pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.79	Datawarrior	0	-1	NC(=O)[C@@H](CCCCC(=O)O)c1ccccc1	NC(=O)[C@@H](CCCCC(=O)[O-])c1ccccc1	mol15261	NC(=O)C(CCCCC(=O)O)c1ccccc1
4.78999996185303	QSARToolbox	0	-1	NC(=O)[C@@H](CCCCC(=O)O)c1ccccc1	NC(=O)[C@@H](CCCCC(=O)[O-])c1ccccc1	mol15261	NC(=O)C(CCCCC(=O)O)c1ccccc1