pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.93	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)c([N+](=O)[O-])c1	Nc1ccc(Cl)c([N+](=O)[O-])c1	mol1004	Nc1ccc(Cl)c([N+](=O)[O-])c1
1.9	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Cl)c([N+](=O)[O-])c1	Nc1ccc(Cl)c([N+](=O)[O-])c1	mol1004	Nc1ccc(Cl)c([N+](=O)[O-])c1
1.89999997615814	QSARToolbox	1	0	[NH3+]c1ccc(Cl)c([N+](=O)[O-])c1	Nc1ccc(Cl)c([N+](=O)[O-])c1	mol1004	Nc1ccc(Cl)c([N+](=O)[O-])c1
2.1	AttenGpKa training set	1	0	[NH3+]c1ccc(Cl)c([N+](=O)[O-])c1	Nc1ccc(Cl)c([N+](=O)[O-])c1	mol1004	Nc1ccc(Cl)c([N+](=O)[O-])c1