pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	OCHEM	0	-1	C[C@@H](O)CCC(=O)O	C[C@@H](O)CCC(=O)[O-]	mol22218	CC(O)CCC(=O)O
4.96000003814697	QSARToolbox	0	-1	C[C@@H](O)CCC(=O)O	C[C@@H](O)CCC(=O)[O-]	mol22218	CC(O)CCC(=O)O
4.69	AttenGpKa training set	0	-1	C[C@@H](O)CCC(=O)O	C[C@@H](O)CCC(=O)[O-]	mol22218	CC(O)CCC(=O)O