pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.78	IUPAC digitized pKa	1	0	Nc1ccc([N+](=O)[O-])c[nH+]1,[NH3+]c1ccc([N+](=O)[O-])cn1	Nc1ccc([N+](=O)[O-])cn1	mol2520	Nc1ccc([N+](=O)[O-])cn1
2.8	AttenGpKa training set	1	0	Nc1ccc([N+](=O)[O-])c[nH+]1,[NH3+]c1ccc([N+](=O)[O-])cn1	Nc1ccc([N+](=O)[O-])cn1	mol2520	Nc1ccc([N+](=O)[O-])cn1