SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
O=c1[nH]c2ccc([N+](=O)[O-])cc2c(=O)o1 | tartarus_docking_1syh |
C=C(C)CC(C)(O)c1cccc2ccccc12 | tartarus_docking_1syh |
Cc1cccc2c(CC(N)C(=O)O)c[nH]c12 | tartarus_docking_1syh |
NC(N)=N/C(N)=N/c1cc(Cl)c(Cl)cc1Cl | tartarus_docking_1syh |
O=C(O)/C=C/c1nc2ccccc2c(=O)[nH]1 | tartarus_docking_1syh |
O=C1NC2(O)C(=O)c3ccccc3C2(O)N1 | tartarus_docking_1syh |
COc1cc(CC(=O)C(=O)O)c([N+](=O)[O-])cc1C | tartarus_docking_1syh |
NC(Cc1cccc(F)c1)c1nn[nH]n1 | tartarus_docking_1syh |
O=C(O)c1c[nH]c2cc(F)ccc2c1=O | tartarus_docking_1syh |
CC(=O)n1cc(CCC(=O)O)c2ccccc21 | tartarus_docking_1syh |
COc1cc2c(cc1O)C(O)CCCC2 | tartarus_docking_1syh |
O=C1OC(c2ccc(O)cc2)c2ccccc21 | tartarus_docking_1syh |
O=C(O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 | tartarus_docking_1syh |
Cc1cc(CO)c(O)c2ncccc12 | tartarus_docking_1syh |
O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O | tartarus_docking_1syh |
NC(CC(=O)O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
Cc1cc(C)c(O)c(C(=O)CCC(=O)O)c1 | tartarus_docking_1syh |
O=c1cc2c(n[nH]1)-c1ccccc1C2 | tartarus_docking_1syh |
NC(Cc1c[nH]c2cccc(F)c12)C(=O)O | tartarus_docking_1syh |
Nc1c([N+](=O)[O-])ccc2ccccc12 | tartarus_docking_1syh |
O=c1c(O)cc2cccc3c2n1CC3 | tartarus_docking_1syh |
O=C(O)CC1CCC2CC(O)c3cccc1c32 | tartarus_docking_1syh |
NC(Cc1ccc2ccccc2c1)C(=O)O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)Cc1c(F)cccc1-2 | tartarus_docking_1syh |
O=C(O)C(=O)C1CCc2ccccc2C1=O | tartarus_docking_1syh |
O=C1c2cc([N+](=O)[O-])ccc2-c2cccc(F)c21 | tartarus_docking_1syh |
O=C(O)c1ccc2c(c1)Cc1ccccc1-2 | tartarus_docking_1syh |
Nc1nc(N)c(-c2ccccc2)c(C(=O)O)n1 | tartarus_docking_1syh |
O=C1Nc2nc(=O)nc3[nH]c(=O)nc(n23)N1 | tartarus_docking_1syh |
Cc1ccc(C(=O)CCC(=O)O)c(C)c1 | tartarus_docking_1syh |
O=C(O)COc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
NNC(=O)Cc1cccc2ccc(Cl)cc12 | tartarus_docking_1syh |
Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] | tartarus_docking_1syh |
O/N=C/C(=N/c1cccc2ccccc12)NO | tartarus_docking_1syh |
O=S(=O)(O)c1cccc2cccc(O)c12 | tartarus_docking_1syh |
O=C1CC(N2C(=O)c3ccccc3C2=O)C(=O)N1 | tartarus_docking_1syh |
CC(=O)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)CCN1C(=O)c2ccccc2C1=O | tartarus_docking_1syh |
O=c1[nH]c2cc([N+](=O)[O-])ccc2c2c(Cl)cccc12 | tartarus_docking_1syh |
NC(N)=N/C(N)=N/c1ccc(O)cc1 | tartarus_docking_1syh |
O=C(O)CC(Cc1cccc(Cl)c1)C(=O)O | tartarus_docking_1syh |
Nc1c(C(=O)O)ccc(C(=O)O)c1C(=O)O | tartarus_docking_1syh |
O=C(O)c1cc2ccc3ccccc3c2s1 | tartarus_docking_1syh |
Nc1cccc2c1-c1ccc([N+](=O)[O-])cc1C2 | tartarus_docking_1syh |
O=S(=O)(O)c1ccc(O)c2ccccc12 | tartarus_docking_1syh |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | tartarus_docking_1syh |
O=C1C=Cc2cccc3cccc1c23 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2cn([N+](=O)[O-])nc2c1 | tartarus_docking_1syh |
Nc1ccccc1C(=O)Nc1ncn[nH]1 | tartarus_docking_1syh |
