pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.92	Baltruschat ChEMBL	1	0	CC(=[NH2+])N1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	CC(=N)N1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	mol18928	CC(=N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2