pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	IUPAC digitized pKa	1	0	Cn1c[nH+]c2cc([N+](=O)[O-])ccc21	Cn1cnc2cc([N+](=O)[O-])ccc21	mol4529	Cn1cnc2cc([N+](=O)[O-])ccc21
3.28	OCHEM	1	0	Cn1c[nH+]c2cc([N+](=O)[O-])ccc21	Cn1cnc2cc([N+](=O)[O-])ccc21	mol4529	Cn1cnc2cc([N+](=O)[O-])ccc21
3.66	AttenGpKa training set	1	0	Cn1c[nH+]c2cc([N+](=O)[O-])ccc21	Cn1cnc2cc([N+](=O)[O-])ccc21	mol4529	Cn1cnc2cc([N+](=O)[O-])ccc21