PC-Compounds ::= {
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    },
    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 {
          "47",
          "1 -0.57",
          "10 0.14",
          "12 0.3",
          "13 0.3",
          "14 0.57",
          "16 0.3",
          "17 -0.14",
          "18 0.57",
          "19 0.3",
          "2 -0.57",
          "20 -0.15",
          "21 -0.15",
          "22 0.36",
          "23 0.18",
          "24 -0.15",
          "25 -0.15",
          "26 -0.15",
          "27 -0.18",
          "28 0.57",
          "3 -0.57",
          "30 0.33",
          "31 -0.3",
          "32 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "4 -0.66",
          "5 -0.66",
          "53 0.15",
          "54 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.73",
          "60 0.37",
          "61 0.15",
          "62 0.15",
          "63 0.27",
          "7 0.03",
          "70 0.15",
          "71 0.36",
          "72 0.36",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "8 -0.99",
          "9 0.06"
        }
      },
      {
        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 { 96, 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 {
          "14",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 6 donor",
          "1 7 cation",
          "1 7 donor",
          "1 8 cation",
          "1 8 donor",
          "3 30 33 34 hydrophobe",
          "5 4 9 10 13 14 rings",
          "5 7 27 29 31 32 rings",
          "6 17 20 21 24 25 26 rings",
          "6 29 32 35 36 37 38 rings",
          "6 5 9 11 12 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 3,
      atom-chiral-def 1,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}