pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.64	Datawarrior	0	-1	NC(=O)[C@H](CCC(=O)O)c1ccccc1	NC(=O)[C@H](CCC(=O)[O-])c1ccccc1	mol14344	NC(=O)C(CCC(=O)O)c1ccccc1
4.6399999	OCHEM	0	-1	NC(=O)[C@H](CCC(=O)O)c1ccccc1	NC(=O)[C@H](CCC(=O)[O-])c1ccccc1	mol14344	NC(=O)C(CCC(=O)O)c1ccccc1
4.6399998664856	QSARToolbox	0	-1	NC(=O)[C@H](CCC(=O)O)c1ccccc1	NC(=O)[C@H](CCC(=O)[O-])c1ccccc1	mol14344	NC(=O)C(CCC(=O)O)c1ccccc1