pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.49	AttenGpKa training set	-3	-4	O=C([O-])c1nn(-c2ccc([S@](=O)O[O-])cc2)c(O)c1/N=N/c1ccc([S@@](=O)O[O-])cc1	O=C([O-])c1nn(-c2ccc([S@](=O)O[O-])cc2)c([O-])c1/N=N/c1ccc([S@@](=O)O[O-])cc1	mol31020	O=C(O)c1nn(-c2ccc(S(=O)OO)cc2)c(O)c1/N=N/c1ccc(S(=O)OO)cc1