pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.21000003814697	QSARToolbox	2	1	c1ccc([NH2+][NH+]=C(c2ccccn2)c2ccccn2)cc1,c1ccc(NN=C(c2cccc[nH+]2)c2cccc[nH+]2)cc1,c1ccc([NH2+]N=C(c2ccccn2)c2cccc[nH+]2)cc1	c1ccc([NH2+]N=C(c2ccccn2)c2ccccn2)cc1,c1ccc(NN=C(c2ccccn2)c2cccc[nH+]2)cc1,c1ccc(N[NH+]=C(c2ccccn2)c2ccccn2)cc1	mol36467	c1ccc(NN=C(c2ccccn2)c2ccccn2)cc1