smiles
stringlengths 5
260
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|---|
CC(C)c1nnc(s1)NC(=O)c2cnccn2 |
C1CCC(CC1)NC(=O)CSCC(=O)[O-] |
C1CCc2c(c(no2)C(=O)N3CCCC3)C1 |
C1CCc2c(c(no2)C(=O)N3CCOCC3)C1 |
c1cc(cc(c1)F)NS(=O)(=O)c2cnc[nH]2 |
Cc1ccccc1NS(=O)(=O)c2cnc[nH]2 |
CCN(CC)C(=O)COc1ccc(cc1)OC |
C[C@@H](C(=O)NC[C@H]1CCCO1)Oc2ccccc2 |
C[C@H](C(=O)NC[C@H]1CCCO1)Oc2ccccc2 |
C[C@@H](C(=O)NC[C@@H]1CCCO1)Oc2ccccc2 |
C[C@H](C(=O)NC[C@@H]1CCCO1)Oc2ccccc2 |
Cc1c(non1)NC(=O)c2ccccc2 |
CCN(CC)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] |
c1cc(ccc1NC(=O)Cn2cncn2)Cl |
Cc1cc(cc(c1)C(=O)NCC[NH+](C)C)C |
CN(C)C(=O)c1cc(c(cc1OC)OC)OC |
c1nncn1NC(=O)CCC2CCCC2 |
CC[C@@H](CO)Nc1nc2ccccc2n1C |
CC[C@H](CO)Nc1nc2ccccc2n1C |
CC[C@@H](CO)Nc1[nH]c2ccccc2n1 |
CC[C@H](CO)Nc1[nH]c2ccccc2n1 |
c1ccc(c(c1)C(=O)NC2=[NH+]CCS2)F |
Cc1ccc(c(c1)C(=O)Nn2cnnc2)C |
CC1(C[C@H](CCO1)C(=O)N2CCOCC2)C |
CC1(C[C@@H](CCO1)C(=O)N2CCOCC2)C |
c1ccnc(c1)NC(=O)NCC(F)(F)F |
C[C@H]1CCCCN1C(=O)N[C@@H](C)C(=O)[O-] |
c1cc(ccc1CNC(=O)c2ccc(=O)[nH]n2)F |
CCc1cccc(c1)NC(=O)N[C@@H](C)C(=O)[O-] |
c1cc(cc(c1)NC(=O)[C@H]2CCC(=O)O2)C(=O)[O-] |
C[C@@H]1CCCCN1C(=O)c2ccc(=O)[nH]n2 |
COc1cccc(c1)NC(=O)c2ccc(=O)[nH]n2 |
CC[C@H]1CCCCN1C(=O)c2ccc(=O)[nH]n2 |
CC[C@@H]1CCCCN1C(=O)c2ccc(=O)[nH]n2 |
Cc1ccccc1NC(=O)N[C@@H](C)C(=O)[O-] |
C[C@@H]1CCC[C@@H](N1C(=O)c2ccc(=O)[nH]n2)C |
C[C@@H]1CCC[C@H](N1C(=O)c2ccc(=O)[nH]n2)C |
C[C@H]1CCC[C@@H](N1C(=O)c2ccc(=O)[nH]n2)C |
c1coc2c1[C@H](CCC2)NC(=O)CCC(=O)[O-] |
c1coc2c1[C@@H](CCC2)NC(=O)CCC(=O)[O-] |
C[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C(=O)[O-] |
C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C(=O)[O-] |
C[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C(=O)[O-] |
C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C(=O)[O-] |
C[C@@H](C(=O)[O-])NC(=O)N(C)Cc1ccccc1 |
CCc1ccccc1NC(=O)c2ccc(=O)[nH]n2 |
