pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.49	AttenGpKa training set	0	-1	CC(OO)(c1ccccc1)c1ccccc1	CC(O[O-])(c1ccccc1)c1ccccc1	mol31379	CC(OO)(c1ccccc1)c1ccccc1