pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.74	IUPAC digitized pKa	1	0	CNc1ccc([N+](=O)[O-])c[nH+]1,C[NH2+]c1ccc([N+](=O)[O-])cn1	CNc1ccc([N+](=O)[O-])cn1	mol6521	CNc1ccc([N+](=O)[O-])cn1
2.79	AttenGpKa training set	1	0	CNc1ccc([N+](=O)[O-])c[nH+]1,C[NH2+]c1ccc([N+](=O)[O-])cn1	CNc1ccc([N+](=O)[O-])cn1	mol6521	CNc1ccc([N+](=O)[O-])cn1