SMILES
stringlengths 5
260
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|---|
CC(=O)OCCNC(=O)c1ccc(cc1)Cl |
Cc1cc(n(n1)c2nc(cc(n2)OC)C)C |
C1CCN(CC1)C(=O)C(C(F)F)(F)F |
CC(C)CC(=O)Nc1ccc(cc1)C(=O)N |
CC(=O)Nc1nc(cs1)C2CCOCC2 |
Cc1cc(no1)NC(=O)c2cccnc2 |
Cc1nc(on1)COc2ccccc2OC |
CC(C)CNC(=O)C(C(F)F)(F)F |
C1CCC(CC1)NC(=S)NCCCO |
CCCCNC(=O)C(C(F)F)(F)F |
CC(C)(C)NC(=O)C(C(F)F)(F)F |
C[NH+](C)NC(=S)NC1CCCCC1 |
COCCN(CCOC)C(=O)c1ccccc1 |
c1ccc(c(c1)C(=O)Nc2ncccn2)F |
COC(=O)CCCNC(=O)Nc1ccccc1 |
CCCCNC(=O)CCCCCNC(=O)N |
c1cc(nn2c1nnc2)N3CCCCC3 |
c1cn(=O)ccc1C(=O)N2CCCCCC2 |
c1ccnc(c1)c2csc(n2)[NH+]=C(N)N |
c1ccnc(c1)c2csc(n2)[NH+]=C(N)N |
CC(C)(C)NC(=O)c1ccc(s1)C(=O)[O-] |
CC(C)[C@@H](C(=O)OC)NC(=O)c1ccco1 |
CC(C)[C@H](C(=O)OC)NC(=O)c1ccco1 |
c1csc(n1)NC(=O)N2CCOCC2 |
c1ccnc(c1)NC(=O)C[NH+]2CCCCC2 |
Cc1ccccc1NC(=O)c2ccn(=O)cc2 |
CCN(CC)c1ccc(cc1)C(=O)NCCO |
C[C@H]1Cc2ccccc2N1S(=O)(=O)N(C)C |
C[C@@H]1Cc2ccccc2N1S(=O)(=O)N(C)C |
C[C@@]1(CC1(Cl)Cl)Cn2c(c[nH]c2=O)[O-] |
c1ccc(c(c1)C(=O)OCC(=O)NC2CC2)F |
Cc1cnc(cn1)C(=O)OCC(=O)C(C)(C)C |
Cn1c(nnn1)SCC(=O)c2cccs2 |
Cc1ccc(cc1)n2c(nnn2)SCC(=O)C |
c1ccn(=O)c(c1)SCC(=O)N2CCCC2 |
c1cc(sc1)C(=O)OCC(=O)N2CCCC2 |
Cc1ccc(c(c1)C(=O)N[C@@H](C)C[NH3+])C |
Cc1ccc(c(c1)C(=O)N[C@H](C)C[NH3+])C |
c1cc(c(c(c1)Cl)C(=O)OCC(=O)N)F |
c1ccc(cc1)C(=O)OCC(=O)NC2CCCC2 |
c1ccc(cc1)/C=C/C(=O)O[C@H]2CCOC2=O |
c1ccc(cc1)/C=C/C(=O)O[C@@H]2CCOC2=O |
C1CC1NC(=O)CSC2=NCCS2 |
c1cc(oc1)C(=O)OCC(=O)N2CCCC2 |
C[C@@H]1CCC[C@H](N1C(=O)COC(=O)C2CC2)C |
C[C@H]1CCC[C@@H](N1C(=O)COC(=O)C2CC2)C |
c1ccc(cc1)C(=O)O[C@H]2CCOC2=O |
c1ccc(cc1)C(=O)O[C@@H]2CCOC2=O |
c1cc(sc1)/C=C/C(=O)O[C@H]2CCOC2=O |
