pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	IUPAC digitized pKa	0	-1	C[C@H](Cl)CCC(=O)O	C[C@H](Cl)CCC(=O)[O-]	mol9429	CC(Cl)CCC(=O)O
4.40000009536743	QSARToolbox	0	-1	C[C@H](Cl)CCC(=O)O	C[C@H](Cl)CCC(=O)[O-]	mol9429	CC(Cl)CCC(=O)O
