pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	QSARToolbox	0	-1	CCOC(=O)[C@H](I)C(C)=O	[CH2-]C(=O)[C@@H](I)C(=O)OCC,CCOC(=O)[C-](I)C(C)=O	mol34371	CCOC(=O)C(I)C(C)=O