PC-Compounds ::= {
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          "28 0.57",
          "29 0.36",
          "3 -0.34",
          "30 0.14",
          "31 -0.14",
          "32 -0.15",
          "33 -0.15",
          "34 0.57",
          "35 -0.14",
          "36 -0.15",
          "37 -0.15",
          "38 0.06",
          "39 0.82",
          "4 -0.57",
          "5 -0.57",
          "6 -0.57",
          "66 0.37",
          "7 -1.03",
          "70 0.37",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 -1.03",
          "9 -1.03"
        }
      },
      {
        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 { 154, 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 {
          "12",
          "1 11 donor",
          "1 12 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "4 1 7 8 9 anion",
          "6 13 14 15 17 18 19 rings",
          "6 31 32 33 35 36 37 rings",
          "7 10 22 23 24 25 26 27 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 8
    }
  }
}