pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.44000005722046	QSARToolbox	1	0	C(=N/[NH2+]c1ccc2ccccc2n1)\c1ccc2ccccc2n1,C(=N/Nc1ccc2ccccc2n1)\c1ccc2ccccc2[nH+]1,C(=N/Nc1ccc2ccccc2[nH+]1)\c1ccc2ccccc2n1,C(=[NH+]/Nc1ccc2ccccc2n1)\c1ccc2ccccc2n1	C(=N/Nc1ccc2ccccc2n1)\c1ccc2ccccc2n1	mol36470	C(=N/Nc1ccc2ccccc2n1)\c1ccc2ccccc2n1
2.5	QSARToolbox	2	1	C(=N/[NH2+]c1ccc2ccccc2[nH+]1)\c1ccc2ccccc2n1,C(=[NH+]/Nc1ccc2ccccc2n1)\c1ccc2ccccc2[nH+]1,C(=N/Nc1ccc2ccccc2[nH+]1)\c1ccc2ccccc2[nH+]1,C(=[NH+]/Nc1ccc2ccccc2[nH+]1)\c1ccc2ccccc2n1,C(=[NH+]/[NH2+]c1ccc2ccccc2n1)\c1ccc2ccccc2n1,C(=N/[NH2+]c1ccc2ccccc2n1)\c1ccc2ccccc2[nH+]1	C(=N/[NH2+]c1ccc2ccccc2n1)\c1ccc2ccccc2n1,C(=N/Nc1ccc2ccccc2n1)\c1ccc2ccccc2[nH+]1,C(=N/Nc1ccc2ccccc2[nH+]1)\c1ccc2ccccc2n1,C(=[NH+]/Nc1ccc2ccccc2n1)\c1ccc2ccccc2n1	mol36470	C(=N/Nc1ccc2ccccc2n1)\c1ccc2ccccc2n1