pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.37	AttenGpKa training set	0	-1	Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol9661	Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
1.0	IUPAC digitized pKa	1	0	[NH3+]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	mol9661	Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O