pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.3	Datawarrior	0	-1	CC(C)(C)C(=O)C(=O)O	CC(C)(C)C(=O)C(=O)[O-]	mol13483	CC(C)(C)C(=O)C(=O)O
2.29999995231628	QSARToolbox	0	-1	CC(C)(C)C(=O)C(=O)O	CC(C)(C)C(=O)C(=O)[O-]	mol13483	CC(C)(C)C(=O)C(=O)O
1.52	AttenGpKa training set	0	-1	CC(C)(C)C(=O)C(=O)O	CC(C)(C)C(=O)C(=O)[O-]	mol13483	CC(C)(C)C(=O)C(=O)O