pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.94999980926514	QSARToolbox	1	0	[NH3+]Cc1ccc(C(F)(F)F)cc1	NCc1ccc(C(F)(F)F)cc1	mol24280	NCc1ccc(C(F)(F)F)cc1
5.34999990463257	QSARToolbox	1	0	[NH3+]Cc1ccc(C(F)(F)F)cc1	NCc1ccc(C(F)(F)F)cc1	mol24280	NCc1ccc(C(F)(F)F)cc1
8.65	AttenGpKa training set	1	0	[NH3+]Cc1ccc(C(F)(F)F)cc1	NCc1ccc(C(F)(F)F)cc1	mol24280	NCc1ccc(C(F)(F)F)cc1