SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
O=C(O)c1cc(=O)c2ccc(Cl)cc2[nH]1 | tartarus_docking_1syh |
NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O | tartarus_docking_1syh |
Oc1c(Cl)cc(Cl)c2cccnc12 | tartarus_docking_1syh |
CC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
O=C(O)c1cc(=O)c2cccc(O)c2[nH]1 | tartarus_docking_1syh |
Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 | tartarus_docking_1syh |
Nc1cccc2cccc(S(=O)(=O)O)c12 | tartarus_docking_1syh |
O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=Nc1ccc2ccccc2c1O | tartarus_docking_1syh |
O=C(O)c1cc2ccccc2oc1=O | tartarus_docking_1syh |
O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 | tartarus_docking_1syh |
Cc1c(C)c2ccc(O)cc2[nH]c1=O | tartarus_docking_1syh |
COC(=O)/C=C1\Sc2ccc(Cl)cc2NC1=O | tartarus_docking_1syh |
COc1cc(/C=C/[N+](=O)[O-])c([N+](=O)[O-])cc1OC | tartarus_docking_1syh |
COc1cc([N+](=O)[O-])cc2cc(C)c(=O)oc12 | tartarus_docking_1syh |
O=[N+]([O-])c1cc2c([N+](=O)[O-])cccc2o1 | tartarus_docking_1syh |
O=C1[C@@H]2CCC[C@@H]2[C@H]2CCC[C@@H]12 | tartarus_docking_1syh |
Fc1cccc(-c2nn[nH]n2)c1 | tartarus_docking_1syh |
O=C1CCc2cc([N+](=O)[O-])cc3c2N1CCC3 | tartarus_docking_1syh |
Cc1cc(NN)nc2n[nH]c(N)c12 | tartarus_docking_1syh |
COC(=O)c1ccc2c(c1)C(O)NC(=O)O2 | tartarus_docking_1syh |
O=C1Cn2c(cc(=O)c3ccccc32)O1 | tartarus_docking_1syh |
CC1(C2=CCCCC2)C(=O)NC(=S)NC1=O | tartarus_docking_1syh |
Nc1nc(=O)c2ccccc2n1O | tartarus_docking_1syh |
CC(Cc1ccccc1)NC(=O)CCC(N)C(=O)O | tartarus_docking_1syh |
CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O | tartarus_docking_1syh |
O=Nc1c(NO)c2ccccc2c2ccc([N+](=O)[O-])cc12 | tartarus_docking_1syh |
CCc1nc(N)ncc1-c1ccc([N+](=O)[O-])cc1O | tartarus_docking_1syh |
O=C1Nc2ccc([N+](=O)[O-])cc2C1=O | tartarus_docking_1syh |
O=C(NO)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] | tartarus_docking_1syh |
Cc1ccc(C)c(C(=O)/C=C/C(=O)O)c1 | tartarus_docking_1syh |
NC(Cc1c[nH]c2ncccc12)C(=O)O | tartarus_docking_1syh |
O=c1[nH]cnc(O)c1C1C=CC=CC=C1 | tartarus_docking_1syh |
Cc1cc(Br)c2ccccc2c1N | tartarus_docking_1syh |
O=C(O)c1ccc2c(c1)CN(Cc1ccccc1)CO2 | tartarus_docking_1syh |
Cc1cc(=O)c2c(ccc3ccccc32)[nH]1 | tartarus_docking_1syh |
CCOC(=O)c1c(O)c(C(=O)O)cc2ccccc12 | tartarus_docking_1syh |
NNc1ccc2cccc(O)c2n1 | tartarus_docking_1syh |
O=C(O)C(=O)Cc1c(Cl)cccc1[N+](=O)[O-] | tartarus_docking_1syh |
Cn1c(=O)c2[nH]c([N+](=O)[O-])nc2n(C)c1=O | tartarus_docking_1syh |
Cn1c(=O)c2[nH]c(C(=O)O)nc2n(C)c1=O | tartarus_docking_1syh |
O=C(O)c1ccc(C2CCCCC2O)cc1 | tartarus_docking_1syh |
COc1cccc2cc(C(C)=O)c(=O)oc12 | tartarus_docking_1syh |
Cc1ccc(CC(N)C(=O)O)c(C)c1 | tartarus_docking_1syh |
Cc1cccc(C)c1CC(N)C(=O)O | tartarus_docking_1syh |
Cn1c(=O)c2n[nH]c(=O)nc2n(C)c1=O | tartarus_docking_1syh |
Cn1c(=O)c2nnc(N)nc2n(C)c1=O | tartarus_docking_1syh |
Nc1nnnn1-c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=c1[nH]n2cnnc2c2ccccc12 | tartarus_docking_1syh |
NNC(=O)COc1n[nH]c(=O)c2ccccc12 | tartarus_docking_1syh |
