pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
15.4	IUPAC digitized pKa	0	-1	OCCO	[O-]CCO	mol8933	OCCO
15.1	IUPAC digitized pKa	0	-1	OCCO	[O-]CCO	mol8933	OCCO
14.04	Datawarrior	0	-1	OCCO	[O-]CCO	mol8933	OCCO
14.22	OCHEM	0	-1	OCCO	[O-]CCO	mol8933	OCCO
15.55	OCHEM	0	-1	OCCO	[O-]CCO	mol8933	OCCO
14.0	QSARToolbox	0	-1	OCCO	[O-]CCO	mol8933	OCCO
14.8000001907349	QSARToolbox	0	-1	OCCO	[O-]CCO	mol8933	OCCO
15.1000003814697	QSARToolbox	0	-1	OCCO	[O-]CCO	mol8933	OCCO
14.039999961853	QSARToolbox	0	-1	OCCO	[O-]CCO	mol8933	OCCO
15.3999996185303	QSARToolbox	0	-1	OCCO	[O-]CCO	mol8933	OCCO
14.77	AttenGpKa training set	0	-1	OCCO	[O-]CCO	mol8933	OCCO