molecule_smiles
stringlengths 2
3.43k
| SELFIES
stringlengths 5
9.02k
|
|---|---|
CC.CC.CC.CC.CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=C3CCC3)OCCCCOC.CCC1CCC1.CC/C(=C(/C1=CC=C(C=C1)C2=CC=C(C=C2)C)\OCCCCOC)/C | [C][C].[C][C].[C][C].[C][C].[C][C][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#Branch1][=C][C][C][C][Ring1][Ring2][O][C][C][C][C][O][C].[C][C][C][C][C][C][Ring1][Ring2].[C][C][/C][=Branch2][Ring1][P][=C][Branch2][Ring1][=Branch1][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][\O][C][C][C][C][O][C][/C] |
CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=C3CCC3)OCCCCOC | [C][C][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#Branch1][=C][C][C][C][Ring1][Ring2][O][C][C][C][C][O][C] |
CC/C(=C(/C1=CC=C(C=C1)C2=CC=C(C=C2)C)\OCCCCOC)/C | [C][C][/C][=Branch2][Ring1][P][=C][Branch2][Ring1][=Branch1][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][\O][C][C][C][C][O][C][/C] |
CC.CCC1CCC(CC1)C(=O)C2CCCC2CCCC(=O)C | [C][C].[C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][C] |
CCC1CCC(CC1)C(=O)C2CCCC2CCCC(=O)C | [C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][C] |
C1=CC=C(C=C1)POC2=CC=C(C=C2)C=O | [C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=O] |
CC1=CC=C(C=C1)OCCCCCCCCOC(=O)C(=C)C.CC(COC)N(C)C.COC1=C(C=CC(=C1)/C=C/C=O)OC=O | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C].[C][C][Branch1][Ring2][C][O][C][N][Branch1][C][C][C].[C][O][C][=C][Branch1][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=C][/C][=O][O][C][=O] |
COC1=C(C=CC(=C1)/C=C/C=O)OC=O | [C][O][C][=C][Branch1][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=C][/C][=O][O][C][=O] |
CC.CC.CC.CCCCCCC1CCC(CC1)CC.CCCCCC1CCC(CC1)CC.CCC1CCC(CC1)CC | [C][C].[C][C].[C][C].[C][C][C][C][C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C].[C][C][C][C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C].[C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C] |
CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)S.CCO | [C][C][C][C][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S].[C][C][O] |
CCCCCCCOC1=C(C=C(C=C1)C(O)OC)Cl | [C][C][C][C][C][C][C][O][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][O][O][C][Cl] |
CC.CC1=C(C(=C(C(=C1O)CO)C=O)O)C | [C][C].[C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][#C][=C][Branch1][#Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][O][C][=O][O][C] |
CC1=C(C(=C(C(=C1O)CO)C=O)O)C | [C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][#C][=C][Branch1][#Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][O][C][=O][O][C] |
CC.CCC/C(=C\C=C)/O | [C][C].[C][C][C][/C][=Branch1][Ring2][=C][\C][=C][/O] |
CC.CC.C/C=C\C(=C/C=C)\C(C1=CCCC=C1)(C(F)(F)F)C(F)(F)F | [C][C].[C][C].[C][/C][=C][\C][=Branch1][Ring2][=C][/C][=C][\C][Branch1][=Branch2][C][=C][C][C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] |
C/C=C\C(=C/C=C)\C(C1=CCCC=C1)(C(F)(F)F)C(F)(F)F | [C][/C][=C][\C][=Branch1][Ring2][=C][/C][=C][\C][Branch1][=Branch2][C][=C][C][C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] |
CC.CC.C/C=C\C(=C/C=C)\CC1=CCCC=C1 | [C][C].[C][C].[C][/C][=C][\C][=Branch1][Ring2][=C][/C][=C][\C][C][=C][C][C][C][=C][Ring1][=Branch1] |
C/C=C\C(=C/C=C)\CC1=CCCC=C1 | [C][/C][=C][\C][=Branch1][Ring2][=C][/C][=C][\C][C][=C][C][C][C][=C][Ring1][=Branch1] |
CCCC.CCC=C(C)C1CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)O | [C][C][C][C].[C][C][C][=C][Branch1][C][C][C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
CCC=C(C)C1CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)O | [C][C][C][=C][Branch1][C][C][C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
CC.C/C=C\C=C(/C=C\C)\SC1=CCCC=C1 | [C][C].[C][/C][=C][\C][=C][Branch1][Ring2][/C][=C][\C][\S][C][=C][C][C][C][=C][Ring1][=Branch1] |
