pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57000017166138	QSARToolbox	1	0	Nc1c([NH3+])cccc1[N+](=O)[O-],Nc1cccc([N+](=O)[O-])c1[NH3+]	Nc1cccc([N+](=O)[O-])c1N	mol5986	Nc1cccc([N+](=O)[O-])c1N
-4.1	IUPAC digitized pKa	2	1	[NH3+]c1cccc([N+](=O)[O-])c1[NH3+]	Nc1c([NH3+])cccc1[N+](=O)[O-],Nc1cccc([N+](=O)[O-])c1[NH3+]	mol5986	Nc1cccc([N+](=O)[O-])c1N