PC-Compounds ::= {
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        top 13,
        bottom 16,
        below 49,
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        top 21,
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            }
          }
        },
        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 "2012.02.08"
            },
            value ivec {
              5,
              8,
              1,
              4,
              9,
              10,
              3,
              6,
              7,
              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 {
          "58",
          "1 -0.17",
          "10 0.65",
          "11 0.5",
          "12 0.5",
          "13 -0.14",
          "14 0.14",
          "15 -0.14",
          "16 0.14",
          "17 -0.14",
          "18 0.14",
          "19 0.5",
          "2 -0.17",
          "20 0.5",
          "21 0.14",
          "22 -0.14",
          "23 0.5",
          "24 0.5",
          "25 0.08",
          "26 -0.14",
          "27 -0.15",
          "28 -0.15",
          "29 -0.14",
          "3 -0.36",
          "30 -0.15",
          "31 0.08",
          "32 0.08",
          "33 0.08",
          "34 0.08",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 0.08",
          "4 -0.36",
          "40 0.08",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 0.08",
          "45 0.28",
          "46 0.28",
          "47 0.28",
          "48 0.28",
          "5 -0.36",
          "6 -0.36",
          "7 -1.01",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -1.01",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "9 0.65"
        }
      },
      {
        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 { 6, 10, 0 }
      },
      {
        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 {
          "14",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 cation",
          "1 8 cation",
          "6 13 17 25 28 31 33 rings",
          "6 15 22 27 30 32 34 rings",
          "6 26 35 36 40 43 44 rings",
          "6 29 37 38 39 41 42 rings",
          "6 7 9 11 13 14 17 rings",
          "6 8 10 12 15 18 22 rings"
        }
      }
    },
    count {
      heavy-atom 48,
      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 1,
      tautomers 1
    }
  }
}