pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.78000020980835	QSARToolbox	0	-1	O=P([O-])([O-])C[NH+]1CCCNCC[NH+](CP(=O)([O-])O)CCC[NH2+]CC1,O=P([O-])(O)CN1CCC[NH2+]CCN(CP(=O)([O-])O)CCC[NH2+]CC1,O=P([O-])([O-])C[NH+]1CCC[NH2+]CC[NH+](CP(=O)([O-])[O-])CCC[NH2+]CC1,O=P([O-])([O-])C[NH+]1CCC[NH2+]CC[NH+](CP(=O)([O-])O)CCCNCC1,O=P([O-])(O)CN1CCCNCC[NH+](CP(=O)([O-])O)CCC[NH2+]CC1,O=P([O-])([O-])CN1CCC[NH2+]CC[NH+](CP(=O)([O-])O)CCC[NH2+]CC1,O=P([O-])(O)C[NH+]1CCCNCC[NH+](CP(=O)([O-])O)CCCNCC1,O=P([O-])([O-])C[NH+]1CCC[NH2+]CCN(CP(=O)([O-])O)CCC[NH2+]CC1	O=P([O-])([O-])CN1CCC[NH2+]CC[NH+](CP(=O)([O-])[O-])CCC[NH2+]CC1,O=P([O-])([O-])C[NH+]1CCCNCCN(CP(=O)([O-])O)CCC[NH2+]CC1,O=P([O-])([O-])C[NH+]1CCC[NH2+]CCN(CP(=O)([O-])O)CCCNCC1,O=P([O-])([O-])C[NH+]1CCC[NH2+]CC[NH+](CP(=O)([O-])[O-])CCCNCC1,O=P([O-])([O-])C[NH+]1CCCNCC[NH+](CP(=O)([O-])O)CCCNCC1,O=P([O-])([O-])CN1CCCNCC[NH+](CP(=O)([O-])O)CCC[NH2+]CC1,O=P([O-])([O-])CN1CCC[NH2+]CCN(CP(=O)([O-])O)CCC[NH2+]CC1	mol37158	O=P(O)(O)CN1CCCNCCN(CP(=O)(O)O)CCCNCC1