 | 0 |
O=C(O)c1ccccc1CC(Cc1ccccc1)C(=O)O.[KH] | 0 |
COC(=O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCC3)C(=O)OC)CCC2 | 0 |
O=C(O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCCC3)C(=O)O)CCCC2 | 0 |
COC(=O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCCC3)C(=O)OC)CCCC2 | 0 |
O=C(O)c1c(CC(Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2 | 0 |
COC(=O)c1c(CC(Cc2ccc3c(c2)CCCC3)C(=O)OC)ccc2c1CCCC2 | 0 |
COC(=O)c1c(CC(Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2 | 0 |
COC(=O)C(Cc1ccc2c(c1)CCCC2)Cc1cc2c(cc1C(O)OC)CCC2 | 0 |
COC(=O)c1ccccc1CC1Cc2ccc3c(c2C1)CCC3 | 0 |
CC(=O)c1cccc2c1CC1(C2)Cc2ccc3c(c2C1=O)CCC3 | 0 |
CC(=O)c1c2c(cc3c1CC1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2 | 0 |
O=C1c2ccccc2CC12Cc1ccccc1C2 | 0 |
O=C1c2ccccc2CC12Cc1ccc3c(c1C2)CCC3 | 0 |
OC1c2c(ccc3c2CCC3)CC12Cc1ccccc1C2 | 0 |
CC(=O)c1ccc2c(c1)CC1(C2)Cc2ccccc2C1=O | 0 |
CC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1=O)CCC3 | 0 |
COC(=O)C1Cc2cc3c(cc2C1)CCC3 | 0 |
ON=C1CCc2cc3c(cc21)CCC3 | 0 |
O=C(O)c1c2c(cc3c1CC(Cc1ccccc1)C3=O)CCC2 | 0 |
COC(=O)C1Cc2c(C)cccc2C1=O | 0 |
O=C(CCCC1Cc2ccccc2C1=O)c1ccccc1 | 0 |
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1=O)CCC3 | 0 |
COC(=O)C1(Cc2ccc(C)cc2)Cc2c(C)cccc2C1=O | 0 |
COC(=O)C1(Cc2ccccc2C)Cc2ccc(C)cc2C1=O | 0 |
COC(=O)C1(Cc2cccc(C)c2)Cc2c(C)cccc2C1=O | 0 |
COC(=O)c1ccc(C)cc1C1CN=NC12Cc1cc(C)ccc1C2=O | 0 |
O=C1OC(C2Cc3ccc4c(c3C2=O)CCC4)c2ccccc21 | 0 |
Cc1ccc2c(c1)C(C1Cc3c(C)cccc3C1=O)OC2=O | 0 |
Cc1cccc2c1CC(C1OC(=O)c3ccccc31)C2=O | 0 |
Cc1ccc2c(c1)C(=O)C(C1OC(=O)c3ccccc31)C2 | 0 |
COC(=O)c1ccccc1C1CN=NC12Cc1ccc(C)cc1C2=O | 0 |
COC(=O)c1ccccc1C1CN=NC12Cc1cc(C)ccc1C2=O | 0 |
COC(=O)c1ccccc1C1CN=NC12Cc1c(C)cccc1C2=O | 0 |
COC(=O)c1ccc(C)cc1C1CN=NC12Cc1c(C)cccc1C2=O | 0 |
COC(=O)c1ccccc1C1CN=NC12Cc1cccc(C)c1C2=O | 0 |
Cc1cccc2c1C(=O)C(C1OC(=O)c3ccccc31)C2 | 0 |
Cc1ccc2c(c1)C(C1Cc3cccc(C)c3C1=O)OC2=O | 0 |
COC(=O)c1ccc(C)cc1C1CN=NC12Cc1cccc(C)c1C2=O | 0 |
COC(=O)c1ccccc1C1CN=NC12Cc1c(ccc3c1CCC3)C2=O | 0 |
COC(=O)c1c(C)cccc1C1CN=NC12Cc1c(C)cccc1C2=O | 1 |
Cc1cccc2c1CC(C1OC(=O)c3c(C)cccc31)C2=O | 0 |
COC(=O)c1ccccc1C1CN=NC12Cc1ccccc1C2=O | 0 |
O=C1OC(C2Cc3ccccc3C2=O)c2ccccc21 | 0 |
Cc1ccc(C(=O)O)c(CC2Cc3c(C)cccc3C2=O)c1 | 0 |
Cc1cccc2c1CC(Cc1ccccc1C(=O)O)C2=O | 0 |
Cc1ccc2c(c1)C(=O)C(Cc1ccccc1C(=O)O)C2 | 0 |
COC(=O)c1ccc(C)cc1CC1Cc2ccc(C)cc2C1=O | 0 |
COC(=O)c1ccccc1CC1Cc2cccc(C)c2C1=O | 0 |
