pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.73999977111816	QSARToolbox	2	1	c1ccc(Cn2nc3cc2C[NH2+]CCOCCNCc2cc(n(Cc4ccccc4)n2)C[NH2+]CCOCCNC3)cc1,c1ccc(Cn2nc3cc2CNCCOCC[NH2+]Cc2cc(n(Cc4ccccc4)n2)C[NH2+]CCOCCNC3)cc1,c1ccc(Cn2nc3cc2CNCCOCCNCc2cc(n(Cc4ccccc4)n2)C[NH2+]CCOCC[NH2+]C3)cc1,c1ccc(Cn2nc3cc2CNCCOCC[NH2+]Cc2cc(n(Cc4ccccc4)n2)CNCCOCC[NH2+]C3)cc1	c1ccc(Cn2nc3cc2CNCCOCCNCc2cc(n(Cc4ccccc4)n2)C[NH2+]CCOCCNC3)cc1,c1ccc(Cn2nc3cc2CNCCOCC[NH2+]Cc2cc(n(Cc4ccccc4)n2)CNCCOCCNC3)cc1	mol34646	c1ccc(Cn2nc3cc2CNCCOCCNCc2cc(n(Cc4ccccc4)n2)CNCCOCCNC3)cc1