PC-Compounds ::= {
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              223,
              42,
              5,
              401,
              266,
              240,
              153,
              414,
              76,
              291,
              133,
              407,
              96,
              18,
              439,
              39,
              366,
              419,
              225,
              367,
              16,
              295,
              246,
              228,
              337,
              236,
              422,
              263,
              342,
              278,
              388,
              329,
              115,
              203,
              28,
              173,
              73,
              109,
              272,
              33,
              264,
              376,
              281,
              14,
              157,
              111,
              362,
              434,
              229,
              113,
              292,
              282,
              134,
              427,
              98,
              340,
              327,
              94,
              91,
              435,
              184,
              224,
              412,
              413,
              227,
              386,
              55,
              185,
              296,
              15,
              423,
              370,
              208,
              258,
              406,
              51,
              373,
              150,
              381,
              163,
              34,
              176,
              80,
              143,
              122,
              37,
              346,
              195,
              145,
              394,
              360,
              53,
              108,
              311,
              328,
              290,
              301,
              31,
              135,
              160,
              52,
              250,
              107,
              129,
              289,
              396,
              56,
              142,
              221,
              211,
              241,
              408,
              417,
              162,
              314,
              48,
              43,
              341,
              8,
              149,
              178,
              128,
              191,
              425,
              424,
              199,
              69,
              334,
              226,
              255,
              74,
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              158,
              78,
              390,
              280,
              32,
              41,
              248,
              257,
              188,
              426,
              141,
              180,
              164,
              273,
              189,
              6,
              364,
              392,
              235,
              256,
              377,
              279,
              21,
              242,
              421,
              123,
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              309,
              155,
              118,
              312,
              7,
              136,
              20,
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              201,
              231,
              49,
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              10,
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              300,
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              302,
              87,
              316,
              239,
              380,
              165,
              206,
              26,
              11,
              260,
              251,
              130,
              397,
              369,
              99,
              319,
              30,
              102,
              120,
              284,
              138,
              222,
              402,
              286,
              24,
              19,
              103,
              252
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "54",
          "1 -0.57",
          "11 0.37",
          "12 0.37",
          "13 0.57",
          "14 0.36",
          "15 0.57",
          "16 0.3",
          "17 0.18",
          "18 0.18",
          "19 0.1",
          "2 -0.57",
          "20 -0.18",
          "21 -0.18",
          "22 -0.15",
          "23 -0.15",
          "26 -0.3",
          "27 -0.3",
          "28 -0.15",
          "29 -0.15",
          "3 -0.66",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.84",
          "40 -0.15",
          "5 -0.73",
          "52 0.37",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 0.03",
          "60 0.15",
          "61 0.27",
          "62 0.15",
          "63 0.15",
          "64 0.27",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 0.03",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "8 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 { 76, 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 {
          "15",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 4 cation",
          "1 5 donor",
          "1 6 cation",
          "1 6 donor",
          "1 7 cation",
          "1 7 donor",
          "5 6 20 24 26 28 rings",
          "5 7 21 25 27 29 rings",
          "6 19 22 23 30 31 33 rings",
          "6 24 28 32 35 37 39 rings",
          "6 25 29 34 36 38 40 rings",
          "6 3 5 8 13 14 15 rings",
          "6 4 8 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      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
    }
  }
}