molecule_smiles
stringlengths 1
1.15k
| SELFIES
stringlengths 3
4.03k
|
|---|---|
CN=c1ccnc(F)o1 | [C][N][=C][C][=C][N][=C][Branch1][C][F][O][Ring1][#Branch1] |
CN=c1ncnc(F)o1 | [C][N][=C][N][=C][N][=C][Branch1][C][F][O][Ring1][#Branch1] |
CNc1ncc(F)cn1 | [C][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
CNc1cnc(F)cn1 | [C][N][C][=C][N][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
CN=c1ccc(F)co1 | [C][N][=C][C][=C][C][Branch1][C][F][=C][O][Ring1][#Branch1] |
CN=c1ncc(F)co1 | [C][N][=C][N][=C][C][Branch1][C][F][=C][O][Ring1][#Branch1] |
CN=c1cnc(F)co1 | [C][N][=C][C][=N][C][Branch1][C][F][=C][O][Ring1][#Branch1] |
CN=c1cc(F)cco1 | [C][N][=C][C][=C][Branch1][C][F][C][=C][O][Ring1][#Branch1] |
CN=c1nc(F)cco1 | [C][N][=C][N][=C][Branch1][C][F][C][=C][O][Ring1][#Branch1] |
CN=c1cc(F)nco1 | [C][N][=C][C][=C][Branch1][C][F][N][=C][O][Ring1][#Branch1] |
CN=c1nc(F)nco1 | [C][N][=C][N][=C][Branch1][C][F][N][=C][O][Ring1][#Branch1] |
CNc1ncccc1F | [C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F] |
CNc1nccnc1F | [C][N][C][=N][C][=C][N][=C][Ring1][=Branch1][F] |
CN=c1occcc1F | [C][N][=C][O][C][=C][C][=C][Ring1][=Branch1][F] |
CN=c1occnc1F | [C][N][=C][O][C][=C][N][=C][Ring1][=Branch1][F] |
CN=c1ocncc1F | [C][N][=C][O][C][=N][C][=C][Ring1][=Branch1][F] |
CCc1ccc(F)cc1 | [C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CCc1ccc(F)nc1 | [C][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
CCc1cnc(F)cn1 | [C][C][C][=C][N][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
CCc1cnc(F)nc1 | [C][C][C][=C][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
CCc1ccc(F)cn1 | [C][C][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
CCc1ncc(F)cn1 | [C][C][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
CNc1ccc(F)cc1 | [C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CNc1ccc(F)nc1 | [C][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
CNc1cnc(F)nc1 | [C][N][C][=C][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
CNc1ccc(F)cn1 | [C][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
COc1ccc(F)cc1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
COc1ccc(F)nc1 | [C][O][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
COc1cnc(F)cn1 | [C][O][C][=C][N][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
COc1cnc(F)nc1 | [C][O][C][=C][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
COc1ccc(F)cn1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
COc1ncc(F)cn1 | [C][O][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
OCc1ccc(F)cc1 | [O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
OCc1ccc(F)nc1 | [O][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
OCc1cnc(F)cn1 | [O][C][C][=C][N][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
OCc1cnc(F)nc1 | [O][C][C][=C][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
OCc1ccc(F)cn1 | [O][C][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
OCc1ncc(F)cn1 | [O][C][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
CCc1cccc(F)c1 | [C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CCc1cccc(F)n1 | [C][C][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
CCc1ccnc(F)c1 | [C][C][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1] |
CCc1ccnc(F)n1 | [C][C][C][=C][C][=N][C][Branch1][C][F][=N][Ring1][#Branch1] |
CCc1cncc(F)c1 | [C][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CCc1cncc(F)n1 | [C][C][C][=C][N][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
CCc1cc(F)ccn1 | [C][C][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1] |
CCc1nccc(F)n1 | [C][C][C][=N][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
CCc1cc(F)ncn1 | [C][C][C][=C][C][Branch1][C][F][=N][C][=N][Ring1][#Branch1] |
CCc1ncnc(F)n1 | [C][C][C][=N][C][=N][C][Branch1][C][F][=N][Ring1][#Branch1] |
