pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.53	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1c[nH+]c([N+](=O)[O-])c1	Cn1cnc([N+](=O)[O-])c1	mol3916	Cn1cnc([N+](=O)[O-])c1
-0.529999971389771	QSARToolbox	1	0	Cn1c[nH+]c([N+](=O)[O-])c1	Cn1cnc([N+](=O)[O-])c1	mol3916	Cn1cnc([N+](=O)[O-])c1