PC-Compounds ::= {
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              70,
              146,
              186,
              262,
              107,
              156,
              189,
              187,
              81,
              85,
              33,
              152,
              6,
              7,
              90,
              111,
              76,
              248,
              19,
              178,
              199,
              74,
              41,
              171,
              233,
              108,
              141,
              155,
              55,
              32,
              39,
              68,
              9,
              30,
              162,
              131,
              133,
              161,
              4,
              80,
              28,
              100,
              94,
              43,
              37,
              63,
              210,
              15,
              65,
              222,
              44,
              246,
              64,
              87,
              255,
              77,
              34,
              50,
              114,
              62,
              176,
              1,
              71,
              26,
              5,
              130,
              237,
              138,
              157,
              112,
              119,
              54,
              12,
              153,
              113,
              24,
              116,
              18,
              49,
              86,
              135,
              75,
              78,
              105,
              148,
              47,
              52,
              22,
              73,
              196,
              20,
              25,
              139,
              2,
              120,
              69,
              11,
              53,
              17
            }
          }
        }
      }
    },
    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 {
          "61",
          "1 -0.19",
          "10 -0.55",
          "11 0.3",
          "12 0.28",
          "15 0.28",
          "16 0.28",
          "17 0.06",
          "18 0.54",
          "19 0.3",
          "2 -0.56",
          "20 0.09",
          "21 0.57",
          "22 0.08",
          "23 -0.15",
          "24 -0.15",
          "25 0.12",
          "26 -0.15",
          "27 0.44",
          "28 -0.14",
          "29 -0.15",
          "3 -0.36",
          "30 -0.15",
          "31 0.69",
          "32 -0.15",
          "33 -0.15",
          "36 0.12",
          "37 -0.15",
          "38 -0.15",
          "39 0.19",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "46 -0.15",
          "5 -0.57",
          "6 -0.57",
          "61 0.15",
          "62 0.15",
          "63 0.37",
          "64 0.15",
          "67 0.37",
          "68 0.15",
          "69 0.15",
          "7 -0.66",
          "70 0.15",
          "71 0.15",
          "72 0.37",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.73",
          "80 0.15",
          "81 0.15",
          "9 -0.55"
        }
      },
      {
        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 { 114, 10, -1 }
      },
      {
        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 {
          "13",
          "1 10 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 donor",
          "1 9 donor",
          "6 2 11 12 13 14 15 rings",
          "6 20 22 23 24 25 26 rings",
          "6 28 29 30 32 33 34 rings",
          "6 35 37 38 41 42 43 rings",
          "6 36 39 40 44 45 46 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      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 6
    }
  }
}