PC-Compounds ::= {
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              298,
              287,
              257,
              333,
              215,
              415,
              347,
              185,
              151,
              279,
              28,
              301,
              436,
              111,
              269,
              42,
              426,
              2,
              207,
              439,
              324,
              189,
              109,
              300,
              164,
              274,
              124,
              411,
              369,
              211,
              49,
              344,
              107,
              30,
              393,
              26,
              396,
              227,
              332,
              310,
              138,
              168,
              317,
              414,
              388,
              163,
              53,
              270,
              433,
              174,
              136,
              117,
              346,
              21,
              406,
              340,
              67,
              314,
              16,
              204,
              102,
              417,
              142,
              134,
              229,
              358,
              289,
              359,
              307,
              421,
              177,
              19,
              44,
              29,
              409,
              129,
              31,
              27,
              59,
              118,
              116,
              308,
              416,
              106,
              318,
              355,
              193,
              364,
              297,
              252,
              221,
              206,
              73
            }
          }
        }
      }
    },
    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 {
          "53",
          "1 1.51",
          "10 -0.55",
          "11 -0.77",
          "12 -0.7",
          "13 -0.57",
          "14 -0.57",
          "15 -0.77",
          "16 -0.77",
          "17 -0.7",
          "18 -0.57",
          "19 -0.57",
          "2 1.51",
          "20 -0.47",
          "21 -0.47",
          "22 -0.49",
          "23 -0.49",
          "24 0.28",
          "25 0.28",
          "26 0.28",
          "27 0.58",
          "28 0.28",
          "29 0.28",
          "3 -0.56",
          "30 0.28",
          "31 0.58",
          "32 0.28",
          "33 0.28",
          "34 0.69",
          "35 -0.04",
          "36 0.69",
          "37 -0.04",
          "38 -0.14",
          "39 -0.14",
          "4 -0.56",
          "40 0.62",
          "41 0.62",
          "5 -0.55",
          "54 0.4",
          "55 0.4",
          "56 0.4",
          "57 0.15",
          "58 0.15",
          "59 0.37",
          "6 -0.68",
          "60 0.15",
          "61 0.5",
          "62 0.37",
          "63 0.15",
          "64 0.5",
          "65 0.5",
          "7 -0.55",
          "8 -0.68",
          "9 -0.68"
        }
      },
      {
        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 { 12, 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 {
          "24",
          "1 11 acceptor",
          "1 12 acceptor",
          "1 13 acceptor",
          "1 14 acceptor",
          "1 15 acceptor",
          "1 16 acceptor",
          "1 17 acceptor",
          "1 18 acceptor",
          "1 19 acceptor",
          "1 22 donor",
          "1 23 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "1 9 donor",
          "4 2 15 16 17 anion",
          "5 3 24 25 26 27 rings",
          "5 4 28 29 30 31 rings",
          "6 20 22 34 35 38 40 rings",
          "6 21 23 36 37 39 41 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 8,
      atom-chiral-def 8,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 9
    }
  }
}