pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.91999995708466	QSARToolbox	0	-1	O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccc(Cl)cc1	O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccc(Cl)cc1	mol36374	O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccc(Cl)cc1