PC-Compounds ::= {
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          "17 -0.29",
          "18 -0.28",
          "2 -0.68",
          "20 0.28",
          "23 0.42",
          "24 0.06",
          "25 0.14",
          "29 0.14",
          "3 -0.68",
          "31 0.66",
          "33 0.06",
          "35 0.66",
          "4 -0.43",
          "43 0.15",
          "5 -0.57",
          "6 -0.57",
          "65 0.4",
          "7 0.14",
          "70 0.4",
          "8 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 { 2, 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 {
          "12",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 3 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "5 1 13 19 24 31 rings",
          "5 4 23 27 33 35 rings",
          "5 8 10 12 16 18 rings",
          "7 12 18 20 23 27 28 30 rings",
          "7 7 8 9 10 11 14 17 rings",
          "7 7 9 13 15 19 21 22 rings"
        }
      }
    },
    count {
      heavy-atom 36,
      atom-chiral 14,
      atom-chiral-def 14,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}