pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.16	Datawarrior	-1	-2	[O-]c1cccc2c1-c1c(O)cccc1-2	[O-]c1cccc2c1-c1c([O-])cccc1-2	mol15108	Oc1cccc2c1-c1c(O)cccc1-2
11.0	Datawarrior	-1	-2	[O-]c1cccc2c1-c1c(O)cccc1-2	[O-]c1cccc2c1-c1c([O-])cccc1-2	mol15108	Oc1cccc2c1-c1c(O)cccc1-2
8.1599998	OCHEM	-1	-2	[O-]c1cccc2c1-c1c(O)cccc1-2	[O-]c1cccc2c1-c1c([O-])cccc1-2	mol15108	Oc1cccc2c1-c1c(O)cccc1-2
8.3100004196167	QSARToolbox	-1	-2	[O-]c1cccc2c1-c1c(O)cccc1-2	[O-]c1cccc2c1-c1c([O-])cccc1-2	mol15108	Oc1cccc2c1-c1c(O)cccc1-2
8.01000022888184	QSARToolbox	-1	-2	[O-]c1cccc2c1-c1c(O)cccc1-2	[O-]c1cccc2c1-c1c([O-])cccc1-2	mol15108	Oc1cccc2c1-c1c(O)cccc1-2
8.01	AttenGpKa training set	-1	-2	[O-]c1cccc2c1-c1c(O)cccc1-2	[O-]c1cccc2c1-c1c([O-])cccc1-2	mol15108	Oc1cccc2c1-c1c(O)cccc1-2