PC-Compounds ::= {
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              40,
              121,
              373,
              188,
              342,
              175,
              34,
              168,
              152,
              383,
              265,
              286,
              150,
              343,
              288,
              96,
              350,
              395,
              261,
              349,
              263,
              2,
              256,
              259,
              414,
              145,
              387,
              201,
              5,
              194,
              353,
              299,
              87,
              52,
              46,
              7,
              153,
              106,
              282,
              355,
              400,
              421,
              352,
              408,
              56,
              212,
              396,
              346,
              234,
              125,
              36,
              114,
              133,
              221,
              31,
              334,
              272,
              347,
              4,
              345,
              295,
              417,
              214,
              72,
              45,
              390,
              326,
              164,
              273,
              131,
              25,
              248,
              433,
              202,
              258,
              363,
              33,
              16,
              244,
              74,
              8,
              68,
              6,
              13
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "57",
          "1 -0.68",
          "10 0.1",
          "11 -0.14",
          "12 0.57",
          "13 -0.14",
          "14 -0.14",
          "15 0.66",
          "16 -0.15",
          "17 -0.15",
          "18 -0.15",
          "19 -0.15",
          "2 -0.36",
          "20 -0.15",
          "21 0.08",
          "22 -0.15",
          "23 -0.15",
          "24 -0.15",
          "25 -0.15",
          "26 -0.15",
          "27 0.37",
          "28 0.28",
          "29 -0.15",
          "3 -0.65",
          "30 -0.15",
          "31 -0.15",
          "32 0.41",
          "33 0.37",
          "34 -0.15",
          "35 -0.15",
          "36 0.16",
          "37 -0.15",
          "4 -0.57",
          "41 0.4",
          "43 0.15",
          "44 0.15",
          "45 0.15",
          "46 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.87",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "57 0.4",
          "58 0.15",
          "59 0.15",
          "6 -0.84",
          "60 0.5",
          "61 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "7 -0.62",
          "8 0.43",
          "9 0.14"
        }
      },
      {
        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 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 5 donor",
          "1 6 cation",
          "1 7 acceptor",
          "3 3 4 15 anion",
          "6 10 11 16 17 20 22 rings",
          "6 13 18 19 21 23 24 rings",
          "6 14 25 26 29 30 31 rings",
          "6 7 32 34 35 36 37 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 2,
      atom-chiral-def 1,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}