SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
O=C1NC(=O)C(c2ccc(Br)c3ccccc23)=C1O | tartarus_docking_1syh |
COc1cc([N+](=O)[O-])c2ncccc2c1O | tartarus_docking_1syh |
Cc1cc2c(=O)[nH]c(N)nc2nc1C | tartarus_docking_1syh |
Nc1nc2[nH]c(=O)c(=O)[nH]c2c(=O)[nH]1 | tartarus_docking_1syh |
O/N=C1/C/C(=N\O)c2ccccc21 | tartarus_docking_1syh |
Cc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 | tartarus_docking_1syh |
Cc1nc2c(=O)[nH]c(N)nc2c(=O)[nH]1 | tartarus_docking_1syh |
O=C(O)CCc1nc2ccccc2c(=O)[nH]1 | tartarus_docking_1syh |
Nc1n[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] | tartarus_docking_1syh |
CC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
Nc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-] | tartarus_docking_1syh |
COc1ccc(C(CC(=O)NN)CC(=O)NN)cc1 | tartarus_docking_1syh |
O=C(O)CNC(=O)Cc1cccc2ccccc12 | tartarus_docking_1syh |
Nc1cccc2ccc(OCC(=O)O)cc12 | tartarus_docking_1syh |
O=C(O)CC(C(=O)O)c1ccccc1[N+](=O)[O-] | tartarus_docking_1syh |
CS(=O)(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
c1ccc2c(c1)n1nnnc1c1nnnn21 | tartarus_docking_1syh |
O=C1NC(=O)c2ccc([N+](=O)[O-])c3cccc1c23 | tartarus_docking_1syh |
c1ccc2c(c1)ccc1c2nnc2nnnn21 | tartarus_docking_1syh |
NC(CC(C(=O)O)c1ccccc1)C(=O)O | tartarus_docking_1syh |
Cc1ccc2c(c1)sc1nnc(C)n12 | tartarus_docking_1syh |
COc1cc2oc(=O)cc(C)c2cc1N | tartarus_docking_1syh |
Cc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12 | tartarus_docking_1syh |
O=C(NC(=O)C(F)(F)F)Nc1cc(F)ccc1F | tartarus_docking_1syh |
NC(Cc1ccc(O)cc1)c1nn[nH]n1 | tartarus_docking_1syh |
O=C1CN(Cc2ccc3c(c2)OCO3)NO1 | tartarus_docking_1syh |
COc1nc(=O)n(C2C=CC(=O)O2)cc1F | tartarus_docking_1syh |
CC(Cc1ccccc1)CC(C(=O)O)C(=O)O | tartarus_docking_1syh |
COc1c(OC(C)=O)ccc2c1C=CCCC2=O | tartarus_docking_1syh |
O=c1c([N+](=O)[O-])c[nH]c2ccccc12 | tartarus_docking_1syh |
CC1=C2C(C)CCCC2CCC1=O | tartarus_docking_1syh |
COc1ccc2c(c1)CCC1C(=O)NN=C21 | tartarus_docking_1syh |
NNC(=O)c1ccc(S(N)(=O)=O)cc1 | tartarus_docking_1syh |
C=C(C)c1nc2c(=O)nc(N)nc-2n(O)c1C | tartarus_docking_1syh |
CC1=C(O)NC(CC(=O)C(O)CO)=CN1 | tartarus_docking_1syh |
O=C(O)c1cc(F)cc2c1-c1ccc(F)cc1C2=O | tartarus_docking_1syh |
COc1cccc2c(=O)c(C(=O)O)c[nH]c12 | tartarus_docking_1syh |
O=C(O)C(=Cc1ccc[nH]1)C(=O)O | tartarus_docking_1syh |
CC(O)CNS(=O)(=O)c1cccc(C(=O)O)c1 | tartarus_docking_1syh |
CCNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1 | tartarus_docking_1syh |
O=C(O)C(=O)Cc1ccc2ccccc2n1 | tartarus_docking_1syh |
O=C(O)c1onc2ccccc12 | tartarus_docking_1syh |
NC(=O)Cc1c[nH]c2ccc(O)cc12 | tartarus_docking_1syh |
Cc1ccc2[nH]c(C(=O)O)cc2c1 | tartarus_docking_1syh |
CC(=O)NCC(O)c1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
Nc1cc(F)cc2c1-c1ccc(F)cc1C2 | tartarus_docking_1syh |
NC(Cc1nc(O)cc(=O)[nH]1)C(=O)O | tartarus_docking_1syh |
Nc1ccc2c(c1)C(=O)c1cc(C(=O)O)ccc1-2 | tartarus_docking_1syh |
N[C@H](C(=O)O)[C@@H]1CC(S(=O)(=O)c2ccccc2)=NO1 | tartarus_docking_1syh |
Nc1cc2cc([N+](=O)[O-])ccc2oc1=O | tartarus_docking_1syh |
NC(=O)c1nnn2c1nc(N)c1cc(Cl)ccc12 | tartarus_docking_1syh |
