pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79	AttenGpKa training set	0	-1	CC/[NH+]=C\c1ccc(S(=O)(=O)[O-])cc1O,CC/N=C\c1ccc(S(=O)(=O)O)cc1O	CC/N=C\c1ccc(S(=O)(=O)[O-])cc1O,CC/[NH+]=C\c1ccc(S(=O)(=O)[O-])cc1[O-]	mol30556	CC/N=C/c1ccc(S(=O)(=O)O)cc1O
11.1	AttenGpKa training set	-1	-2	CC/N=C\c1ccc(S(=O)(=O)[O-])cc1O,CC/[NH+]=C\c1ccc(S(=O)(=O)[O-])cc1[O-]	CC/N=C\c1ccc(S(=O)(=O)[O-])cc1[O-]	mol30556	CC/N=C/c1ccc(S(=O)(=O)O)cc1O