pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55999994277954	QSARToolbox	0	-1	COC(=O)CCC(=O)O	COC(=O)CCC(=O)[O-]	mol22531	COC(=O)CCC(=O)O
4.26	AttenGpKa training set	0	-1	COC(=O)CCC(=O)O	COC(=O)CCC(=O)[O-]	mol22531	COC(=O)CCC(=O)O