c1cc(sc1)/C=C/C(=O)O[C@@H]2CCOC2=O |
Cc1cc(c2ccccc2n1)C(=O)OCC(=O)N |
CCOCC(=O)OCC(=O)c1ccc(cc1)C |
CNC(=O)COC(=O)Cc1ccc(cc1)Cl |
c1cc(sc1)CNC(=O)COC(=O)C2CC2 |
c1ccc(cc1)C(=O)OCC(=O)NC2CC2 |
CN(C)c1ccc(cc1)C(=O)O[C@H]2CCOC2=O |
CN(C)c1ccc(cc1)C(=O)O[C@@H]2CCOC2=O |
c1cc(oc1)/C=C/C(=O)OCC(=O)N2CCCC2 |
c1csc2c1c(ncn2)SCCO |
c1ccc2cc(c(cc2c1)C(=O)OCC(=O)N)O |
c1cc(ccc1C(=O)OCC(=O)N2CCCC2)O |
Cc1ccc(s1)C(=O)O[C@H]2CCOC2=O |
Cc1ccc(s1)C(=O)O[C@@H]2CCOC2=O |
c1cc(sc1)C(=O)O[C@H]2CCOC2=O |
c1cc(sc1)C(=O)O[C@@H]2CCOC2=O |
c1ccc(cc1)COC(=O)C2=COCCO2 |
c1cc(sc1)C(=O)OCC(=O)NC2CC2 |
c1ccc(cc1)C(=O)COC(=O)C2=COCCO2 |
Cn1cnn(c1=S)C[NH+]2CCCCC2 |
c1ccc(cc1)C(=O)OCCN2CCCC2=O |
c1cc(oc1)C(=O)OCCN2CCCC2=O |
C1CC(C1)C(=O)OCCOC(=O)C2CCC2 |
C1CCC(C1)CC(=O)OCCN2CCCC2=O |
c1cc(oc1)/C=C/C(=O)O[C@H]2CCOC2=O |
c1cc(oc1)/C=C/C(=O)O[C@@H]2CCOC2=O |
Cc1cccc(c1O)C(=O)O[C@H]2CCOC2=O |
Cc1cccc(c1O)C(=O)O[C@@H]2CCOC2=O |
Cc1csc(n1)NC(=O)c2ccn(=O)cc2 |
Cc1cnc(cn1)C(=O)Nc2nccs2 |
c1cc(ccc1C(=O)O[C@H]2CCOC2=O)Cl |
c1cc(ccc1C(=O)O[C@@H]2CCOC2=O)Cl |
c1cc(oc1)CSCC(=O)NC2CC2 |
c1cc(c(cc1F)Cl)C(=O)OCC(=O)N |
CN(C)C(=O)COc1c2ccccc2ncn1 |
COC(=O)c1c(cn(n1)c2ccc(cc2)F)O |
CC(C)(C)C(=O)CSc1nncn1C |
Cc1cc(nc(n1)n2c(cc(n2)C)NC(=O)C)C |
c1c(cnc(c1Cl)Cl)C(=O)OCC(=O)N |
c1cc(c(c(c1)Cl)C(=O)OCC(=O)N)Cl |
Cc1ccsc1C(=O)OCC(=O)NC2CC2 |
C[NH+](C)CCNc1c2ccsc2ncn1 |
C[C@@H]1CCC[C@H](N1C(=O)C2=COCCO2)C |
Cc1cc(no1)NC(=O)COC(=O)C2CCC2 |
CNC(=O)COC(=O)c1ccc(cc1)Cl |
CNC(=O)COC(=O)c1ccccc1Cl |
c1cc(c(cc1F)Cl)C(=O)Nc2n[n-]nn2 |
c1cc(c(cc1C(=O)OCC(=O)N)Cl)Cl |
Cc1ccc(s1)C(=O)OCC(=O)NC2CC2 |
C[C@H]1C[C@H]1C(=O)NCc2ccc3c(c2)OCO3 |
C[C@@H]1C[C@H]1C(=O)NCc2ccc3c(c2)OCO3 |
Subsets and Splits