pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.71000003814697	QSARToolbox	1	0	c1ccc(C(=[NH+]Nc2ccc3ccccc3n2)c2ccccn2)nc1,c1ccc(C(=NNc2ccc3ccccc3n2)c2cccc[nH+]2)nc1,c1ccc(C(=N[NH2+]c2ccc3ccccc3n2)c2ccccn2)nc1,c1ccc(C(=NNc2ccc3ccccc3[nH+]2)c2ccccn2)nc1	c1ccc(C(=NNc2ccc3ccccc3n2)c2ccccn2)nc1	mol36466	c1ccc(C(=NNc2ccc3ccccc3n2)c2ccccn2)nc1
2.79999995231628	QSARToolbox	3	2	c1ccc(C(=N[NH2+]c2ccc3ccccc3[nH+]2)c2cccc[nH+]2)nc1,c1ccc(C(=[NH+][NH2+]c2ccc3ccccc3[nH+]2)c2ccccn2)nc1,c1ccc(C(=N[NH2+]c2ccc3ccccc3n2)c2cccc[nH+]2)[nH+]c1,c1ccc(C(=[NH+]Nc2ccc3ccccc3n2)c2cccc[nH+]2)[nH+]c1,c1ccc(C(=[NH+][NH2+]c2ccc3ccccc3n2)c2cccc[nH+]2)nc1,c1ccc(C(=NNc2ccc3ccccc3[nH+]2)c2cccc[nH+]2)[nH+]c1	c1ccc(C(=NNc2ccc3ccccc3[nH+]2)c2cccc[nH+]2)nc1,c1ccc(C(=NNc2ccc3ccccc3n2)c2cccc[nH+]2)[nH+]c1	mol36466	c1ccc(C(=NNc2ccc3ccccc3n2)c2ccccn2)nc1