pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Datawarrior	1	0	CC[NH+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(OC)c1OC	CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(OC)c1OC	mol14644	CCN1CCCC1CNS(=O)(=O)c1ccc(OC)c(OC)c1OC
8.6999998	OCHEM	1	0	CC[NH+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(OC)c1OC	CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(OC)c1OC	mol14644	CCN1CCCC1CNS(=O)(=O)c1ccc(OC)c(OC)c1OC