PC-Compounds ::= {
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          "39 1.16",
          "4 -0.34",
          "40 -0.15",
          "41 -0.15",
          "42 -0.14",
          "43 0.28",
          "44 1.16",
          "5 -0.34",
          "51 0.4",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.34",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "7 -0.34",
          "8 -0.34",
          "9 -0.34"
        }
      },
      {
        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 {
          "7",
          "1 11 acceptor",
          "1 14 donor",
          "4 12 13 14 18 cation",
          "6 12 13 15 16 17 18 rings",
          "6 20 25 26 30 31 32 rings",
          "6 21 27 28 33 34 35 rings",
          "6 29 36 37 40 41 42 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}