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          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "52",
          "1 -0.68",
          "11 0.28",
          "15 0.06",
          "16 0.14",
          "17 0.57",
          "18 -0.14",
          "19 0.36",
          "2 -0.57",
          "20 0.08",
          "21 -0.15",
          "22 0.18",
          "23 -0.18",
          "24 0.66",
          "25 -0.15",
          "26 -0.15",
          "27 -0.15",
          "29 -0.3",
          "3 -0.36",
          "30 -0.15",
          "31 -0.15",
          "32 0.28",
          "33 -0.15",
          "34 0.42",
          "35 -0.15",
          "36 -0.15",
          "37 -0.14",
          "38 -0.15",
          "39 -0.15",
          "4 -0.43",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "5 -0.57",
          "58 0.4",
          "59 0.37",
          "6 -0.73",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.27",
          "69 0.15",
          "7 0.03",
          "73 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "80 0.15",
          "81 0.15",
          "82 0.15"
        }
      },
      {
        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 { 152, 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 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 6 donor",
          "1 7 cation",
          "1 7 donor",
          "5 7 23 28 29 30 rings",
          "6 18 20 21 25 26 27 rings",
          "6 28 30 31 33 35 36 rings",
          "6 37 38 39 40 41 42 rings",
          "6 8 9 10 12 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 3,
      atom-chiral-def 1,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}