C/C=C\C=C(/C=C\C)\SC1=CCCC=C1 | [C][/C][=C][\C][=C][Branch1][Ring2][/C][=C][\C][\S][C][=C][C][C][C][=C][Ring1][=Branch1] |
CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)O | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
CC.C/C=C\C=C(/C=C\C)\OC1=CCCC=C1 | [C][C].[C][/C][=C][\C][=C][Branch1][Ring2][/C][=C][\C][\O][C][=C][C][C][C][=C][Ring1][=Branch1] |
C/C=C\C=C(/C=C\C)\OC1=CCCC=C1 | [C][/C][=C][\C][=C][Branch1][Ring2][/C][=C][\C][\O][C][=C][C][C][C][=C][Ring1][=Branch1] |
CC.CC.C/C=C\C(=C/C)\C1(C2=CC=CC=C2C(=O)N1)/C(=C/C)/C=C\C=C | [C][C].[C][C].[C][/C][=C][\C][=Branch1][Ring1][=C][/C][\C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][/C][=Branch1][Ring1][=C][/C][/C][=C][\C][=C] |
CC.CC.CC1CC=CC(=C1)C(=O)C2=CCCC=C2 | [C][C].[C][C].[C][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][C][C][=C][Ring1][=Branch1] |
CC1CC=CC(=C1)C(=O)C2=CCCC=C2 | [C][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][C][C][=C][Ring1][=Branch1] |
C/C=C\C=C(/C=C)\S(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O | [C][/C][=C][\C][=C][Branch1][Ring1][/C][=C][\S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)C3=CC=C(C=C3)OC4=CC=CC=C4.O | [C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[O] |
CCCC.C/C=C(/C)\C1CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)O | [C][C][C][C].[C][/C][=C][Branch1][C][/C][\C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
C/C=C(/C)\C1CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)O | [C][/C][=C][Branch1][C][/C][\C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
CC.C/C=C\C(=C/C=C)\SC1=CC=C(CC=C1)C | [C][C].[C][/C][=C][\C][=Branch1][Ring2][=C][/C][=C][\S][C][=C][C][=C][Branch1][=Branch1][C][C][=C][Ring1][#Branch1][C] |
C/C=C\C(=C/C=C)\SC1=CC=C(CC=C1)C | [C][/C][=C][\C][=Branch1][Ring2][=C][/C][=C][\S][C][=C][C][=C][Branch1][=Branch1][C][C][=C][Ring1][#Branch1][C] |
CC.CCCC.C/C=C(/C)\C1CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)O | [C][C].[C][C][C][C].[C][/C][=C][Branch1][C][/C][\C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
CCCC.CCC=CC(C)(C)C1CC=C(C=C1S(=O)(=O)O)SC2=CC(=C(C=C2)OC3=C(C=C(C=C3)SC4=CC(=C(C=C4)OC5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | [C][C][C][C].[C][C][C][=C][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][S][C][=C][C][=Branch2][=Branch1][=C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][Branch2][Branch1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][C][=C][C][=Branch2][Ring2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][O][S][=Branch1][C][=O][=Branch1][C][=O][O][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CCC=CC(C)(C)C1CC=C(C=C1S(=O)(=O)O)SC2=CC(=C(C=C2)OC3=C(C=C(C=C3)SC4=CC(=C(C=C4)OC5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | [C][C][C][=C][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][S][C][=C][C][=Branch2][=Branch1][=C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][Branch2][Branch1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][C][=C][C][=Branch2][Ring2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][O][S][=Branch1][C][=O][=Branch1][C][=O][O][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CC(C)(C=C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O | [C][C][Branch1][C][C][Branch1][Ring1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
CCC(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C(C)(CC5CC5)N | [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N] |
CC.C/C=C\C=C(\CC1=CCCC=C1)/C=C\C | [C][C].[C][/C][=C][\C][=C][Branch1][#Branch2][\C][C][=C][C][C][C][=C][Ring1][=Branch1][/C][=C][\C] |
C/C=C\C=C(\CC1=CCCC=C1)/C=C\C | [C][/C][=C][\C][=C][Branch1][#Branch2][\C][C][=C][C][C][C][=C][Ring1][=Branch1][/C][=C][\C] |
