pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	OCHEM	1	0	NS(=O)(=O)c1cc2cc(C(=O)NCC[NH+]3CCOCC3)sc2s1	NS(=O)(=O)c1cc2cc(C(=O)NCCN3CCOCC3)sc2s1	mol16632	NS(=O)(=O)c1cc2cc(C(=O)NCCN3CCOCC3)sc2s1