pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.54999995231628	QSARToolbox	0	-1	COC(=O)NS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1	COC(=O)[N-]S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1	mol36612	COC(=O)NS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1