PC-Compounds ::= {
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              48,
              94,
              36,
              183,
              199,
              86,
              134,
              231,
              89,
              259,
              200,
              44,
              124,
              3,
              172,
              138,
              238,
              30,
              273,
              192,
              249
            }
          }
        }
      }
    },
    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 {
          "43",
          "1 -0.56",
          "10 0.3",
          "11 0.28",
          "14 0.28",
          "15 0.28",
          "16 0.06",
          "17 0.54",
          "18 0.3",
          "19 0.09",
          "2 -0.36",
          "20 0.57",
          "21 0.08",
          "22 -0.15",
          "23 -0.15",
          "24 0.44",
          "25 0.12",
          "26 -0.15",
          "27 -0.14",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 0.69",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 0.3",
          "4 -0.57",
          "5 -0.57",
          "51 0.37",
          "52 0.15",
          "53 0.15",
          "55 0.15",
          "59 0.37",
          "6 -0.66",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.37",
          "7 -0.73",
          "8 -0.55",
          "9 -0.73"
        }
      },
      {
        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 { 104, 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 {
          "11",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 donor",
          "1 8 donor",
          "1 9 donor",
          "6 1 10 11 12 13 14 rings",
          "6 19 21 22 23 25 26 rings",
          "6 27 29 30 32 33 34 rings"
        }
      }
    },
    count {
      heavy-atom 36,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}