PC-Compounds ::= {
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              150,
              290,
              124,
              235,
              4,
              109,
              299,
              301,
              112,
              213,
              197,
              20,
              134,
              191,
              43,
              18,
              62,
              313,
              3,
              28,
              204,
              314,
              139,
              303,
              210,
              50,
              115,
              253,
              214,
              176,
              121,
              126,
              11,
              113,
              118,
              94,
              200,
              281,
              7,
              78,
              12,
              231,
              318,
              205,
              270,
              9,
              64,
              211,
              284,
              92,
              42,
              13,
              47,
              135,
              198,
              292,
              217,
              143,
              323,
              248,
              102,
              173,
              229,
              258,
              262,
              277,
              160,
              224,
              6,
              298,
              285,
              41,
              96,
              241,
              157,
              294,
              90,
              149,
              34,
              122,
              232,
              147,
              249,
              264,
              33,
              174,
              242,
              53,
              2,
              120,
              21,
              259,
              65,
              110,
              119,
              243,
              87,
              269,
              71,
              291,
              148,
              194,
              88,
              31,
              219,
              51,
              99,
              162,
              279,
              315,
              142,
              54,
              24,
              5,
              48,
              275,
              181,
              72,
              170,
              327,
              180,
              153,
              116,
              85,
              80,
              68,
              66,
              63,
              185,
              89,
              79,
              39,
              245,
              265,
              25
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "57",
          "1 1.68",
          "10 -0.99",
          "11 0.14",
          "12 0.5",
          "13 -0.14",
          "16 0.36",
          "17 0.27",
          "18 0.27",
          "19 0.9",
          "2 -0.65",
          "20 -0.15",
          "21 -0.15",
          "22 0.36",
          "23 -0.01",
          "24 -0.15",
          "25 -0.15",
          "26 0.18",
          "27 -0.15",
          "28 -0.15",
          "29 -0.18",
          "3 -0.65",
          "30 0.57",
          "31 -0.15",
          "32 -0.15",
          "34 0.33",
          "35 -0.3",
          "36 -0.15",
          "37 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "5 -0.57",
          "54 0.36",
          "55 0.15",
          "56 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.64",
          "62 0.37",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.27",
          "7 -0.9",
          "76 0.15",
          "77 0.36",
          "78 0.36",
          "79 0.15",
          "8 -0.73",
          "80 0.15",
          "81 0.15",
          "9 0.03"
        }
      },
      {
        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 { 104, 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 {
          "18",
          "1 10 cation",
          "1 10 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 cation",
          "1 7 donor",
          "1 8 donor",
          "1 9 cation",
          "1 9 donor",
          "3 34 38 39 hydrophobe",
          "5 6 11 12 13 16 rings",
          "5 9 29 33 35 37 rings",
          "6 13 16 20 21 24 25 rings",
          "6 23 27 28 31 32 36 rings",
          "6 33 37 40 41 42 43 rings",
          "6 7 11 14 15 17 18 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}