pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55	AttenGpKa training set	1	0	C[n+]1cccc(NS(C)(=O)=O)c1	C[n+]1cccc([N-]S(C)(=O)=O)c1	mol25108	C[n+]1cccc(NS(C)(=O)=O)c1