pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.74	Baltruschat ChEMBL	1	0	CC(=[NH2+])N1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12	CC(=N)N1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12	mol18927	CC(=N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12