CC(=O)OCc1ccc2c(c1)C(O)NC(=O)O2 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)Cc1c(Cl)cccc1-2 | tartarus_docking_1syh |
O=C(O)C1CCc2[nH]c(=O)[nH]c(=O)c2C1 | tartarus_docking_1syh |
NC(=O)Cc1ccc2c3c(cccc13)CC2 | tartarus_docking_1syh |
NNC(=O)c1c[nH]c2ccccc2c1=O | tartarus_docking_1syh |
NC(Cc1cccc([N+](=O)[O-])c1)C(=O)O | tartarus_docking_1syh |
Cc1cc(C)c(CC(N)C(=O)O)c(C)c1 | tartarus_docking_1syh |
NC(Cc1c(F)c(F)c(O)c(F)c1F)C(=O)O | tartarus_docking_1syh |
O=C1NC(=O)C(Cc2c[nH]c3ccccc23)N1 | tartarus_docking_1syh |
NNC(=O)Cc1n[nH]c(=O)c2ccccc12 | tartarus_docking_1syh |
O=C(O)C(Cc1c[nH]c2ccccc12)C(=O)O | tartarus_docking_1syh |
Nc1cc(C(=O)O)cc2ccccc12 | tartarus_docking_1syh |
NNC(=O)c1c(O)ccc2ccccc12 | tartarus_docking_1syh |
Nc1ccc2c(c1)/C(=N/O)c1cc([N+](=O)[O-])ccc1-2 | tartarus_docking_1syh |
CC(=O)c1c(C(=O)O)c(=O)oc2cc(O)ccc12 | tartarus_docking_1syh |
O=C(O)/C=C/c1nc2ccccc2c(=O)o1 | tartarus_docking_1syh |
O=C(O)CN1C(=O)c2ccccc2C1=O | tartarus_docking_1syh |
Cc1cc(C)c2[nH]cc(CC(=O)O)c2c1 | tartarus_docking_1syh |
O=[N+]([O-])c1oc2ccc3ccccc3c2c1CCO | tartarus_docking_1syh |
O=c1[nH]c(=O)c2cc([N+](=O)[O-])c(Cl)cc2[nH]1 | tartarus_docking_1syh |
COc1nc(NC2OCC(O)C(O)C2O)c(Br)c(=O)n1C | tartarus_docking_1syh |
NC(=O)c1cccc(OCc2nn[nH]n2)c1 | tartarus_docking_1syh |
NS(=O)(=O)c1ccc(Cl)c2ccccc12 | tartarus_docking_1syh |
COc1ccccc1CC(CC(=O)O)C(=O)O | tartarus_docking_1syh |
NC(CCc1cc(O)ccc1O)C(=O)O | tartarus_docking_1syh |
Cc1ccc2cccc(CC(=O)O)c2c1 | tartarus_docking_1syh |
O=C1CN(c2ccc3ccccc3c2)NO1 | tartarus_docking_1syh |
O=C(O)CCCn1c(=O)cc(O)c2ccccc21 | tartarus_docking_1syh |
O=C1CC2=C(CC(O)=CC=C2)C(=O)O1 | tartarus_docking_1syh |
NC(=O)/N=C/c1c(O)c2ccccc2oc1=O | tartarus_docking_1syh |
COc1cc(/C=N\O)cc(/C=N/O)c1O | tartarus_docking_1syh |
CCOc1cc(/C=N\O)cc(/C=N/O)c1O | tartarus_docking_1syh |
O=C(O)c1cc([N+](=O)[O-])cc2ccccc12 | tartarus_docking_1syh |
Cc1cc([N+](=O)[O-])c2ccccc2c1N | tartarus_docking_1syh |
O=Nc1c(O)[nH]c2ccc(Cl)c(Cl)c12 | tartarus_docking_1syh |
O=C(O)Nc1cc2ccccc2cc1O | tartarus_docking_1syh |
O=C(O)CC(C(=O)O)c1ccccc1Cl | tartarus_docking_1syh |
O=C(O)CC(C(=O)O)c1ccccc1O | tartarus_docking_1syh |
O=C(O)CCc1ccc2c3c(cccc13)CCC2O | tartarus_docking_1syh |
NC(Cc1ccccc1F)c1nn[nH]n1 | tartarus_docking_1syh |
NC(Cc1ccccc1Br)c1nn[nH]n1 | tartarus_docking_1syh |
NC(Cc1ccccc1Cl)c1nn[nH]n1 | tartarus_docking_1syh |
CC(C(N)C(=O)O)C(O)c1ccc(O)cn1 | tartarus_docking_1syh |
COc1cc2c(cc1O)CCCC=C2 | tartarus_docking_1syh |
c1ccc2c(-c3nn[nH]n3)nccc2c1 | tartarus_docking_1syh |
O=c1[nH]c2cc3ccccc3cc2o1 | tartarus_docking_1syh |
Cc1cc(=O)c2c(ccc3c(=O)cc(C)[nH]c32)[nH]1 | tartarus_docking_1syh |
O=C(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(Nc1ncn[nH]1)c1ccccc1O | tartarus_docking_1syh |
NC(Cc1[nH]nc2ccccc12)C(=O)O | tartarus_docking_1syh |
NS(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12 | tartarus_docking_1syh |
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