PC-Compounds ::= {
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          "33 0.09",
          "34 0.18",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "5 -0.57",
          "54 0.37",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.81",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.73",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "8 -0.66",
          "9 0.44"
        }
      },
      {
        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 { 112, 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 {
          "10",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 donor",
          "5 3 8 14 17 20 rings",
          "6 18 21 22 27 28 32 rings",
          "6 19 24 25 29 30 34 rings",
          "6 33 35 36 37 38 39 rings",
          "6 6 9 10 11 12 13 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}