PC-Compounds ::= {
  {
    id {
      id cid 60140973
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25
      },
      element {
        y,
        p,
        na,
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 3,
          value 1
        },
        {
          aid 4,
          value -1
        },
        {
          aid 12,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        2,
        2,
        3,
        5,
        7,
        7,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        14,
        14,
        14
      },
      aid2 {
        12,
        4,
        5,
        6,
        9,
        4,
        24,
        13,
        25,
        13,
        10,
        13,
        15,
        11,
        16,
        17,
        12,
        18,
        19,
        14,
        20,
        21,
        22,
        23
      },
      order {
        complex,
        single,
        single,
        double,
        single,
        ionic,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 2,
        top 10,
        bottom 13,
        below 15,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          twod,
          computed,
          units-unknown
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25
        },
        conformers {
          {
            x {
              { 5232, 10, -3 },
              { 35, 10, -1 },
              { 2, 10, 0 },
              { 3, 10, 0 },
              { 2634, 10, -3 },
              { 4, 10, 0 },
              { 60981, 10, -4 },
              { 5232, 10, -3 },
              { 4366, 10, -3 },
              { 4366, 10, -3 },
              { 5232, 10, -3 },
              { 5232, 10, -3 },
              { 5232, 10, -3 },
              { 6232, 10, -3 },
              { 4366, 10, -3 },
              { 4154, 10, -3 },
              { 37554, 10, -4 },
              { 54441, 10, -4 },
              { 58426, 10, -4 },
              { 4612, 10, -3 },
              { 6232, 10, -3 },
              { 6852, 10, -3 },
              { 6232, 10, -3 },
              { 2097, 10, -3 },
              { 6635, 10, -3 }
            },
            y {
              { 25, 10, -1 },
              { -15, 10, -1 },
              { -634, 10, -3 },
              { -634, 10, -3 },
              { -2, 10, 0 },
              { -2366, 10, -3 },
              { -1, 10, 0 },
              { -25, 10, -1 },
              { -1, 10, 0 },
              { 0, 10, 0 },
              { 5, 10, -1 },
              { 15, 10, -1 },
              { -15, 10, -1 },
              { 15, 10, -1 },
              { -162, 10, -2 },
              { 5826, 10, -4 },
              { -1077, 10, -4 },
              { -826, 10, -4 },
              { 6077, 10, -4 },
              { 15, 10, -1 },
              { 88, 10, -2 },
              { 15, 10, -1 },
              { 212, 10, -2 },
              { -169, 10, -2 },
              { -131, 10, -2 }
            },
            style {
              annotation {
                wavy
              },
              aid1 {
                9
              },
              aid2 {
                10
              }
            }
          }
        }
      }
    },
    charge -1,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2019.01.04"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 212, 10, 0 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 6
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 2
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 5
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value binary '00000371C06038220000000002000000000000000000000000000000
00000000000000000000001A080008200008008880000208000002100840009008800000000000
000000010000000000120000000040000400000000018848000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "sodium;oxidanyl-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)pho
sphinate;yttrium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C6H12O5P.Na.Y/c1-2-3-4-5(6(7)8)12(9,10)11;;/h2,5H
,3-4H2,1H3,(H,7,8)(H2,9,10,11);;/q-1;+1;/p-1"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "FTETYTOBHCIVLJ-UHFFFAOYSA-M"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "305.930018"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C6H11NaO5PY-"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "306.02"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C[CH-]CCC(C(=O)O)P(=O)(O)[O-].[Na+].[Y]"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C[CH-]CCC(C(=O)O)P(=O)(O)[O-].[Na+].[Y]"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 977, 10, -1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "305.930018"
      }
    },
    count {
      heavy-atom 14,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 3,
      tautomers -1
    }
  }
}