PC-Compounds ::= {
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              129,
              89,
              110,
              215,
              29,
              132,
              419,
              66,
              379,
              268,
              239,
              32,
              344,
              194,
              98,
              83,
              332,
              270,
              90,
              326,
              13,
              260,
              352,
              136,
              271,
              367,
              321,
              377,
              134,
              78,
              345,
              14,
              18,
              44,
              308,
              21,
              5,
              176,
              38,
              281,
              43,
              314,
              301,
              315,
              374,
              373
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "59",
          "1 -0.36",
          "10 0.14",
          "11 -0.14",
          "12 0.1",
          "13 0.09",
          "14 0.66",
          "15 -0.15",
          "16 -0.15",
          "17 0.08",
          "18 -0.15",
          "19 -0.15",
          "2 -0.65",
          "20 -0.15",
          "21 0.28",
          "22 0.37",
          "23 -0.15",
          "24 0.28",
          "25 -0.15",
          "26 -0.15",
          "27 0.09",
          "28 0.41",
          "29 0.37",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 0.16",
          "38 -0.15",
          "4 -0.87",
          "42 0.4",
          "43 0.15",
          "44 0.15",
          "45 0.15",
          "46 0.15",
          "47 0.15",
          "5 -0.84",
          "52 0.15",
          "53 0.15",
          "54 0.15",
          "55 0.5",
          "59 0.15",
          "6 -0.5",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.36",
          "69 0.36",
          "7 -0.62",
          "8 -0.67",
          "9 0.43"
        }
      },
      {
        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 { 12, 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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 cation",
          "1 4 donor",
          "1 5 cation",
          "1 6 acceptor",
          "1 7 acceptor",
          "3 2 3 14 anion",
          "6 11 15 16 17 19 20 rings",
          "6 12 13 18 23 25 26 rings",
          "6 27 30 31 33 34 35 rings",
          "6 7 28 32 36 37 38 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}