O=c1[nH]c2c(=O)[nH][nH]c(=O)c2[nH]c1=O | tartarus_docking_1syh |
N/C(=N\Cc1ccccc1)N[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)C(=O)Cc1ccccc1[N+](=O)[O-] | tartarus_docking_1syh |
NC(=O)Nc1ccc(C(=O)O)cc1 | tartarus_docking_1syh |
O=C1OC(=O)c2ccc([N+](=O)[O-])c3cccc1c23 | tartarus_docking_1syh |
O=c1[nH]c(=O)c2[nH]c(=O)[nH]c(=O)c2[nH]1 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc([N+](=O)[O-])c2ccccc12 | tartarus_docking_1syh |
NC(Cc1ccc(O)c(F)c1)C(=O)O | tartarus_docking_1syh |
Cc1cc(O)c(C(=O)O)cc1C | tartarus_docking_1syh |
NS(=O)(=O)c1cccc2cccnc12 | tartarus_docking_1syh |
CC(c1ccccc1)c1ccc(O)cc1 | tartarus_docking_1syh |
CC(=O)CC(=O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
Cc1ccc(C(=O)O)c(N)c1O | tartarus_docking_1syh |
Cc1ccc2c(CC(N)C(=O)O)c[nH]c2c1 | tartarus_docking_1syh |
Cc1ccc(CC(CC(=O)O)C(=O)O)cc1 | tartarus_docking_1syh |
O=C(O)CCn1ccc(=O)[nH]c1=O | tartarus_docking_1syh |
NN1C(=O)Cc2ccccc2C1=O | tartarus_docking_1syh |
Cc1nnc2c3ccccc3cnn12 | tartarus_docking_1syh |
NC(=O)C1(Nc2ccc(C(=O)O)cc2)CCCC1 | tartarus_docking_1syh |
COS(=O)(=O)c1ccc(Cl)c2ccccc12 | tartarus_docking_1syh |
Fc1ccc(CCNc2ncnc3[nH]ncc23)cc1 | tartarus_docking_1syh |
CC1Nc2ccc(Cl)cc2C(=O)O1 | tartarus_docking_1syh |
CC(=O)Cn1c(=O)oc2ccccc2c1=O | tartarus_docking_1syh |
CC(N)c1cccc2ccccc12 | tartarus_docking_1syh |
Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1 | tartarus_docking_1syh |
Cc1c(C(=O)O)nnn1-c1ccccc1 | tartarus_docking_1syh |
NNC(=O)COc1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
NC(Cc1ccc(O)cc1)P(=O)(O)O | tartarus_docking_1syh |
CC([N+](=O)[O-])C1(O)C(=O)c2cccc3cccc1c23 | tartarus_docking_1syh |
Nc1nc2ccccc2cc1C(=O)O | tartarus_docking_1syh |
Cc1ccc(-c2nn[nH]n2)cc1 | tartarus_docking_1syh |
O=C1CCC2CCc3cccc1c32 | tartarus_docking_1syh |
O=C(O)CCCC1CCCCc2ccccc21 | tartarus_docking_1syh |
O=C(O)c1cc(=O)n2c3c(cccc13)CCC2 | tartarus_docking_1syh |
O=C1Nc2ccccc2Cc2ccccc21 | tartarus_docking_1syh |
O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 | tartarus_docking_4lde |
Nc1c(N2CCOCC2)c(=O)nc2[nH]/c(=C\c3ccccc3)c(=O)n12 | tartarus_docking_4lde |
COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)/C=C/c1ccccc1 | tartarus_docking_4lde |
CC1=C/C(=N\NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 | tartarus_docking_4lde |
O=C(O/N=C1\CCCC\C1=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 | tartarus_docking_4lde |
COc1ccc([N+](=O)[O-])c(/C(=C/c2ccccc2)C(=O)O)c1 | tartarus_docking_4lde |
Cc1ccc(S(=O)(=O)N/N=C/Cc2c(C)cc(C)cc2C)cc1 | tartarus_docking_4lde |
CC(C)=CCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1 | tartarus_docking_4lde |
O=C1OCC/C1=C\c1cccc(/C=C2\CCOC2=O)c1 | tartarus_docking_4lde |
O=C(O)c1cccc(/C=C/c2ccccc2)c1 | tartarus_docking_4lde |
COC1=CC(=O)C(O)=C/C1=C\C=C\c1ccccc1 | tartarus_docking_4lde |
CC(=O)Nc1ncc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)c(NC(C)=O)n1 | tartarus_docking_4lde |
CN(C)c1ccc2nc(/C=C/c3ccccc3)ccc2c1 | tartarus_docking_4lde |
Cc1ccc2nc(/C=C/c3nc4ccc(C)cc4[nH]3)[nH]c2c1 | tartarus_docking_4lde |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.