SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
COc1cc([N+](=O)[O-])c(OC)c2c(=O)[nH]c(=O)[nH]c12 | tartarus_docking_1syh |
CC1Cc2c(N)nc(N)nc2NC1=O | tartarus_docking_1syh |
O=C(NO)c1ccc(C(=O)NO)nc1 | tartarus_docking_1syh |
CCc1cccc2[nH]c3cc([N+](=O)[O-])ccc3c12 | tartarus_docking_1syh |
Nc1cc([As](=O)(O)O)ccc1C(=O)O | tartarus_docking_1syh |
O=C(O)C1CCC=CC1c1ccccc1 | tartarus_docking_1syh |
NC(=O)c1cc(C(=O)O)ccc1N(N)O | tartarus_docking_1syh |
O=c1cc(NCc2ccccc2[N+](=O)[O-])[nH]c(=O)[nH]1 | tartarus_docking_1syh |
O=C1CCc2cccc3cccc(c23)N1 | tartarus_docking_1syh |
O=c1[nH]c(O)c(/C=C2/C=Nc3ccccc32)[nH]1 | tartarus_docking_1syh |
Cc1nc(N)[nH]c(=O)c1CCC(=O)O | tartarus_docking_1syh |
O=C(O)Cn1nnc2c(=O)[nH][nH]c(=O)c21 | tartarus_docking_1syh |
Cc1nc2nc(N)[nH]c(=O)c2nc1N | tartarus_docking_1syh |
O=C(O)c1ncc2ncccc2c1O | tartarus_docking_1syh |
Cc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-] | tartarus_docking_1syh |
O=Nc1c(-c2ccccc2)[nH]oc1=O | tartarus_docking_1syh |
NC(Cc1cnc2ccccc2c1)C(=O)O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])o2)o1 | tartarus_docking_1syh |
O=C1C=Cc2cccc3ccc(O)c1c23 | tartarus_docking_1syh |
O=C(O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21 | tartarus_docking_1syh |
NC(=O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21 | tartarus_docking_1syh |
O=C(O)c1cc2sccc2c(=O)[nH]1 | tartarus_docking_1syh |
N#Cc1cnn(-c2cc(Cl)ccc2Cl)c1N | tartarus_docking_1syh |
O=Nc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)o1 | tartarus_docking_1syh |
O=C1C=CC(n2cc(F)c(=O)[nH]c2=O)O1 | tartarus_docking_1syh |
Cc1cc(C(C)CC(=O)O)c(C)c(C)c1C | tartarus_docking_1syh |
O=C1Nc2ccc(Cl)cc2C(O)(C(=O)O)N1 | tartarus_docking_1syh |
Nc1nn2nnnc2c2ccccc12 | tartarus_docking_1syh |
NNc1nn2cnnc2c2ccccc12 | tartarus_docking_1syh |
Cc1cc2nnnn2c2ccccc12 | tartarus_docking_1syh |
NC(Cc1ccc2ccccc2c1Cl)C(=O)O | tartarus_docking_1syh |
COc1ccc2[nH]cc(C(=O)O)c(=O)c2c1 | tartarus_docking_1syh |
O=C1c2ccccc2-c2c(Cl)cc([N+](=O)[O-])cc21 | tartarus_docking_1syh |
O=C(O)c1ccccc1-c1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
Cc1[nH]nc2oc(=O)c3ccccc3c12 | tartarus_docking_1syh |
CC1(C)C(=O)NC(=O)c2ccccc21 | tartarus_docking_1syh |
COc1cc(C)c2c(OC)c(C)c(=O)oc2c1OC | tartarus_docking_1syh |
Cc1nnc2c3nccnc3c(N)nn12 | tartarus_docking_1syh |
CC(C)CC(NC(CCC(=O)O)C(=O)O)C(=O)O | tartarus_docking_1syh |
CC(=O)c1ccc2c(ccc3ccccc32)c1 | tartarus_docking_1syh |
O=C(NO)c1ccc(C(=O)NO)cc1 | tartarus_docking_1syh |
NC(=O)NOCc1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
CC(C)(O)c1cccc2ccccc12 | tartarus_docking_1syh |
Cc1nc2c(=O)[nH]c(=O)[nH]c2[nH]c1=O | tartarus_docking_1syh |
CC1(c2cccc3ccccc23)NC(=O)NC1=O | tartarus_docking_1syh |
O=c1[nH]c(=O)c2cc([N+](=O)[O-])ccc2o1 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)[nH]c1ccccc12 | tartarus_docking_1syh |
NC1CNC(C(=O)O)=C(CC(=O)O)C1=O | tartarus_docking_1syh |
O=C(O)CCC(=O)c1ccc(F)cc1 | tartarus_docking_1syh |
O=C1C=C(O)c2cccc3cccc1c23 | tartarus_docking_1syh |
