pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.51	AttenGpKa training set	0	-1	O=C1NCCS(=O)(=O)N1	O=C1[N-]S(=O)(=O)CCN1	mol28303	O=C1NCCS(=O)(=O)N1