pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	O=C([O-])Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol2130	O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
3.502	Hunt	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	O=C([O-])Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol2130	O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
3.49	AttenGpKa training set	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	O=C([O-])Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol2130	O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]