pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.28	OCHEM	1	0	[NH3+]c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	mol6067	Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
-2.25	QSARToolbox	1	0	[NH3+]c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	mol6067	Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
-2.30999994277954	QSARToolbox	1	0	[NH3+]c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	mol6067	Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
-2.435	AttenGpKa training set	1	0	[NH3+]c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	mol6067	Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]