pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.5599999	OCHEM	2	1	Oc1ccc([NH+]=[NH+]c2nccs2)c(O)c1,[O-]c1ccc([NH+]=[NH+]c2[nH+]ccs2)c(O)c1,[O-]c1cc(O)ccc1[NH+]=[NH+]c1[nH+]ccs1	Oc1ccc(N=[NH+]c2nccs2)c(O)c1,Oc1ccc([NH+]=Nc2nccs2)c(O)c1,Oc1ccc(N=Nc2[nH+]ccs2)c(O)c1	mol32481	Oc1ccc(N=Nc2nccs2)c(O)c1
1.55999994277954	QSARToolbox	2	1	Oc1ccc([NH+]=[NH+]c2nccs2)c(O)c1,[O-]c1ccc([NH+]=[NH+]c2[nH+]ccs2)c(O)c1,[O-]c1cc(O)ccc1[NH+]=[NH+]c1[nH+]ccs1	Oc1ccc(N=[NH+]c2nccs2)c(O)c1,Oc1ccc([NH+]=Nc2nccs2)c(O)c1,Oc1ccc(N=Nc2[nH+]ccs2)c(O)c1	mol32481	Oc1ccc(N=Nc2nccs2)c(O)c1