pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.05	Hunt	1	0	[NH3+]c1ccc(Br)cc1[N+](=O)[O-]	Nc1ccc(Br)cc1[N+](=O)[O-]	mol2204	Nc1ccc(Br)cc1[N+](=O)[O-]
-1.075	OCHEM	1	0	[NH3+]c1ccc(Br)cc1[N+](=O)[O-]	Nc1ccc(Br)cc1[N+](=O)[O-]	mol2204	Nc1ccc(Br)cc1[N+](=O)[O-]
-1.5	QSARToolbox	1	0	[NH3+]c1ccc(Br)cc1[N+](=O)[O-]	Nc1ccc(Br)cc1[N+](=O)[O-]	mol2204	Nc1ccc(Br)cc1[N+](=O)[O-]
-1.10000002384186	QSARToolbox	1	0	[NH3+]c1ccc(Br)cc1[N+](=O)[O-]	Nc1ccc(Br)cc1[N+](=O)[O-]	mol2204	Nc1ccc(Br)cc1[N+](=O)[O-]
-1.125	AttenGpKa training set	1	0	[NH3+]c1ccc(Br)cc1[N+](=O)[O-]	Nc1ccc(Br)cc1[N+](=O)[O-]	mol2204	Nc1ccc(Br)cc1[N+](=O)[O-]