pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47	Datawarrior	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
9.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
9.4700003	OCHEM	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
9.5	Baltruschat ChEMBL	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
9.39999961853027	QSARToolbox	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
9.55000019073486	QSARToolbox	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
9.51000022888184	QSARToolbox	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
9.23999977111816	QSARToolbox	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
9.496666667	AttenGpKa training set	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1