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molecule_smiles
stringlengths 1
3.53k
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CCN(CC(F)(F)F)C(C)(COC)C(=O)O |
Cc1cc(CNc2c(O)[nH]c3ccccc23)on1 |
CCC(CC#N)Nc1c(O)[nH]c2ccc(C)cc12 |
COCc1[nH]c(CCCCCCN)nc1C |
CCCCOCCC(N)c1ccc(F)c(F)c1 |
Cc1cc(C)c2[nH]c(O)c(NCC(C)C#N)c2c1 |
Cc1cc(C)c2c(NCC(C)C#N)c(O)[nH]c2c1 |
CC1CCCCC1(NC1CC1(C)C)C(=O)O |
CCc1ccc2[nH]c(O)c(NCC(C)C#N)c2c1 |
CCCc1[nH]c(C(N)CCOC)nc1CC |
CC(C)(Oc1ccc([N+](=O)[O-])c(F)c1)C(=O)O |
Fc1cccc(Oc2cnnc(Cl)n2)c1 |
CC(CCNC1CC1)OCc1cccs1 |
CC(CCNC1CC1)OCC1CCCCC1 |
COCc1[nH]c(CCCNC(C)C)nc1C |
CCC(CC#N)Nc1c(O)[nH]c2c(C)cccc12 |
CC1(NC(C)(C(=O)O)C2CC2)CCCCC1 |
COCc1[nH]c(CCNC(C)(C)C)nc1C |
CCOc1ccc(C)cc1C(O)c1cccnc1 |
Fc1ccc(Oc2cnnc(Cl)n2)cc1 |
Clc1nncc(Sc2ncccn2)n1 |
CC(C)N(CCC#N)c1cnnc(Cl)n1 |
CC(C1CCN(C)CC1)S(=O)(=O)Cl |
Cc1ncsc1C(C)S(=O)(=O)Cl |
COCCC(C)(C(=O)O)n1nc(C)cc1C |
Fc1ccccc1Oc1cnnc(Cl)n1 |
CCC(CC#N)Nc1c(O)n(C)c2ccccc12 |
CC1CN(C)C(C)CC1S(=O)(=O)Cl |
CCCN1CCC(S(=O)(=O)Cl)CC1 |
CC(NC1CCCNC1=O)(C(=O)O)C1CC1 |
CC(c1ccc(Cl)s1)S(N)(=O)=O |
CCc1ncc(CS(=O)(=O)Cl)s1 |
CCC(C)(NC1CCN(C2CC2)C1)C(=O)O |
CCN(CC(C)C#N)c1cnnc(Cl)n1 |
CC=CCOC1(C(=O)O)CCCCCCC1 |
COCCC(C)(C(=O)O)n1cccnc1=O |
COCC(C)(C(=O)O)N1CCCCCCC1=O |
CCc1nccn1C(C)(CCOC)C(=O)O |
CC(C1CCCN(C)C1)S(=O)(=O)Cl |
CN(CC(F)(F)F)c1cnnc(Cl)n1 |
Cc1nc(N)c(NCCOCCC(C)C)[nH]1 |
COC1CCCC1Nc1c[nH]nc1[N+](=O)[O-] |
CC1CCCC(NC2CC2(C)C)(C(=O)O)C1 |
CCC(C)(Sc1nccc(C)n1)C(=O)O |
CC1CC(C)CN(c2cnnc(Cl)n2)C1 |
CN1CCc2cc(CS(N)(=O)=O)ccc21 |
CC(C)N1CCC(S(=O)(=O)Cl)CC1 |
CC1CCCC(CO)(NC(=O)C2CC2N)C1 |
CC(CCNC1CC1)OCCN1CCCC1 |
Clc1nncc(NC2CCCCCC2)n1 |
CCC(C)(NC(C)c1nncn1C)C(=O)O |
Clc1nncc(N2CCCCCCC2)n1 |
CC1CCCCC1Nc1cnnc(Cl)n1 |
CCC1CCCCN1c1cnnc(Cl)n1 |
Clc1nncc(NCCC2CCCC2)n1 |
CC=CCOC1(C(=O)O)CCC(CC)CC1 |
Cc1nc(C(C)S(=O)(=O)Cl)cs1 |
CN(c1cnnc(Cl)n1)C1CCCCC1 |
CC1CCCCC1(C(=O)O)N1CCC(N)C1 |
CCCCN(c1cnnc(Cl)n1)C1CC1 |
CCC1CCN(c2cnnc(Cl)n2)CC1 |
CC(C)N(CC1CC1)c1cnnc(Cl)n1 |
CCCN(CC1CC1)c1cnnc(Cl)n1 |
COCC(C)(NC(C)c1ccco1)C(=O)O |
CC(CNC1CC1)COCCN1CCCC1 |
COCC(C)(C(=O)O)N(C)Cc1ccco1 |
COCCC(C)(NCc1ccco1)C(=O)O |
Cc1nc(N)c(Nc2cc(C#N)ccc2C)[nH]1 |
COC1CCCC1NC1(C(=O)O)CCCC1 |
COCC(C)(NCc1cnn(C)c1)C(=O)O |
NC(=O)N1CCC(S(=O)(=O)Cl)CC1 |
COC1CCCC1NC(C)(C(=O)O)C1CC1 |
Clc1nncc(NCC2CCCCC2)n1 |
COCCC(C)(C(=O)O)N1CC2CCC1C2 |
CCC1CCCN(c2cnnc(Cl)n2)C1 |
CC1CCCN(c2cnnc(Cl)n2)C1C |
CCNCc1cnn(-c2ccc(C#N)cc2)n1 |
CC(C)CN(c1cnnc(Cl)n1)C1CC1 |
CCCC(CC)NC1(C(=O)O)CCCCC1 |
CCCC(C)(NC1(C)CCCCC1)C(=O)O |
CCN(c1cnnc(Cl)n1)C1CCCC1 |
CC(C)CCC(C)(NC1CC1(C)C)C(=O)O |
CC(c1ccc2c(c1)CCO2)S(N)(=O)=O |
CCCC(CCC)(NC1CC1(C)C)C(=O)O |
CCC(C)(NCc1ccc(C)s1)C(=O)O |
CC(NC1(CO)CCCC1)(C(=O)O)C1CC1 |
CCCC1CCN(C(C)(CC)C(=O)O)CC1 |
CCNCCC(C)OCCc1cccs1 |
CC(C)NCCC(C)OCc1cccs1 |
CC1CCCC(C(=O)O)(N2CCC(N)C2)C1 |
CCCNCCC(C)OCc1cccs1 |
CCC(CC)(NC1(C)CCCCC1)C(=O)O |
CCCNCCC(C)OCC1CCCCC1 |
CC(CCNC1CC1)OCC1CCOCC1 |
CCc1c[nH]c(C2Cc3ccccc3CN2)n1 |
Cn1cc(Sc2cnnc(Cl)n2)cn1 |
CC(C)NCCC(C)OCC1CCCCC1 |
CN(CC(C)(C)C)C1(C(=O)O)CCCCC1 |
COCC(C)(NCCc1ccco1)C(=O)O |
CN1CCCN(c2cnnc(Cl)n2)CC1 |