SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
O=C(O)CC(NO)c1ccccc1 | tartarus_docking_1syh |
O=c1[nH]c(C(F)(F)C(F)(F)F)c(F)c(=O)[nH]1 | tartarus_docking_1syh |
Cc1nc(N)sc1C(=O)Nc1ncn[nH]1 | tartarus_docking_1syh |
O=C1NC(O)c2cc(CO)ccc2O1 | tartarus_docking_1syh |
CC(=O)Oc1ccc2c(c1)C(=O)CCCC2 | tartarus_docking_1syh |
CCOc1nc(N)nc2c1-c1ccccc1CC2 | tartarus_docking_1syh |
N#Cc1[nH]nc2ncnc(NC(=O)C(F)(F)F)c12 | tartarus_docking_1syh |
Cc1cc(C)n(-c2ccc3nnnn3n2)n1 | tartarus_docking_1syh |
CC(=O)c1nc2c(N)nc(N)nc2nc1C | tartarus_docking_1syh |
CC(=O)Nc1c(N)cc2c3c(cccc13)CC2 | tartarus_docking_1syh |
Cc1ccc2[nH]cc(CC(N)=O)c2c1 | tartarus_docking_1syh |
CC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O | tartarus_docking_1syh |
O=C(O)C(=Cc1cccc2ccccc12)C(=O)O | tartarus_docking_1syh |
Cc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)c1ccc(C2CCCCC2)cc1 | tartarus_docking_1syh |
O=C(O)CCC(=O)NCCNC(=O)CCC(=O)O | tartarus_docking_1syh |
O=C(O)c1cc2c(Cl)cccc2[nH]1 | tartarus_docking_1syh |
O=C(O)CNc1ccc(Br)cc1C(=O)O | tartarus_docking_1syh |
O=C(O)CC(C(=O)O)c1ccccc1 | tartarus_docking_1syh |
CCC(C(=O)NC(=O)NO)c1ccccc1 | tartarus_docking_1syh |
O=C(O)c1ccc(NC2(C(=O)O)CCCC2)cc1 | tartarus_docking_1syh |
CC1(c2ccccc2Cl)NC(=O)NC1=O | tartarus_docking_1syh |
O=C1CCc2ccc3ccccc3c21 | tartarus_docking_1syh |
O=NN(CC(=O)O)Cc1ccccc1 | tartarus_docking_1syh |
Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)CCC1CCC(=O)OC1=O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc(Cn2ccnc2[N+](=O)[O-])cc1 | tartarus_docking_1syh |
COc1cc2ccccc2c2cc([N+](=O)[O-])oc12 | tartarus_docking_1syh |
NNc1n[nH]c(=O)c2ccccc12 | tartarus_docking_1syh |
Cc1cc2nc(NN)[nH]c2cc1C | tartarus_docking_1syh |
Cc1nnnn1-c1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
COC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)C(=CCc1cccc2ccccc12)C(=O)O | tartarus_docking_1syh |
CCc1ccc2ccccc2c1[N+](=O)[O-] | tartarus_docking_1syh |
Nc1ccc2c(S(=O)(=O)O)ccc(O)c2c1 | tartarus_docking_1syh |
Nc1ccc2c3c(ccc(N)c13)CC2 | tartarus_docking_1syh |
Nc1cc(Cl)ccc1-c1ccn[nH]1 | tartarus_docking_1syh |
O=C(O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 | tartarus_docking_1syh |
NC(=O)c1nnn(-c2ccccc2)c1N | tartarus_docking_1syh |
NC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O | tartarus_docking_1syh |
O=C(O)c1ccc(O)c2ccccc12 | tartarus_docking_1syh |
OCc1nc2cc3ccccc3cc2[nH]1 | tartarus_docking_1syh |
COc1cc([N+](=O)[O-])c2ncccc2c1[N+](=O)[O-] | tartarus_docking_1syh |
CC1CCC(=O)C=C1CCCC(=O)O | tartarus_docking_1syh |
CC1(C(=O)O)CCC=C1c1ccccc1 | tartarus_docking_1syh |
N#Cc1[nH]c(=O)n(-c2ccccc2)c1N | tartarus_docking_1syh |
Cc1nc2sc3c(c2c(=O)o1)CCCC3 | tartarus_docking_1syh |
Cc1ccc(-c2n[nH]c(=O)n2N)cc1 | tartarus_docking_1syh |
O=C1CC([C@H](NC(=O)OCc2ccccc2)C(=O)O)ON1 | tartarus_docking_1syh |
COc1cccc(/C=C(\NC(C)=O)C(=O)O)c1 | tartarus_docking_1syh |
O=C1C=C/C(=C\c2ccc([N+](=O)[O-])cc2)O1 | tartarus_docking_1syh |
