pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	AttenGpKa training set	0	-1	NNS(=O)(=O)CCl	NNS(=O)(=O)[CH-]Cl,N[N-]S(=O)(=O)CCl	mol28300	NNS(=O)(=O)CCl