pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.76	Datawarrior	1	0	COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c(OC)c1OC	COc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(OC)c1OC	mol15312	COc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(OC)c1OC
6.7600002	OCHEM	1	0	COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c(OC)c1OC	COc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(OC)c1OC	mol15312	COc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(OC)c1OC