PC-Compounds ::= {
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          "13 -0.05",
          "14 -0.05",
          "15 0.65",
          "16 0.46",
          "17 0.14",
          "18 -0.14",
          "19 0.57",
          "2 -0.68",
          "20 0.1",
          "21 0.28",
          "22 0.08",
          "23 0.06",
          "24 -0.15",
          "25 -0.15",
          "26 0.09",
          "27 0.78",
          "28 0.42",
          "29 0.78",
          "3 -0.43",
          "30 0.12",
          "31 0.12",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 0.1",
          "43 0.1",
          "49 0.4",
          "5 -0.23",
          "53 0.15",
          "54 0.15",
          "55 0.06",
          "56 0.37",
          "57 0.37",
          "58 0.15",
          "59 0.15",
          "6 -0.57",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "7 -0.57",
          "8 -0.57",
          "9 -0.36"
        }
      },
      {
        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 { 118, 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 {
          "13",
          "1 11 donor",
          "1 12 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "6 1 10 15 17 18 20 rings",
          "6 18 20 22 24 25 26 rings",
          "6 30 32 33 36 37 38 rings",
          "6 31 34 35 39 40 41 rings",
          "7 1 9 10 13 14 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 4,
      atom-chiral-def 0,
      atom-chiral-undef 4,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}