pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.994	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.02	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.97	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.9	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.78	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.66	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.55	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.86	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.98	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.8	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.04	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.79	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.85	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.0	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.62	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.334	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.248	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.167	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.091	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.952	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.853	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.92	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.74	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.69	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.64	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.59	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.54	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.49	IUPAC digitized pKa	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.99	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.9399995803833	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.98999977111816	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.94999980926514	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.89999961853027	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
12.4399995803833	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.96000003814697	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
11.2200002670288	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.6400003433228	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.90999984741211	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.55000019073486	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.0200004577637	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.6199998855591	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.88000011444092	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
11.210000038147	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.4499998092651	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.8999996185303	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.2399997711182	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.2600002288818	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.92000007629395	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.6899995803833	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
11.5100002288818	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.4799995422363	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.97000026702881	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.0100002288818	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.8100004196167	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.81999969482422	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
13.3800001144409	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.97999954223633	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
9.85999965667725	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
13.5200004577637	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.1700000762939	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
11.1199998855591	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.4399995803833	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
12.5	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
11.5500001907349	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
12.0299997329712	QSARToolbox	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1