pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	AttenGpKa training set	0	-1	O=C(O)c1cnn(-c2ccccc2)c1	O=C([O-])c1cnn(-c2ccccc2)c1	mol11297	O=C(O)c1cnn(-c2ccccc2)c1