pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.99	OCHEM	1	0	[NH3+]c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	mol33175	Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
2.99000000953674	QSARToolbox	1	0	[NH3+]c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	mol33175	Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1