pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	IUPAC digitized pKa	0	-1	COc1cc(OC)cc(C(=O)O)c1	COc1cc(OC)cc(C(=O)[O-])c1	mol10895	COc1cc(OC)cc(C(=O)O)c1
3.95	IUPAC digitized pKa	0	-1	COc1cc(OC)cc(C(=O)O)c1	COc1cc(OC)cc(C(=O)[O-])c1	mol10895	COc1cc(OC)cc(C(=O)O)c1
3.92	IUPAC digitized pKa	0	-1	COc1cc(OC)cc(C(=O)O)c1	COc1cc(OC)cc(C(=O)[O-])c1	mol10895	COc1cc(OC)cc(C(=O)O)c1
3.9	IUPAC digitized pKa	0	-1	COc1cc(OC)cc(C(=O)O)c1	COc1cc(OC)cc(C(=O)[O-])c1	mol10895	COc1cc(OC)cc(C(=O)O)c1
3.87	IUPAC digitized pKa	0	-1	COc1cc(OC)cc(C(=O)O)c1	COc1cc(OC)cc(C(=O)[O-])c1	mol10895	COc1cc(OC)cc(C(=O)O)c1
3.97000002861023	QSARToolbox	0	-1	COc1cc(OC)cc(C(=O)O)c1	COc1cc(OC)cc(C(=O)[O-])c1	mol10895	COc1cc(OC)cc(C(=O)O)c1