pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.01	IUPAC digitized pKa	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
9.91	IUPAC digitized pKa	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
9.97	IUPAC digitized pKa	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
9.85	IUPAC digitized pKa	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
9.82	IUPAC digitized pKa	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
9.93	Datawarrior	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
9.9300003	OCHEM	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
10.2	OCHEM	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
9.85000038146973	QSARToolbox	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
9.96000003814697	QSARToolbox	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
11.66	IUPAC digitized pKa	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
11.56	IUPAC digitized pKa	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
11.49	IUPAC digitized pKa	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
11.44	IUPAC digitized pKa	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
11.39	IUPAC digitized pKa	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
11.57	Datawarrior	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
10.85	Organic Oxygen Acids and Nitrogen Bases	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
11.4	OCHEM	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
11.3999996185303	QSARToolbox	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
10.8999996185303	QSARToolbox	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
11.48	AttenGpKa training set	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
10.325	AttenGpKa training set	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1