pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	AttenGpKa training set	0	-1	O=C(O)c1ccc([N+](=O)[O-])c(O)c1	O=C([O-])c1ccc([N+](=O)[O-])c(O)c1	mol22771	O=C(O)c1ccc([N+](=O)[O-])c(O)c1
7.30000019073486	QSARToolbox	-1	-2	O=C([O-])c1ccc([N+](=O)[O-])c(O)c1	O=C([O-])c1ccc([N+](=O)[O-])c([O-])c1	mol22771	O=C(O)c1ccc([N+](=O)[O-])c(O)c1