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          "30 0.28",
          "33 -0.14",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 0.08",
          "38 0.18",
          "39 -0.15",
          "4 -0.57",
          "40 0.08",
          "41 -0.15",
          "42 -0.15",
          "43 0.28",
          "44 0.28",
          "5 -0.65",
          "6 -0.68",
          "7 -0.57",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.5",
          "79 0.4",
          "8 -0.36",
          "80 0.15",
          "81 0.15",
          "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 { 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 {
          "15",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "3 22 31 32 hydrophobe",
          "3 5 7 29 anion",
          "6 12 13 14 15 16 17 rings",
          "6 27 28 34 35 36 38 rings",
          "6 33 37 39 40 41 42 rings",
          "7 2 11 21 24 26 27 28 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 3,
      atom-chiral-def 2,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}