pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	AttenGpKa training set	0	-1	O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	mol29940	O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1