PC-Compounds ::= {
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              134,
              381,
              73,
              368,
              9,
              6,
              24,
              2,
              202,
              400,
              121,
              67,
              86,
              13,
              234,
              464
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "52",
          "1 1.38",
          "10 -0.49",
          "11 -0.16",
          "12 -0.87",
          "13 -0.76",
          "14 -0.31",
          "15 -0.31",
          "16 0.61",
          "17 -0.12",
          "18 -0.04",
          "19 0.62",
          "2 1.45",
          "20 0.14",
          "21 0.12",
          "22 0.37",
          "23 0.1",
          "24 -0.15",
          "25 -0.15",
          "26 -0.15",
          "27 -0.15",
          "28 -0.01",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.51",
          "35 -0.15",
          "36 -0.15",
          "37 0.39",
          "38 0.28",
          "4 -0.68",
          "40 0.4",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.65",
          "50 0.15",
          "51 0.5",
          "52 0.15",
          "53 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.42",
          "58 0.15",
          "59 0.15",
          "6 -0.65",
          "7 -0.65",
          "8 -0.65",
          "9 -0.36"
        }
      },
      {
        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 { 9, 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 {
          "15",
          "1 12 cation",
          "1 12 donor",
          "1 13 donor",
          "1 14 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "4 1 4 5 6 anion",
          "5 10 11 17 18 19 rings",
          "6 14 15 34 35 36 37 rings",
          "6 21 24 25 31 32 33 rings",
          "6 23 26 27 28 29 30 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}