PC-Compounds ::= {
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              109,
              127,
              42,
              74,
              79,
              22,
              53,
              48,
              7,
              231,
              36,
              189,
              115,
              50,
              144,
              29,
              6,
              38,
              70,
              2,
              143,
              21,
              133,
              60,
              101,
              64,
              82,
              166,
              87,
              40,
              151,
              58,
              76,
              200,
              5,
              49,
              31,
              121,
              106,
              71,
              119,
              153,
              111,
              99,
              28,
              33,
              3,
              162,
              9,
              19,
              20,
              30,
              114,
              37,
              15,
              10,
              85,
              23
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "44",
          "1 -0.12",
          "10 -0.73",
          "11 0.05",
          "12 -0.41",
          "13 0.3",
          "16 0.27",
          "17 0.27",
          "18 0.27",
          "2 -0.08",
          "21 0.71",
          "22 -0.24",
          "23 -0.15",
          "24 -0.15",
          "26 0.44",
          "27 -0.15",
          "28 -0.15",
          "29 0.09",
          "3 -0.57",
          "30 0.11",
          "31 -0.15",
          "32 0.34",
          "33 0.63",
          "35 -0.15",
          "36 0.28",
          "37 0.66",
          "38 0.14",
          "39 0.04",
          "4 -0.43",
          "40 -0.15",
          "41 -0.15",
          "42 0.16",
          "5 -0.43",
          "53 0.37",
          "6 -0.02",
          "60 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "69 0.15",
          "7 -0.57",
          "72 0.15",
          "73 0.15",
          "8 -0.57",
          "9 -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 { 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 {
          "14",
          "1 10 donor",
          "1 11 cation",
          "1 12 acceptor",
          "1 3 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 cation",
          "3 18 19 20 hydrophobe",
          "5 11 22 23 24 25 rings",
          "5 2 39 40 41 42 rings",
          "5 5 32 34 36 37 rings",
          "5 6 12 30 35 38 rings",
          "6 23 25 27 28 29 31 rings",
          "6 9 13 14 15 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      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 4
    }
  }
}