pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	OCHEM	0	-1	NS(=O)(=O)c1cc(C(=O)[O-])cc([NH+]2CCCC2)c1Oc1ccccc1,NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1,[NH3+]S(=O)(=O)c1cc(C(=O)[O-])cc(N2CCCC2)c1Oc1ccccc1	NS(=O)(=O)c1cc(C(=O)[O-])cc(N2CCCC2)c1Oc1ccccc1	mol31918	NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1