pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.89	Datawarrior	1	0	COc1ccc(S(=O)(=O)CC[NH+]2CCOCC2)c(OC)c1OC	COc1ccc(S(=O)(=O)CCN2CCOCC2)c(OC)c1OC	mol15617	COc1ccc(S(=O)(=O)CCN2CCOCC2)c(OC)c1OC
4.8899999	OCHEM	1	0	COc1ccc(S(=O)(=O)CC[NH+]2CCOCC2)c(OC)c1OC	COc1ccc(S(=O)(=O)CCN2CCOCC2)c(OC)c1OC	mol15617	COc1ccc(S(=O)(=O)CCN2CCOCC2)c(OC)c1OC