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              197,
              102,
              189,
              125,
              68,
              8,
              181,
              42,
              19,
              227,
              13,
              86,
              121,
              18,
              150,
              25,
              137,
              145,
              50,
              60,
              104,
              4,
              75,
              93,
              158,
              249,
              122,
              204,
              56,
              23,
              14,
              218,
              103,
              187,
              171,
              10,
              175,
              250,
              16,
              36,
              203,
              53,
              241,
              35,
              194,
              51,
              73,
              113,
              1,
              80,
              205,
              64,
              6,
              26,
              147,
              105,
              92,
              201,
              101,
              7,
              178,
              94,
              240,
              190,
              225,
              21,
              199,
              29,
              85,
              84,
              62,
              142
            }
          }
        }
      }
    },
    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 {
          "52",
          "1 -0.57",
          "13 0.33",
          "14 0.57",
          "15 0.33",
          "18 0.18",
          "19 0.57",
          "2 -0.57",
          "20 -0.18",
          "22 0.3",
          "23 0.29",
          "24 -0.3",
          "25 -0.15",
          "26 -0.14",
          "27 -0.14",
          "28 -0.15",
          "29 -0.15",
          "3 -0.73",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.9",
          "40 -0.15",
          "41 -0.15",
          "5 -0.73",
          "53 0.37",
          "55 0.36",
          "6 0.03",
          "64 0.37",
          "68 0.15",
          "69 0.27",
          "7 0.3",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 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 { 142, 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 {
          "14",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 donor",
          "1 4 cation",
          "1 4 donor",
          "1 5 donor",
          "1 6 cation",
          "1 6 donor",
          "3 13 16 17 hydrophobe",
          "5 6 20 21 24 25 rings",
          "6 21 25 28 29 30 31 rings",
          "6 26 32 34 36 38 40 rings",
          "6 27 33 35 37 39 41 rings",
          "6 7 8 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}