PC-Compounds ::= {
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        value slist {
          "54",
          "1 -0.57",
          "11 0.3",
          "12 0.3",
          "13 0.57",
          "14 0.36",
          "15 0.12",
          "16 0.57",
          "17 0.14",
          "18 0.06",
          "19 -0.15",
          "2 -0.57",
          "20 -0.15",
          "21 -0.14",
          "23 0.54",
          "24 -0.15",
          "25 -0.15",
          "26 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 0.09",
          "31 -0.15",
          "32 -0.15",
          "33 0.08",
          "34 -0.15",
          "35 0.16",
          "37 0.31",
          "38 -0.15",
          "39 -0.15",
          "4 -0.36",
          "40 0.28",
          "41 -0.15",
          "42 -0.15",
          "5 -0.66",
          "55 0.37",
          "56 0.15",
          "57 0.15",
          "6 -0.48",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.73",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "77 0.15",
          "78 0.15",
          "8 -0.62",
          "9 0.3"
        }
      },
      {
        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 { 14, 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 {
          "12",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 27 hydrophobe",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "5 5 9 10 11 12 rings",
          "6 15 19 20 24 25 26 rings",
          "6 21 28 29 31 32 33 rings",
          "6 36 37 38 39 41 42 rings",
          "6 8 30 34 35 36 37 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}