pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.84	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@@H](Cl)C(=O)O	CC[C@@H](Cl)C(=O)[O-]	mol21796	CCC(Cl)C(=O)O
2.97	OCHEM	0	-1	CC[C@@H](Cl)C(=O)O	CC[C@@H](Cl)C(=O)[O-]	mol21796	CCC(Cl)C(=O)O
2.85999989509583	QSARToolbox	0	-1	CC[C@@H](Cl)C(=O)O	CC[C@@H](Cl)C(=O)[O-]	mol21796	CCC(Cl)C(=O)O
2.97000002861023	QSARToolbox	0	-1	CC[C@@H](Cl)C(=O)O	CC[C@@H](Cl)C(=O)[O-]	mol21796	CCC(Cl)C(=O)O
2.92	AttenGpKa training set	0	-1	CC[C@@H](Cl)C(=O)O	CC[C@@H](Cl)C(=O)[O-]	mol21796	CCC(Cl)C(=O)O