smiles
stringlengths 15
56
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O=S(=O)(Nc1ccncc1)c1ccc2ccccc2c1 |
Cc1nn(-c2cc(Cl)ccc2N)c(=O)c2ccccc12 |
Cc1csc(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)n1 |
CC(C)c1nnc(NC(=O)c2cc3ccccc3o2)s1 |
N#Cc1ccc(Sc2nc3ccccc3[nH]2)cc1C#N |
Cn1cnnc1SCC(=O)Nc1ccc(Cl)cn1 |
Nc1nonc1C(=O)OCC(=O)N1CCCCC1 |
CCOC(=O)CSc1nc2ccccc2n1C(=O)OCC |
COc1ccc(C(=O)CSc2nc(C)cc(C)c2C#N)cc1 |
OC(COc1ccccc1)CSc1nc2ccccc2o1 |
CC(C)(C)OC(=O)N1CCCC1C(=O)NC1CCCCCC1 |
COc1ccc(C(O)c2nccn2Cc2ccccc2)cc1OC |
O=C(c1ccccc1)c1ccc(C(=O)N2CCOCC2)o1 |
O=C(CSc1ncn[nH]1)NCc1n[nH]c(=O)c2ccccc12 |
CCOC(=O)N1CCN(C(=O)c2ccco2)CC1 |
Cc1cc(C)nc(Sc2nnc(C)c3ccccc23)n1 |
CCOC(=O)C1(CC)CC(CSc2nc3ccccc3[nH]2)OC1=O |
CCC1C(=O)CN1S(=O)(=O)c1ccc(C)cc1 |
O=C(CSc1nc2cc(Cl)ccc2s1)NCC1CCCO1 |
COc1ccc(CCc2nc(-c3nonc3N)no2)cc1 |
CC1(C(=O)NCc2ccco2)COC(c2ccccc2)OC1 |
CC(C)(CO)NC(=O)CSc1ccc(C(F)(F)F)cc1Cl |
Cn1ccnc1Sc1nnnn1-c1ccccc1 |
CCOC(=O)c1c(-n2cccc2)sc(C(C)=O)c1C |
CCOC(=O)c1[nH]c(C)c(-c2csc(NC(=O)C3CC3)n2)c1C |
COc1ncc2ccn(Cc3ccccc3)c2c1C#N |
Cc1ccccc1-c1nnnn1C1CC(=O)C2OCC1O2 |
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1 |
Cc1ccccc1N1CCN(C(=O)c2ccccc2O)CC1 |
COc1cc2c(cc1OC)C(c1cccc(F)c1)N(C(C)=O)CC2 |
CS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 |
CCOC(=O)c1sc(NC(=O)c2cc3ccccc3o2)nc1C |
CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1 |
CCCC(=O)c1ccc(N2CCN(C(=O)CC)CC2)c(F)c1 |
NC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCCC2 |
O=C(c1scc2c1CCCC2)N1CCN(c2ccc(O)cc2)CC1 |
Cc1ccccc1NC(=O)C1CC(=O)OC12CCCCC2 |
COc1cc2c(cc1OC)C(C)N(S(=O)(=O)c1ccccc1)CC2 |
CC1(C)CC(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2C1 |
O=C(Nc1ccccc1Cl)c1cc2c([nH]c1=O)CCCC2 |
Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccccc1Cl |
Cc1cc(C)n(C)c(=O)c1C(=O)NCC1CCCO1 |
COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(N)c12 |
NC(=O)CSc1nc2ccccc2n1C(=O)Oc1ccccc1 |
COc1ccc2c(c1)C(=O)C(C1(O)C(=O)N(C)c3ccccc31)CC2 |
Cc1nn(C(=O)c2ccco2)c(C)c1Br |
CCc1c(C)[nH]c2nnc(-c3ccccc3OC)n2c1=O |
CCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1 |
CC(C)Nc1nc(NC2CCCC2)nc(N2CCOCC2)n1 |
FC(F)(F)c1nn2cc(-c3ccccc3)nc2s1 |
CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccc(O)cc1 |
CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccc(OC)cc1 |
c1ccc(-c2cn3nc(-c4ccccc4)cnc3n2)cc1 |
O=c1c(=Cc2cccc(O)c2)sc2nc3ccccc3n12 |
CC1CN(C(=O)c2cccs2)CCN1C(=O)c1cccs1 |
CC1(C)OC(=O)C(C(c2ccccc2)C(C#N)C(N)=O)=C(O)O1 |
Cc1ccc(NC(=O)CSc2nnc3n(N)cnn23)cc1 |
CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1cccc(O)c1 |
CC(Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 |
CCNC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1 |
NC(=O)c1oc2ccccc2c1NC(=O)CSc1ccccc1 |
c1cc2c(cc1Nc1nc3nonc3nc1N1CCOCC1)OCO2 |
NC(=O)CSc1nnnn1-c1ccc(F)cc1 |
O=C(CSc1nc2ccccc2s1)Nc1ncccn1 |
COc1cc(C(=O)Nc2nc3c(s2)CCCC3)cc(OC)c1OC |
Nc1c(C(=O)C2CC2)sc2nc3c(cc12)CCC3 |
Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1C |
COc1ccccc1N1C(=O)c2ccccc2NC1c1ccncc1 |
O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc(F)cc1F |
COc1ccc(-c2cc3c(c(=O)[nH]2)c(=O)oc2ccccc23)cc1 |
Nc1nc(-c2ccccc2O)nc2c1c(=O)oc1ccccc12 |
N#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl |
Nc1c(C(=O)C2CC2)sc2nc3c(cc12)CCCC3 |
Cc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1Cl |
N#Cc1ccc(CSc2nnnn2-c2ccccc2)cc1 |
Cc1ccccc1N1CC(C(=O)NC(C)C)CC1=O |
COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 |
CCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 |
CC1C(=O)OC(c2ccc(Br)cc2)C(C)(C)C1=O |
CCC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(F)c1 |
CCCC(=O)N1CCN(c2ccc(C(=O)CC)cc2F)CC1 |
Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccco1 |
CCC(C)NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1 |
CC(=O)Nc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)cc1 |
COC(=O)c1sc2nc3c(cc2c1N)CC(C)CC3 |
CCCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 |
CCCC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(F)c1 |
CCOC(=O)c1nnn(-c2nonc2-c2ccccc2)c1C |
Cc1nc2cc(Br)cc(Br)c2o1 |
Cc1ccc(OC(C)c2nc(-c3nonc3N)no2)cc1C |
Cc1cc(OCc2nc(-c3nonc3N)no2)cc(C)c1Cl |
O=C(COc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 |
COC(=O)c1c(NC(=O)C2CC2c2ccccc2)sc(C)c1C |
Cc1oc2c(c1C(=O)Nc1ccc3c(c1)OCO3)CCCC2 |
CCC(=O)Nc1nc(C)cc2c1c(=O)oc1ccccc12 |
CSc1ccccc1C(=O)Nc1cccc(C(C)O)c1 |
CCOC(=O)Cc1c(C)nc2c(C#N)c(C)nn2c1C |
O=C(NC1CC1)c1sc2ccccc2c1Cl |
CCC(Oc1ccccc1)C(=O)NCc1ccncc1 |
O=c1cc(C(F)(F)F)[nH]n1-c1nc2ccccc2s1 |