pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-6.31	IUPAC digitized pKa	1	0	C[NH+](c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol6055	CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
-6.19	AttenGpKa training set	1	0	C[NH+](c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol6055	CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]