molecule_smiles
stringlengths 1
1.15k
| SELFIES
stringlengths 3
4.03k
|
|---|---|
Cc1coc(=O)c(F)c1 | [C][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][=C][Ring1][Branch2] |
Cc1coc(=O)c(F)n1 | [C][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][=N][Ring1][Branch2] |
Cc1nc(F)coc1=N | [C][C][=N][C][Branch1][C][F][=C][O][C][Ring1][#Branch1][=N] |
Cc1nc(F)coc1=O | [C][C][=N][C][Branch1][C][F][=C][O][C][Ring1][#Branch1][=O] |
N=c1occ(F)cc1N | [N][=C][O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N] |
Nc1cc(F)coc1=O | [N][C][=C][C][Branch1][C][F][=C][O][C][Ring1][#Branch1][=O] |
N=c1occ(N)cc1F | [N][=C][O][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][F] |
N=c1occ(N)nc1F | [N][=C][O][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][F] |
Nc1coc(=O)c(F)c1 | [N][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][=C][Ring1][Branch2] |
Nc1coc(=O)c(F)n1 | [N][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][=N][Ring1][Branch2] |
N=c1occ(F)nc1N | [N][=C][O][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][N] |
Nc1nc(F)coc1=O | [N][C][=N][C][Branch1][C][F][=C][O][C][Ring1][#Branch1][=O] |
N=c1occ(F)cc1O | [N][=C][O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O] |
N=c1occ(F)cc1F | [N][=C][O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
N=c1occ(F)[nH]c1=O | [N][=C][O][C][=C][Branch1][C][F][NH1][C][Ring1][#Branch1][=O] |
N=c1occ(F)nc1F | [N][=C][O][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][F] |
O=c1occ(F)cc1F | [O][=C][O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
O=c1[nH]c(F)coc1=O | [O][=C][NH1][C][Branch1][C][F][=C][O][C][Ring1][#Branch1][=O] |
O=c1occ(F)nc1F | [O][=C][O][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][F] |
Cc1cc(=N)occ1F | [C][C][=C][C][=Branch1][C][=N][O][C][=C][Ring1][#Branch1][F] |
Cc1cc(=O)occ1F | [C][C][=C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch1][F] |
Cc1coc(=N)cc1F | [C][C][=C][O][C][=Branch1][C][=N][C][=C][Ring1][#Branch1][F] |
Cc1coc(=N)nc1F | [C][C][=C][O][C][=Branch1][C][=N][N][=C][Ring1][#Branch1][F] |
Cc1coc(=O)cc1F | [C][C][=C][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][F] |
Cc1coc(=O)nc1F | [C][C][=C][O][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |
Cc1nc(=N)occ1F | [C][C][=N][C][=Branch1][C][=N][O][C][=C][Ring1][#Branch1][F] |
Cc1nc(=O)occ1F | [C][C][=N][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch1][F] |
Nc1cc(=O)occ1F | [N][C][=C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch1][F] |
N=c1cc(F)c(N)co1 | [N][=C][C][=C][Branch1][C][F][C][Branch1][C][N][=C][O][Ring1][Branch2] |
N=c1nc(F)c(N)co1 | [N][=C][N][=C][Branch1][C][F][C][Branch1][C][N][=C][O][Ring1][Branch2] |
Nc1coc(=O)cc1F | [N][C][=C][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][F] |
