smiles
stringlengths 15
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Clc1ccc(COc2ccc(CNn3cnnc3)cc2)cc1 |
COc1cc(CNn2cnnc2)ccc1OCc1ccc(Cl)cc1 |
Cn1c(=O)n(C)c(=O)n(CC(=O)N2CCCCC2)c1=O |
O=C1Nc2ccccc2C1=c1sc2n(c1=O)CCCN=2 |
O=c1[nH]n(-c2nn3nnnc3c3ccccc23)c(=O)c2ccccc12 |
c1cnc2c(SCC3CCOCO3)cccc2c1 |
CCc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1 |
O=C(CSc1nc2ncccc2[nH]1)N1CCOCC1 |
CC(C)(C)NC(=O)CSc1nc2ccc(Cl)cc2o1 |
Nc1nonc1-c1noc(-c2cccc(Br)c2)n1 |
Nc1c2c3c(c(Cl)ccc3[nH]c1=O)C(=O)c1ccccc1-2 |
CCN(CC)C(=O)c1sc2nc3c(cc2c1N)CCC3 |
Cc1cc(OC(C)c2nc(-c3nonc3N)no2)ccc1Cl |
CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N |
COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)cc2c1OCOC2 |
CSc1cccc(NC(=O)c2cncc(Br)c2)c1 |
Nc1nonc1-c1noc(-c2cc(F)c(F)cc2Cl)n1 |
C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1 |
O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1 |
O=c1c(O)c(-c2cccnc2)oc2ccc(Cl)cc12 |
Nc1nnnn1CC(=O)OCc1cccc(Br)c1 |
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccnc1 |
Nc1nonc1-c1noc(Cn2nnc3ccccc32)n1 |
COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)OC |
Nn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O |
Cc1nc(S(=O)(=O)n2ccnc2)c(C#N)c(C)c1Cl |
Oc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2cccnc12 |
O=C1CC(C(=O)NCCc2ccccc2)C2(CCCCC2)O1 |
CCCn1nc(Oc2nc(N(C)C)nc(N(C)C)n2)ccc1=O |
CC1(C)C(=O)OC(C(=O)c2ccc(F)cc2)C(C)(C)C1=O |
N#Cc1cnn2c(C(F)(F)F)c3c(nc12)CCCC3 |
CN(C)c1nc(Oc2ccc(OCC(N)=O)nn2)nc(N(C)C)n1 |
CC(=O)c1c(C(C)=O)c(C)n(Cc2ccco2)c1C |
CC(C)CNS(=O)(=O)c1cccc2cc(N)ccc12 |
O=S(=O)(NCc1cccnc1)c1ccc(Cl)c2ccccc12 |
COc1ccccc1NS(=O)(=O)c1ccc(OC)c2ncccc12 |
Cc1cc(S(=O)(=O)NCc2ccccc2)c2ncccc2c1 |
O=C1Sc2ccc(S(=O)(=O)N3CCOCC3)c3cccc1c23 |
C=CCN(CC=C)S(=O)(=O)c1ccc(OC)c2ncccc12 |
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(F)cc1 |
CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccco2)c1C#N |
Cc1nnc2nc(-c3ccc(Br)cc3)[nH]n12 |
COc1ccc(C2NC(=O)c3ccccc3O2)cc1OC |
N#Cc1ccc(-c2ccncc2)nc1SCC(=O)NC1CC1 |
COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1OC |
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccn2)c1 |
CC(=O)Nc1nc2ccc(NC(=O)c3ccc(N)cc3)cc2s1 |
COc1nc(NCc2cccnc2)nc(N2CCC(C)CC2)n1 |
