pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.39999961853027	QSARToolbox	1	0	[NH2+]=C(Nc1ccc(Br)cc1)c1ccccc1	N=C(Nc1ccc(Br)cc1)c1ccccc1	mol28132	N=C(Nc1ccc(Br)cc1)c1ccccc1
8.7	AttenGpKa training set	1	0	[NH2+]=C(Nc1ccc(Br)cc1)c1ccccc1	N=C(Nc1ccc(Br)cc1)c1ccccc1	mol28132	N=C(Nc1ccc(Br)cc1)c1ccccc1