PC-Compounds ::= {
  {
    id {
      id cid 72201044
    },
    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
      },
      element {
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      radical {
        {
          aid 5,
          type doublet
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11
      },
      aid2 {
        12,
        22,
        12,
        13,
        23,
        13,
        24,
        10,
        11,
        19,
        8,
        20,
        21,
        9,
        11,
        12,
        10,
        14,
        15,
        13,
        16,
        17,
        18
      },
      order {
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 7,
        top 11,
        bottom 9,
        below 12,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 6,
        top 13,
        bottom 9,
        below 16,
        parity counterclockwise,
        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
        },
        conformers {
          {
            x {
              { 4029, 10, -3 },
              { 26278, 10, -4 },
              { 3644, 10, -4 },
              { 17657, 10, -4 },
              { 16967, 10, -4 },
              { 29467, 10, -4 },
              { 1859, 10, -3 },
              { 24467, 10, -4 },
              { 16377, 10, -4 },
              { 19467, 10, -4 },
              { 32558, 10, -4 },
              { 30345, 10, -4 },
              { 1359, 10, -3 },
              { 13277, 10, -4 },
              { 10713, 10, -4 },
              { 22282, 10, -4 },
              { 38222, 10, -4 },
              { 35658, 10, -4 },
              { 33112, 10, -4 },
              { 12424, 10, -4 },
              { 21111, 10, -4 },
              { 43935, 10, -4 },
              { 0, 10, 0 },
              { 26967, 10, -4 }
            },
            y {
              { 39659, 10, -4 },
              { 4984, 10, -3 },
              { 10181, 10, -4 },
              { 0, 10, 0 },
              { 6984, 10, -3 },
              { 17226, 10, -4 },
              { 40704, 10, -4 },
              { 32614, 10, -4 },
              { 26736, 10, -4 },
              { 17226, 10, -4 },
              { 26736, 10, -4 },
              { 40704, 10, -4 },
              { 9135, 10, -4 },
              { 32106, 10, -4 },
              { 24214, 10, -4 },
              { 11701, 10, -4 },
              { 24214, 10, -4 },
              { 32106, 10, -4 },
              { 1221, 10, -3 },
              { 40056, 10, -4 },
              { 46368, 10, -4 },
              { 44675, 10, -4 },
              { 5165, 10, -4 },
              { 6984, 10, -3 }
            },
            style {
              annotation {
                wedge-up,
                wedge-up
              },
              aid1 {
                8,
                10
              },
              aid2 {
                7,
                13
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2012.11.26"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value fval { 23, 10, 1 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value ival 6
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value ival 5
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value ival 2
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value binary '00000371C06338000000000000000000000000000001600000000000
00000000000000000000001E00100800000CA8C18004000802C002000800009008000000000000
0000008188000002401A00C020144000061000900000BC37000C00000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "InChI=1S/C6H10N2O4.HO/c7-6(5(11)12)1-3(4(9)10)8-2-6;/h3,8H
,1-2,7H2,(H,9,10)(H,11,12);1H/t3-,6-;/m1./s1"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "HFNCSEJGXJRTNV-VIKFZCHMSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "191.06679646"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "C6H11N2O5"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "191.16"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "C1C(NCC1(C(=O)O)N)C(=O)O.[OH]"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O.[OH]"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value fval { 114, 10, 0 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "191.06679646"
      }
    },
    count {
      heavy-atom 13,
      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 2,
      tautomers -1
    }
  }
}