pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	OCHEM	1	0	O=S(=O)(CC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1	O=S(=O)(CC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc([O-])cc1,O=S(=O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1	mol272	O=S(=O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1