PC-Compounds ::= {
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              178,
              242,
              38,
              325,
              52,
              303,
              237,
              150,
              214,
              222,
              308,
              8,
              22,
              26,
              171,
              146,
              233,
              175,
              128,
              116,
              154,
              168,
              236,
              360,
              291,
              101,
              60,
              84,
              7,
              163,
              364,
              31,
              100,
              41,
              180,
              211,
              75,
              173,
              58,
              160,
              327,
              16,
              25,
              226,
              315,
              110,
              73,
              240,
              281,
              33,
              30,
              191,
              155,
              244,
              107,
              27,
              255,
              39,
              93,
              29,
              243,
              9,
              292,
              345,
              159,
              113,
              144,
              199,
              288,
              115,
              122,
              164,
              162,
              273,
              263,
              235,
              59,
              13,
              132,
              309,
              339,
              207,
              62,
              48,
              210,
              215,
              172,
              108,
              183
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "41",
          "1 -0.56",
          "10 -0.23",
          "12 0.28",
          "13 0.3",
          "14 0.3",
          "15 0.3",
          "17 0.57",
          "18 0.06",
          "19 0.28",
          "2 -0.57",
          "20 0.46",
          "23 0.26",
          "24 -0.33",
          "25 0.3",
          "26 0.69",
          "27 0.08",
          "28 0.12",
          "3 -0.68",
          "30 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "4 -0.57",
          "5 -0.66",
          "6 -0.66",
          "64 0.15",
          "65 0.4",
          "66 0.37",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 0.31",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "8 -0.42",
          "9 -0.55"
        }
      },
      {
        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 { 88, 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 {
          "9",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 9 donor",
          "5 7 8 10 24 27 rings",
          "6 28 29 30 31 33 34 rings",
          "6 29 31 32 35 36 37 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}