pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.65	OCHEM	0	-1	C[C@@H](O[C@@H]1CCCC[C@@H]1C)C(=O)O	C[C@@H](O[C@@H]1CCCC[C@@H]1C)C(=O)[O-]	mol33007	CC(OC1CCCCC1C)C(=O)O
3.65000009536743	QSARToolbox	0	-1	C[C@@H](O[C@@H]1CCCC[C@@H]1C)C(=O)O	C[C@@H](O[C@@H]1CCCC[C@@H]1C)C(=O)[O-]	mol33007	CC(OC1CCCCC1C)C(=O)O