pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.37	Datawarrior	0	-1	O=C(O)c1ccc(F)c([N+](=O)[O-])c1	O=C([O-])c1ccc(F)c([N+](=O)[O-])c1	mol13913	O=C(O)c1ccc(F)c([N+](=O)[O-])c1
3.3699999	OCHEM	0	-1	O=C(O)c1ccc(F)c([N+](=O)[O-])c1	O=C([O-])c1ccc(F)c([N+](=O)[O-])c1	mol13913	O=C(O)c1ccc(F)c([N+](=O)[O-])c1
3.36999988555908	QSARToolbox	0	-1	O=C(O)c1ccc(F)c([N+](=O)[O-])c1	O=C([O-])c1ccc(F)c([N+](=O)[O-])c1	mol13913	O=C(O)c1ccc(F)c([N+](=O)[O-])c1
3.54	AttenGpKa training set	0	-1	O=C(O)c1ccc(F)c([N+](=O)[O-])c1	O=C([O-])c1ccc(F)c([N+](=O)[O-])c1	mol13913	O=C(O)c1ccc(F)c([N+](=O)[O-])c1