pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.171	IUPAC digitized pKa	0	-1	[NH3+][C@@H](CC(F)(F)F)C(=O)[O-]	N[C@@H](CC(F)(F)F)C(=O)[O-]	mol5269	NC(CC(F)(F)F)C(=O)O
8.2	OCHEM	0	-1	[NH3+][C@@H](CC(F)(F)F)C(=O)[O-]	N[C@@H](CC(F)(F)F)C(=O)[O-]	mol5269	NC(CC(F)(F)F)C(=O)O
8.16899967193604	QSARToolbox	0	-1	[NH3+][C@@H](CC(F)(F)F)C(=O)[O-]	N[C@@H](CC(F)(F)F)C(=O)[O-]	mol5269	NC(CC(F)(F)F)C(=O)O
1.6	IUPAC digitized pKa	1	0	[NH3+][C@@H](CC(F)(F)F)C(=O)O	[NH3+][C@@H](CC(F)(F)F)C(=O)[O-]	mol5269	NC(CC(F)(F)F)C(=O)O
1.60000002384186	QSARToolbox	1	0	[NH3+][C@@H](CC(F)(F)F)C(=O)O	[NH3+][C@@H](CC(F)(F)F)C(=O)[O-]	mol5269	NC(CC(F)(F)F)C(=O)O