PC-Compounds ::= {
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          "3 -0.28",
          "30 -0.01",
          "31 -0.01",
          "38 0.15",
          "39 0.15",
          "4 -0.66",
          "45 0.15",
          "46 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 0.06",
          "50 0.15",
          "51 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "6 0.14",
          "7 0.44",
          "9 0.57"
        }
      },
      {
        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 { 58, 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 {
          "8",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "5 3 24 29 30 31 rings",
          "5 4 5 6 7 9 rings",
          "6 12 16 17 19 20 21 rings",
          "6 18 22 23 25 26 28 rings",
          "6 5 6 8 10 11 13 rings"
        }
      }
    },
    count {
      heavy-atom 31,
      atom-chiral 4,
      atom-chiral-def 0,
      atom-chiral-undef 4,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}