pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Baltruschat ChEMBL	1	0	CCN(C)C(=O)[C@H]1C[C@@H](c2ccc(C[NH+]3CCCC3)c(F)c2)C1	CCN(C)C(=O)[C@H]1C[C@@H](c2ccc(CN3CCCC3)c(F)c2)C1	mol18752	CCN(C)C(=O)[C@H]1C[C@@H](c2ccc(CN3CCCC3)c(F)c2)C1