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      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "50",
          "1 -0.57",
          "10 -0.73",
          "11 0.06",
          "12 0.14",
          "14 0.3",
          "15 0.3",
          "16 0.57",
          "18 0.3",
          "19 -0.14",
          "2 -0.57",
          "20 0.3",
          "21 0.57",
          "22 -0.15",
          "23 -0.15",
          "26 0.36",
          "27 -0.15",
          "28 -0.15",
          "29 0.18",
          "3 -0.57",
          "30 -0.15",
          "31 -0.18",
          "32 0.57",
          "33 0.36",
          "35 -0.3",
          "36 -0.15",
          "39 -0.15",
          "4 -0.43",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 0.78",
          "44 0.28",
          "5 -0.57",
          "6 -0.66",
          "60 0.15",
          "61 0.15",
          "69 0.15",
          "7 -0.66",
          "70 0.15",
          "73 0.37",
          "74 0.15",
          "75 0.15",
          "76 0.27",
          "8 -0.73",
          "83 0.15",
          "84 0.37",
          "85 0.15",
          "86 0.15",
          "87 0.15",
          "9 0.03"
        }
      },
      {
        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 { 146, 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 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 8 donor",
          "1 9 cation",
          "1 9 donor",
          "3 20 24 25 hydrophobe",
          "3 33 37 38 hydrophobe",
          "4 44 45 46 47 hydrophobe",
          "5 6 11 12 15 16 rings",
          "5 9 31 34 35 36 rings",
          "6 19 22 23 27 28 30 rings",
          "6 34 36 39 40 41 42 rings",
          "6 7 11 13 14 17 18 rings"
        }
      }
    },
    count {
      heavy-atom 47,
      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 4
    }
  }
}