pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.85	AttenGpKa training set	0	-1	O=C(O)/C=C/S(=O)(=O)c1ccc(Br)cc1	O=C([O-])/C=C/S(=O)(=O)c1ccc(Br)cc1	mol23671	O=C(O)/C=C/S(=O)(=O)c1ccc(Br)cc1