molecule_smiles
stringlengths 1
1.15k
| SELFIES
stringlengths 3
4.03k
|
|---|---|
CC(C#N)CC(F)(F)F | [C][C][Branch1][Ring1][C][#N][C][C][Branch1][C][F][Branch1][C][F][F] |
O=C(CO)CC(F)(F)F | [O][=C][Branch1][Ring1][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C=O)CC(F)(F)F | [C][C][Branch1][Ring1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F] |
CN(C=O)CC(F)(F)F | [C][N][Branch1][Ring1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(CC=O)C(F)(F)F | [C][C][Branch1][Ring2][C][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CC(NC=O)C(F)(F)F | [C][C][Branch1][Ring2][N][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CC(OC=N)C(F)(F)F | [C][C][Branch1][Ring2][O][C][=N][C][Branch1][C][F][Branch1][C][F][F] |
CC(OC=O)C(F)(F)F | [C][C][Branch1][Ring2][O][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
OC1C(O)C1C(F)(F)F | [O][C][C][Branch1][C][O][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CC1C(C)C1C(F)(F)F | [C][C][C][Branch1][C][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CC1C(C(F)(F)F)N1C | [C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][#Branch1][C] |
CC1C(O)C1C(F)(F)F | [C][C][C][Branch1][C][O][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
OC1CC(C(F)(F)F)C1 | [O][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][Branch2] |
CC1CC(C(F)(F)F)C1 | [C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][Branch2] |
CC1CC(C(F)(F)F)N1 | [C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][Branch2] |
CC1CC(C(F)(F)F)O1 | [C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][Branch2] |
CN1CC(C(F)(F)F)C1 | [C][N][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][Branch2] |
CC1(C(F)(F)F)CC1O | [C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1][O] |
NC1(C(F)(F)F)CC1O | [N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1][O] |
OC1CC1(O)C(F)(F)F | [O][C][C][C][Ring1][Ring1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CC1CC1(C)C(F)(F)F | [C][C][C][C][Ring1][Ring1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CC1CC1(N)C(F)(F)F | [C][C][C][C][Ring1][Ring1][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
CC1CC1(O)C(F)(F)F | [C][C][C][C][Ring1][Ring1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CC1NC1(C)C(F)(F)F | [C][C][N][C][Ring1][Ring1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CC1OC1(C)C(F)(F)F | [C][C][O][C][Ring1][Ring1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CN1CC1(C)C(F)(F)F | [C][N][C][C][Ring1][Ring1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
OC1CC1CC(F)(F)F | [O][C][C][C][Ring1][Ring1][C][C][Branch1][C][F][Branch1][C][F][F] |
CC1CC1CC(F)(F)F | [C][C][C][C][Ring1][Ring1][C][C][Branch1][C][F][Branch1][C][F][F] |
CC1CN1CC(F)(F)F | [C][C][C][N][Ring1][Ring1][C][C][Branch1][C][F][Branch1][C][F][F] |
CC1NC1CC(F)(F)F | [C][C][N][C][Ring1][Ring1][C][C][Branch1][C][F][Branch1][C][F][F] |
CC1OC1CC(F)(F)F | [C][C][O][C][Ring1][Ring1][C][C][Branch1][C][F][Branch1][C][F][F] |
CN1CC1CC(F)(F)F | [C][N][C][C][Ring1][Ring1][C][C][Branch1][C][F][Branch1][C][F][F] |
OC1CCC1C(F)(F)F | [O][C][C][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
OC1CNC1C(F)(F)F | [O][C][C][N][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
OC1COC1C(F)(F)F | [O][C][C][O][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CC1CCC1C(F)(F)F | [C][C][C][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CC1CNC1C(F)(F)F | [C][C][C][N][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CC1COC1C(F)(F)F | [C][C][C][O][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CC1OCC1C(F)(F)F | [C][C][O][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CN1CCC1C(F)(F)F | [C][N][C][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CN=COCC(F)(F)F | [C][N][=C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
OCC#CCC(F)(F)F | [O][C][C][#C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCC#CCC(F)(F)F | [C][C][C][#C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCC(=O)CC(F)(F)F | [C][C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F] |
CNC(=O)CC(F)(F)F | [C][N][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F] |
COC(=O)CC(F)(F)F | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F] |
CN=C(NC)C(F)(F)F | [C][N][=C][Branch1][Ring1][N][C][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(CO)C(F)(F)F | [C][#C][C][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
