pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.05	Baltruschat ChEMBL	1	0	CC(C)([NH3+])CNC(=O)C[C@H]1CC[C@]2(CC1)OO[C@]1(O2)[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3	CC(C)(N)CNC(=O)C[C@H]1CC[C@]2(CC1)OO[C@]1(O2)[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3	mol17209	CC(C)(N)CNC(=O)C[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3