CCCC.C/C=C(/C)\C1CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)O | [C][C][C][C].[C][/C][=C][Branch1][C][/C][\C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
C/C=C(/C)\C1CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)O | [C][/C][=C][Branch1][C][/C][\C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O] |
CC1=CC=C(C=C1)S(=O)P(C)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OC | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][P][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C] |
CC.C[C@@H]1CC=CC(=CC1)C | [C][C].[C][C@@H1][C][C][=C][C][=Branch1][Branch1][=C][C][Ring1][#Branch1][C] |
C[C@@H]1CC=CC(=CC1)C | [C][C@@H1][C][C][=C][C][=Branch1][Branch1][=C][C][Ring1][#Branch1][C] |
CC.CC.C1CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 | [C][C].[C][C].[C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C1CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 | [C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC.CC.C=C/C=C\C(=C/C=C)\C1(OS(=O)C2=CC=CC=C12)/C(=C/C=C)/C=C\C=C | [C][C].[C][C].[C][=C][/C][=C][\C][=Branch1][Ring2][=C][/C][=C][\C][Branch1][S][O][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][/C][=Branch1][Ring2][=C][/C][=C][/C][=C][\C][=C] |
C=C/C=C\C(=C/C=C)\C1(OS(=O)C2=CC=CC=C12)/C(=C/C=C)/C=C\C=C | [C][=C][/C][=C][\C][=Branch1][Ring2][=C][/C][=C][\C][Branch1][S][O][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][/C][=Branch1][Ring2][=C][/C][=C][/C][=C][\C][=C] |
CC.CC.CC1C=CC(=CC1C)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5 | [C][C].[C][C].[C][C][C][=C][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC1C=CC(=CC1C)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5 | [C][C][C][=C][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC.CC.CCCCOC1=CC=C(C2=CC=CC=C21)[S+]3CCCC3 | [C][C].[C][C].[C][C][C][C][O][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S+1][C][C][C][C][Ring1][Branch1] |
CCC(CC)(CC)OC=O.CC(CC(C)(C)C)C(C)(C)C | [C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][O][C][=O].[C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C] |
CC1(C2CCC1(C(C2)O)CS(=O)O/N=C(/C3=CC=C(C=C3)OCCCOC4=CC=C(C=C4)/C(=N/OS(C)(C(F)(F)F)O)/CC56CCC(C5(C)C)CC6=O)\C(F)(F)F)C | [C][C][Branch2][Branch2][Ring2][C][C][C][C][Ring1][Branch1][Branch1][Branch2][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][S][=Branch1][C][=O][O][/N][=C][Branch2][=Branch1][C][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][/C][=Branch2][Ring1][C][=N][/O][S][Branch1][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][/C][C][C][C][C][Branch1][Branch2][C][Ring1][Branch1][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][\C][Branch1][C][F][Branch1][C][F][F][C] |
CC(=C)OC1(CCCC1)C | [C][C][=Branch1][C][=C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C] |
CCCCOCCN(CCOCCO)CCOCCO | [C][C][C][C][O][C][C][N][Branch1][#Branch1][C][C][O][C][C][O][C][C][O][C][C][O] |
CCC1(CCCC1)ON(C)C(CC(C)(C)C)C=O | [C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][N][Branch1][C][C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=O] |
CC1=C([S+](C=C1)C2=CC=CC=C2)/C=C\C=C | [C][C][=C][Branch1][S][S+1][Branch1][Branch1][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][\C][=C] |
CS(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=C(C=C4)[S+](C5=CC=CC=C5)C6=CC=CC=C6 | [C][S][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)CC(C(=O)OC1CCOC1=O)C(C)(C)C | [C][C][Branch1][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][O][C][Ring1][Branch1][=O][C][Branch1][C][C][Branch1][C][C][C] |
CCC(C)(C1=CC=CC=C1)[SH2+] | [C][C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][SH2+1] |
CC.CCC1(CCCCC1)OC.CC(C)(C)C(C)(C=O)P | [C][C].[C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C].[C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][Ring1][C][=O][P] |
