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smiles
stringlengths 18
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CCc1cc(C(=O)OCC(=O)c2cnnn2C)ncn1 |
CN(C)CC(O)CNC(=O)CS(=O)(=O)NC(C)(C)C |
CCOC(=O)C(C)(C)Cc1nc(CS(=O)(=O)CC)no1 |
COc1ccc(C)cc1C(=O)NCC12CC(CCO1)C2 |
COc1c(NC(=O)C2CN(C(=O)N(C)C)C2)ccnc1C |
NC(=O)C1CC2(CC(NC(=O)CCC3(N)CCCC3)C2)C1 |
COCC1(NC(=O)CCc2[nH]nc3c2CCCC3)COC1 |
O=C(C1CC2CCC(C1)C2F)N1CCCC12CCNCC2 |
CNCC1CC(F)CN1CC1CC(C)(C)OC1(C)C |
COC(C(=O)OCc1ncc(C2CC2)o1)C1CCCC1 |
Cc1nc(C(C)NC(=O)c2cc(Cl)c(C)cn2)c(C)[nH]1 |
CCc1cc(NC(=O)Nc2nocc2C2CCC2)[nH]n1 |
CCn1ccc(NS(=O)(=O)c2ccccc2COC)n1 |
CCOc1ccc(C(CO)NC(=O)c2nocc2C)cc1 |
COc1c(C)cc(C)cc1CNC(=O)CCOC(C)C |
CC(=O)N1CCCC1C(=O)NS(=O)(=O)N1CCOCC1 |
CN(C1CC1)S(=O)(=O)N1CCCCC1Cn1ccnn1 |
COC(=O)C(O)CNS(=O)(=O)CCCN1CCCC1 |
Cc1nc(CCCC(=O)NS(=O)(=O)CC(C)C)cs1 |
CC(NS(=O)(=O)Cc1c(Cl)cccc1Cl)C1(CO)CC1 |
COc1cc(C)cc(C)c1C(C)NC(=O)C1(F)CCOC1 |
OC1(C(F)(F)F)CCCN(c2ncccc2C(F)F)C1 |
CC(C)(C)C1COCCN1C(=O)C1COCCC1(F)F |
O=C(NCc1n[nH]c(Br)n1)C12CC(CF)(CO1)C2 |
COC1CC2(c3nc(-c4ccnc(N(C)C)c4)no3)CC12 |
O=C(c1sc2ncccc2c1Cl)N1CCNC(C2CC2)C1 |
CC(C)C(=O)N1CCCC1C(=O)Nc1ccc(=O)[nH]n1 |
CC1(C(=O)NC(CO)c2ccc(F)cc2F)CC1(F)F |
CNc1nc(C)ccc1C(=O)N1C2CCCC1COC2 |
CC(CCNC(=O)CS(=O)(=O)NC(C)(C)C)[S+](C)[O-] |
Cc1cc(C)c(NC(=O)CNC2CSCC2C)c(C)c1 |
O=C(O)C1CSCCN1S(=O)(=O)c1ccc(C2CC2)s1 |
CCc1ccccc1CC(=O)NS(=O)(=O)C1CCCOC1 |
COCC12CC(C1)N(C(=O)c1ncoc1C(C)(C)C)C2 |
CC(C)N1C(C)CN(C(=O)NCc2ccnn2C)CC1C |
CCc1c(C(=O)N2CCC2CC2CCCC2)cnn1C |
CCOc1ccc(C)cc1S(=O)(=O)N(C)CCOC |
CCCN1CC(NC(=O)NC2CCC3(CC2)CC3)CC1=O |
COC(=O)Nc1ccc(C(=O)NC23CCC(CC2)C3)cc1 |
O=C(NCC1CCSC1)Nc1ncc(C2CC2)cn1 |
Brc1csc(CN2CCC23CCCNC3)n1 |
COC(=O)C1(C)CCCN(C(=O)CC23CCC(CC2)N3)C1 |
O=C(NCC1CC12CCC2)Nc1cccc2c1OCC2 |
COc1ccccc1C(=O)NCc1ccnn1CC(C)C |
CCC(C)C(O)CC(=O)NCc1coc(-c2cccs2)n1 |
CC1CC(NC(=O)c2ccc(S(C)(=N)=O)cc2)CCN1 |
CCOC(=O)C(F)(F)CCn1cc(CNCC(C)C)nn1 |
COCc1ccsc1C(=O)NCC1(C(=O)OC)CNC1 |
CCc1c(NC(=O)C(C2CC2)S(C)(=O)=O)cnn1C |
