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          "31 -0.15",
          "32 0.08",
          "33 -0.15",
          "34 -0.15",
          "35 0.12",
          "36 0.08",
          "37 -0.15",
          "38 -0.14",
          "39 0.28",
          "4 -0.57",
          "40 -0.15",
          "41 0.14",
          "42 -0.15",
          "43 0.28",
          "44 0.28",
          "45 0.06",
          "48 0.66",
          "5 -0.36",
          "6 -0.57",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.4",
          "67 0.15",
          "68 0.15",
          "69 0.37",
          "7 -0.36",
          "70 0.15",
          "71 0.15",
          "75 0.15",
          "78 0.15",
          "8 -0.36",
          "9 -0.65",
          "91 0.5"
        }
      },
      {
        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 { 158, 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 {
          "18",
          "1 10 acceptor",
          "1 12 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "3 13 19 20 hydrophobe",
          "3 44 46 47 hydrophobe",
          "3 9 10 48 anion",
          "6 15 21 25 26 27 28 rings",
          "6 24 29 31 32 33 34 rings",
          "6 35 36 37 38 40 42 rings",
          "7 2 11 15 16 18 21 22 rings"
        }
      }
    },
    count {
      heavy-atom 48,
      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 6
    }
  }
}