PC-Compounds ::= {
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          "2 -0.22",
          "20 -0.15",
          "21 -0.15",
          "22 0.08",
          "23 0.08",
          "24 0.08",
          "25 0.08",
          "26 0.28",
          "27 0.28",
          "28 0.08",
          "29 0.28",
          "3 -0.36",
          "30 0.05",
          "31 -0.15",
          "32 0.28",
          "33 0.28",
          "34 0.33",
          "35 0.28",
          "36 -0.15",
          "37 -0.15",
          "38 0.04",
          "39 0.23",
          "4 -0.36",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.36",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "6 -0.36",
          "60 0.15",
          "7 -0.36",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "8 -0.36",
          "9 -0.51"
        }
      },
      {
        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 { 126, 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 {
          "14",
          "1 10 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "5 1 10 34 38 39 rings",
          "5 2 9 11 12 14 rings",
          "6 13 16 17 18 21 22 rings",
          "6 15 19 20 23 24 25 rings",
          "6 28 30 31 36 37 40 rings",
          "6 38 39 41 42 43 44 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      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
    }
  }
}