O=c1[nH]c2cc([N+](=O)[O-])ccc2c(=O)o1 | tartarus_docking_1syh |
Cc1cc2c(cc1C)-c1c(N)nc(N)nc1CC2 | tartarus_docking_1syh |
O=C(O)c1ccc2c(Cl)ccc3c2c1CC3 | tartarus_docking_1syh |
CC(=O)CC(=O)c1cc(C(C)=O)c(O)c(C(C)=O)c1 | tartarus_docking_1syh |
NC(=O)C(C(N)=O)c1ccnc2ccccc12 | tartarus_docking_1syh |
O=c1[nH]cc(-c2ccccc2)c(=O)[nH]1 | tartarus_docking_1syh |
NC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=C(O)C(c1ccccc1)c1ccc(O)cc1 | tartarus_docking_1syh |
Nc1nc(C(=O)O)cc(C(=O)O)n1 | tartarus_docking_1syh |
Nc1nc(N)c2cc([N+](=O)[O-])ccc2n1 | tartarus_docking_1syh |
O=C(O)c1c[nH]c2ccc(Cl)cc2c1=O | tartarus_docking_1syh |
Cc1nc(N=C(N)N)nc2ccccc12 | tartarus_docking_1syh |
O=C(O)c1ccccc1CC(C(=O)O)C(=O)O | tartarus_docking_1syh |
O=C(O)c1cc([N+](=O)[O-])c2nnnn2c1 | tartarus_docking_1syh |
COc1ccc2c(c1)C1=C(CC2)C(=O)OC1=O | tartarus_docking_1syh |
N#CC(Cc1cccc2ccccc12)C(=O)NN | tartarus_docking_1syh |
Cc1cc(P(=O)(O)O)nc2ccccc12 | tartarus_docking_1syh |
CC(=O)CC(=O)c1cc2c(=O)oc(C)cc2oc1=O | tartarus_docking_1syh |
CC1C(=O)c2c(O)cc(O)cc2O[C@@H]1C | tartarus_docking_1syh |
n1[nH]nc2c1c1n[nH]nc1c1n[nH]nc21 | tartarus_docking_1syh |
Cc1ccc(C=C(C(=O)O)C(=O)O)o1 | tartarus_docking_1syh |
Nc1onc2c1Cc1c(noc1N)-c1ccccc1-2 | tartarus_docking_1syh |
O=C1CC(CC(O)C(O)C(O)CO)CC(=O)N1 | tartarus_docking_1syh |
O=C1CC(CC(O)C(O)CO)CC(=O)N1 | tartarus_docking_1syh |
O=C1CCCOc2ccc([N+](=O)[O-])cc21 | tartarus_docking_1syh |
O=[n+]1cccc2c3non([O-])c3ccc21 | tartarus_docking_1syh |
O=c1cc[nH]c2c([N+](=O)[O-])cccc12 | tartarus_docking_1syh |
Cc1cn(CCC(N)C(=O)O)c(=O)[nH]c1=O | tartarus_docking_1syh |
CC(C)Cc1c(N)nc(=O)[nH]c1C(=O)O | tartarus_docking_1syh |
O=C(O)CC(=O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
COc1ccc2[nH]c(=O)oc(=O)c2c1 | tartarus_docking_1syh |
CC1CCC2CC(=O)NC(=O)CC12 | tartarus_docking_1syh |
O=C(O)C(=O)Nc1ncccc1C(=O)O | tartarus_docking_1syh |
O=c1c2ccccc2nc2[nH]ncn12 | tartarus_docking_1syh |
Cc1cc(=O)[nH]c2nc3ccccc3n12 | tartarus_docking_1syh |
Nc1nc2ncc([N+](=O)[O-])cc2c(=O)[nH]1 | tartarus_docking_1syh |
Cc1cccc2[nH]c3c(c12)N=c1ccccc1=NO3 | tartarus_docking_1syh |
CC(=O)Nc1ccc(C(=O)O)c(O)c1 | tartarus_docking_1syh |
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2)c1 | tartarus_docking_1syh |
O=C(O)c1ccc(F)c2ccccc12 | tartarus_docking_1syh |
O=C(O)c1nc2ccccc2[nH]c1=O | tartarus_docking_1syh |
O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12 | tartarus_docking_1syh |
O=Nc1cc(S(=O)(=O)O)c2ccccc2c1O | tartarus_docking_1syh |
S=c1nn[nH]n1-c1cccc2ccccc12 | tartarus_docking_1syh |
O=c1[nH][nH]c(=O)c2cc([N+](=O)[O-])ccc12 | tartarus_docking_1syh |
NNC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] | tartarus_docking_1syh |
O=C1NC(=O)C(=C2CCCCC2)N1 | tartarus_docking_1syh |
O=C1NC(=O)C(Cc2ccccc2Cl)N1 | tartarus_docking_1syh |
Cc1ccc(/N=C(\N)N=C(N)N)cc1C | tartarus_docking_1syh |
O=C(O)CC(Cc1ccc(Cl)cc1)C(=O)O | tartarus_docking_1syh |
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