O=C(O)c1cc2c([nH]1)=C(O)NN(O)C=2 | tartarus_docking_1syh |
Nc1c(C(=O)O)nnc2cc(Cl)c(Cl)cc12 | tartarus_docking_1syh |
Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)O | tartarus_docking_1syh |
O=NN(CC(=O)O)Cc1ccc(Cl)cc1 | tartarus_docking_1syh |
NNC(=O)c1ccc2ccccc2n1 | tartarus_docking_1syh |
CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
CC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O | tartarus_docking_1syh |
O=c1nc2[nH]nc(-c3ccccc3)c2n[nH]1 | tartarus_docking_1syh |
O=C(O)/C(Cc1cnc2ccccc2n1)=N\O | tartarus_docking_1syh |
Cc1cc2cc(O)cc(O)c2c(=O)[nH]1 | tartarus_docking_1syh |
CC(=O)Oc1cccc(/C=C/C(=O)O)c1 | tartarus_docking_1syh |
Nc1cccc2c1-c1ccccc1/C2=N\O | tartarus_docking_1syh |
N/N=C1/c2cc(N)ccc2-c2c(N)cccc21 | tartarus_docking_1syh |
O=C(O)/C=C/c1ccc([N+](=O)[O-])cc1Cl | tartarus_docking_1syh |
C/C(=N/O)c1ccc2c(Cl)ccc3c2c1CC3 | tartarus_docking_1syh |
CC(=C\C(=O)O)/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O | tartarus_docking_1syh |
COc1ccc(OCC(=O)O)c(C(=O)CCC(=O)O)c1 | tartarus_docking_1syh |
Oc1c(Cl)cc(Cl)c2ccccc12 | tartarus_docking_1syh |
NC(N)=N/C(N)=N/c1ccc(Cl)cc1 | tartarus_docking_1syh |
CC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 | tartarus_docking_1syh |
Cc1cc2c(cc1C)C(=O)C(=O)N2 | tartarus_docking_1syh |
Nc1nc2c(ccc3ccccc32)[nH]1 | tartarus_docking_1syh |
O=NN(CCC(=O)O)c1ccccc1 | tartarus_docking_1syh |
NC(CN1CCC(=O)NC1=O)C(=O)O | tartarus_docking_1syh |
O=c1[nH]cc(Cc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1 | tartarus_docking_1syh |
O=C(O)c1cccc2cc[nH]c(=O)c12 | tartarus_docking_1syh |
CSc1nc(NC2OCC(O)C(O)C2O)c(Br)c(=O)n1C | tartarus_docking_1syh |
Nc1ccn(C2CC(F)C(CO)O2)c(=O)n1 | tartarus_docking_1syh |
COc1nn([O-])c2ccccc2[n+]1=O | tartarus_docking_1syh |
CC(O)(CC(=O)O)c1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
CC(=O)c1ccc2c(c1)CCc1ccccc1-2 | tartarus_docking_1syh |
O=c1[nH]nc(-c2ccccc2)c(=O)o1 | tartarus_docking_1syh |
O=C(O)CNS(=O)(=O)c1ccccc1 | tartarus_docking_1syh |
O=C(O)CC(CCCc1ccccc1)C(=O)O | tartarus_docking_1syh |
O=C(O)c1cc2c(c(C(=O)O)c1O)CCCC2 | tartarus_docking_1syh |
Cc1ccc([As](=O)(O)O)c2cccnc12 | tartarus_docking_1syh |
O=C(O)C(O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=C(O)CC(Br)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=c1[nH]c2ccc([As](O)O)cc2[nH]1 | tartarus_docking_1syh |
Cn1nc(N)c2cc(C#N)c(N)nc21 | tartarus_docking_1syh |
CC(=O)CC(=O)Oc1ccccc1OC(C)=O | tartarus_docking_1syh |
COc1ccc(C)cc1C(C)CCC(=O)O | tartarus_docking_1syh |
O=c1cc(NCc2cc([N+](=O)[O-])ccc2Cl)[nH]c(=O)[nH]1 | tartarus_docking_1syh |
O=[As](O)(O)Cc1ccc(F)cc1 | tartarus_docking_1syh |
C=CC[As](=O)(O)c1ccccc1Cl | tartarus_docking_1syh |
CC(O)C[As](=O)(O)c1ccccc1Cl | tartarus_docking_1syh |
Cn1c(=O)c2ccc(C(=O)O)cc2c(=O)n1C | tartarus_docking_1syh |
Fc1ccc2[nH]c3c(c2c1)CCc1occc1-3 | tartarus_docking_1syh |
COc1ccc2c(O)c(Cl)c(=O)oc2c1 | tartarus_docking_1syh |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.