CC1=NOC(C)(C(=O)Nc2cccc3c2CCNC3=O)C1 |
Cc1cnc(C(=O)N2CCCC3(C)COCC23)c(C)c1 |
Cc1cc(F)cc(C(=O)N2CCC(C(C)CO)CC2)c1C |
CN1CCN(Cc2cccc(C(F)(F)F)n2)C(CO)C1 |
COC(C(=O)N1CC(O)(C2CCC2)C1)c1ccc(F)cc1 |
Cc1coc(NC(=O)NC2CCN(C)C(C)C2)c1C#N |
CCC1(CN2CCC(CN=S(C)(C)=O)CC2)COC1 |
CCc1oc(C)cc1C(=O)NCc1cc2c(cn1)OCO2 |
CNC(=O)CCC(=O)Nc1ccccc1C1CCC(=O)N1 |
CCN1CCCC(NC(=O)C2(C)CC(C(=O)O)C2)C1=O |
CCSCc1cc(C(=O)N2CCOC2C(F)(F)F)no1 |
COC(C)C(NC(=O)c1cccc2c1SCCC2)C(=O)O |
CS(=O)(=O)C1CCCCN(Cc2nc3c([nH]2)CCCC3)C1 |
CCC1COC(C)(C)CN1Cc1ccc(C(=O)OC)nn1 |
Cc1cc(C)c(CN2CCOCC2C2CCOCC2)cn1 |
COC(=O)c1ccc(NCCn2cnnn2)c(C#N)n1 |
O=C(NCc1cc(C(F)F)on1)C1(F)CC2(CCC2)C1 |
CCCC(CC1CCCC1)C(=O)N(C)CC(C)C(=O)NC |
Cc1csc(Cl)c1NC(=O)NC1(CO)CC(O)C1 |
COCC(C)(C)CS(=O)(=O)N1CCN(CC(C)O)CC1 |
COC1(CNC(=O)CSc2cccs2)CCOCC1 |
COC(=O)NC1CCN(C(=O)C2CNCC23CCC3)CC1 |
CCNC(=O)C(C)NC1(C)CN(C(=O)OC(C)(C)C)C1 |
CC(=O)c1cc(C(=O)N2CC(CN)CC2C)ccc1C |
COc1nscc1CN1CCNCc2ccccc21 |
COC(=O)C1CCC(C(=O)Nc2cc(C(F)F)n(C)n2)O1 |
O=C(c1c(C2CC2)n[nH]c1Cl)N1CC(F)(CO)C1 |
CCC1(C(C)C)CC1C(=O)N1CCn2ncc(O)c2C1 |
COc1cncc(NC(=O)c2cc3n(n2)C(C)CCC3)c1 |
CC(CN1CCNCC1c1cn[nH]c1)c1ccc(F)cc1 |
COc1cc(C)c(NC(=O)NCc2cc(Cl)n(C)n2)cn1 |
O=C1OCC(C(=O)NC(C(F)F)C2CC(F)(F)C2)O1 |
COc1cccc(CN(C)C(=O)C2CCC(=O)N2C)n1 |
O=C(Nc1nnc(-c2ccccc2)s1)C1CCC(F)CN1 |
Cc1nc(C(F)(F)F)oc1C(=O)N1CCCS(=O)(=O)CC1 |
CCN(C)C(=O)C(C)NC(=O)c1cscc1C(F)F |
NCC1(F)CCC(NC(=O)C23CC2CCC3(F)F)C1 |
Cc1c(C(=O)NCC2CCCS2)cnn1CC(C)C |
CC1(C(=O)NC2CC(C#N)CC2O)CCNCC1(F)F |
COc1nn(CC(=O)Nc2ccccc2Br)c(=O)n1C |
CN(CC(=O)NCc1cccc2c1NC(=O)CO2)C1CC1 |
CC(C(=O)N1CCOC2(CCNC2)C1)n1cc(Br)cn1 |
Cn1cnc(C(=O)N2CC(=O)NCC2c2ccccc2)c1 |
CCC1(C)CCC(CNC(=O)N2CC(C)(OC)C2)O1 |
CCCOC1CCC(NC(=O)NC(C)CC(N)=O)CC1 |
COc1c[nH]nc1C(=O)N1CCC(Oc2ccccc2)C1 |
Cc1ccsc1S(=O)(=O)N1CCSC(C(F)(F)F)C1 |
CCc1nn(CC(CC)CC(F)F)c(=O)c(C#N)c1CC |
CNC1CCN(C(=O)C2CC2c2ccc(Br)cc2F)C1 |
CCC(OC)C(=O)NC1(C(=O)O)CCCC(C)(C)C1 |
CCn1cc(S(=O)(=O)NCC2CC3OC2C2CC32)nc1C |
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