CC1CCC(CC1)NC(=O)N[C@@H](C)C(=O)[O-] |
CC1CCN(CC1)C(=O)c2ccc(=O)[nH]n2 |
COc1ccccc1NC(=O)c2ccc(=O)[nH]n2 |
C[C@H]1CCCCN1C(=O)N[C@@H](C(C)C)C(=O)[O-] |
c1cc(=O)[nH]nc1C(=O)NC2CCCCCCC2 |
c1cc(=O)[nH]nc1C(=O)N2CCCCCC2 |
C[C@@H]1C[C@@H](CN(C1)C(=O)c2ccc(=O)[nH]n2)C |
C[C@@H]1C[C@H](CN(C1)C(=O)c2ccc(=O)[nH]n2)C |
C[C@H]1C[C@@H](CN(C1)C(=O)c2ccc(=O)[nH]n2)C |
C[C@H]1CCCCN1C(=O)N[C@@H](C)C(=O)OC |
c1cc(sc1)C(=O)N[C@H]2C[NH+]3CCC2CC3 |
c1cc(oc1)C(=O)N[C@H]2C[NH+]3CCC2CC3 |
CCC(=O)Nc1cccc(c1)C(=O)OCC(=O)C |
CC(=O)COC(=O)c1ccc(cc1)OC |
CC(=O)COC(=O)c1ccc(cc1)NC(=O)C |
CC(=O)COC(=O)c1cc2ccccc2oc1=O |
CC(=O)COC(=O)c1ccc(cc1)N(C)C |
CCC(=O)Nc1ncc(s1)CC(=O)OCC |
c1ccc(c(c1)CO)OCC(=O)N2CCCCC2 |
CCNC(=O)COc1ccc(cc1C)C |
Cc1cccc(c1C)OCC(=O)N(C)C |
Cc1ccc(c(c1)C)OCC(=O)Nn2cnnc2 |
c1ccc(cc1)SCC(=O)Nn2cnnc2 |
Cc1ccc(cc1)OCC(=O)NC[C@H]2CCCO2 |
Cc1ccc(cc1)OCC(=O)NC[C@@H]2CCCO2 |
CCCC(=O)OC[C@@H]1COC(O1)(C)C |
CC(=O)Nc1ccccc1S(=O)(=O)C(F)F |
c1ccnc(c1)C(=O)Nc2nccs2 |
c1ccc2c(c1)[nH]c(n2)NC(=O)CCCC(=O)[O-] |
c1ccc(cc1)c2cc(ncn2)N3CCOCC3 |
Cc1cc(n2c(n1)c(cn2)C(=O)NC(C)C)C |
CC1(CCCCC1)C(=O)N2CCOCC2 |
C[C@H]1CCCC[C@H]1NC(=O)CCC(=O)[O-] |
C[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)[O-] |
C[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)[O-] |
C[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)[O-] |
CC(C)(C)CNS(=O)(=O)c1ccc(cc1)N |
CCN(CC)C(=O)CSc1nnc(s1)C |
CCOC(=O)[C@@H](C)Sc1nnc(s1)C |
CCOC(=O)[C@H](C)Sc1nnc(s1)C |
c1cnc(cn1)C(=O)Nc2nccs2 |
CCC(=O)Oc1ccc(cc1)NC(=O)C |
c1cc(c(nc1)Cl)NC(=O)CCC(=O)[O-] |
COc1cc(ccc1OC(=O)OC)C=O |
Cc1cc2c(ncnc2s1)NC[C@@H](C)O |
Cc1cc2c(ncnc2s1)NC[C@H](C)O |
CC(C)NS(=O)(=O)c1cccnc1Cl |
c1csc2n1cc([nH+]2)CNC(=O)C(F)(F)F |
Cn1c(c(cn1)Cl)C(=O)N2CCCC2 |
c1cc(sc1/C=C(/C#N)\C(=O)N)Cl |
Cc1c(cnn1C)C(=O)N2CCc3c2cccc3 |
Cc1csc(n1)NC(=O)C(F)(F)F |
CC[C@@H](CO)NC(=O)c1ccccc1OC |
CC[C@H](CO)NC(=O)c1ccccc1OC |