pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.75	IUPAC digitized pKa	1	0	CN(C)c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH+]1,C[NH+](C)c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	CN(C)c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	mol5506	CN(C)c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1