chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL440 | [C][=C][C][C][Branch1][Branch2][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][=C][Branch1][C][S][N][C][Ring1][=N][=O] |
CHEMBL7201 | [C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][#C][C][=C][NH1][C][=N][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][C][C][Ring1][Branch1] |
CHEMBL1163164 | [O][C][C][C][C][C][C][Ring1][Branch1][C][Branch1][P][N][C][=N][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][#C] |
CHEMBL7287 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] |
CHEMBL3310387 | [C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL3310397 | [N][#C][C][=C][N][=C][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring2][Ring1][C][C][Branch1][C][O][=C][Ring2][Ring1][=Branch2] |
CHEMBL6951 | [O][=C][Branch2][Ring1][=Branch2][O][C][C@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@@H1][Ring1][#Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL6952 | [C][O][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][C][Branch2][Ring1][C][/C][Branch1][C][C][=C][/C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][=C][Ring2][Ring2][Ring1... |
CHEMBL6954 | [C][N][C][C][C][N][=C][Ring1][=Branch1][S] |
CHEMBL3310546 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Ring1][=C][N][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][#C][=O][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][P][=O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1] |
CHEMBL7510 | [C][C][=Branch1][C][=O][O][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL7511 | [N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][N][Ring2][Ring1][Ring1][Ring1][#Branch2] |
CHEMBL7512 | [C][O][C][=C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][C][=Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] |
CHEMBL7656 | [C][N][Branch2][Ring2][=C][C][=Branch1][C][=O][C@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][C][C][Ring1][Branch1] |
CHEMBL46 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Ring1][=C][=O] |
CHEMBL3310650 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][C][Ring1][#Branch1][=C][Ring1][S][O] |
CHEMBL6998 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL6999 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL7000 | [N][C][=N][C][Branch1][C][O][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][Ring1][P][=N][Ring2][Ring1][=Branch1] |
CHEMBL7002 | [C][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][C][C][C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL7003 | [N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL7288 | [C][O][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL7289 | [C][C][Branch1][C][C][C][C][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][C][=O][O][C][=Ring1][O][C][=C][Ring1][#C][N][Ring2][Ring1][Ring2] |
CHEMBL7290 | [C][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Branch2][=O] |
CHEMBL7291 | [O][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL7023 | [C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P] |
CHEMBL7024 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL3310403 | [C][C][S][C][Branch1][P][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring1][=Branch2][O][=N][C][=Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL7043 | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][C][S][C][C][C][C][C][Ring1][Ring2][C][=C][Ring1][=C] |
CHEMBL7044 | [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][/C][=Branch1][=N][=N][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][C] |
CHEMBL7136 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][O][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] |
CHEMBL7137 | [C][O][C][=C][C][=C][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][N][=C][Ring1][O][C][=C][Ring1][#C][O][C] |
CHEMBL3310551 | [C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][=C][=O][C][C][C][C][Ring1][Branch2][C][C][Ring1][=Branch1] |
CHEMBL7514 | [C][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O] |
CHEMBL7515 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] |
CHEMBL7516 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][N][=C][Ring1][=Branch2][Ring1][N][=C][Ring2][Ring1][Ring1] |
CHEMBL7517 | [O][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][Ring1][=C] |
CHEMBL7518 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O] |
CHEMBL7599 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][#C] |
CHEMBL3310652 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][Branch1][C][C][=N][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][O] |
CHEMBL7087 | [N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL7088 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][... |
CHEMBL7089 | [C][C][C@H1][N][C][=C][C][=N][C][Branch1][C][O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring1][#C][C][C@H1][Ring2][Ring1][Ring1][C] |
CHEMBL7090 | [C][C][O][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=C][Ring1][N][C][C][=Branch1][C][=O][O][C][C] |
CHEMBL7091 | [C][C][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][N] |
CHEMBL7092 | [N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Cl] |
CHEMBL7093 | [C][/C][=Branch1][=C][=C][\C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][P][O][C][C][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][O][C][=Ring1][S][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL7025 | [O][C][NH1][C][Branch1][C][Br][=N][C][=N][N][=C][C][=Ring1][#Branch2][Ring1][Branch1] |
CHEMBL7026 | [O][=C][O][C][=Branch1][C][=O][C@H1][C@@H1][C][C@H1][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][Branch1][O][Ring2][Ring1][C][C@@H1][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] |
