PC-Compounds ::= {
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          "29 0.23",
          "3 -0.57",
          "30 0.36",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.57",
          "35 0.57",
          "36 0.06",
          "38 0.33",
          "39 0.36",
          "4 -0.57",
          "40 0.66",
          "41 0.66",
          "44 0.15",
          "45 0.15",
          "46 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.65",
          "50 0.15",
          "54 0.4",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.37",
          "6 -0.57",
          "64 0.37",
          "67 0.36",
          "68 0.36",
          "69 0.5",
          "7 -0.65",
          "70 0.5",
          "8 -0.57",
          "9 -0.73"
        }
      },
      {
        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 { 134, 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 {
          "19",
          "1 10 donor",
          "1 11 cation",
          "1 11 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 donor",
          "3 5 6 40 anion",
          "3 7 8 41 anion",
          "6 12 13 14 15 21 22 rings",
          "6 12 14 16 17 18 20 rings",
          "6 16 17 19 23 25 27 rings",
          "6 16 18 19 24 26 28 rings",
          "6 19 23 24 31 32 33 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 4,
      atom-chiral-def 2,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}