pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.05000019073486	QSARToolbox	1	0	C(=[NH+]/Nc1ccccn1)\c1nccc2ccccc12,C(=N/Nc1cccc[nH+]1)\c1nccc2ccccc12,C(=N/[NH2+]c1ccccn1)\c1nccc2ccccc12,C(=N/Nc1ccccn1)\c1[nH+]ccc2ccccc12	C(=N/Nc1ccccn1)\c1nccc2ccccc12	mol36476	C(=N/Nc1ccccn1)\c1nccc2ccccc12
3.70000004768372	QSARToolbox	2	1	C(=N/[NH2+]c1cccc[nH+]1)\c1nccc2ccccc12,C(=[NH+]/Nc1ccccn1)\c1[nH+]ccc2ccccc12,C(=[NH+]/Nc1cccc[nH+]1)\c1nccc2ccccc12,C(=N/Nc1cccc[nH+]1)\c1[nH+]ccc2ccccc12,C(=N/[NH2+]c1ccccn1)\c1[nH+]ccc2ccccc12,C(=[NH+]/[NH2+]c1ccccn1)\c1nccc2ccccc12	C(=[NH+]/Nc1ccccn1)\c1nccc2ccccc12,C(=N/Nc1cccc[nH+]1)\c1nccc2ccccc12,C(=N/[NH2+]c1ccccn1)\c1nccc2ccccc12,C(=N/Nc1ccccn1)\c1[nH+]ccc2ccccc12	mol36476	C(=N/Nc1ccccn1)\c1nccc2ccccc12