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smiles
stringlengths 18
55
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CC(N(C)C(=O)C1(n2ncc(Br)n2)CC1)C(C)(C)C |
O=C(C1=C(Cl)CCOC1)N1CCC(CO)C12CCOCC2 |
O=C(Cc1ccc(F)cc1)CN1CCC(c2nn[nH]n2)C1 |
CNC(=O)OC1CN(C(=O)c2c(OC)nn(C)c2Br)C1 |
CC(C(=O)N1CC2(CC(C(=O)OC(C)(C)C)C2)C1)C1CC1 |
CC1CC2(CO1)CC(NC(=O)C1(C(F)(F)F)CC1)C2 |
Cc1ccc(CNC(=O)Cc2nonc2C)c(Br)c1 |
COC1CCC(C)(C(=O)NC2(CCF)CCC2)CC1 |
COCCS(C)(=O)=NC(=O)c1ccc2ncccc2n1 |
O=S(=O)(CCc1cccc(F)c1)NCC1CC1CF |
CN(C(=O)CC1CC(c2ccccc2)C1)C1CCOC1 |
CCCN(CCC)C(=O)CSCc1ccc(C(=O)OC)o1 |
CN1CCc2nc(NC(=O)C3CC4(CCOC4)C3)sc2C1 |
CCN(CCNC(=O)c1ncc2n1CCNC2)C(C)C |
COc1ccc(C)nc1C(=O)N(C)Cc1cccc(C)n1 |
COCC1CCOCCN1CC(O)c1ccc(Br)cc1 |
COc1ccc(CC(=O)N2CCC3CCCC3CC2)nc1 |
Cc1nc(C2CC2)sc1C(=O)N(C)CC1CC(C)CO1 |
CC1CCNCC1NC(=O)c1cc(F)cc2ccccc12 |
CCC1CCNC(C(=O)N2CC3(CO)CCCC2C3)C1 |
COC(=O)C1CC(NC(=O)NCc2cc(C)cc(F)c2)C1 |
O=C(Nc1nc(Cl)ns1)N1CCCC(=C(F)CO)C1 |
O=C(Nc1cnn(-c2ncccn2)c1)C1CCCNC1 |
COC(=O)c1c(S(=O)(=O)N2CCOCC23CC3)cnn1C |
COC(=O)c1c(NC(=O)C(CC2CC2)OC)csc1C |
CNCC1CCCCN1C(=O)c1cc(C)oc1C(F)(F)F |
CCS(C)(=O)=NC(=O)C12CCC(=O)N1CCS2 |
COCc1ccc(C(=O)N(C)Cc2ccc(Br)cn2)[nH]1 |
CCN(CC1CCCO1)C(=O)NCc1nnc(C)n1C |
N#CCC(=O)NCCC1(O)CCN(c2ccccc2)CC1 |
CN(CCC(O)c1ccccc1)C(=O)NCC(F)(F)F |
CC(C)(C)N1CCCC(NC(=O)NCC2(F)CC2)C1 |
CC(F)(F)c1cc(CNC(=O)Cc2csc(CN)n2)no1 |
COc1ccc(C)c(C(=O)N2CC(CCC(F)(F)F)C2)n1 |
COC1CN(C(=O)C2CN(S(N)(=O)=O)C2)C2(CCCC2)C1 |
Cc1cc(S(=O)(=O)NC(CC(=O)O)C(=O)O)sc1Cl |
COCC(NC(=O)NC(C)Cc1ccc(Cl)s1)C(=O)OC |
OCCC1(NC(c2ccccc2)C(O)CO)CCOCC1 |
COC(C(C)NC(=O)CC1(C)CCOCC1)C(F)(F)F |
COC(=O)C1(CN2CCC(c3cnccn3)CC2)CCC1 |
O=C(NCC1CC(F)(F)C1)NC1CCCC1n1ccnc1 |
CCSc1ccccc1CC(=O)N1CC(CO)OCC1C |
O=C(NC1(CCO)CNC1)C1CNCc2ccnn2C1 |
CCOC12CC(C1)N(C(=O)c1nc(OC)cc(OC)n1)C2 |
CC(C)(C)c1cc(NC(=O)c2cnn(CCN)c2)sn1 |
Cc1nn(C)c(C)c1C(=O)N1CCC(C)(C2CC2)CC1 |
CC(Oc1ccc(Br)cc1)C(=O)N1CC2CC(C1)N2 |
CC(NS(=O)(=O)Cc1csnn1)c1cc(Cl)ccc1F |
CN(C)C1CN(C(=O)CCC2CCCC(O)C2)CC1O |
