pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Baltruschat ChEMBL	1	0	CC(C)C[C@H]([NH3+])C(=O)NCCCS(=O)(=O)Oc1ccc(C(F)(F)F)cc1	CC(C)C[C@H](N)C(=O)NCCCS(=O)(=O)Oc1ccc(C(F)(F)F)cc1	mol18808	CC(C)C[C@H](N)C(=O)NCCCS(=O)(=O)Oc1ccc(C(F)(F)F)cc1