smiles stringlengths 4 254 |
|---|
CC[C@H]1CC(=O)NN1C |
CCCN1C[C@@H](C(=O)OC)CC1=O |
CCOC(=O)Cn1nccc1C=O |
NC(=O)c1cc(Cl)ncn1 |
O=C(O)c1nc(Cl)ncc1F |
C=CC(=O)N[C@]1(C)CCO[C@@H]1C |
COC1(OC)CC(C)(CO)C1 |
COCc1cc(C=O)on1 |
COc1nccc2c(O)nc(O)nc12 |
C=CC(=O)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@@H]2C1 |
COC[C@H](N)[C@@]1(O)CCC(C)(C)C1 |
CSc1nc(C)nc(N)n1 |
O=C(O)c1c(O)cc(O)cc1O |
CCN(CC)C[C@@H](C)O |
O=C(O)CCCCC(=O)O |
CCSC1=C(Cl)C(=O)NC1=O |
CNC(=O)c1ccc2c(c1)OCCO2 |
CCOC(=O)c1cc(N)[nH]n1 |
CN1CCC(NC(=O)C2CCC2)CC1 |
O=S1(=O)C[C@H]2C=CC=C[C@H]2C1 |
Oc1nnc(C2CCNCC2)o1 |
CN(C)CCCN(C)[C@@H]1CCCNC1 |
CCC(N)(CC)C(=O)OC |
Cn1nc(Cl)cc1N |
C[C@@H]1CNC[C@@H]1F |
CCOC(=O)/C=C(\N)CC |
CN[C@H](CC(F)(F)F)C(=O)O |
OCCN1CC[C@@H](CF)C1 |
CC[C@H](C(=O)O)n1ncnc1Cl |
CC1(C)CC(=O)N(CC(=O)O)O1 |
C[C@H]1CC[C@@H](C)N[C@@H]1C(=O)O |
N[C@@H](c1ccsc1)[C@]1(O)CCOC1 |
N[C@@H]1CCOCCC1(F)F |
NCc1ccc(O)cc1 |
C[C@H]([C@H](N)C(=O)O)C(F)(F)F |
CN1CC=CCC1 |
N[C@@H](Cc1cscn1)C(=O)O |
O=C1CCC(=O)CC1 |
O=C(O)[C@@H]1CCC=CN1 |
Nc1ncnc2[nH]ccc12 |
O=C(O)CCCCCP(=O)(O)O |
CC(C)CN1CCN[C@@H](C)C1=O |
COC(=O)C12CC(C(=O)OC)(C1)C2 |
OCC12CCC(CC1)CN2 |
CCOC(=O)CS(=O)(=O)C(C)C |
C[C@@H]1CC(=O)C[C@@H](C)N1 |
OC[C@H](O)CCC1(O)CCCC1 |
c1ccc(C[C@@H]2CNCCN2)cc1 |
NC(=O)[C@H]1NCc2ccccc21 |
COc1c(C(=O)O)cc[nH]c1=O |
COC[C@]1(C(=O)O)CCCNC1 |
CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O |
Cn1ncc(C2CC2)c1CN |
O[C@@H]1CCN[C@@]12CCSC2 |
N[C@@H](C1CC1)[C@@]1(O)CCCOCC1 |
COC(=O)c1ccoc1CNN |
CC(=O)NCC[N@@]1NC12CCCC2 |
C[C@](CN)(CC(=O)O)C(F)(F)F |
CN(C)n1cccc1 |
N=C(N)Cc1ccccn1 |
Clc1cccn2nnnc12 |
COCC(C)(C)O |
O=Cc1ncco1 |
O=C(O)COc1ccc2c(c1)OCO2 |
CC(=O)c1c(C)nn(CC(=O)O)c1C |
NCCC[C@@H](N)c1ccccn1 |
COC(=O)C(=O)C(C)C |
O=c1c[n+](-c2ccccc2)[nH]o1 |
c1ncc2c(n1)CCNC2 |
C[C@](N)(C(=O)O)c1ccco1 |
COCCSCC(=O)OC |
CCc1nc[nH]c(=O)c1Cl |
CCOC(=O)[C@H](F)C(=O)CC |
CCOC(=O)C(=O)[C@H]1CCCC1=O |
CC(=O)N[C@H]1C(=O)Nc2ccccc21 |
O[C@@H]1C[C@H]2CCCCN2C1 |
FC(F)[C@@]1(F)CCNC1 |
CC(=O)N[C@@H]1CCn2ccnc2C1 |
COC(=O)c1cccc2c(N)n[nH]c12 |
CCOc1nccnc1NN |
NC12CCC(CO)(CC1)C2 |
O[C@H]1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2[C@H]1O |
CN1CC[C@@H](N2CCC=C(F)C2)C1=O |
CNC1CCS(=N)(=O)CC1 |
CC(C)C1(C(=O)NC2CC2)COC1 |
O=C(O)c1c(O)cccc1O |
CC(C)CC(=O)C(=O)O |
COCCC[C@H](C)O |
NCc1ccc2c(n1)NCCC2 |
O=c1cc[nH]cc1F |
CC[C@@H]1CNCCO1 |
COc1ccncc1C(=O)O |
COCCOC1CCNCC1 |
OCc1cnc(C(F)(F)F)nc1 |
CCc1c(C)cc(C(=O)O)c(=O)n1C |
OCc1nc(-c2cccnc2)no1 |
COC(=O)[C@@H](N)C1CCSCC1 |
COc1ccc(N)nc1OC |
NC1CN(Cc2ccccc2)C1 |
CCc1nc(N)no1 |
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