pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.98999977111816	QSARToolbox	1	0	Cc1ccc(N/[NH+]=C/c2ccccn2)nc1,Cc1ccc(N/N=C/c2ccccn2)[nH+]c1,Cc1ccc(N/N=C/c2cccc[nH+]2)nc1,Cc1ccc([NH2+]/N=C/c2ccccn2)nc1	Cc1ccc(N/N=C/c2ccccn2)nc1	mol35574	Cc1ccc(N/N=C/c2ccccn2)nc1
3.27999997138977	QSARToolbox	2	1	Cc1ccc([NH2+]/[NH+]=C/c2ccccn2)nc1,Cc1ccc([NH2+]/N=C/c2ccccn2)[nH+]c1,Cc1ccc(N/[NH+]=C/c2cccc[nH+]2)nc1,Cc1ccc(N/N=C/c2cccc[nH+]2)[nH+]c1,Cc1ccc([NH2+]/N=C/c2cccc[nH+]2)nc1	Cc1ccc(N/[NH+]=C/c2ccccn2)nc1,Cc1ccc(N/N=C/c2ccccn2)[nH+]c1,Cc1ccc(N/N=C/c2cccc[nH+]2)nc1,Cc1ccc([NH2+]/N=C/c2ccccn2)nc1	mol35574	Cc1ccc(N/N=C/c2ccccn2)nc1