pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.68	AttenGpKa training set	1	0	[NH3+]c1ccc([N+](=O)[O-])c(O)c1	Nc1ccc([N+](=O)[O-])c(O)c1	mol23754	Nc1ccc([N+](=O)[O-])c(O)c1