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          "50",
          "1 -0.36",
          "10 -0.81",
          "11 -0.82",
          "12 -0.7",
          "13 0.37",
          "16 0.27",
          "17 0.27",
          "18 0.41",
          "19 -0.14",
          "2 -0.36",
          "20 0.41",
          "21 0.1",
          "22 0.08",
          "24 -0.15",
          "25 -0.15",
          "26 0.31",
          "27 -0.15",
          "28 -0.15",
          "29 0.72",
          "3 -0.36",
          "30 0.37",
          "31 0.37",
          "32 -0.15",
          "33 0.28",
          "34 0.08",
          "35 0.08",
          "36 0.37",
          "37 0.27",
          "38 0.06",
          "39 0.44",
          "4 -0.81",
          "40 0.37",
          "41 0.25",
          "42 0.27",
          "43 0.27",
          "44 0.28",
          "45 0.28",
          "5 -0.87",
          "57 0.4",
          "58 0.15",
          "59 0.15",
          "6 -0.84",
          "60 0.15",
          "61 0.15",
          "68 0.15",
          "7 -0.62",
          "71 0.4",
          "8 -0.62",
          "80 0.4",
          "9 -0.87"
        }
      },
      {
        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 { 168, 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 {
          "16",
          "1 1 acceptor",
          "1 10 cation",
          "1 11 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 cation",
          "1 5 donor",
          "1 6 cation",
          "1 9 donor",
          "3 11 12 39 cation",
          "4 7 8 9 29 cation",
          "5 11 12 39 40 41 rings",
          "6 19 21 22 24 25 27 rings",
          "6 23 26 28 32 34 35 rings",
          "6 4 13 14 15 16 17 rings",
          "6 7 8 20 23 26 29 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 9
    }
  }
}