pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.87	OCHEM	0	-1	COc1cccc(Oc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)c1	COc1cccc(Oc2cc([N+](=O)[O-])ccc2[N-]S(C)(=O)=O)c1	mol32060	COc1cccc(Oc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)c1