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              90,
              151,
              39,
              34,
              9
            }
          }
        }
      }
    },
    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 {
          "34",
          "1 -0.68",
          "12 0.2",
          "15 -0.29",
          "16 -0.14",
          "17 0.14",
          "18 0.14",
          "19 -0.15",
          "2 -0.57",
          "20 0.14",
          "21 -0.29",
          "22 -0.29",
          "24 -0.14",
          "25 0.14",
          "26 0.42",
          "27 -0.15",
          "28 -0.29",
          "29 0.14",
          "3 -0.43",
          "31 -0.29",
          "32 -0.14",
          "33 0.71",
          "4 -0.57",
          "49 0.4",
          "5 0.28",
          "53 0.15",
          "57 0.15",
          "61 0.15",
          "62 0.15",
          "69 0.15",
          "7 0.06",
          "70 0.15",
          "76 0.15",
          "77 0.15",
          "9 0.45"
        }
      },
      {
        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 { 136, 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 {
          "13",
          "1 1 acceptor",
          "1 1 donor",
          "1 10 hydrophobe",
          "1 11 hydrophobe",
          "1 13 hydrophobe",
          "1 14 hydrophobe",
          "1 2 acceptor",
          "1 20 hydrophobe",
          "1 23 hydrophobe",
          "1 30 hydrophobe",
          "1 4 acceptor",
          "4 17 18 21 22 hydrophobe",
          "6 3 26 29 31 32 33 rings"
        }
      }
    },
    count {
      heavy-atom 33,
      atom-chiral 6,
      atom-chiral-def 6,
      atom-chiral-undef 0,
      bond-chiral 4,
      bond-chiral-def 4,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 5
    }
  }
}