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smiles
stringlengths 18
54
|
|---|
CCNC(=O)CCCC(=O)Nc1cc(C)c(OC)cc1C |
Cc1c(F)cccc1NC(=O)C1CN2CCCC2CO1 |
O=C(O)CCC1CC(NC(=O)CCCc2ccncc2)C1 |
Cn1cnc(C(=O)NCC2CCc3ccccc32)cc1=O |
CCn1nc(C)c(C(=O)OCCc2c(C)noc2C)c1C |
O=C(NCC1CC2CC1C(O)C2O)C1=C(Cl)CCC1 |
COC1CCC1CN1CCCC(NC(=O)OC(C)(C)C)C1 |
CNC(=O)C1CCCN(S(=O)(=O)c2c[nH]c(C(=O)O)c2)C1 |
CC(O)CNCc1ccc(CN2CCS(=O)(=O)CC2)cc1 |
COC(=O)C(N)C(C)NC(=O)c1cnn(CC(F)(F)F)c1 |
CN1CC(C(=O)NC(C)(C)c2ccc(F)c(F)c2)CC1=O |
CN(CC(C)(C)C#N)C(=O)NCC1CC(C)(C)OC1(C)C |
CC(C)(C)CC1CC(C(=O)N2CC(c3ncccn3)C2)C1 |
CN(C)CCN(C)CCCN(C)C(=O)C1CCC1C(=O)O |
CCc1cc(=O)[nH]c(CNC2CCc3c(O)cccc32)n1 |
CNC(=O)C1CCCCN1C(=O)c1nc(N)ccc1C |
CN(C(=O)c1cc(C#N)ccc1F)C1COC(C)(C)OC1 |
Cc1ccnc(N2CCCC(N(C)C)CC2)c1C(N)=O |
Cc1cccc(CC(C)N(C)C(=O)NCC(N)C(C)C)c1 |
Cn1cc(C(F)(F)C(=O)NC2CCSC3(CCC3)C2)cn1 |
CC(NS(=O)(=O)CC1CCCC(C)(C)O1)c1ccns1 |
CC1COC(c2ccccc2)CN1C(=O)C1COC(=O)C1 |
COC(=O)c1cncc2[nH]cc(CN(C)C(C)C3CC3)c12 |
Cc1nc(C(C)(C)NC(=O)c2cc(C3CC3)ns2)no1 |
Cc1ccc(NC(=O)c2cnc(C)c(C)c2)c(C(N)=O)c1 |
CC1(C)CC(C)(C(=O)N=S(C)(=O)c2cccc(CO)c2)C1 |
N#CC1CC12CCN(c1nc(N)c3c(n1)COC3)CC2 |
COC(=O)c1coc(C2NC(=O)c3ccc(C)cc3N2)c1 |
CC(C)C1COCCN(C(=O)NC2CCN(C)C2=O)C1 |
COCC1c2ccccc2CN1C(=O)c1ccn(C)c1 |
CC(C#N)Oc1cccc(CC(=O)NCC(=O)N(C)C)c1 |
CCc1cc(CNC(=O)c2cn(C(C)C)nc2C)[nH]n1 |
C[S+]([O-])c1ccccc1NC(=O)CC1COC(=O)N1 |
Cc1cc(N2CCCC2C2CCCOC2)nc(C)c1C#N |
CC(CNC(=O)C1CC2CC(=O)C1C2)Cc1cccs1 |
CCC(C)C(NC(=O)N1CCCS(=O)(=O)CC1)C(F)(F)F |
CC(C)(C)n1cc(C(=O)NCC(=O)O)c(Br)n1 |
CC1(C)CC(CO)(C(=O)NCCN2CCCC2(C)C)C1 |
CC1(C)C(CC(=O)OCC(=O)C2CCS(=O)(=O)C2)C1(C)C |
CCCC(NC(=O)c1cc(C(C)=O)cs1)C(=O)OC |
CCOC1CC(N(C)C(=O)c2c(C)noc2C(C)C)C1 |
Cc1csc(S(=O)(=O)N2CCn3c(CN)nnc3C2)c1 |
O=C(CC=Cc1ccccc1F)NC1COC2(COC2)C1 |
O=S1(=O)CC(CCOc2cccc(Cl)c2Cl)C1 |
CCC(C)(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)OC |
O=C(C1CCCSC1)N1CC2OCCCC2(CO)C1 |
O=C(CCc1ccc(Br)cc1)NCC1COC2CC1C2 |
CCCNC(=O)CN(Cc1ccc(OC)cc1)C1CC1 |
