pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Baltruschat ChEMBL	1	0	CC(=O)N(C)C[C@H]1C[C@H](c2ccc(C[NH+]3CCCC3)c(Cl)c2)C1	CC(=O)N(C)C[C@H]1C[C@H](c2ccc(CN3CCCC3)c(Cl)c2)C1	mol18753	CC(=O)N(C)C[C@H]1C[C@H](c2ccc(CN3CCCC3)c(Cl)c2)C1