smiles
stringlengths 5
260
|
|---|
CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)c1ccco1 |
Cc1cc(n(n1)C(C)(C)C)NC(=O)NC |
c1cnc(cn1)c2nc(on2)C3CCC3 |
c1cnccc1C(=O)Nc2nncs2 |
c1ccc2c(c1)CC(C2)C(=O)N3CCOCC3 |
c1cc2c(cc1C(=O)N3CCOCC3)CCO2 |
CN(C)C(=O)c1ccc2c(c1)scn2 |
Cc1cc(no1)NC(=O)c2ccc3c(c2)non3 |
Cc1nc2ccc(cc2o1)NC(=O)NC |
CC(C)CNC(=S)NCc1ccco1 |
Cn1ccc(n1)C(=O)Nc2ccccc2 |
Cn1ccc(n1)C(=O)Nc2ccc(cc2)OC |
Cc1ccccc1OC[C@@H](Cn2ccnc2C)O |
Cc1ccccc1OC[C@H](Cn2ccnc2C)O |
Cc1c(sc(n1)NC(=O)C)C(=O)OC |
c1ccc(c(c1)C[NH+]2CCC[C@H](C2)C(=O)N)F |
c1ccc(c(c1)C[NH+]2CCC[C@@H](C2)C(=O)N)F |
Cc1cc(nc(n1)NC(=O)c2cccnc2)C |
CS(=O)(=O)C[C@H]1CC1(Cl)Cl |
CS(=O)(=O)C[C@@H]1CC1(Cl)Cl |
CCS(=O)(=O)C[C@H]1CC1(Cl)Cl |
CCS(=O)(=O)C[C@@H]1CC1(Cl)Cl |
CC(C)NC(=O)Cn1ccc2ccccc2c1=O |
c1ccnc(c1)NC(=O)c2cccc(n2)C(=O)[O-] |
c1ccc2c(c1)[C@H](CC(=O)N2)C(=O)N3CCCC3 |
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCCC3 |
C1CCC(C1)N2C[C@H](CC2=O)C(=O)NC3CC3 |
C1CCC(C1)N2C[C@@H](CC2=O)C(=O)NC3CC3 |
Cc1ccc(cc1)CN2[C@H](CCC2=O)C(=O)NC |
Cc1ccc(cc1)CN2[C@@H](CCC2=O)C(=O)NC |
c1ccc2c(c1)C(=O)N(C2=O)CC3CC3 |
CC(C)NS(=O)(=O)NC1CCCCC1 |
c1ccc(c(c1)C(=O)N)NC(=O)c2ccccn2 |
COc1cccc(c1)OCCn2cncn2 |
C[C@H]1c2ccccc2CCN1C(=O)C[NH2+]C |
C[C@@H]1c2ccccc2CCN1C(=O)C[NH2+]C |
CC(C)[C@@H](C(=O)NCCc1ccccc1)[NH3+] |
CC(C)[C@H](C(=O)NCCc1ccccc1)[NH3+] |
CC(C)(C)NC(=O)NCCc1ccccn1 |
CCNC(=O)c1c(c([nH]c1C)C(=O)OCC)C |
Cc1c(cco1)C(=O)NC2=[NH+]CCS2 |
c1ccc(c(c1)NC(=O)CNC(=O)C2CC2)F |
CC(C)C(=O)NCC(=O)Nc1ccc(cc1)F |
CCC(=O)NCC(=O)Nc1cccc(c1)F |
COc1ccc(cc1)NC(=O)[C@H]2CCCNC2=O |
COc1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O |
Cc1c(sc(n1)NC(=O)C[NH2+]CC2CC2)C |
CC(=O)N(Cc1ccco1)C[C@H]2CCCO2 |
