pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.74	IUPAC digitized pKa	1	0	C[NH2+]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol6053	CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
-4.855	AttenGpKa training set	1	0	C[NH2+]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol6053	CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]