pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.4000001	OCHEM	1	0	[NH3+]c1cccc2nn([C@H]3C[C@@H](O)[C@@H](CO)O3)nc12,Nc1cccc2[nH+]n([C@H]3C[C@@H](O)[C@@H](CO)O3)nc12,Nc1cccc2nn([C@H]3C[C@@H](O)[C@@H](CO)O3)[nH+]c12	Nc1cccc2nn([C@H]3C[C@@H](O)[C@@H](CO)O3)nc12	mol32773	Nc1cccc2nn(C3CC(O)C(CO)O3)nc12