pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2200003	OCHEM	0	-1	Nc1n[nH]c(N)c1N=Nc1ccccc1O	Nc1n[nH]c(N)c1N=Nc1ccccc1[O-],Nc1n[n-]c(N)c1N=Nc1ccccc1O	mol32460	Nc1n[nH]c(N)c1N=Nc1ccccc1O
3.51	OCHEM	2	1	Nc1n[nH]c(N)c1[NH+]=[NH+]c1ccccc1O,Nc1[nH]nc([NH3+])c1[NH+]=[NH+]c1ccccc1[O-],Nc1n[nH]c([NH3+])c1N=[NH+]c1ccccc1O,[NH3+]c1n[nH]c([NH3+])c1N=Nc1ccccc1O,Nc1[nH]nc([NH3+])c1N=[NH+]c1ccccc1O,Nc1n[nH]c([NH3+])c1[NH+]=[NH+]c1ccccc1[O-]	Nc1[nH][nH+]c(N)c1N=Nc1ccccc1O,Nc1n[nH]c(N)c1N=[NH+]c1ccccc1O,Nc1[nH]nc([NH3+])c1N=Nc1ccccc1O,Nc1n[nH]c(N)c1[NH+]=Nc1ccccc1O,Nc1n[nH]c([NH3+])c1N=Nc1ccccc1O	mol32460	Nc1n[nH]c(N)c1N=Nc1ccccc1O