PC-Compounds ::= {
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              10,
              102,
              162,
              97,
              66,
              155,
              11,
              134,
              176,
              174,
              103,
              275,
              148,
              51,
              244,
              41,
              164,
              44,
              223,
              52,
              12,
              157,
              147,
              85,
              253,
              188,
              135,
              114,
              5,
              67
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "47",
          "1 1.33",
          "10 0.31",
          "11 -0.42",
          "12 0.42",
          "14 0.11",
          "15 0.57",
          "17 0.3",
          "18 0.5",
          "19 0.48",
          "2 -0.65",
          "22 -0.14",
          "23 0.05",
          "24 -0.15",
          "25 -0.15",
          "26 -0.3",
          "27 -0.15",
          "28 -0.15",
          "3 -0.65",
          "30 0.44",
          "32 -0.04",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 0.08",
          "39 -0.15",
          "4 -0.57",
          "40 -0.01",
          "41 0.28",
          "5 -0.28",
          "6 -0.36",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.85",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "8 -0.66",
          "9 -0.23"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 11, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "11",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "3 16 20 21 hydrophobe",
          "5 5 32 37 39 40 rings",
          "5 9 10 11 23 26 rings",
          "6 22 24 25 27 28 29 rings",
          "6 31 33 34 35 36 38 rings",
          "7 1 7 8 12 14 15 17 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      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
    }
  }
}