PC-Compounds ::= {
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          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.08",
          "35 0.28",
          "4 -0.36",
          "47 0.15",
          "48 0.15",
          "49 0.37",
          "5 -0.81",
          "50 0.4",
          "6 -0.47",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "7 -0.73",
          "8 -0.81"
        }
      },
      {
        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 { 1, 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 {
          "13",
          "1 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 7 donor",
          "1 8 cation",
          "5 5 9 10 11 12 rings",
          "5 6 9 10 13 14 rings",
          "6 23 30 31 32 33 34 rings",
          "6 6 14 18 19 20 21 rings",
          "6 8 25 26 27 28 29 rings"
        }
      }
    },
    count {
      heavy-atom 35,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}