pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.69000005722046	QSARToolbox	-1	-2	Cc1[nH+]cc(COP(=O)([O-])O)c(C=NCCCCCC(=O)[O-])c1O,Cc1ncc(COP(=O)([O-])O)c(C=NCCCCCC(=O)O)c1O,Cc1ncc(COP(=O)([O-])O)c(C=[NH+]CCCCCC(=O)[O-])c1O	Cc1ncc(COP(=O)([O-])[O-])c(C=[NH+]CCCCCC(=O)[O-])c1O,Cc1[nH+]cc(COP(=O)([O-])[O-])c(C=NCCCCCC(=O)[O-])c1O,Cc1ncc(COP(=O)([O-])O)c(C=NCCCCCC(=O)[O-])c1O	mol36021	Cc1ncc(COP(=O)(O)O)c(C=NCCCCCC(=O)O)c1O