chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL12367 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][C][C][Ring1][#Branch2] |
CHEMBL12368 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][N+1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][C][C][Ring2][Ring1][#Branch1].[Br-1] |
CHEMBL12098 | [C][C][=C][C][=C][C][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][O][N][C][C][C][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring... |
CHEMBL12099 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12115 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][C][C][N][Branch2][Ring1][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL12116 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL12205 | [O][=N][N][C][C][O][C][Ring1][Branch1][=O] |
CHEMBL12208 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL12051 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Ring2][=O] |
CHEMBL12052 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][=Branch2] |
CHEMBL503 | [C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C][C@@H1][Branch1][C][C][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch1][P][C][C][C@@H1][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][Ring1][Branch2][C@H1][Ring1][P][Ring2][Ring1][=Branch1] |
CHEMBL12140 | [C][/C][=C][Branch1][Branch2][\N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O] |
CHEMBL4560037 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][/C][=N][/N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12141 | [C][C][C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12142 | [C][/C][=C][Branch1][N][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12075 | [C][N][Branch1][C][C][C][C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12076 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][#Branch2] |
CHEMBL12077 | [C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][=O] |
CHEMBL12078 | [C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O] |
CHEMBL12079 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL12101 | [C][C][C][C][/N][=C][Branch1][C][/C][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N] |
CHEMBL12185 | [N][C][=C][C][=C][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][=C][C][C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch1] |
CHEMBL12187 | [C][N][C][C][N][Branch2][Ring2][=Branch2][C][Branch2][Ring1][#Branch2][C][N][C][C][N][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#C] |
CHEMBL12188 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL12189 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL11921 | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N][O] |
CHEMBL11924 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][P][=C][\C][C][C][C][C][N][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][O] |
CHEMBL12143 | [O][=C][Branch2][Ring1][=C][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][N][O] |
CHEMBL1163416 | [C][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C][=Branch2][=Branch2][N][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Branch2][Ring2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][C][Branch2][=Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O... |
CHEMBL12233 | [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][Ring1][C][C][=C][Ring2][Ring1][=Bra... |
CHEMBL12234 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][=N][NH1][C][Branch1][C][O][=N][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][O] |
CHEMBL12160 | [C][/N][=C][Branch1][C][\S][N][C][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12161 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][N][Ring1][=C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12162 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] |
CHEMBL12163 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][Ring1][N].[C][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL12165 | [C][/C][=C][Branch2][Ring1][=Branch2][\N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12166 | [C][/C][=C][Branch2][Ring1][#Branch1][\N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][=C][Branch1][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12167 | [N][C][C][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][Cl][C][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S] |
CHEMBL1163423 | [C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring2][Ring2][Ring2][C][C][=B... |
CHEMBL12278 | [C][C][C][C][/N][=C][Branch2][Ring1][O][\N][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P][C][Branch1][C][C][C] |
CHEMBL12279 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL12281 | [C][C][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=Branch1][C][=O][O][C][Ring1][O][=C][Ring1][#C] |
CHEMBL11925 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O].[C][C][Branch1][C][C][=O] |
CHEMBL12305 | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S] |
CHEMBL12307 | [C][C][/C][=C][Branch1][N][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12235 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch2][Ring1][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1] |
CHEMBL12236 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL12322 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][C][Branch1][C][C][N] |
CHEMBL12323 | [C][N][C][C][C][=C][Branch1][Branch2][C][=N][C][=N][O][Ring1][Branch1][C][Ring1][O] |
CHEMBL12324 | [C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][C][C][N+1][Branch1][C][C][Branch1][C][C][C@H1][Ring1][N][Ring1][#Branch1] |
CHEMBL12251 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1] |
CHEMBL12253 | [O][=C][Branch1][C][O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL12254 | [O][=S][=Branch1][C][=O][Branch2][Ring2][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
CHEMBL12255 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL12256 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2] |
CHEMBL12284 | [C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O] |
CHEMBL12369 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][C][N][Branch2][Ring1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL12370 | [C][N][C][C][N][Branch2][Ring2][N][C][Branch2][Ring1][=N][C][N][C][C][N][Branch1][P][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][P] |
CHEMBL12371 | [C][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C] |
CHEMBL12309 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL12028 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][N][C][C][C][S][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][N][C][C][Ring2][Ring1][#Branch1] |
CHEMBL12029 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O] |
CHEMBL12030 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#C][=C][\C][C][C][C][C][N][C][=N][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL12325 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] |
CHEMBL12326 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12327 | [C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][N][Ring1][=C] |
CHEMBL12053 | [C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Ring1][=N] |
CHEMBL12054 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL12055 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][Ring1] |
CHEMBL12056 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL12346 | [C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][Ring1][C][O][C][Branch2][Ring2][Ring2][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][... |
CHEMBL12347 | [C][=C][C][=C][C][=C][Branch1][Branch2][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][N][Branch1][S][C][C][C][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL1163424 | [C][O][C][=C][C][Branch2][Branch2][Branch1][/C][=C][/C][=Branch1][C][=O][C][C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch2][=Branch1][Branch2][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@H1][C][Branch1][C][C][B... |
CHEMBL12102 | [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][N][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL12103 | [C][N][C][C][C][C][C][C][Ring1][#Branch1][=O] |
CHEMBL12104 | [C][/C][=C][Branch2][Ring1][Ring1][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL12105 | [O][=C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][O][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12031 | [C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL12032 | [C][/C][Branch2][Ring1][=Branch2][C][C][C][C][C][=C][Branch1][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][#C][=N][\O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL12124 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C@@H1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] |
CHEMBL12125 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][S][C][Ring2][Ring1][#Branch1].[Br-1] |
CHEMBL12126 | [C][O][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12058 | [C][C][=Branch1][C][=N][N][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] |
CHEMBL12059 | [C][S][/C][=Branch2][Ring1][Ring1][=N][\C][C][S][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][#N] |
CHEMBL12144 | [C][C][C][C][=N][C][=C][Branch2][Ring2][P][N][Ring1][Branch1][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][Ring2][C][C][#N][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][Rin... |
CHEMBL12080 | [C][N][Branch2][Ring1][N][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O] |
CHEMBL12081 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL12082 | [C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][S][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][Cl][S][Ring2][Ring1][O][=Branch1][C][=O][=O] |
CHEMBL12083 | [C][S][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL12084 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][O] |
CHEMBL12106 | [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL12190 | [C][C][C][C][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][O][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] |
CHEMBL12191 | [C][O][C][=C][C][=C][C][Branch1][=C][C][N+1][Branch1][C][C][Branch1][Ring2][C][C][Cl][C][C][Cl][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1].[Cl-1] |
CHEMBL12192 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL12193 | [O][=C][C][C][C][C][N][Ring1][=Branch1] |
CHEMBL12127 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][/C][=C][/C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring1] |
CHEMBL12128 | [C][N][Branch1][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12216 | [C][C][C][C][C][C@@H1][Branch2][Ring1][O][/C][=C][/C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][O][C][Branch1][C][C][=O] |
CHEMBL12217 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch2] |
CHEMBL12218 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C@][Ring1][=N][Ring1][Branch2][C] |
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