pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.87	IUPAC digitized pKa	1	0	Cc1ccc([NH2+][C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	Cc1ccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	mol8631	Cc1ccc(NC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1