PC-Compounds ::= {
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              88,
              50,
              156,
              205,
              177,
              125,
              24,
              55,
              101,
              251,
              114,
              23,
              226,
              45,
              16,
              10,
              44,
              193,
              73,
              49,
              31,
              86,
              43,
              5,
              136,
              19,
              144,
              13,
              250,
              15,
              66,
              39,
              254,
              9,
              3,
              6,
              8,
              58,
              74,
              28,
              4,
              25,
              29,
              72,
              194,
              32,
              7,
              115,
              2,
              11
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "57",
          "1 -0.18",
          "10 -0.65",
          "11 -0.57",
          "12 -0.66",
          "13 -0.85",
          "14 -0.55",
          "15 -0.55",
          "17 0.28",
          "18 0.3",
          "19 0.36",
          "2 1.45",
          "20 0.3",
          "22 0.57",
          "23 0.2",
          "24 0.08",
          "25 -0.14",
          "26 0.28",
          "28 0.36",
          "29 -0.15",
          "3 -0.34",
          "30 -0.15",
          "31 -0.01",
          "32 0.12",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 0.18",
          "39 0.69",
          "4 -0.34",
          "40 0.12",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.14",
          "46 1.16",
          "5 -0.34",
          "6 -0.36",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "70 0.4",
          "71 0.15",
          "72 0.15",
          "73 0.37",
          "74 0.15",
          "75 0.15",
          "76 0.37",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.68",
          "80 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 { 122, 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 {
          "12",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 14 donor",
          "1 15 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "6 24 25 29 30 32 33 rings",
          "6 31 34 35 36 37 38 rings",
          "6 40 41 42 43 44 45 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}