PC-Compounds ::= {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "47",
          "1 -0.56",
          "11 0.28",
          "12 0.3",
          "13 0.3",
          "15 0.3",
          "16 0.28",
          "18 0.54",
          "2 -0.36",
          "20 0.28",
          "23 0.28",
          "24 0.09",
          "25 0.08",
          "26 0.3",
          "27 0.69",
          "28 -0.15",
          "3 -0.68",
          "30 0.1",
          "31 -0.15",
          "32 -0.15",
          "33 0.12",
          "35 0.37",
          "36 0.37",
          "37 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "5 -0.57",
          "6 -0.66",
          "7 -0.66",
          "72 0.15",
          "76 0.15",
          "77 0.4",
          "78 0.15",
          "79 0.37",
          "8 -0.55",
          "86 0.15",
          "87 0.15",
          "88 0.15",
          "89 0.15",
          "9 -0.84",
          "90 0.15",
          "91 0.15",
          "92 0.15"
        }
      },
      {
        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 { 102, 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 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 8 donor",
          "1 9 cation",
          "6 24 25 28 30 31 32 rings",
          "6 33 34 37 38 40 41 rings",
          "6 34 38 39 42 43 44 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      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
    }
  }
}