pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.05000019073486	QSARToolbox	0	-1	C[C@@H](CC(=O)O)C(F)(F)F	C[C@@H](CC(=O)[O-])C(F)(F)F	mol22324	CC(CC(=O)O)C(F)(F)F
4.05	AttenGpKa training set	0	-1	C[C@@H](CC(=O)O)C(F)(F)F	C[C@@H](CC(=O)[O-])C(F)(F)F	mol22324	CC(CC(=O)O)C(F)(F)F