pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	Datawarrior	0	-1	C=CCOc1ccc(C(=O)O)cc1	C=CCOc1ccc(C(=O)[O-])cc1	mol13858	C=CCOc1ccc(C(=O)O)cc1
4.4499998	OCHEM	0	-1	C=CCOc1ccc(C(=O)O)cc1	C=CCOc1ccc(C(=O)[O-])cc1	mol13858	C=CCOc1ccc(C(=O)O)cc1
4.44999980926514	QSARToolbox	0	-1	C=CCOc1ccc(C(=O)O)cc1	C=CCOc1ccc(C(=O)[O-])cc1	mol13858	C=CCOc1ccc(C(=O)O)cc1