CCN(CCCC(=O)OC)S(=O)(=O)c1ccc(C)cc1 |
CS(=O)(=O)N1CCC1C(=O)N1CCCS(=O)(=O)CC1 |
CC(C)(C)OCCN(C(=O)CC1COC(=O)N1)C1CC1 |
O=S(=O)(NCCC1CCCNCC1)c1c[nH]cn1 |
CN(C)S(=O)(=O)c1ccc(NC2CC3CNC(C3)C2)nc1 |
CCCN(C(=O)C1(NC(C)=O)CC1)C(C)C(=O)OCC |
COC(=O)C12CC(NC(=O)C3CC(S(C)(=O)=O)C3)(CO1)C2 |
O=C(NC1CNC(=O)C12CC2)c1cccc2c1CCCC2 |
O=S(=O)(c1sc(Cl)cc1Br)N1CC(CF)C1 |
CCOC(=O)CNC(=O)N(CC(=O)OCC)C1CCC1 |
COC(=O)C(O)CCNC(=O)c1cn(C(C)(C)C)nc1C |
CCCN1CCN(c2ccc(C(F)(F)F)nc2)CC1 |
Cc1cccc(C(F)(F)CNC(=O)CC2(O)CNC2)c1 |
CCOC(=O)c1nc(CNC(COC(F)F)C(C)C)ns1 |
Cn1nc(C(=O)N2CCS(=O)(=O)CCN2)cc1Br |
CCc1n[nH]c(C(C)NC(=O)NCc2ncnn2C)n1 |
CCOC(=O)N1CCC(C)(CN2CC3COCC3C2)CC1 |
COCC12CN(C(=O)CCc3c[nH]cn3)C(C(=O)O)(C1)C2 |
COCCC1CCN(c2nc3c(F)cccc3n2C)CC1 |
CC(C)CN(CC(=O)O)C(=O)CC(O)c1ccc(F)cc1 |
COC(=O)C1CCC(C)(C)N1C(=O)c1c[nH]c(C#N)c1 |
O=S(=O)(NC1CCN(CCF)CC1)N1CCC(F)(F)CC1 |
CCn1cnc(C(=O)N2CCn3c(COC)nnc3C2)c1 |
COCC(C)CNS(=O)(=O)CC1(C(=O)OC)CC1 |
CNC(=O)NCC1CCCN1Cc1nccc(OC)c1C |
Cc1cnc(CCN2CCC(OCC(=O)O)CC2)c(C)c1 |
CN(CC1CCCN1C)c1nc(C#N)c(Cl)s1 |
Cc1ccc(CNC(=O)CNCC(F)(F)F)nc1C |
CC(C)(F)C(C)(C)NS(=O)(=O)c1cncc(C#N)c1 |
CCN(CC)CCCC1CCN(C(=O)CNC(C)C)CC1 |
NC1CC(O)(C2CCN(CC3CCS(=O)(=O)CC3)CC2)C1 |
COCC(=O)N1CC(C)(NC(=O)C(F)C(C)C(F)(F)F)C1 |
CCCCN(C)CC(C)NC(=O)NCC(C)(O)CCC |
CC(NC1Cc2nccn2C1)c1cnn(CC2CCC2)c1 |
N#CC1(C(=O)NCC2CCNC3(CCC3)C2)CCSCC1 |
NC1CCN(C2CCN(CC(O)C3CCCCC3)C2)CC1 |
CCOC(CNC(=O)c1cncc(N)c1)C(F)(F)F |
CCN(CC(C)(C)C)C(=O)COCc1ccc(C#N)cc1 |
CC(C)CC(CO)CNC(=O)NCc1ccc(O)cc1 |
CC(O)(CNCC(O)COC1CCOCC1)C1CCCC1 |
CC(C)(C#N)C(=O)N1CCC2(CCC(C(=O)O)C2)CC1 |
Cn1ncc(C2CC2)c1CNC(=O)C(N)Cc1cncs1 |
CC1CC(O)CN(C(=O)Cc2coc3ccc(F)cc23)C1 |
CCOC1CC(NC(=O)N(C)CC(C)(CO)CO)C1 |
Cc1ccc(N(C)C(=O)CNC2CCC23CCCO3)cc1 |
CN(C)c1nccnc1NCC1CCCC(C2CC2)O1 |
CC(NC(=O)c1c(Br)noc1C1CC1)C1CCOCC1 |
CCS(=O)(=O)N1CCCC1CNCC1CC2CCC2C1 |
CCn1cnnc1C1CN(Cc2c(Cl)cccc2OC)C1 |
COCc1nc(OC)cc(N2CCC3(C2)CC3(F)F)n1 |
CSc1cc(C)c(C(=O)NC2(c3ccnn3C)COC2)o1 |
NC1CC(CC(=O)NCc2cnc3ccsc3c2)C1 |
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