pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.58	AttenGpKa training set	0	-1	O=Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1	O=Cc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1	mol22927	O=Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1
7.90999984741211	QSARToolbox	-1	-2	O=Cc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1	O=Cc1cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c1	mol22927	O=Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1
7.91	AttenGpKa training set	-1	-2	O=Cc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1	O=Cc1cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c1	mol22927	O=Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1