pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.07	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc(O)cc1C(F)(F)F	O=[N+]([O-])c1ccc([O-])cc1C(F)(F)F	mol682	O=[N+]([O-])c1ccc(O)cc1C(F)(F)F
6.07000017166138	QSARToolbox	0	-1	O=[N+]([O-])c1ccc(O)cc1C(F)(F)F	O=[N+]([O-])c1ccc([O-])cc1C(F)(F)F	mol682	O=[N+]([O-])c1ccc(O)cc1C(F)(F)F
6.38	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccc(O)cc1C(F)(F)F	O=[N+]([O-])c1ccc([O-])cc1C(F)(F)F	mol682	O=[N+]([O-])c1ccc(O)cc1C(F)(F)F