pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.22	Baltruschat ChEMBL	1	0	[NH3+]c1ccn([C@H]2C[C@@H](F)[C@@H](CO)O2)c(=O)n1,Nc1ccn([C@H]2C[C@@H](F)[C@@H](CO)O2)c(=O)[nH+]1	Nc1ccn([C@H]2C[C@@H](F)[C@@H](CO)O2)c(=O)n1	mol18965	Nc1ccn(C2CC(F)C(CO)O2)c(=O)n1