pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.73	Datawarrior	0	-1	CCC(CC)C(=O)O	CCC(CC)C(=O)[O-]	mol2577	CCC(CC)C(=O)O
4.71	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCC(CC)C(=O)O	CCC(CC)C(=O)[O-]	mol2577	CCC(CC)C(=O)O
4.75	QSARToolbox	0	-1	CCC(CC)C(=O)O	CCC(CC)C(=O)[O-]	mol2577	CCC(CC)C(=O)O
4.92999982833862	QSARToolbox	0	-1	CCC(CC)C(=O)O	CCC(CC)C(=O)[O-]	mol2577	CCC(CC)C(=O)O
4.71000003814697	QSARToolbox	0	-1	CCC(CC)C(=O)O	CCC(CC)C(=O)[O-]	mol2577	CCC(CC)C(=O)O