CC(C)(C)C(C)(C=O)P | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][Ring1][C][=O][P] |
CC(C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CS)C1(CO1)N[C@@H](COS(=O)(=O)OC)C(=O)O)NC(=O)OC(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Branch2][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][Branch1][Branch1][C][O][Ring1][Ring1][N][C@@H1][Branch1][N][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
C[C@@H](C(=O)N[C@@H](COS(=O)(=O)O)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N | [C][C@@H1][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N] |
CC(C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](COS(=O)(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](COS(=O)(=O)[O-])NC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch2][=Branch2][=Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch2][=Branch1][N][C][S][S][C][C@@H1][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC(C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](COP(=O)(O)[O-])C(=O)O)NC(=O)OC(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O-1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC=O.CO.COC.C(CC(=O)NCC(=O)NC(CS)C(=O)O)C(C=O)N | [C][C][=O].[C][O].[C][O][C].[C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][=O][N] |
C(CC(=O)NCC(=O)NC(CS)C(=O)O)C(C=O)N | [C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][=O][N] |
C(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O)N)C(=O)O)CC(=O)O | [C][Branch2][Branch1][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][#Branch1][C][S][S][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O] |
CC.CCCC(C=O)NC(=O)OC(C)(C)C.CC(C)(C)OC.CC(C)(C)OC.COC(=O)CNC=O | [C][C].[C][C][C][C][Branch1][Ring1][C][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C].[C][C][Branch1][C][C][Branch1][C][C][O][C].[C][C][Branch1][C][C][Branch1][C][C][O][C].[C][O][C][=Branch1][C][=O][C][N][C][=O] |
CCCC(C(=O)O)N.CO.C(C(C(=O)O)NC(=O)CNC=O)S | [C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N].[C][O].[C][Branch2][Ring1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=O][S] |
C(C(C(=O)O)NC(=O)CNC=O)S | [C][Branch2][Ring1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=O][S] |
CCCC(C=O)NC(=O)OC(C)(C)C.CC(C)(C)OC.COS(=O)OC.C(C(=O)O)NC=O | [C][C][C][C][Branch1][Ring1][C][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C].[C][C][Branch1][C][C][Branch1][C][C][O][C].[C][O][S][=Branch1][C][=O][O][C].[C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=O] |
CC.CC(COP(=O)(O)O)NC(=O)CNC(=O)CCC(C=O)N.CO.C(=O)O | [C][C].[C][C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][=O][N].[C][O].[C][=Branch1][C][=O][O] |
CC(COP(=O)(O)O)NC(=O)CNC(=O)CCC(C=O)N | [C][C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][=O][N] |
CC.CCCC(C(=O)O)N.C(C(C(=O)O)NC(=O)CNC=O)S | [C][C].[C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N].[C][Branch2][Ring1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=O][S] |
CC.CCCC(C(=O)O)N.CC(CS)NC(=C)CNC=O | [C][C].[C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N].[C][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=C][C][N][C][=O] |
CC(CS)NC(=C)CNC=O | [C][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=C][C][N][C][=O] |
CC(COC(=O)C)NC(=O)CNC(=O)CCC(C=O)N.CO.CS.C(=O)O | [C][C][Branch1][Branch2][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][=O][N].[C][O].[C][S].[C][=Branch1][C][=O][O] |
CC(COC(=O)C)NC(=O)CNC(=O)CCC(C=O)N | [C][C][Branch1][Branch2][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][=O][N] |
