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]1CCC2(CC1)OOC1(OO2)[C@@H]2C[C@H]3C[C@H](C[C@@H]1C3)C2	CC(C)(N)CNC(=O)C[C@H]1CCC2(CC1)OOC1(OO2)[C@@H]2C[C@H]3C[C@H](C[C@@H]1C3)C2	mol17212	CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3