pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.64	Datawarrior	0	-1	N#C[C@@H](CCCC(=O)O)c1ccccc1	N#C[C@@H](CCCC(=O)[O-])c1ccccc1	mol14324	N#CC(CCCC(=O)O)c1ccccc1
4.6399999	OCHEM	0	-1	N#C[C@@H](CCCC(=O)O)c1ccccc1	N#C[C@@H](CCCC(=O)[O-])c1ccccc1	mol14324	N#CC(CCCC(=O)O)c1ccccc1
4.6399998664856	QSARToolbox	0	-1	N#C[C@@H](CCCC(=O)O)c1ccccc1	N#C[C@@H](CCCC(=O)[O-])c1ccccc1	mol14324	N#CC(CCCC(=O)O)c1ccccc1