PC-Compounds ::= {
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                urn {
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                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 2225011, 10, -3 }
              },
              {
                urn {
                  label "Shape",
                  name "Volume",
                  datatype double,
                  version "1.8.3",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 4798, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
              label "Conformer",
              name "RMSD",
              datatype double,
              release "2009.12.11"
            },
            value fval { 1, 10, 0 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
              1,
              2
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "66",
          "1 -0.36",
          "10 0.14",
          "11 0.14",
          "12 0.28",
          "13 0.28",
          "14 0.46",
          "15 0.46",
          "16 0.27",
          "17 0.27",
          "18 0.18",
          "19 0.18",
          "2 -0.36",
          "20 -0.18",
          "21 -0.18",
          "24 -0.33",
          "25 -0.33",
          "26 -0.14",
          "27 -0.14",
          "28 0.14",
          "29 0.14",
          "3 -0.68",
          "30 0.27",
          "31 0.27",
          "32 -0.14",
          "33 -0.14",
          "34 0.08",
          "35 0.08",
          "36 0.37",
          "37 0.37",
          "38 -0.19",
          "39 -0.19",
          "4 -0.68",
          "40 -0.2",
          "41 -0.2",
          "42 -0.2",
          "43 -0.2",
          "44 -0.15",
          "45 -0.15",
          "46 0.08",
          "47 0.08",
          "48 -0.15",
          "49 -0.15",
          "5 -0.53",
          "6 -0.53",
          "7 -0.81",
          "70 0.27",
          "75 0.4",
          "76 0.4",
          "77 0.1",
          "78 0.1",
          "79 0.1",
          "8 -0.81",
          "80 0.1",
          "81 0.1",
          "82 0.1",
          "83 0.1",
          "84 0.1",
          "85 0.1",
          "86 0.1",
          "87 0.15",
          "88 0.15",
          "89 0.15",
          "9 0.03",
          "90 0.15",
          "91 0.45",
          "92 0.45"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 76, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "23",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 donor",
          "1 6 donor",
          "1 7 cation",
          "1 8 cation",
          "1 9 cation",
          "1 9 donor",
          "5 1 10 14 26 34 rings",
          "5 2 11 15 27 35 rings",
          "5 9 20 21 24 25 rings",
          "6 10 12 14 18 20 24 rings",
          "6 10 12 16 26 28 32 rings",
          "6 11 13 15 19 21 25 rings",
          "6 11 13 17 27 29 33 rings",
          "6 26 32 34 44 46 48 rings",
          "6 27 33 35 45 47 49 rings",
          "6 7 10 12 16 22 30 rings",
          "6 8 11 13 17 23 31 rings"
        }
      }
    },
    count {
      heavy-atom 49,
      atom-chiral 8,
      atom-chiral-def 8,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 5
    }
  }
}