pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3200002	OCHEM	1	0	Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]([OH2+])[C@@H]1O,Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](CO)[C@@H]([OH2+])[C@@H](O)[C@@H]1O,Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1[OH2+],Cc1ccc2c(c1)[nH+]cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](C[OH2+])[C@@H](O)[C@@H](O)[C@@H]1O	Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	mol32626	Cc1ccc2c(c1)ncn2C1OC(CO)C(O)C(O)C1O