pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.345	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.517	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.458	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.402	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.292	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.237	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.185	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.136	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.086	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.038	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
8.988	IUPAC digitized pKa	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.35	OCHEM	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.34000015258789	QSARToolbox	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1