PC-Compounds ::= {
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              130,
              85,
              171,
              269,
              179,
              45,
              95,
              219,
              77,
              89,
              255,
              265,
              313,
              112,
              157,
              221,
              295,
              290,
              67,
              285,
              267,
              14,
              126,
              212,
              18,
              55,
              198,
              15,
              72,
              257,
              251,
              28,
              87,
              268,
              125,
              8,
              229,
              98,
              192,
              217,
              178,
              25,
              252,
              318,
              307,
              186,
              159,
              234,
              36,
              141,
              132,
              216,
              176,
              173,
              220,
              256,
              247,
              59,
              32,
              138,
              46,
              233,
              195,
              273,
              29,
              270,
              62,
              127,
              38,
              298,
              191,
              43,
              300,
              201
            }
          }
        }
      }
    },
    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 {
          "51",
          "1 -0.56",
          "10 0.28",
          "11 0.3",
          "12 0.3",
          "13 0.3",
          "15 -0.24",
          "16 0.71",
          "17 -0.05",
          "19 0.42",
          "2 -0.57",
          "20 0.05",
          "21 -0.15",
          "22 -0.14",
          "23 0.28",
          "25 0.26",
          "26 -0.15",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.68",
          "30 0.3",
          "31 0.78",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 0.08",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.23",
          "40 -0.15",
          "41 -0.15",
          "5 -0.57",
          "6 -0.66",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "69 0.15",
          "7 0.05",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.4",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "8 -0.66"
        }
      },
      {
        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 { 82, 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 {
          "10",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 5 acceptor",
          "1 7 cation",
          "5 7 15 17 18 21 rings",
          "6 18 21 26 28 32 33 rings",
          "6 20 22 27 29 34 35 rings",
          "6 36 37 38 39 40 41 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 3,
      atom-chiral-def 0,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}