pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.91	Datawarrior	0	-1	COc1cc(/C=N/c2ncc3nc[nH]c3n2)ccc1O	COc1cc(/C=N/c2ncc3nc[nH]c3n2)ccc1[O-],COc1cc(/C=N/c2ncc3nc[n-]c3n2)ccc1O	mol14705	COc1cc(/C=N/c2ncc3nc[nH]c3n2)ccc1O
2.79	Datawarrior	1	0	COc1cc(/C=N/c2ncc3[nH+]c[nH]c3n2)ccc1O,COc1cc(/C=N/c2ncc3nc[nH]c3[nH+]2)ccc1O,COc1cc(/C=N/c2nc3[nH]cnc3c[nH+]2)ccc1O,COc1cc(/C=[NH+]/c2ncc3nc[nH]c3n2)ccc1O	COc1cc(/C=N/c2ncc3nc[nH]c3n2)ccc1O	mol14705	COc1cc(/C=N/c2ncc3nc[nH]c3n2)ccc1O