pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	Baltruschat ChEMBL	1	0	[NH3+]c1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)[nH+]1	Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1	mol18966	Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1