chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL10560
|
[C][C][#C][C@@][Branch1][C][O][C][C][C@@][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C@@H1][Ring1][=N][C][Ring2][Ring1][C]
|
CHEMBL10305
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][O]
|
CHEMBL10306
|
[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10307
|
[C][C][C][C][C][C][C][N][Branch2][Ring2][O][C][C][C][C][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
CHEMBL10330
|
[O][=C][O][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][O]
|
CHEMBL77
|
[C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][O][C@][Branch1][C][C][C][C][C@@H1][Ring1][S][C][Ring1][Branch2][Ring1][=C][O][O][Ring1][Branch2]
|
CHEMBL10331
|
[O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][O]
|
CHEMBL7668
|
[O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL8320
|
[O][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1]
|
CHEMBL10333
|
[C][C][C][C][C][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10432
|
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1]
|
CHEMBL10434
|
[C][=C][C][=C][Branch2][Ring2][Ring2][C][N][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL10435
|
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1]
|
CHEMBL10436
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][N][=N][NH1][Ring1][Branch1]
|
CHEMBL10371
|
[C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL10372
|
[O][=C][Branch1][C][O][C][C][=N][N][Branch2][Ring1][=Branch2][C][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][S][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL10373
|
[C][C][N][Branch2][Ring1][=C][C][=N][C][Branch1][C][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][P][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br]
|
CHEMBL10455
|
[O][=C][Branch1][C][O][C][C][C][/C][=C][/C][C@H1][C@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][S][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][O][Ring1][N]
|
CHEMBL10456
|
[C][C][C][=C][C][=Branch2][Ring2][Branch2][=N][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][S][C][O][C][=Branch1][C][=O][C][Ring1][O][Branch1][C][O][C][C]
|
CHEMBL10308
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][O][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][C][Branch1][Ring1][O][C][=C][C@][C][C][C][N][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][Ring1][Ring1][=C][O][C][O][Ring1][Branch2]
|
CHEMBL10309
|
[O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][O]
|
CHEMBL10310
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch1][C][C][S][C][N][C][Branch1][C][C][=O]
|
CHEMBL10390
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10411
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL10412
|
[O][=C][Branch1][C][O][C][C][C][/C][=C][/C][C@H1][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][O]
|
CHEMBL10413
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL10414
|
[C][N][C][C][Branch1][C][O][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL10416
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL10576
|
[C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL10577
|
[C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL10578
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2]
|
CHEMBL10579
|
[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][NH1][Ring1][=N]
|
CHEMBL10580
|
[C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10581
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10457
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL10458
|
[C][C][C][N][Branch2][Ring2][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O]
|
CHEMBL10540
|
[C][C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][\C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
CHEMBL10391
|
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][C][=C][Ring1][#Branch2][N][=C][Ring1][=C][Ring2][Ring1][Ring1]
|
CHEMBL10392
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL10394
|
[O][=C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][#Branch2]
|
CHEMBL1163320
|
[C][S][C][C][C@H1][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL10395
|
[O][=C][O][C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL10492
|
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][=C][C][=C][Branch2][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][Ring1][N][C][C][#C][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL10493
|
[C][C][Branch1][C][C][C][Branch1][C][O][C][C][C@@][Branch1][C][C][C][Ring1][=Branch2][C][C][C@][Branch1][C][C][C][Ring1][Branch2][C][C][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][Branch2][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@][Ring2][Ring1][N][Ring2][Ring1][P][C]
|
CHEMBL10494
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][F]
|
CHEMBL10495
|
[C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C@H1][Branch1][C][C][C][C][Ring1][=C][Ring1][#Branch1]
|
CHEMBL10496
|
[C][N][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10266
|
[C][O][C][C][O][C][O][C][C][#C][C][C][Branch2][Ring1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][O]
|
CHEMBL10267
|
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL10268
|
[O][=S][O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][=Branch2]
|
CHEMBL10270
|
[C][=C][C][N][C][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C@H1][Ring1][N][Ring1][#C]
|
CHEMBL10541
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL10543
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Ring1][=Branch2][=C][Ring1][=C][O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL1163324
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch2][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL10544
|
[O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL10290
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10472
|
[C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][=N][O][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][C][Cl]
|
CHEMBL10473
|
[C][C][N][Branch2][Ring1][#Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][=C][C][=C][Branch1][C][Br][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C]
|
CHEMBL10474
|
[C][N][C][=Branch1][C][=O][C][=C][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C][Branch1][#C][C][C][C@@][Ring1][=Branch1][Branch1][C][O][C][#C][C][C][C][I][C][Ring1][P][C][C][C][Ring2][Ring1][O][Ring2][Ring1][=Branch1]
|
CHEMBL10475
|
[C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C][Ring1][#C][Ring1][Branch2]
|
CHEMBL78
|
[N][C][C][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S]
|
CHEMBL10498
|
[C][C][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N]
|
CHEMBL10242
|
[C][=C][C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][=C][C][=C][Ring1][N][C][C][=C][C][=C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C]
|
CHEMBL10243
|
[C][C][C][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2]
|
CHEMBL11194
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][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@H1][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][N][Ring2][Ring2][=Branch2]
|
CHEMBL10244
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][N][Branch1][C][C][C][C][N][Branch1][C][C][C][C]
|
CHEMBL10245
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][C][N][Ring1][=Branch1]
|
CHEMBL10246
|
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1]
|
CHEMBL10271
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][N][=C][Ring1][Branch2][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL10355
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][O][C][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S]
|
CHEMBL10356
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL10357
|
[C][C][=C][C][=C][Branch2][Ring2][N][N][C][C][Branch1][C][O][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][Ring2][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][P]
|
CHEMBL10291
|
[C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@H1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][Branch1][C][O][Ring1][N][C@@H1][Ring1][=C][C][/C][=C][/C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL10292
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Ring1][=Branch2][=C][Ring1][=C][O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL10293
|
[C][C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
CHEMBL10294
|
[C][C][C][C][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C]
|
CHEMBL10561
|
[C][C][C][N][C@H1][Branch1][C][C][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C@H1][Ring1][N][Ring1][S]
|
CHEMBL10563
|
[C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][O][C@@H1][C][C][N][C][Ring1][Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL10564
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][P][C][/C][=C][/C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C]
|
CHEMBL10565
|
[O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL10566
|
[C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][O]
|
CHEMBL10897
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][N][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][N]
|
CHEMBL10898
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][C@H1][Branch1][=Branch2][N][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch1]
|
CHEMBL10652
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring1][O][C]
|
CHEMBL10653
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][/C][=C][\C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][O][Ring1][P]
|
CHEMBL10588
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][C]
|
CHEMBL10589
|
[C][O][C][=C][C][Branch2][Ring2][Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL10590
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][#C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][S][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL10591
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][Ring1][C][S][C][=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][Ring2][Ring1][C][C][=N][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][#C]
|
CHEMBL10909
|
[N][#C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][O][C][C@H1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][Branch1][C][O][Ring1][N][C@@H1][Ring1][=C][C][/C][=C][/C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][S]
|
CHEMBL10910
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL10911
|
[C][S][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL10912
|
[C][S][C][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1]
|
CHEMBL10875
|
[C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=O][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N]
|
CHEMBL10876
|
[O][=C][Branch1][C][O][C][C][C][/C][=C][\C][C@H1][C@H1][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][P][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][Ring1][N]
|
CHEMBL10877
|
[C][S][C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1]
|
CHEMBL10878
|
[C][O][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][N][=C][Ring1][S]
|
CHEMBL10654
|
[O][C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL10655
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][C][#C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL10656
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
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