PC-Compounds ::= {
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          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "32",
          "1 -0.68",
          "10 -0.57",
          "15 0.06",
          "18 0.28",
          "19 0.14",
          "2 -0.57",
          "23 0.14",
          "24 -0.28",
          "26 0.45",
          "27 0.06",
          "28 -0.14",
          "29 0.34",
          "3 -0.56",
          "30 0.49",
          "31 0.56",
          "32 0.28",
          "33 0.28",
          "34 0.28",
          "35 0.34",
          "36 0.66",
          "4 -0.57",
          "5 -0.56",
          "58 0.4",
          "6 -0.68",
          "61 0.15",
          "69 0.4",
          "7 -0.68",
          "70 0.4",
          "71 0.4",
          "72 0.5",
          "8 -0.68",
          "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 { 8, 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 {
          "20",
          "1 1 acceptor",
          "1 1 donor",
          "1 10 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "3 9 10 36 anion",
          "5 11 12 15 17 20 rings",
          "6 11 12 13 14 16 18 rings",
          "6 13 14 19 21 23 24 rings",
          "6 19 24 25 27 28 30 rings",
          "6 5 31 32 33 34 35 rings"
        }
      }
    },
    count {
      heavy-atom 36,
      atom-chiral 12,
      atom-chiral-def 11,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 24
    }
  }
}