N#CC(CO)C(F)(F)F | [N][#C][C][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(CC)C(F)(F)F | [C][#C][C][Branch1][Ring1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCC(C#N)C(F)(F)F | [C][C][C][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(NC)C(F)(F)F | [C][#C][C][Branch1][Ring1][N][C][C][Branch1][C][F][Branch1][C][F][F] |
CNC(C#N)C(F)(F)F | [C][N][C][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(OC)C(F)(F)F | [C][#C][C][Branch1][Ring1][O][C][C][Branch1][C][F][Branch1][C][F][F] |
COC(C#N)C(F)(F)F | [C][O][C][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)(CO)C(F)(F)F | [C][C][Branch1][C][C][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CC(N)(CO)C(F)(F)F | [C][C][Branch1][C][N][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CC(O)(CO)C(F)(F)F | [C][C][Branch1][C][O][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CCC(C)(C)C(F)(F)F | [C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCC(C)(N)C(F)(F)F | [C][C][C][Branch1][C][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
CCC(C)(O)C(F)(F)F | [C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CNC(C)(C)C(F)(F)F | [C][N][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
COC(C)(C)C(F)(F)F | [C][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
OCC(O)CC(F)(F)F | [O][C][C][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(CO)CC(F)(F)F | [C][C][Branch1][Ring1][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CCC(C)CC(F)(F)F | [C][C][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCC(O)CC(F)(F)F | [C][C][C][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CCN(C)CC(F)(F)F | [C][C][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
COC(C)CC(F)(F)F | [C][O][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCC(C=O)C(F)(F)F | [C][C][C][Branch1][Ring1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CNC(C=O)C(F)(F)F | [C][N][C][Branch1][Ring1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
COC(C=O)C(F)(F)F | [C][O][C][Branch1][Ring1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
OCC(CO)C(F)(F)F | [O][C][C][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CCC(CC)C(F)(F)F | [C][C][C][Branch1][Ring1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCC(CO)C(F)(F)F | [C][C][C][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CCC(NC)C(F)(F)F | [C][C][C][Branch1][Ring1][N][C][C][Branch1][C][F][Branch1][C][F][F] |
CCC(OC)C(F)(F)F | [C][C][C][Branch1][Ring1][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CNC(CO)C(F)(F)F | [C][N][C][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
COC(CO)C(F)(F)F | [C][O][C][Branch1][Ring1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
OCC1(C(F)(F)F)CC1 | [O][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1] |
OCC1(C(F)(F)F)CN1 | [O][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][#Branch1] |
OCC1(C(F)(F)F)CO1 | [O][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1] |
CCC1(C(F)(F)F)CC1 | [C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1] |
CCC1(C(F)(F)F)CN1 | [C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][#Branch1] |
CCC1(C(F)(F)F)CO1 | [C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1] |
CNC1(C(F)(F)F)CC1 | [C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1] |
COC1(C(F)(F)F)CC1 | [C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1] |
OCC1CC1C(F)(F)F | [O][C][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
OCC1NC1C(F)(F)F | [O][C][C][N][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
OCC1OC1C(F)(F)F | [O][C][C][O][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CCC1CC1C(F)(F)F | [C][C][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CCC1NC1C(F)(F)F | [C][C][C][N][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CCC1OC1C(F)(F)F | [C][C][C][O][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CCN1CC1C(F)(F)F | [C][C][N][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
COC1CC1C(F)(F)F | [C][O][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CCN=C(N)C(F)(F)F | [C][C][N][=C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
COC=NCC(F)(F)F | [C][O][C][=N][C][C][Branch1][C][F][Branch1][C][F][F] |
OCCC#CC(F)(F)F | [O][C][C][C][#C][C][Branch1][C][F][Branch1][C][F][F] |
CCCC#CC(F)(F)F | [C][C][C][C][#C][C][Branch1][C][F][Branch1][C][F][F] |
COCC#CC(F)(F)F | [C][O][C][C][#C][C][Branch1][C][F][Branch1][C][F][F] |