pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Hunt	1	0	CC[NH+]1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	mol579	CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC