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                  source "OpenEye Scientific Software",
                  release "2019.06.18"
                },
                value fval { 5021, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
              label "Conformer",
              name "RMSD",
              datatype double,
              release "2012.05.21"
            },
            value fval { 18, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.05.21"
            },
            value ivec {
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              83,
              27,
              65,
              5,
              62,
              61,
              57,
              1,
              66,
              33,
              50,
              59,
              43,
              46,
              7,
              9,
              72,
              12,
              20,
              39,
              56,
              76,
              17,
              52,
              25,
              45,
              23,
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              55,
              75,
              49,
              58,
              80,
              63,
              38,
              74,
              29,
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              41,
              40,
              34,
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              32,
              68,
              19,
              18,
              4,
              24,
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              37,
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              81,
              30,
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              15,
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              35,
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              10,
              16,
              21,
              44,
              51,
              26,
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              28,
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              8,
              67,
              82,
              31,
              70,
              14,
              54,
              36,
              11,
              13,
              22,
              53,
              6
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
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          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
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          "10 0.06",
          "11 0.06",
          "16 -0.12",
          "17 -0.12",
          "18 0.49",
          "19 0.49",
          "2 -0.57",
          "20 -0.15",
          "21 -0.15",
          "22 0.14",
          "23 0.14",
          "24 -0.15",
          "25 -0.15",
          "26 -0.14",
          "27 -0.14",
          "28 0.14",
          "29 0.14",
          "3 -0.56",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.14",
          "37 -0.14",
          "38 -0.29",
          "39 -0.29",
          "4 0.14",
          "40 0.14",
          "41 0.14",
          "42 0.42",
          "43 0.42",
          "5 0.14",
          "64 0.15",
          "65 0.15",
          "72 0.15",
          "73 0.15",
          "8 -0.14",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "85 0.15",
          "86 0.15",
          "87 0.15",
          "9 -0.14"
        }
      },
      {
        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 { 132, 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 {
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          "1 2 acceptor",
          "1 28 hydrophobe",
          "1 29 hydrophobe",
          "1 3 acceptor",
          "1 40 hydrophobe",
          "1 41 hydrophobe",
          "3 4 12 13 hydrophobe",
          "3 5 14 15 hydrophobe",
          "6 4 6 8 10 16 18 rings",
          "6 5 7 9 11 17 19 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 8,
      bond-chiral-def 8,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}