chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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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][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][O][Ring2][Ring2][Branch2]
|
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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