pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.64	Datawarrior	0	-1	CC(C)(OO)c1ccccc1	CC(C)(O[O-])c1ccccc1	mol14100	CC(C)(OO)c1ccccc1
12.6000003814697	QSARToolbox	0	-1	CC(C)(OO)c1ccccc1	CC(C)(O[O-])c1ccccc1	mol14100	CC(C)(OO)c1ccccc1
12.6999998092651	QSARToolbox	0	-1	CC(C)(OO)c1ccccc1	CC(C)(O[O-])c1ccccc1	mol14100	CC(C)(OO)c1ccccc1
12.465	AttenGpKa training set	0	-1	CC(C)(OO)c1ccccc1	CC(C)(O[O-])c1ccccc1	mol14100	CC(C)(OO)c1ccccc1