pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.49	OCHEM	0	-1	CCS(=O)(=O)[C@@H](C)C(=O)O	CCS(=O)(=O)[C@@H](C)C(=O)[O-]	mol22362	CCS(=O)(=O)C(C)C(=O)O
2.49000000953674	QSARToolbox	0	-1	CCS(=O)(=O)[C@@H](C)C(=O)O	CCS(=O)(=O)[C@@H](C)C(=O)[O-]	mol22362	CCS(=O)(=O)C(C)C(=O)O
2.55999994277954	QSARToolbox	0	-1	CCS(=O)(=O)[C@@H](C)C(=O)O	CCS(=O)(=O)[C@@H](C)C(=O)[O-]	mol22362	CCS(=O)(=O)C(C)C(=O)O
2.45	AttenGpKa training set	0	-1	CCS(=O)(=O)[C@@H](C)C(=O)O	CCS(=O)(=O)[C@@H](C)C(=O)[O-]	mol22362	CCS(=O)(=O)C(C)C(=O)O