pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCC(CCC)C(=O)O	CCCC(CCC)C(=O)[O-]	mol2581	CCCC(CCC)C(=O)O
4.95	OCHEM	0	-1	CCCC(CCC)C(=O)O	CCCC(CCC)C(=O)[O-]	mol2581	CCCC(CCC)C(=O)O
4.9	OCHEM	0	-1	CCCC(CCC)C(=O)O	CCCC(CCC)C(=O)[O-]	mol2581	CCCC(CCC)C(=O)O
4.8	Baltruschat ChEMBL	0	-1	CCCC(CCC)C(=O)O	CCCC(CCC)C(=O)[O-]	mol2581	CCCC(CCC)C(=O)O
4.59999990463257	QSARToolbox	0	-1	CCCC(CCC)C(=O)O	CCCC(CCC)C(=O)[O-]	mol2581	CCCC(CCC)C(=O)O