smiles stringlengths 4 254 |
|---|
Fc1ccc2nncn2c1 |
N[C@@H]1CCc2c[nH]nc2C1 |
c1cnn(C2CNC2)c1 |
COC(=O)[C@@H](N)Cc1ccc(O)cc1 |
FC[C@@H]1CCCN1 |
COC(=O)C[C@H](N)c1ccccn1 |
NCc1ncc(Br)cn1 |
CNC1=NC(C(F)(F)F)=NOC1 |
C[C@H]1CC[C@H](CO)CN1 |
CN(C)[C@H]1CCCC[C@@H]1N |
C[C@]1(O)C[C@H](CN)C1 |
O[C@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@H](C3)[C@H]12 |
NCCc1cncc(O)c1 |
O=C1N[C@H]2C3CCC(CC3)[C@H]12 |
CCCC(=O)CC(=O)N1CCOCC1 |
Cn1nccc1C12CC(CN1)C2 |
COC(=O)C1=C(F)CNCC1 |
O=C1CCC(=O)N1c1ccccn1 |
O=C(O)c1ccc(CO)cc1 |
O=Cc1cc(CO)ccc1O |
CCCN[C@@H]1CCS(=O)(=O)C1 |
COc1ccccc1NCCC(N)=O |
CCOC(=O)Cn1nc(C)cc1N |
O=C(O)O |
C[C@H]1CN(CCCN)C[C@H](C)O1 |
COc1cc(CN)ccn1 |
COCCNCC1CC1 |
CC(C)[C@@H](N)C(=O)N1CCCCC1 |
Cc1cc(=O)cc(C2CNC2)[nH]1 |
NC[C@@]1(O)CCOc2ccccc21 |
CCC[C@@H](N)C(=O)OC |
CON(C)C(=O)[C@@H]1CCOC1 |
Cn1nc2c(c1N)CSC2 |
CB1NN=C([N+](=O)[O-])c2sccc21 |
C=CC(=O)N[C@@]1(C)CCCOC1 |
COc1ccc2c(n1)N[C@H](C(=O)O)C2 |
O=C(NC/C=C/Cl)c1cnc[nH]1 |
OCc1cc(C2CCNCC2)no1 |
NC[C@@H]1CC[C@@]12CCCO2 |
CC(C)(C)[C@@H](N)CO |
C[C@H]1CCOC1=O |
NC(=O)c1ccc(O)cc1O |
CCOC(=O)[C@@H](C)F |
O=C1NCCN1c1nccs1 |
O=C1CCC(O)CC1 |
CN1CCC2(CC1)NC(=O)N=C2O |
NC(=O)c1cn2ccccc2n1 |
CNC[C@@H]1CCCOC1 |
CCNC(=O)c1ccc[nH]1 |
N[C@@H](CC1CCOCC1)C(=O)O |
C1CC2(CCOCC2)N1 |
CNc1cnccc1C(=O)O |
CN1CCCC12CNC2 |
O=C(O)c1ccc2cn[nH]c2n1 |
N[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2 |
CO[C@H]1C[C@@H](N)C1 |
COc1cccn2c(C(=O)O)nnc12 |
O=C(O)c1cc2n(n1)CCCNC2 |
CCn1cccnc1=N |
CCOC1(CO)CCC1 |
COC[C@@H](N)[C@@]1(O)CCCSC1 |
COC(=O)[C@H]1[C@H]2CCCC[C@@H]2[C@H]1N |
CNC1CCC2(CC1)COCCO2 |
COC[C@@](C)(CO)C[C@@H](C)CO |
NC(=O)[C@H](CO)c1ccccc1 |
N[C@H]1CCC[C@@H](C(=O)O)C1 |
Sc1nnc([C@H]2CCCO2)[nH]1 |
CCC(=O)N1CCC(N)CC1 |
CCCNCC(=O)OCC |
CCC[C@H]1SC(N)=NC1=O |
O=C(O)c1csc2nc[nH]c(=O)c12 |
NC1CCN(C(=O)C(F)(F)F)CC1 |
CCc1ncc[nH]1 |
COC(=O)C1(c2cnccn2)CC1 |
N[C@@H](CC1CC(F)(F)C1)C(=O)O |
N[C@H](CC1CCCC1)[C@@H](O)C(=O)O |
COC(=O)c1cnsc1 |
O=C1C[C@@H]2CCC(=O)[C@@H]2O1 |
Cn1cncc1C(=O)NC(C)(C)CF |
C[C@H]1CC[C@@H](N2CCC(=O)CC2)CN1 |
COC[C@@H](N)[C@]1(O)CCC(C)(C)C1 |
O=C(O)[C@H]1CCC2(CCOCC2)NC1 |
COC(=O)CCC(=O)O |
COC(=O)c1ccc(CO)nc1 |
Cc1cc(C(=O)O)nc(N)n1 |
CC(C)OCCOCCOCCO |
O=C1CC2(CCCC2)CC(=O)N1 |
Nc1nnc([C@@H]2CCCCN2)s1 |
CC(=O)NCC[C@H]1CCCCN1 |
Cc1cc(NC(=O)[C@@H]2CCOC2)no1 |
Cc1nn(C)c(C)c1CCO |
COCCN1CCC(N)CC1 |
CCOC(=O)c1ccc(N)nn1 |
CCOC(=O)c1cnc(N)n1C |
O=Cc1cnc(Cl)nc1 |
N[C@@H](CO)c1ccc(F)cc1 |
CC1(N)CC1 |
NCc1c[nH]c(=O)c(Cl)c1 |
COC(=O)[C@@H]1CS[C@@H](C(C)C)N1 |
CCOC(=O)CC(C)=O |
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