PC-Compounds ::= {
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              158,
              172,
              204,
              265,
              165,
              314,
              25,
              23,
              275,
              2,
              140,
              87,
              52,
              145,
              64,
              12,
              222,
              122,
              100,
              152,
              297,
              155,
              106,
              147,
              292,
              112,
              70,
              5,
              7,
              273,
              14,
              50
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "44",
          "1 -0.57",
          "11 0.3",
          "12 0.3",
          "13 0.57",
          "14 0.36",
          "15 -0.15",
          "16 -0.3",
          "17 0.18",
          "19 -0.15",
          "2 -0.57",
          "20 -0.18",
          "21 -0.15",
          "22 -0.15",
          "23 0.57",
          "25 0.33",
          "26 -0.15",
          "27 -0.3",
          "28 -0.15",
          "29 -0.15",
          "3 -0.66",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "4 0.05",
          "46 0.15",
          "49 0.15",
          "5 -0.73",
          "50 0.37",
          "51 0.15",
          "52 0.15",
          "53 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.27",
          "6 0.03",
          "63 0.15",
          "64 0.15",
          "65 0.36",
          "66 0.36",
          "67 0.15",
          "68 0.15",
          "7 -0.99",
          "8 0.26"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 92, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "14",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 4 cation",
          "1 5 donor",
          "1 6 cation",
          "1 6 donor",
          "1 7 cation",
          "1 7 donor",
          "3 25 30 31 hydrophobe",
          "5 4 15 16 18 19 rings",
          "5 6 20 24 27 29 rings",
          "6 15 18 21 22 26 28 rings",
          "6 24 29 32 33 34 35 rings",
          "6 3 8 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 35,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}