pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	IUPAC digitized pKa	0	-1	Oc1ccccc1Cc1ccccc1O	[O-]c1ccccc1Cc1ccccc1O	mol801	Oc1ccccc1Cc1ccccc1O
7.8	OCHEM	0	-1	Oc1ccccc1Cc1ccccc1O	[O-]c1ccccc1Cc1ccccc1O	mol801	Oc1ccccc1Cc1ccccc1O
11.6	IUPAC digitized pKa	-1	-2	[O-]c1ccccc1Cc1ccccc1O	[O-]c1ccccc1Cc1ccccc1[O-]	mol801	Oc1ccccc1Cc1ccccc1O
11.3	OCHEM	-1	-2	[O-]c1ccccc1Cc1ccccc1O	[O-]c1ccccc1Cc1ccccc1[O-]	mol801	Oc1ccccc1Cc1ccccc1O
11.6000003814697	QSARToolbox	-1	-2	[O-]c1ccccc1Cc1ccccc1O	[O-]c1ccccc1Cc1ccccc1[O-]	mol801	Oc1ccccc1Cc1ccccc1O
