pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.58	IUPAC digitized pKa	1	0	Cc1cc([N+](=O)[O-])cnc1[NH3+],Cc1cc([N+](=O)[O-])c[nH+]c1N	Cc1cc([N+](=O)[O-])cnc1N	mol1595	Cc1cc([N+](=O)[O-])cnc1N
3.57999992370605	QSARToolbox	1	0	Cc1cc([N+](=O)[O-])cnc1[NH3+],Cc1cc([N+](=O)[O-])c[nH+]c1N	Cc1cc([N+](=O)[O-])cnc1N	mol1595	Cc1cc([N+](=O)[O-])cnc1N