pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.30999994277954	QSARToolbox	1	0	Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH+]1,[NH3+]c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,Nc1ccn([C@H]2C[C@H](O)[C@@H](C[OH2+])O2)c(=O)n1	Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	mol34091	Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1