CHEMBL7027 | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2] |
CHEMBL7113 | [O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][=Branch2] |
CHEMBL7114 | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][N][NH1][Ring1][#C] |
CHEMBL3310405 | [C][C][N][C][=Branch1][C][=O][C][C][N][=C][Branch1][P][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring1][=Branch2][O][S][C][=Ring1][#C][C] |
CHEMBL3310414 | [C][O][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][N][=O] |
CHEMBL7139 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][N][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][N][=C][Ring2][Ring1][Branch1] |
CHEMBL7140 | [O][=C][Branch2][Ring1][C][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] |
CHEMBL7141 | [C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL7224 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][Ring2][Ring1][Ring2] |
CHEMBL3310561 | [C][C][Branch1][C][C][C][C][C][C][=N][C][=C][C][=Branch1][Branch2][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][#Branch2][=O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1] |
CHEMBL3310562 | [C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1] |
CHEMBL7336 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL7337 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL7338 | [C][O][C][=C][C][=C][NH1][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL7339 | [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][O][C][Ring1][=C][=C][Ring2][Ring1][Ring1] |
CHEMBL7420 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL3310661 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][C][Ring1][#Branch1][=C][Ring1][S][O][C] |
CHEMBL3310668 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
CHEMBL7182 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL7183 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C] |
CHEMBL7185 | [N][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Ring1][N][O] |
CHEMBL7186 | [O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL7187 | [C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Ring1][P][O] |
CHEMBL3310737 | [C][C][C][C][C][/C][=C][\C][C][=Branch1][C][=O][/C][=C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O] |
CHEMBL7116 | [C][O][C][=C][C][=C][O][C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][=C][C][Ring1][=N][=C][Ring1][P] |
CHEMBL7203 | [C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][Ring2][C][C][Cl][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL7204 | [N][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL3310421 | [C][C][C][=C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=Ring2][Ring1][Ring1] |
CHEMBL3310427 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][Br][C][=C][Ring1][Branch2][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O] |
CHEMBL3310429 | [C][=C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][S][Br] |
CHEMBL7225 | [C][N][C@@H1][C][Branch1][C][O][C@@H1][Branch2][Ring2][#Branch2][O][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][=Branch1][O][C@H1][O][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Ring1][#Branch2][N][O][C][Branch1][C][N][C][C@H1][Ring2][Ring1][Branch1][N][O][C][C@H1][Ring2][Ring1][=C][O] |
CHEMBL7226 | [C][S][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL7227 | [C][O][C][=C][C][=C][C][=C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][C][=Ring1][Branch2][C][=C][Ring1][S][Ring1][N] |
CHEMBL7228 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][C][C][Ring1][N] |
CHEMBL7583 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=N][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][=C][N][=C][Ring1][#Branch2][Ring1][=N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL3310570 | [O][=C][Branch2][Ring1][#Branch1][N][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][NH1][Ring1][Branch2] |
CHEMBL3310577 | [O][=C][Branch1][S][N][N][C][=Branch1][C][=S][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][NH1][Ring1][Branch2] |
CHEMBL7421 | [C][C][C@@H1][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][O][N][=C][Ring1][O][C][=C][Ring1][#C][N][C@@H1][Ring2][Ring1][Ring1][C][C] |
CHEMBL7422 | [C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring2][Ring1][Branch2][Ring1][Branch2] |
CHEMBL7424 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2] |
CHEMBL7426 | [O][C][NH1][C][Branch1][C][Br][=N][C][=N][N][=C][Branch1][C][Br][C][=Ring1][O][Ring1][=Branch1] |
CHEMBL3310676 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][N][=C][Ring1][=Branch1] |
CHEMBL3310685 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL7270 | [C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C][=O] |
CHEMBL7271 | [C][C][C][=N][N][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][S] |
CHEMBL7272 | [C][C][O][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=C][Ring1][N][C][=Branch1][C][=O][O][C][C] |
CHEMBL7273 | [O][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][P] |
CHEMBL7274 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring2][Ring1][Ring2][=O] |
CHEMBL3310742 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][C][=O] |
CHEMBL7205 | [C][C][O][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=N][C][=Ring1][S][C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][Branch1][C][C][C][C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][=C][Ring1][P] |
CHEMBL7206 | [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][N][N][Branch1][#Branch1][C][C][O][C][C][Cl][C][C][Ring1][=N] |
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