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              5,
              203,
              158,
              123,
              11,
              2,
              23,
              121,
              141,
              82,
              176,
              114,
              19,
              148,
              140,
              27,
              118,
              147,
              22,
              138,
              163,
              172,
              69,
              133,
              107,
              26,
              144,
              102,
              13,
              202,
              88,
              3,
              4,
              110,
              49,
              89,
              37,
              130,
              117,
              45,
              173,
              156,
              87,
              189,
              177,
              188,
              149,
              164,
              183,
              84,
              83,
              77,
              206,
              59,
              29,
              175,
              184,
              12,
              100,
              116,
              199,
              34,
              70,
              51,
              129,
              38,
              64,
              143,
              151,
              165,
              146,
              72,
              52,
              8,
              16,
              178,
              174,
              80,
              90,
              76,
              9,
              179,
              128,
              98,
              86,
              44,
              39,
              81,
              63,
              157,
              18,
              124,
              35,
              58,
              7,
              145,
              169,
              181,
              106,
              122,
              93,
              91,
              135,
              31,
              68,
              185,
              196,
              30,
              36,
              162,
              25,
              200,
              61,
              54,
              136,
              119,
              97,
              92,
              66,
              132,
              55,
              67,
              155,
              57,
              126,
              32,
              53,
              56,
              137,
              113
            }
          }
        }
      }
    },
    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 {
          "51",
          "1 0.37",
          "10 0.41",
          "11 -0.14",
          "12 0.41",
          "13 -0.14",
          "15 0.19",
          "16 0.31",
          "17 -0.15",
          "18 0.4",
          "19 0.28",
          "2 -0.5",
          "23 0.3",
          "24 0.3",
          "25 0.27",
          "26 0.27",
          "27 0.54",
          "29 0.41",
          "3 -0.68",
          "30 -0.15",
          "31 -0.15",
          "32 -0.14",
          "33 0.07",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.07",
          "41 -0.15",
          "42 -0.2",
          "43 0.47",
          "44 0.27",
          "45 0.27",
          "5 -0.6",
          "51 0.15",
          "6 -0.66",
          "7 -0.62",
          "73 0.15",
          "74 0.15",
          "75 0.4",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.81",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "9 -0.81"
        }
      },
      {
        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 { 118, 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 {
          "12",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 7 acceptor",
          "1 8 cation",
          "1 9 cation",
          "4 15 20 21 22 hydrophobe",
          "5 5 10 11 12 13 rings",
          "6 28 30 31 33 34 35 rings",
          "6 32 36 37 38 39 41 rings",
          "6 6 8 23 24 25 26 rings",
          "6 7 11 13 16 17 18 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 2,
      atom-chiral-def 1,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}