Nc1coc(=O)nc1F | [N][C][=C][O][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |
N=c1cc(F)c(F)co1 | [N][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][O][Ring1][Branch2] |
N=c1nc(F)c(F)co1 | [N][=C][N][=C][Branch1][C][F][C][Branch1][C][F][=C][O][Ring1][Branch2] |
O=c1cc(F)c(F)co1 | [O][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][O][Ring1][Branch2] |
O=c1nc(F)c(F)co1 | [O][=C][N][=C][Branch1][C][F][C][Branch1][C][F][=C][O][Ring1][Branch2] |
N=c1occ(F)c(=O)o1 | [N][=C][O][C][=C][Branch1][C][F][C][=Branch1][C][=O][O][Ring1][Branch2] |
N=c1oc(=O)occ1F | [N][=C][O][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch1][F] |
Cc1cocc(F)c1=N | [C][C][=C][O][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N] |
Cc1cocc(F)c1=O | [C][C][=C][O][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
N=c1c(N)cocc1F | [N][=C][C][Branch1][C][N][=C][O][C][=C][Ring1][#Branch1][F] |
Nc1cocc(F)c1=O | [N][C][=C][O][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
N=c1c(F)cocc1F | [N][=C][C][Branch1][C][F][=C][O][C][=C][Ring1][#Branch1][F] |
O=c1c(F)cocc1F | [O][=C][C][Branch1][C][F][=C][O][C][=C][Ring1][#Branch1][F] |
Cn1c(F)nccc1=N | [C][N][C][Branch1][C][F][=N][C][=C][C][Ring1][#Branch1][=N] |
Cn1c(F)cncc1=N | [C][N][C][Branch1][C][F][=C][N][=C][C][Ring1][#Branch1][=N] |
Cn1c(F)ncnc1=N | [C][N][C][Branch1][C][F][=N][C][=N][C][Ring1][#Branch1][=N] |
Cn1c(F)cccc1=O | [C][N][C][Branch1][C][F][=C][C][=C][C][Ring1][#Branch1][=O] |
Cn1c(F)nccc1=O | [C][N][C][Branch1][C][F][=N][C][=C][C][Ring1][#Branch1][=O] |
Cn1c(F)cncc1=O | [C][N][C][Branch1][C][F][=C][N][=C][C][Ring1][#Branch1][=O] |
Cn1c(F)ncnc1=O | [C][N][C][Branch1][C][F][=N][C][=N][C][Ring1][#Branch1][=O] |
Cn1c(F)ccnc1=N | [C][N][C][Branch1][C][F][=C][C][=N][C][Ring1][#Branch1][=N] |
Cn1c(F)ccnc1=O | [C][N][C][Branch1][C][F][=C][C][=N][C][Ring1][#Branch1][=O] |
Cn1cc(F)ccc1=O | [C][N][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=O] |
Cn1cc(F)cnc1=N | [C][N][C][=C][Branch1][C][F][C][=N][C][Ring1][#Branch1][=N] |
Cn1cc(F)cnc1=O | [C][N][C][=C][Branch1][C][F][C][=N][C][Ring1][#Branch1][=O] |
Cn1cc(F)ncc1=N | [C][N][C][=C][Branch1][C][F][N][=C][C][Ring1][#Branch1][=N] |
Cn1cc(F)ncc1=O | [C][N][C][=C][Branch1][C][F][N][=C][C][Ring1][#Branch1][=O] |
Cn1ccc(=N)c(F)c1 | [C][N][C][=C][C][=Branch1][C][=N][C][Branch1][C][F][=C][Ring1][Branch2] |
Cn1ccc(=O)c(F)c1 | [C][N][C][=C][C][=Branch1][C][=O][C][Branch1][C][F][=C][Ring1][Branch2] |
Cn1cnc(=N)c(F)c1 | [C][N][C][=N][C][=Branch1][C][=N][C][Branch1][C][F][=C][Ring1][Branch2] |
Cn1cnc(=O)c(F)c1 | [C][N][C][=N][C][=Branch1][C][=O][C][Branch1][C][F][=C][Ring1][Branch2] |
Cn1ccc(=N)nc1F | [C][N][C][=C][C][=Branch1][C][=N][N][=C][Ring1][#Branch1][F] |
Cn1ccc(=O)cc1F | [C][N][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][F] |
Cn1ccc(=O)nc1F | [C][N][C][=C][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |
Cn1cnc(=N)cc1F | [C][N][C][=N][C][=Branch1][C][=N][C][=C][Ring1][#Branch1][F] |
Cn1cnc(=N)nc1F | [C][N][C][=N][C][=Branch1][C][=N][N][=C][Ring1][#Branch1][F] |
Cn1cnc(=O)cc1F | [C][N][C][=N][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][F] |
Cn1cnc(=O)nc1F | [C][N][C][=N][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |
Cn1ccc(F)cc1=O | [C][N][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=O] |
Cn1ccc(F)nc1=N | [C][N][C][=C][C][Branch1][C][F][=N][C][Ring1][#Branch1][=N] |
Cn1ccc(F)nc1=O | [C][N][C][=C][C][Branch1][C][F][=N][C][Ring1][#Branch1][=O] |
Cn1cnc(F)cc1=N | [C][N][C][=N][C][Branch1][C][F][=C][C][Ring1][#Branch1][=N] |
Cn1cnc(F)cc1=O | [C][N][C][=N][C][Branch1][C][F][=C][C][Ring1][#Branch1][=O] |
Cn1cnc(F)nc1=N | [C][N][C][=N][C][Branch1][C][F][=N][C][Ring1][#Branch1][=N] |
Cn1cnc(F)nc1=O | [C][N][C][=N][C][Branch1][C][F][=N][C][Ring1][#Branch1][=O] |
Cn1cccc(F)c1=N | [C][N][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N] |
Cn1cccc(F)c1=O | [C][N][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
Cn1ccnc(F)c1=N | [C][N][C][=C][N][=C][Branch1][C][F][C][Ring1][#Branch1][=N] |
Cn1ccnc(F)c1=O | [C][N][C][=C][N][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
Cn1cncc(F)c1=N | [C][N][C][=N][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N] |
Cn1cncc(F)c1=O | [C][N][C][=N][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
CNc1cc(F)ncn1 | [C][N][C][=C][C][Branch1][C][F][=N][C][=N][Ring1][#Branch1] |
CN=c1cc(F)ocn1 | [C][N][=C][C][=C][Branch1][C][F][O][C][=N][Ring1][#Branch1] |
CNc1ccnc(F)c1 | [C][N][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1] |
CNc1ccnc(F)n1 | [C][N][C][=C][C][=N][C][Branch1][C][F][=N][Ring1][#Branch1] |
CN=c1ccoc(F)c1 | [C][N][=C][C][=C][O][C][Branch1][C][F][=C][Ring1][#Branch1] |
CN=c1ccoc(F)n1 | [C][N][=C][C][=C][O][C][Branch1][C][F][=N][Ring1][#Branch1] |
CNc1ncnc(F)n1 | [C][N][C][=N][C][=N][C][Branch1][C][F][=N][Ring1][#Branch1] |
CN=c1ncoc(F)n1 | [C][N][=C][N][=C][O][C][Branch1][C][F][=N][Ring1][#Branch1] |
CNc1ccncc1F | [C][N][C][=C][C][=N][C][=C][Ring1][=Branch1][F] |
CN=c1ccocc1F | [C][N][=C][C][=C][O][C][=C][Ring1][=Branch1][F] |
CNc1ncncc1F | [C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][F] |
CN=c1ncocc1F | [C][N][=C][N][=C][O][C][=C][Ring1][=Branch1][F] |
CNc1cccc(F)n1 | [C][N][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
CNc1nccc(F)n1 | [C][N][C][=N][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
CNc1cncc(F)n1 | [C][N][C][=C][N][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
CN=c1cccc(F)o1 | [C][N][=C][C][=C][C][=C][Branch1][C][F][O][Ring1][#Branch1] |
CN=c1nccc(F)o1 | [C][N][=C][N][=C][C][=C][Branch1][C][F][O][Ring1][#Branch1] |
CN=c1cncc(F)o1 | [C][N][=C][C][=N][C][=C][Branch1][C][F][O][Ring1][#Branch1] |