COC(=O)c1ccc(C)cc1CC1Cc2cccc(C)c2C1=O | 0 |
O=C(O)c1ccccc1CC1Cc2ccccc2C1=O | 0 |
O=C(O)c1ccccc1CC1Cc2ccccc2C1 | 0 |
COC(=O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCC3 | 0 |
O=C(O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCC3 | 0 |
COC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1O)CCC3 | 0 |
COC(=O)C1(Cc2ccccc2)Cc2ccc3c(c2C1=O)CCC3 | 0 |
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1O)CCC3 | 0 |
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1)CCC3 | 0 |
COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1O | 0 |
OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1O)CCC3 | 0 |
COC(=O)c1ccccc1C=C1Cc2cccc(C)c2C1=O | 0 |
COC(=O)c1c(C)cccc1C=C1Cc2c(C)cccc2C1=O | 0 |
COC(=O)c1ccccc1C=C1Cc2ccccc2C1=O | 0 |
COC(=O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCC3 | 0 |
OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3 | 0 |
OCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 | 0 |
O=C(O)c1c2c(cc3c1CC1(Cc4ccccc4C1)C3)CCC2 | 0 |
COC(=O)c1c2c(cc3c1CC1(Cc4ccccc4C1)C3)CCC2 | 0 |
COC(=O)c1c2c(cc3c1CC1(Cc4ccc(C(C)=O)cc4C1)C3)CCC2 | 0 |
CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(c(C(=O)O)c2C1)CCC3 | 0 |
COC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(c(C(=O)OC)c2C1)CCCC3 | 0 |
COC(=O)c1c2c(cc3c1CC1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2 | 0 |
O=Cc1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCC3 | 0 |
COC(=O)CCc1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCC3 | 0 |
COC(=O)C1(Cc2ccccc2)Cc2c(C)ccc(C)c2C1=O | 0 |
COC(=O)c1cc2c(c3c1CC(Cc1ccccc1)C3=O)CCC2 | 0 |
ClC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCC3 | 0 |
COC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCC3 | 0 |
Cc1ccc2c(c1)C(=O)C1(C2)Cc2c(C)cccc2C1=O | 0 |
Cc1ccc2c(c1)C(=O)C1(C2)Cc2cccc(C)c2C1=O | 0 |
Cc1ccc2c(c1)CC1(Cc3c(C)cccc3C1=O)C2=O | 0 |
Cc1ccc2c(c1)C(=O)C1(Cc3ccccc3C1=O)C2 | 0 |
Cc1cccc2c1CC1(Cc3ccccc3C1=O)C2=O | 0 |
Cc1ccc2c(c1)CC1(Cc3ccccc3C1=O)C2=O | 0 |
Cc1cccc2c1C(=O)C1(Cc3ccccc3C1=O)C2 | 0 |
Cc1ccc2c(c1)CC1(Cc3cccc(C)c3C1=O)C2=O | 0 |
COC(=O)Cc1cccc2c1CCC2=O | 0 |
CCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3=O | 0 |
CCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O | 0 |
NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(Nc4ccc(S(N)(=O)=O)cc4)c3c2)cc1 | 1 |
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c3c2)cc1 | 1 |
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