pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	AttenGpKa training set	0	-1	O=S(=O)(NCl)c1ccc(Cl)cc1	O=S(=O)([N-]Cl)c1ccc(Cl)cc1	mol28408	O=S(=O)(NCl)c1ccc(Cl)cc1