pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	IUPAC digitized pKa	0	-1	C[C@H](CCC(=O)O)c1ccccc1	C[C@H](CCC(=O)[O-])c1ccccc1	mol11520	CC(CCC(=O)O)c1ccccc1
4.69999980926514	QSARToolbox	0	-1	C[C@H](CCC(=O)O)c1ccccc1	C[C@H](CCC(=O)[O-])c1ccccc1	mol11520	CC(CCC(=O)O)c1ccccc1