pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.37	Baltruschat ChEMBL	0	-1	C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O	C[C@]12CC[C@@H]3c4ccc(OS([NH-])(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O	mol17243	C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O