PC-Compounds ::= {
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              92,
              151,
              61,
              159,
              79,
              266,
              24,
              56,
              346,
              289,
              51,
              53,
              46,
              134,
              307,
              26,
              189,
              211,
              121,
              161,
              325,
              137,
              13,
              235,
              212,
              123,
              339,
              16,
              210,
              183,
              33,
              25,
              233,
              90,
              274,
              20,
              74,
              44,
              21,
              258,
              17
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "61",
          "1 -0.36",
          "10 -0.14",
          "11 0.1",
          "12 -0.15",
          "13 -0.15",
          "14 0.66",
          "15 0.09",
          "16 0.08",
          "17 0.18",
          "18 -0.15",
          "19 -0.15",
          "2 -0.28",
          "20 0.28",
          "21 -0.15",
          "22 0.05",
          "23 -0.15",
          "24 0.4",
          "25 -0.04",
          "26 -0.15",
          "27 -0.15",
          "28 0.43",
          "29 0.09",
          "3 -0.65",
          "30 0.05",
          "31 0.18",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "45 0.4",
          "46 0.15",
          "47 0.15",
          "5 -0.57",
          "50 0.15",
          "51 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "6 -0.87",
          "61 0.5",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "70 0.15",
          "71 0.15",
          "8 0.43",
          "9 0.14"
        }
      },
      {
        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 { 12, 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 {
          "12",
          "1 1 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 6 donor",
          "3 3 4 14 anion",
          "5 2 7 22 25 28 rings",
          "6 10 12 13 16 18 19 rings",
          "6 11 15 21 23 26 27 rings",
          "6 29 32 33 36 37 40 rings",
          "6 30 34 35 38 39 41 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}