pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.93	Hunt	1	0	CC(C)(C)[NH2+]c1ccc(Br)cc1	CC(C)(C)Nc1ccc(Br)cc1	mol980	CC(C)(C)Nc1ccc(Br)cc1
5.92999982833862	QSARToolbox	1	0	CC(C)(C)[NH2+]c1ccc(Br)cc1	CC(C)(C)Nc1ccc(Br)cc1	mol980	CC(C)(C)Nc1ccc(Br)cc1
6.08	AttenGpKa training set	1	0	CC(C)(C)[NH2+]c1ccc(Br)cc1	CC(C)(C)Nc1ccc(Br)cc1	mol980	CC(C)(C)Nc1ccc(Br)cc1