pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.97000026702881	QSARToolbox	2	1	c1cc2nc(c1)C[NH2+]CCCNCCCNCc1cccc(n1)C[NH2+]CCCNCCCNC2,c1cc2nc(c1)C[NH2+]CCCNCCC[NH2+]Cc1cccc(n1)CNCCCNCCCNC2,c1cc2nc(c1)CNCCC[NH2+]CCCNCc1cccc(n1)CNCCC[NH2+]CCCNC2,c1cc2nc(c1)CNCCC[NH2+]CCCNCc1cccc(n1)C[NH2+]CCCNCCCNC2	c1cc2nc(c1)CNCCC[NH2+]CCCNCc1cccc(n1)CNCCCNCCCNC2,c1cc2nc(c1)CNCCCNCCCNCc1cccc([nH+]1)CNCCCNCCCNC2,c1cc2nc(c1)CNCCCNCCC[NH2+]Cc1cccc(n1)CNCCCNCCCNC2	mol34580	c1cc2nc(c1)CNCCCNCCCNCc1cccc(n1)CNCCCNCCCNC2