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              9,
              55,
              115,
              4,
              108,
              348,
              293,
              2,
              20,
              163,
              77,
              235,
              390,
              3,
              7,
              94,
              58,
              296,
              92,
              248,
              294,
              39,
              282,
              160,
              226,
              279,
              37,
              53,
              41,
              152,
              79,
              42,
              398,
              286,
              74,
              375,
              275,
              140,
              277,
              276,
              145
            }
          }
        }
      }
    },
    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 {
          "45",
          "1 -0.19",
          "13 0.41",
          "14 0.48",
          "15 -0.14",
          "16 0.14",
          "17 -0.14",
          "18 0.01",
          "19 -0.15",
          "2 -0.19",
          "20 -0.15",
          "21 0.3",
          "22 -0.15",
          "23 0.54",
          "24 -0.15",
          "25 -0.15",
          "26 0.23",
          "28 0.09",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 0.19",
          "34 -0.15",
          "35 0.19",
          "36 -0.15",
          "37 -0.15",
          "4 -0.81",
          "5 -0.66",
          "53 0.15",
          "54 0.15",
          "57 0.27",
          "58 0.15",
          "59 0.15",
          "6 0.03",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "8 0.27",
          "9 0.27"
        }
      },
      {
        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 { 102, 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 {
          "9",
          "1 3 acceptor",
          "1 4 cation",
          "1 6 donor",
          "3 6 7 18 cation",
          "5 6 7 18 25 26 rings",
          "6 15 17 19 20 22 24 rings",
          "6 25 26 29 30 31 32 rings",
          "6 28 33 34 35 36 37 rings",
          "6 4 8 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}