O=C(CCc1nc2cccnc2[nH]1)N1CCC(F)CC1 |
COC1CC1C(=O)N1CCCC2c3[nH]c(C)nc3CCC21 |
COC(=O)CC(C)(C)CC(=O)NC(CO)CC1OCCO1 |
CC(=O)c1ccccc1C(=O)N(C)C1CCC(=O)N(C)C1 |
O=C(Nc1c[nH]c(=O)c(F)c1)C1CCCCCS1(=O)=O |
O=C(Nc1nocc1C1CC1)c1ccc2c(n1)COCC2 |
CC(COC(F)F)NC(=O)N1CCC(O)C12CCC2 |
O=C(NC1CCCC(O)C1)c1cccnc1SC(F)(F)F |
Cn1ncnc1CCNC(=O)N1CCCOC(C)(C)C1 |
O=C(O)C1C2CCC(C2)CN1Cc1cc2n(n1)CCC2 |
O=C(CN1CCSC2(CCOCC2)C1)NCC1CC1 |
CCOCc1nnc(CN2CC(O)C(C3CC3)C2)s1 |
COC1CC(NC(=O)C(C)NC(=O)C2CCC(=O)N2)C1 |
CCc1ccc(S(=O)(=O)N2CCC3CCC(O)C2C3)o1 |
O=C(CNC(=O)C1CC1)NC(CCSC(F)(F)F)C(=O)O |
CCc1nonc1C(=O)N(C)CCOC1(C)CCCC1 |
CCCN1CCC(NC(=O)Nc2ccc3scnc3c2)C1 |
COCCC1COCCN1C(=O)C12COC(CCO1)C2 |
CCNC(=O)C(C)OC(=O)c1ccc2c(c1)C(=O)CCC2 |
COCc1noc(CN2C(=O)CCN(CCSC)C2=O)n1 |
CC1CCS(=O)(=O)CCN1C(=O)C12CCCC1(C(N)=O)C2 |
Cc1cccc2c1NCCC2C(=O)NCCC(C)C(=O)O |
CN(C)CC1CC(O)CN1c1nc(C2CCCC2)ns1 |
COC(=O)c1c(CCC(=O)N(C)C(C)CSC)c[nH]c1C |
COCc1cc(CNC(=O)N(C)C(CO)C(C)C)on1 |
CC(C)C(=O)N(C)CC(=O)NC(C(C)C)C1(CO)CCC1 |
CC1CC(CNC(=O)Nc2ccccc2CN)CCO1 |
CC1OCCC1Cc1noc(C2CCC(C(N)=O)CC2)n1 |
COc1cnccc1C(=O)N1CCc2nncn2CC1 |
CNC(=O)c1ccc(C(=O)OCCc2cnnn2C)cn1 |
NS(=O)(=O)C1COCCN(Cc2noc3c2CCC3)C1 |
CCOC(=O)c1c[nH]c(NC(=O)C2CCCC2SC)n1 |
O=C(NC1CCc2cc(F)c(F)cc21)C1CCC(O)C1 |
Cc1csc(C(=O)NCc2nnc3n2CCNC3)c1Cl |
O=C(O)C1=CCCN(C(=O)COc2cccc(O)c2)C1 |
CCOC(=O)C1(NC(=O)C(C)O)CC2(CC(F)(F)C2)C1 |
O=C(C1C2CNC1C(O)C2)N1CC(c2ccc(Cl)cc2)C1 |
CC(Sc1nncn1C)C(=O)Nc1cccc2c1CCN2 |
CC(N)C(C)NC(=O)NCC1(c2ccccc2Cl)CC1 |
CNCc1ccc(CNC(=O)CC2COCCN2)cc1 |
Cc1ccn(-c2ccccc2C(=O)N2CCCC2CN)n1 |
O=C(O)C1(O)CCCN(c2cc(N3CCCC3)ncn2)C1 |
COC(=O)C1(NCc2ncc(C)s2)Cc2ccccc2C1 |
Cc1ccc(C2(NCC3CCC4(COC4)O3)CC2)cc1 |
Cc1nccn1CCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 |
CC(C)n1ncc(NC(=O)NCCC(C)[S+](C)[O-])n1 |
O=C(CCc1nncs1)N1CCN(CC(F)(F)F)C(=O)C1 |
CCNc1ncc(C(=O)N(C)CC(C)(CC)OC)s1 |
CCc1c[nH]c(C(=O)N2CCCC2c2nc(C)co2)c1 |
Cc1noc(C(C)NC(=O)c2ncoc2C2CCCO2)n1 |
CC(=O)Nc1cc(NC(=O)C2CC(O)C(F)C2)ccc1Cl |
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