pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.3	AttenGpKa training set	0	-1	CN1c2ccccc2-c2ccccc2[C@@]1(O)c1ccccc1	CN1c2ccccc2-c2ccccc2[C@@]1([O-])c1ccccc1	mol30317	CN1c2ccccc2-c2ccccc2C1(O)c1ccccc1