pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	Hunt	1	0	[NH3+]c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	mol2542	Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1
4.44999980926514	QSARToolbox	1	0	[NH3+]c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	mol2542	Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1