PC-Compounds ::= {
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              240,
              140,
              78,
              157,
              209,
              190,
              101,
              3,
              69,
              192,
              144,
              123,
              158,
              130,
              62,
              180,
              52,
              22,
              115,
              54,
              167,
              227,
              249,
              162,
              212,
              64,
              124,
              36,
              195,
              31,
              63,
              80,
              200,
              226,
              19,
              5,
              4
            }
          }
        }
      }
    },
    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 {
          "40",
          "1 -0.18",
          "10 -0.66",
          "11 0.3",
          "14 0.12",
          "15 0.14",
          "16 -0.14",
          "17 0.57",
          "18 -0.14",
          "2 -0.56",
          "22 0.34",
          "23 0.57",
          "24 0.06",
          "25 -0.15",
          "26 -0.15",
          "27 -0.14",
          "28 0.18",
          "29 0.06",
          "3 -0.57",
          "30 0.3",
          "31 0.57",
          "32 0.3",
          "35 0.08",
          "36 -0.15",
          "37 0.66",
          "38 0.08",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 0.56",
          "5 -0.36",
          "6 -0.36",
          "60 0.15",
          "61 0.15",
          "7 -0.65",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "76 0.5",
          "8 -0.57",
          "9 -0.48"
        }
      },
      {
        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 { 9, 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 {
          "15",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "3 7 8 37 anion",
          "4 12 19 20 21 hydrophobe",
          "5 5 6 35 38 41 rings",
          "6 10 29 30 32 33 34 rings",
          "6 14 16 18 25 26 28 rings",
          "6 27 35 36 38 39 40 rings",
          "6 9 11 13 14 15 16 rings",
          "7 2 9 14 17 18 22 23 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 4,
      atom-chiral-def 3,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}