C[N+](C)(Cc1ccccc1)c1nnn[n-]1 | tartarus_docking_1syh |
O=C(O)C(=O)CC(=O)c1ccc(Cl)cc1 | tartarus_docking_1syh |
O=C1OCCC1n1cc(F)c(=O)[nH]c1=O | tartarus_docking_1syh |
Nc1nc2ccccc2c2c1C(=O)NC2=O | tartarus_docking_1syh |
Cc1cccc2c(CCC(=O)O)c[nH]c12 | tartarus_docking_1syh |
O=C(O)c1cnc2ccccn2c1=O | tartarus_docking_1syh |
Nc1cc(C(=O)O)c(O)c(Cl)c1O | tartarus_docking_1syh |
Nc1ccc2nc(N)nc(N)c2c1 | tartarus_docking_1syh |
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)OCOC2 | tartarus_docking_1syh |
COc1ccc2ccccc2c1C(=O)CCC(=O)O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc(C(O)CC(O)(C(F)(F)F)C(F)(F)F)cc1 | tartarus_docking_1syh |
O=C(O)COc1cccc2ccc(Cl)cc12 | tartarus_docking_1syh |
COC(C(=O)O)c1cccc2ccccc12 | tartarus_docking_1syh |
NNC(=O)Cc1ccc(Cl)c2ccccc12 | tartarus_docking_1syh |
Cc1cccc2c(=O)c(C(=O)O)c[nH]c12 | tartarus_docking_1syh |
CCn1cc(C(=O)O)c(=O)c2cccc(Cl)c21 | tartarus_docking_1syh |
O=C1OC(=O)C2CCCC3CCCC1C32 | tartarus_docking_1syh |
COc1ccc(-c2nn[nH]n2)cc1 | tartarus_docking_1syh |
C(CCCCc1nn[nH]n1)CCCc1nn[nH]n1 | tartarus_docking_1syh |
COc1ccc(C(CC(=O)O)CC(=O)O)cc1[N+](=O)[O-] | tartarus_docking_1syh |
c1cc2nnnn2nc1N1CCCC1 | tartarus_docking_1syh |
N/N=C1\c2ccccc2-c2c(O)cccc21 | tartarus_docking_1syh |
O=c1[nH]nc(Cc2ccc([N+](=O)[O-])cc2)[nH]1 | tartarus_docking_1syh |
O=[N+]([O-])C1CC/C(=N/O)c2nonc21 | tartarus_docking_1syh |
O=C1NC(=O)c2cccc3cccc1c23 | tartarus_docking_1syh |
O=S(=O)(O)c1cc2onnc2c2ccccc12 | tartarus_docking_1syh |
O=S(=O)(O)c1cccc2cccnc12 | tartarus_docking_1syh |
CC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
Cc1nc(N)nc(N)c1-c1ccccc1 | tartarus_docking_1syh |
O=c1ccc2cc([N+](=O)[O-])ccc2o1 | tartarus_docking_1syh |
CN(N=O)C(=O)c1ccccc1C(=O)N(C)N=O | tartarus_docking_1syh |
O=C(O)/C=C/c1cnc2ccccc2n1 | tartarus_docking_1syh |
O=C1N/C(=C\[N+](=O)[O-])c2ccccc21 | tartarus_docking_1syh |
NC(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O | tartarus_docking_1syh |
O=c1c2cn[nH]c2nc2n1CCC2 | tartarus_docking_1syh |
NC(N)=N/C(N)=N/c1cnccn1 | tartarus_docking_1syh |
Nc1ccc(S(=O)(=O)O)c2cccnc12 | tartarus_docking_1syh |
O=C(O)c1ccc(P(=O)(O)O)c([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=C(O)c1cc([N+](=O)[O-])ccc1P(=O)(O)O | tartarus_docking_1syh |
CCn1[nH]c(=O)c2cccnc2c1=O | tartarus_docking_1syh |
Nc1c([N+](=O)[O-])cnc2ccccc12 | tartarus_docking_1syh |
C/C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N\O | tartarus_docking_1syh |
N#Cc1cc2ccccc2nc1N | tartarus_docking_1syh |
CC(=O)Nc1ccc2ncccc2c1[N+](=O)[O-] | tartarus_docking_1syh |
O=c1ccn(Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 | tartarus_docking_1syh |
O=C1CNC(c2cccc([N+](=O)[O-])c2)N1O | tartarus_docking_1syh |
O=C(O)CC(Nc1ccccc1)C(=O)O | tartarus_docking_1syh |
Cc1cn(C2CCCC2O)c(=O)[nH]c1=O | tartarus_docking_1syh |
O=C(O)C(=O)Cc1c[nH]c2ccccc12 | tartarus_docking_1syh |
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