pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	AttenGpKa training set	0	-1	O=c1ccn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1	O=c1ccn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n-]1	mol29620	O=c1ccn(C2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1