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              16,
              95,
              75,
              30,
              79,
              64,
              82,
              109,
              7,
              92,
              152,
              88
            }
          }
        }
      }
    },
    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 {
          "56",
          "1 -0.36",
          "10 -0.09",
          "11 0.14",
          "12 0.14",
          "15 -0.14",
          "16 -0.14",
          "17 -0.15",
          "19 -0.14",
          "2 -0.57",
          "20 -0.14",
          "21 -0.15",
          "22 -0.15",
          "23 -0.15",
          "24 -0.15",
          "25 0.57",
          "26 -0.18",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.65",
          "30 -0.15",
          "31 -0.11",
          "32 0.06",
          "33 0.09",
          "38 0.08",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 0.66",
          "5 0.33",
          "55 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.33",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "7 0.57",
          "8 0.18",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "85 0.15",
          "86 0.15",
          "87 0.15",
          "88 0.5",
          "9 -0.2"
        }
      },
      {
        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 { 14, 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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "3 13 34 35 hydrophobe",
          "3 14 36 37 hydrophobe",
          "3 3 4 45 anion",
          "5 5 6 9 10 17 rings",
          "6 15 19 21 23 27 29 rings",
          "6 16 20 22 24 28 30 rings",
          "6 33 38 40 42 43 44 rings",
          "6 5 9 26 31 39 41 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}