pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
16.5	IUPAC digitized pKa	0	-1	CC(=O)CCl	CC(=O)[CH-]Cl	mol9026	CC(=O)CCl
13.57	Datawarrior	0	-1	CC(=O)CCl	CC(=O)[CH-]Cl	mol9026	CC(=O)CCl
13.5699996948242	QSARToolbox	0	-1	CC(=O)CCl	CC(=O)[CH-]Cl	mol9026	CC(=O)CCl
14.71666667	AttenGpKa training set	0	-1	CC(=O)CCl	CC(=O)[CH-]Cl	mol9026	CC(=O)CCl