pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	AttenGpKa training set	0	-1	COc1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC	COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1OC	mol28813	COc1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC