pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.73999977111816	QSARToolbox	3	2	c1c2n[nH]c1CNCC[NH2+]CC[NH2+]Cc1cc([nH]n1)CNCCNCC[NH2+]C2,c1c2n[nH]c1C[NH2+]CCNCCNCc1cc([nH]n1)C[NH2+]CC[NH2+]CCNC2,c1c2n[nH]c1CNCCNCC[NH2+]Cc1cc([nH]n1)C[NH2+]CCNCC[NH2+]C2,c1c2n[nH]c1CNCCNCC[NH2+]Cc1cc([nH]n1)C[NH2+]CC[NH2+]CCNC2,c1c2n[nH]c1C[NH2+]CCNCC[NH2+]Cc1cc([nH]n1)C[NH2+]CCNCCNC2,c1c2n[nH]c1CNCC[NH2+]CCNCc1cc([nH]n1)C[NH2+]CCNCC[NH2+]C2,c1c2n[nH]c1CNCC[NH2+]CCNCc1cc([nH]n1)C[NH2+]CC[NH2+]CCNC2,c1c2n[nH]c1CNCC[NH2+]CC[NH2+]Cc1cc([nH]n1)C[NH2+]CCNCCNC2,c1c2n[nH]c1CNCC[NH2+]CC[NH2+]Cc1cc([nH]n1)CNCC[NH2+]CCNC2	c1c2n[nH]c1CNCCNCC[NH2+]Cc1cc([nH]n1)CNCCNCC[NH2+]C2,c1c2n[nH]c1CNCCNCC[NH2+]Cc1cc([nH]n1)CNCC[NH2+]CCNC2,c1c2n[nH]c1CNCC[NH2+]CCNCc1cc([nH]n1)CNCC[NH2+]CCNC2,c1c2n[nH]c1C[NH2+]CCNCCNCc1cc([nH]n1)C[NH2+]CCNCCNC2,c1c2n[nH]c1CNCC[NH2+]CCNCc1cc([nH]n1)C[NH2+]CCNCCNC2,c1c2n[nH]c1CNCCNCC[NH2+]Cc1cc([nH]n1)C[NH2+]CCNCCNC2	mol34601	c1c2n[nH]c1CNCCNCCNCc1cc([nH]n1)CNCCNCCNC2