CNc1cccc(F)c1 | [C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CNc1cncc(F)c1 | [C][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CNc1cc(F)ccn1 | [C][N][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1] |
COc1cccc(F)c1 | [C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
COc1cccc(F)n1 | [C][O][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
COc1ccnc(F)c1 | [C][O][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1] |
COc1ccnc(F)n1 | [C][O][C][=C][C][=N][C][Branch1][C][F][=N][Ring1][#Branch1] |
COc1cncc(F)c1 | [C][O][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
COc1cncc(F)n1 | [C][O][C][=C][N][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
COc1cc(F)ccn1 | [C][O][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1] |
COc1nccc(F)n1 | [C][O][C][=N][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
COc1cc(F)ncn1 | [C][O][C][=C][C][Branch1][C][F][=N][C][=N][Ring1][#Branch1] |
COc1ncnc(F)n1 | [C][O][C][=N][C][=N][C][Branch1][C][F][=N][Ring1][#Branch1] |
OCc1cccc(F)c1 | [O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
OCc1cccc(F)n1 | [O][C][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
OCc1ccnc(F)c1 | [O][C][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1] |
OCc1ccnc(F)n1 | [O][C][C][=C][C][=N][C][Branch1][C][F][=N][Ring1][#Branch1] |
OCc1cncc(F)c1 | [O][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
OCc1cncc(F)n1 | [O][C][C][=C][N][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
OCc1cc(F)ccn1 | [O][C][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1] |
OCc1nccc(F)n1 | [O][C][C][=N][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
OCc1cc(F)ncn1 | [O][C][C][=C][C][Branch1][C][F][=N][C][=N][Ring1][#Branch1] |
OCc1ncnc(F)n1 | [O][C][C][=N][C][=N][C][Branch1][C][F][=N][Ring1][#Branch1] |
CCc1ccccc1F | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CCc1cccnc1F | [C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][F] |
CCc1ccncc1F | [C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][F] |
CCc1cnccc1F | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][F] |
CCc1cncnc1F | [C][C][C][=C][N][=C][N][=C][Ring1][=Branch1][F] |
CCc1ncccc1F | [C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][F] |
CCc1nccnc1F | [C][C][C][=N][C][=C][N][=C][Ring1][=Branch1][F] |
CCc1ncncc1F | [C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][F] |
CNc1ccccc1F | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CNc1cccnc1F | [C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][F] |
CNc1cnccc1F | [C][N][C][=C][N][=C][C][=C][Ring1][=Branch1][F] |
CNc1cncnc1F | [C][N][C][=C][N][=C][N][=C][Ring1][=Branch1][F] |
COc1ccccc1F | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
COc1cccnc1F | [C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][F] |
COc1ccncc1F | [C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][F] |
COc1cnccc1F | [C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][F] |
COc1cncnc1F | [C][O][C][=C][N][=C][N][=C][Ring1][=Branch1][F] |
COc1ncccc1F | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][F] |
COc1nccnc1F | [C][O][C][=N][C][=C][N][=C][Ring1][=Branch1][F] |
COc1ncncc1F | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][F] |
OCc1ccccc1F | [O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
OCc1cccnc1F | [O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][F] |
OCc1ccncc1F | [O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][F] |
OCc1cnccc1F | [O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][F] |
OCc1cncnc1F | [O][C][C][=C][N][=C][N][=C][Ring1][=Branch1][F] |
OCc1ncccc1F | [O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][F] |
OCc1nccnc1F | [O][C][C][=N][C][=C][N][=C][Ring1][=Branch1][F] |
OCc1ncncc1F | [O][C][C][=N][C][=N][C][=C][Ring1][=Branch1][F] |
Cc1c(F)cnnc1N | [C][C][=C][Branch1][C][F][C][=N][N][=C][Ring1][#Branch1][N] |