pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8299999	OCHEM	1	0	Cc1c[n+]([C@@H]2C[C@H](O)[C@H](CO)O2)c(O)nc1NCCc1ccccc1,Cc1c[n+]([C@@H]2C[C@H](O)[C@H](CO)O2)c([O-])nc1[NH2+]CCc1ccccc1	Cc1c[n+]([C@@H]2C[C@H](O)[C@H](CO)O2)c([O-])nc1NCCc1ccccc1	mol32365	Cc1c[n+](C2CC(O)C(CO)O2)c(O)nc1NCCc1ccccc1