PC-Compounds ::= {
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              166,
              67,
              167,
              123,
              39,
              175,
              146,
              5,
              51,
              185,
              56,
              173,
              6,
              32
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "48",
          "1 -0.43",
          "12 0.06",
          "13 -0.03",
          "15 0.57",
          "17 0.66",
          "18 -0.29",
          "19 0.14",
          "2 -0.57",
          "20 0.06",
          "21 0.44",
          "22 0.57",
          "23 -0.14",
          "25 -0.15",
          "26 0.28",
          "28 0.44",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.14",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 0.08",
          "39 -0.15",
          "4 -0.57",
          "40 0.08",
          "41 0.28",
          "42 0.28",
          "5 -0.36",
          "52 0.15",
          "59 0.37",
          "6 -0.36",
          "60 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.47",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 -0.73",
          "9 0.2"
        }
      },
      {
        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 { 124, 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 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 donor",
          "6 23 24 25 27 29 31 rings",
          "6 24 27 30 32 34 35 rings",
          "6 33 36 37 38 39 40 rings",
          "6 7 9 10 12 13 15 rings",
          "7 9 11 13 14 16 18 19 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      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 4
    }
  }
}