pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.69000005722046	QSARToolbox	1	0	Clc1ccc(N/N=C/c2ccccn2)[nH+]c1,Clc1ccc([NH2+]/N=C/c2ccccn2)nc1,Clc1ccc(N/N=C/c2cccc[nH+]2)nc1,Clc1ccc(N/[NH+]=C/c2ccccn2)nc1	Clc1ccc(N/N=C/c2ccccn2)nc1	mol36197	Clc1ccc(N/N=C/c2ccccn2)nc1
2.0699999332428	QSARToolbox	2	1	Clc1ccc([NH2+]/N=C/c2cccc[nH+]2)nc1,Clc1ccc(N/[NH+]=C/c2ccccn2)[nH+]c1,Clc1ccc(N/N=C/c2cccc[nH+]2)[nH+]c1,Clc1ccc([NH2+]/[NH+]=C/c2ccccn2)nc1,Clc1ccc([NH2+]/N=C/c2ccccn2)[nH+]c1,Clc1ccc(N/[NH+]=C/c2cccc[nH+]2)nc1	Clc1ccc(N/N=C/c2ccccn2)[nH+]c1,Clc1ccc([NH2+]/N=C/c2ccccn2)nc1,Clc1ccc(N/N=C/c2cccc[nH+]2)nc1,Clc1ccc(N/[NH+]=C/c2ccccn2)nc1	mol36197	Clc1ccc(N/N=C/c2ccccn2)nc1