pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.6999998092651	QSARToolbox	0	-1	CC(C)(C)c1cc(O)ccc1O	CC(C)(C)c1cc(O)ccc1[O-],CC(C)(C)c1cc([O-])ccc1O	mol30568	CC(C)(C)c1cc(O)ccc1O
10.7	AttenGpKa training set	0	-1	CC(C)(C)c1cc(O)ccc1O	CC(C)(C)c1cc(O)ccc1[O-],CC(C)(C)c1cc([O-])ccc1O	mol30568	CC(C)(C)c1cc(O)ccc1O
13.6	AttenGpKa training set	-1	-2	CC(C)(C)c1cc(O)ccc1[O-],CC(C)(C)c1cc([O-])ccc1O	CC(C)(C)c1cc([O-])ccc1[O-]	mol30568	CC(C)(C)c1cc(O)ccc1O