pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.47	Datawarrior	0	-1	Oc1ccc(OCc2ccccc2)cc1	[O-]c1ccc(OCc2ccccc2)cc1	mol15686	Oc1ccc(OCc2ccccc2)cc1
10.315	AttenGpKa training set	0	-1	Oc1ccc(OCc2ccccc2)cc1	[O-]c1ccc(OCc2ccccc2)cc1	mol15686	Oc1ccc(OCc2ccccc2)cc1
