pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.29999995231628	QSARToolbox	0	-1	CC[C@@H](C)C(=O)C(=O)O	CC[C@@H](C)C(=O)C(=O)[O-]	mol22245	CCC(C)C(=O)C(=O)O
2.3	AttenGpKa training set	0	-1	CC[C@@H](C)C(=O)C(=O)O	CC[C@@H](C)C(=O)C(=O)[O-]	mol22245	CCC(C)C(=O)C(=O)O