pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.03000020980835	QSARToolbox	1	0	Cc1cccc(/C=[NH+]/Nc2ccccn2)n1,Cc1cccc(/C=N/Nc2cccc[nH+]2)n1,Cc1cccc(/C=N/Nc2ccccn2)[nH+]1,Cc1cccc(/C=N/[NH2+]c2ccccn2)n1	Cc1cccc(/C=N/Nc2ccccn2)n1	mol35807	Cc1cccc(/C=N/Nc2ccccn2)n1
3.83999991416931	QSARToolbox	2	1	Cc1cccc(/C=N/[NH2+]c2ccccn2)[nH+]1,Cc1cccc(/C=N/[NH2+]c2cccc[nH+]2)n1,Cc1cccc(/C=[NH+]/Nc2cccc[nH+]2)n1,Cc1cccc(/C=N/Nc2cccc[nH+]2)[nH+]1,Cc1cccc(/C=[NH+]/Nc2ccccn2)[nH+]1,Cc1cccc(/C=[NH+]/[NH2+]c2ccccn2)n1	Cc1cccc(/C=[NH+]/Nc2ccccn2)n1,Cc1cccc(/C=N/Nc2cccc[nH+]2)n1,Cc1cccc(/C=N/Nc2ccccn2)[nH+]1,Cc1cccc(/C=N/[NH2+]c2ccccn2)n1	mol35807	Cc1cccc(/C=N/Nc2ccccn2)n1