PC-Compounds ::= {
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      },
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          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.23",
          "35 0.15",
          "36 0.15",
          "37 0.4",
          "38 0.15",
          "39 0.15",
          "4 -0.57",
          "40 0.15",
          "41 0.5",
          "42 0.15",
          "43 0.15",
          "44 0.15",
          "45 0.15",
          "46 0.15",
          "47 0.15",
          "48 0.15",
          "5 -0.87",
          "7 0.28",
          "8 0.43",
          "9 0.14"
        }
      },
      {
        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 { 46, 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 {
          "11",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 5 donor",
          "3 1 2 14 anion",
          "5 6 7 9 11 12 rings",
          "6 10 13 15 16 17 18 rings",
          "6 20 21 22 23 24 25 rings",
          "6 22 23 26 27 28 29 rings",
          "6 5 6 7 8 10 13 rings"
        }
      }
    },
    count {
      heavy-atom 29,
      atom-chiral 3,
      atom-chiral-def 0,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}