CC(C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](COS(=O)(=O)[O-])C(=O)N[C@@H](CS)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][N][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC.CCCC(C(=O)O)N.C(C(C(=O)O)NC(=O)CNC=O)OS(=O)O | [C][C].[C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N].[C][Branch2][Ring1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=O][O][S][=Branch1][C][=O][O] |
C(C(C(=O)O)NC(=O)CNC=O)OS(=O)O | [C][Branch2][Ring1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=O][O][S][=Branch1][C][=O][O] |
CC.CCCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CC(C)(C)OC.C(C(=O)O)NC=O | [C][C].[C][C][C][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C].[C][C][Branch1][C][C][Branch1][C][C][O][C].[C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=O] |
C=CCS(CCCC1=CC=C(C=C1)CBr)(CC=C)CC=C | [C][=C][C][S][Branch1][S][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Br][Branch1][Ring2][C][C][=C][C][C][=C] |
CC.CC.CC1=CC=C(C=C1)S(CC=C)(CC=C)C2=CC=CC=C2 | [C][C].[C][C].[C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][Branch1][Ring2][C][C][=C][Branch1][Ring2][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC1=CC=C(C=C1)S(CC=C)(CC=C)C2=CC=CC=C2 | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][Branch1][Ring2][C][C][=C][Branch1][Ring2][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C=CC[Si-](CCCC1=CC=C(C=C1)COC(=O)Cl)(CC=C)CC=C | [C][=C][C][Si-1][Branch2][Ring1][Branch1][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][Cl][Branch1][Ring2][C][C][=C][C][C][=C] |
C[Si](CCCC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)(CC=C)CC=C | [C][Si][Branch2][Branch1][S][C][C][C][C][=Branch2][Ring2][P][=C][Branch2][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][F][C][Branch1][C][F][Branch1][C][F][F][Branch1][Ring2][C][C][=C][C][C][=C] |
CC.CC(=C)/C(=C/1\C(=C)OCCN1)/Cl | [C][C].[C][C][=Branch1][C][=C][/C][=Branch1][N][=C][\C][=Branch1][C][=C][O][C][C][N][/-Ring1][#Branch1][/Cl] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC4=CC=CC=C43)C(C=O)OC(C)C)C.CO | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][P][C][=Branch2][Ring1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][Ring1][C][=O][O][C][Branch1][C][C][C][C].[C][O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC4=CC=CC=C43)C(C=O)OC(C)C)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][P][C][=Branch2][Ring1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][Ring1][C][=O][O][C][Branch1][C][C][C][C] |
CC1=CC(=CC(=C1)C2=C(C(=C(N(C2=O)C)CC(=O)O)C3=C(C4=C(C=C3)OCCC4)OC(C)(C)C)C)C | [C][C][=C][C][=Branch2][Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][P][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][C] |
CN1C(C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=C(C=C3)OC)CC(=O)O | [C][N][C][Branch2][Ring2][C][C][Branch2][Ring1][C][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][Cl][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][O] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC=CC4=C3N=CC=C4.CC(C)(C)O.CO | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][Ring1][=Branch1].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC=CC4=C3N=CC=C4 | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][Ring1][=Branch1] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCC3)C(C(=O)O)OC(C)(C)C)C)/C=C/C4=CC=CC=C4 | [C][C][=C][Branch2][Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring2][=Branch2][C][=Branch2][Ring1][Ring2][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)(C)O.CN1C(=C(C(=C(C1=O)C(=C)Br)C=C)C2=CC=C(C=C2)Cl)CC=O.CO.C#C | [C][C][Branch1][C][C][Branch1][C][C][O].[C][N][C][=Branch2][Ring1][P][=C][Branch2][Ring1][C][C][=Branch1][=N][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=Branch1][C][=C][Br][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][C][=O].[C][O].[C][#C] |