PC-Compounds ::= {
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              112,
              17,
              91,
              52,
              24,
              45,
              85,
              6,
              107,
              51,
              66,
              76,
              178,
              130,
              213,
              139,
              13,
              206,
              163,
              8,
              162,
              25,
              38,
              105,
              12,
              97,
              86,
              54,
              149,
              69,
              106,
              92,
              10,
              84,
              192,
              161,
              68,
              143,
              117,
              60,
              39,
              196,
              37,
              65,
              122,
              78,
              2,
              9,
              14,
              35,
              29,
              34,
              20,
              40,
              90,
              167,
              201,
              115,
              15,
              173,
              44,
              21,
              145,
              70,
              180,
              18,
              28,
              16,
              41
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "55",
          "1 -0.56",
          "10 -0.68",
          "11 -0.36",
          "12 -0.53",
          "13 -0.57",
          "14 -0.53",
          "15 -0.53",
          "16 0.28",
          "17 0.28",
          "18 0.28",
          "19 0.56",
          "2 -0.56",
          "20 0.56",
          "21 0.28",
          "22 0.28",
          "23 0.28",
          "24 0.28",
          "25 0.28",
          "26 0.28",
          "28 0.08",
          "29 -0.15",
          "3 -0.56",
          "30 -0.15",
          "31 0.08",
          "32 0.09",
          "33 0.42",
          "34 0.08",
          "35 0.06",
          "36 0.42",
          "37 -0.14",
          "38 -0.15",
          "39 -0.15",
          "4 -0.36",
          "40 0.08",
          "41 -0.15",
          "42 0.08",
          "5 -0.68",
          "58 0.4",
          "59 0.4",
          "6 -0.68",
          "60 0.4",
          "61 0.4",
          "62 0.4",
          "63 0.4",
          "64 0.15",
          "65 0.15",
          "69 0.15",
          "7 -0.68",
          "70 0.15",
          "71 0.45",
          "72 0.15",
          "73 0.45",
          "74 0.45",
          "8 -0.68",
          "9 -0.68"
        }
      },
      {
        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 { 9, 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 {
          "26",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 10 donor",
          "1 11 acceptor",
          "1 12 donor",
          "1 13 acceptor",
          "1 14 donor",
          "1 15 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "1 9 donor",
          "6 11 31 32 33 35 36 rings",
          "6 2 16 17 18 20 22 rings",
          "6 28 29 30 31 32 34 rings",
          "6 3 19 21 23 24 25 rings",
          "6 37 38 39 40 41 42 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 11,
      atom-chiral-def 11,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 76
    }
  }
}