pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3	IUPAC digitized pKa	0	-1	CC(=O)CC(=O)C(F)(F)F	[CH2-]C(=O)CC(=O)C(F)(F)F,CC(=O)[CH-]C(=O)C(F)(F)F	mol9361	CC(=O)CC(=O)C(F)(F)F
6.09	Datawarrior	0	-1	CC(=O)CC(=O)C(F)(F)F	[CH2-]C(=O)CC(=O)C(F)(F)F,CC(=O)[CH-]C(=O)C(F)(F)F	mol9361	CC(=O)CC(=O)C(F)(F)F
6.0900002	OCHEM	0	-1	CC(=O)CC(=O)C(F)(F)F	[CH2-]C(=O)CC(=O)C(F)(F)F,CC(=O)[CH-]C(=O)C(F)(F)F	mol9361	CC(=O)CC(=O)C(F)(F)F
6.545	AttenGpKa training set	0	-1	CC(=O)CC(=O)C(F)(F)F	[CH2-]C(=O)CC(=O)C(F)(F)F,CC(=O)[CH-]C(=O)C(F)(F)F	mol9361	CC(=O)CC(=O)C(F)(F)F