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              19,
              56,
              227,
              206,
              191,
              84,
              110,
              36,
              70,
              103,
              107,
              20,
              31,
              52,
              108,
              87,
              141,
              10,
              100,
              66,
              140,
              92,
              137,
              133,
              184,
              234,
              61,
              238,
              105,
              147,
              223,
              17,
              29,
              209,
              208,
              63,
              54,
              118,
              161,
              192,
              55,
              40,
              102,
              153,
              12,
              119,
              128,
              226,
              231,
              91,
              90,
              158,
              218,
              99,
              18,
              160,
              219,
              205,
              186,
              6
            }
          }
        }
      }
    },
    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 1.51",
          "10 -0.81",
          "11 0.05",
          "12 0.05",
          "13 -0.57",
          "14 -0.57",
          "15 -0.57",
          "16 -0.57",
          "17 -0.62",
          "18 -0.62",
          "19 -0.9",
          "2 -0.55",
          "20 -0.9",
          "21 0.28",
          "22 0.28",
          "23 0.28",
          "24 0.28",
          "26 0.28",
          "27 0.54",
          "28 0.54",
          "29 0.28",
          "3 -0.56",
          "30 0.27",
          "31 0.27",
          "34 0.28",
          "35 0.11",
          "36 0.11",
          "37 0.04",
          "38 0.04",
          "39 0.23",
          "4 -0.56",
          "40 0.28",
          "41 0.23",
          "42 0.41",
          "43 0.41",
          "44 0.47",
          "45 0.47",
          "5 -0.55",
          "6 -0.56",
          "67 0.4",
          "68 0.15",
          "69 0.15",
          "7 -0.68",
          "73 0.4",
          "74 0.15",
          "75 0.15",
          "76 0.4",
          "77 0.4",
          "78 0.4",
          "79 0.4",
          "8 -0.7",
          "9 -0.68"
        }
      },
      {
        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 { 13, 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 {
          "25",
          "1 19 cation",
          "1 19 donor",
          "1 20 cation",
          "1 20 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 9 acceptor",
          "1 9 donor",
          "3 11 13 37 cation",
          "3 11 15 35 cation",
          "3 12 14 38 cation",
          "3 12 16 36 cation",
          "3 15 17 44 cation",
          "3 16 18 45 cation",
          "5 10 30 31 32 33 rings",
          "5 11 13 35 37 39 rings",
          "5 12 14 36 38 41 rings",
          "5 3 22 23 24 27 rings",
          "5 4 21 25 26 28 rings",
          "6 15 17 35 39 42 44 rings",
          "6 16 18 36 41 43 45 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 8,
      atom-chiral-def 5,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 9
    }
  }
}