CC(=O)N(Cc1ccco1)C[C@@H]2CCCO2 |
COc1cccc(c1OC)/C=C(\C#N)/C(=O)OC |
CC1(CCOCC1)NC(=O)c2ccccc2 |
c1cc(sc1)C(=O)NCC(=O)N2CCCC2 |
CC(C)CNC(=O)COc1cccc(c1)OC |
C[C@H](C(=O)[O-])NC(=O)c1cc2ccccc2o1 |
Cc1ccc(cc1)c2cc(on2)C(=O)N |
CCS(=O)(=O)CCNc1ccccc1 |
c1ccnc(c1)NS(=O)(=O)c2cccs2 |
Cc1cc(c(c(c1)C)NC(=O)[C@H]2CCC(=O)N2)C |
Cc1cc(c(c(c1)C)NC(=O)[C@@H]2CCC(=O)N2)C |
CC[C@@H](CO)NC(=O)c1cccc(c1)Cl |
CC[C@H](CO)NC(=O)c1cccc(c1)Cl |
c1cnc(nc1)NC(=O)c2ccc(cc2)F |
Cn1ccc(n1)C(=O)Nc2cccnc2 |
Cc1cccc(c1)c2nc(no2)CC(=O)[O-] |
Cc1csc(n1)NC(=O)C[NH2+]CC(C)C |
Cc1csc(n1)NC(=O)C[NH2+]C2CC2 |
Cc1c(sc(n1)NC(=O)C[NH2+]C2CC2)C |
CC(C)(C)[NH2+]CC(=O)Nc1nccs1 |
Cc1c(nc(nc1N2CCC[NH2+]CC2)C)C |
CCOc1ccc(cc1Cl)C[NH+]=C(N)N |
CCOc1ccc(cc1Cl)C[NH+]=C(N)N |
Cn1c2ccccc2nc1NC(=O)C(F)F |
CCOC(=O)CCCn1c2ccccc2oc1=O |
c1cc(ncc1Cl)NC(=O)C(F)F |
c1ccc2c(c1)cc(o2)C(=O)Nn3cnnc3 |
Cc1ccc(c(c1)NS(=O)(=O)C)O |
Cc1ccc(c(c1)O)NS(=O)(=O)C |
c1ccc(c(c1)NC(=O)c2csnn2)O |
Cc1ccccc1N2CCN(CC2)C(=O)N |
Cc1ccc(cc1)CNC(=O)N2CC[NH+](CC2)C |
Cc1cccc(c1)NC(=O)N2CC[NH+](CC2)C |
CC[C@@H](C)NC(=O)c1c(nc(s1)N)C |
CC[C@H](C)NC(=O)c1c(nc(s1)N)C |
c1cscc1C[NH2+][C@H](CCC(=O)[O-])C(=O)[O-] |
c1cc2c(c(c1)Cl)c(c[nH]2)CC(=O)N |
C[C@H]1C[NH+](CCN1C(=O)C)Cc2ccccc2 |
C[C@@H]1C[NH+](CCN1C(=O)C)Cc2ccccc2 |
c1ccc2c(c1)nc(o2)C[NH+]3CCOCC3 |
CC(C)(C)C(=O)CNC(=O)c1ccco1 |
c1ccnc(c1)NC(=O)c2cnccn2 |
Cc1cnc(cn1)C(=O)Nc2nnc(s2)C |
c1cc(cc(c1)O)NC(=O)c2cnccn2 |
c1cc(ccc1NC(=O)c2cnccn2)O |
CC(C)(C)C(=O)CNC(=O)c1cccnc1 |
c1cc(ncc1C(=O)NC[C@H]2CCCO2)Cl |
c1cc(ncc1C(=O)NC[C@@H]2CCCO2)Cl |
CC(=O)c1cc2c(cc1NC(=O)C3CC3)OCO2 |
C1CCN(CC1)C(=O)CSC2=NCCS2 |
c1cc2c(cc1CCNC(=O)C3CC3)OCO2 |
CC(C)C(=O)NCCc1ccc2c(c1)OCO2 |