Nn1cnn2c(SCC(=O)c3cccs3)nnc12 |
CCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1nnc(C)s1 |
O=C1c2ccccc2S(=O)(=O)N1c1c(F)c(F)nc(F)c1F |
COc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1 |
O=C1NC23NC(=O)NC2(N1)c1ccccc1-c1ccccc13 |
Cn1c(=O)c2c(nc(Sc3nc4ccccc4[nH]3)n2C)n(C)c1=O |
O=C(CSc1nc2ccccc2s1)Nc1ccncc1 |
O=C(CSc1ccccc1)Nc1nnc(C(F)(F)F)s1 |
O=C(CSc1ncnc2[nH]cnc12)NCC1CCCO1 |
Fc1cccc(CSc2nnnn2-c2ccc3c(c2)OCO3)c1 |
COc1ccccc1-n1c(C)nc2ccccc2c1=O |
CN1C(=O)C(O)(CC(=O)c2cccnc2)c2ccccc21 |
COC(=O)C(C)Sc1nnc(-c2ccncc2)o1 |
COc1ccc(C2=Nn3cnnc3SC2)cc1OC |
Cc1ccc(-c2noc(CN(Cc3ccco3)S(C)(=O)=O)n2)cc1 |
Cc1nc2ccc(-c3ccc4nc(C)n(N)c(=O)c4c3)cc2c(=O)n1N |
O=C1CC(c2ccccc2F)c2cc3c(cc2N1)OCO3 |
CC(C)=C1CCC2(C)OC(=O)C(Cc3ccccn3)C12C |
COCc1cc(C)nc(SCC(=O)NCc2ccco2)c1C#N |
COCc1cc(C)nc2sc(C(=O)NCc3ccco3)c(N)c12 |
Cc1cc(C)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C |
COc1ccc(-n2nnnc2SCc2nc3ccccc3[nH]2)cc1 |
O=C1CC(n2c(=O)oc3ccccc32)C2COC1O2 |
Cc1nc2cccc(C(=O)NC3CCCCC3)c2o1 |
Cn1c(=O)c2c(-c3ccccc3)n(Cc3ccccc3)cc2n(C)c1=O |
Cn1c(=O)c2[nH]c(-c3ccc(Cl)cc3)c(O)c2n(C)c1=O |
CCOc1cccc(=O)c2c(C)n(Cc3ccco3)c(C)c12 |
CC(=O)c1c(C(C)=O)c(C)n(CCc2c[nH]c3ccccc23)c1C |
CC(=O)c1c(Nc2ccc(C)cc2C)oc(C)cc1=O |
COCc1cc(C)nc2sc3c(=O)oc(-c4ccco4)nc3c12 |
CCOc1ccc(CCNC(=O)N2CCOCC2)cc1OCC |
Nc1cc(N)nc(Sc2ncnc3ccccc23)n1 |
O=C1CC(C(=O)Nc2c(Cl)cccc2Cl)C2(CCCCC2)O1 |
Cc1nc2nc(S(=O)(=O)N3CCOCC3)nn2c(C)c1C |
N#CCc1ccc(NC(=O)c2ccccc2Cl)cc1 |
Cn1c(=O)n(-c2ccc(S(N)(=O)=O)cc2)c(=O)n1C |
CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1C(C)C |
Cn1c(CS(=O)(=O)c2ccc(Cl)cc2)c(C#N)c2ccccc21 |
C#CC(C)(CC)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O |
O=C(C1CCCCC1)N1CC(=O)N(CCc2ccccc2)C(O)C1 |
CCOC(=O)c1[nH]c(C)c(CNc2cccc(F)c2)c1C |
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc2c(c1)OCO2 |
CCOC(=O)C=C1NC(C)(C)Cc2cc3c(cc21)OCCO3 |
COC(=O)c1cc(=O)n2c(-c3ccccc3)csc2n1 |
O=C(c1c[nH]c2ccccc12)C(O)c1ccc(Cl)cc1 |
CCOc1ccc(Nn2c(N)c(O)[nH]c2=O)cc1 |
COc1cc(NC(=O)Oc2ccccc2)ccc1C#N |
Cc1cc(C)n(CCc2ccccc2)c(=O)c1C#N |
COc1ccc(NC(=O)CSc2nc3c(N)ncnc3[nH]2)cc1 |
Cc1c(Cl)cccc1N1CC(C(=O)Nc2nccs2)CC1=O |
O=C(CNC(=O)c1ccccc1)OC1CCCCC1 |
Cc1cc(C)nc(SCC(=O)Nc2ncccn2)n1 |