PC-Compounds ::= {
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              69,
              174,
              12,
              197,
              28,
              193,
              16,
              18,
              58,
              47,
              152,
              79,
              163,
              81,
              55,
              82,
              59,
              88,
              190,
              65,
              107,
              199,
              165,
              52,
              4,
              195,
              179,
              3,
              154,
              113,
              181,
              112,
              156,
              150,
              6,
              87,
              200,
              178,
              86,
              189,
              139,
              78,
              38,
              48,
              186,
              188,
              176,
              177,
              25,
              63
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "28",
          "1 -0.56",
          "12 0.34",
          "15 0.28",
          "17 0.28",
          "18 0.28",
          "2 -0.56",
          "21 0.14",
          "22 -0.28",
          "23 0.45",
          "24 0.56",
          "26 -0.29",
          "28 0.34",
          "29 -0.14",
          "3 -0.43",
          "30 -0.14",
          "31 0.54",
          "32 0.66",
          "34 0.06",
          "36 0.66",
          "37 0.06",
          "4 -0.57",
          "5 -0.43",
          "58 0.15",
          "6 -0.57",
          "63 0.15",
          "64 0.15",
          "7 -0.57",
          "8 -0.57"
        }
      },
      {
        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 { 96, 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 {
          "12",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 35 hydrophobe",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "5 1 2 12 15 24 rings",
          "5 9 10 12 14 15 rings",
          "6 11 13 18 19 21 22 rings",
          "6 18 22 26 29 30 31 rings",
          "6 9 10 11 13 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 9,
      atom-chiral-def 4,
      atom-chiral-undef 5,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}