Datasets:
HoangHa
/
molenet-selfies-pretrain

Dataset card Data Studio Files Community
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]