pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.58	IUPAC digitized pKa	1	0	""	NC(=O)c1ccc([N+](=O)[O-])cc1	mol3441	NC(=O)c1ccc([N+](=O)[O-])cc1
-3.276666667	AttenGpKa training set	1	0	""	NC(=O)c1ccc([N+](=O)[O-])cc1	mol3441	NC(=O)c1ccc([N+](=O)[O-])cc1