pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.09	Datawarrior	0	-1	O=c1cc(-c2ccccc2)oc2ccc(O)cc12	O=c1cc(-c2ccccc2)oc2ccc([O-])cc12	mol14804	O=c1cc(-c2ccccc2)oc2ccc(O)cc12
9.0900002	OCHEM	0	-1	O=c1cc(-c2ccccc2)oc2ccc(O)cc12	O=c1cc(-c2ccccc2)oc2ccc([O-])cc12	mol14804	O=c1cc(-c2ccccc2)oc2ccc(O)cc12
9.09000015258789	QSARToolbox	0	-1	O=c1cc(-c2ccccc2)oc2ccc(O)cc12	O=c1cc(-c2ccccc2)oc2ccc([O-])cc12	mol14804	O=c1cc(-c2ccccc2)oc2ccc(O)cc12
8.62	AttenGpKa training set	0	-1	O=c1cc(-c2ccccc2)oc2ccc(O)cc12	O=c1cc(-c2ccccc2)oc2ccc([O-])cc12	mol14804	O=c1cc(-c2ccccc2)oc2ccc(O)cc12