pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.75	QSARToolbox	1	0	Nc1[nH+]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1O,Nc1nc(=[OH+])n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1O,[NH3+]c1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1O,Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](C[OH2+])O2)cc1O	Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1O	mol38023	Nc1nc(=O)n(C2CC(O)C(CO)O2)cc1O