pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.01	Datawarrior	0	-1	OC(O)=C1c2ccccc2-c2ccccc21	[O-]C(O)=C1c2ccccc2-c2ccccc21	mol14483	OC(O)=C1c2ccccc2-c2ccccc21
2.00999999046326	QSARToolbox	0	-1	OC(O)=C1c2ccccc2-c2ccccc21	[O-]C(O)=C1c2ccccc2-c2ccccc21	mol14483	OC(O)=C1c2ccccc2-c2ccccc21
2.105	AttenGpKa training set	0	-1	OC(O)=C1c2ccccc2-c2ccccc21	[O-]C(O)=C1c2ccccc2-c2ccccc21	mol14483	OC(O)=C1c2ccccc2-c2ccccc21
9.61	Datawarrior	-1	-2	[O-]C(O)=C1c2ccccc2-c2ccccc21	[O-]C([O-])=C1c2ccccc2-c2ccccc21	mol14483	OC(O)=C1c2ccccc2-c2ccccc21
9.605	AttenGpKa training set	-1	-2	[O-]C(O)=C1c2ccccc2-c2ccccc21	[O-]C([O-])=C1c2ccccc2-c2ccccc21	mol14483	OC(O)=C1c2ccccc2-c2ccccc21