PC-Compounds ::= {
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              240,
              445,
              254,
              222,
              116,
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              110,
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              284,
              153,
              17,
              126,
              341,
              103,
              232,
              307,
              80,
              162,
              402,
              160,
              276,
              29,
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              69,
              357,
              231,
              221,
              354,
              364,
              55,
              296,
              356,
              438,
              293,
              447,
              270,
              94,
              3,
              274,
              272,
              242,
              290,
              294,
              387,
              200,
              335,
              384,
              261,
              48,
              62,
              83,
              430,
              98,
              431,
              451,
              161,
              93,
              421,
              229,
              278,
              163,
              19,
              424,
              78,
              275,
              400,
              130,
              120,
              405,
              370,
              382,
              353,
              318,
              396,
              320,
              325,
              407,
              434,
              70,
              33,
              105,
              75,
              362,
              363,
              358,
              122,
              233,
              159,
              169,
              324,
              300,
              453,
              20,
              157,
              183,
              119,
              337,
              409,
              347,
              173,
              389,
              323,
              291,
              306,
              348,
              117,
              415,
              2,
              150,
              118,
              65,
              378,
              133,
              45,
              298,
              443,
              196,
              58,
              188,
              321,
              303,
              452,
              177,
              331,
              88,
              175,
              211,
              360,
              426,
              213,
              243,
              237,
              89,
              101,
              81,
              316,
              46,
              102,
              439,
              401,
              134,
              6,
              155,
              35,
              339,
              308,
              171,
              351,
              12,
              100,
              201,
              336,
              147,
              281,
              329,
              412,
              346,
              265,
              218,
              27,
              249,
              107,
              225,
              206,
              433,
              76,
              330,
              28,
              53,
              97,
              40,
              49,
              326,
              143,
              297,
              250,
              216,
              178,
              131,
              392,
              219,
              123,
              238,
              390,
              180,
              264,
              31,
              87,
              311,
              124,
              203,
              185,
              368,
              263,
              404,
              192,
              74,
              227,
              344,
              139,
              333,
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              241,
              114,
              256,
              365,
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              198,
              66,
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              252,
              63,
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              425,
              26,
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              140,
              92,
              197,
              50,
              355,
              235,
              41,
              393,
              67,
              343,
              408,
              285,
              258,
              47,
              181,
              77,
              144,
              56,
              410,
              301,
              51,
              91,
              230,
              149,
              449,
              380,
              269,
              30,
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              43,
              36,
              129,
              377,
              142,
              99,
              34,
              413,
              61,
              82,
              79,
              199,
              152,
              44,
              10,
              125,
              224,
              383,
              113,
              16,
              42,
              38,
              13,
              427
            }
          }
        }
      }
    },
    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 {
          "64",
          "1 1.51",
          "10 -0.55",
          "11 -0.55",
          "12 -0.54",
          "13 -0.77",
          "14 -0.77",
          "15 -0.7",
          "16 -0.77",
          "17 -0.77",
          "18 -0.7",
          "19 -0.7",
          "2 1.51",
          "20 -0.57",
          "21 0.05",
          "22 -0.57",
          "23 -0.57",
          "24 -0.57",
          "25 -0.62",
          "26 -0.9",
          "27 -0.8",
          "28 0.28",
          "29 0.28",
          "3 1.51",
          "30 0.54",
          "31 0.28",
          "32 0.28",
          "33 0.28",
          "34 0.28",
          "35 0.65",
          "36 0.28",
          "37 0.28",
          "38 0.11",
          "39 0.04",
          "4 -0.56",
          "40 -0.05",
          "41 0.23",
          "42 -0.05",
          "43 -0.12",
          "44 0.28",
          "45 -0.29",
          "46 0.41",
          "47 0.47",
          "48 0.62",
          "5 -0.56",
          "6 -0.55",
          "61 0.4",
          "62 0.15",
          "63 0.4",
          "64 0.4",
          "65 0.15",
          "66 0.15",
          "69 0.15",
          "7 -0.68",
          "70 0.5",
          "71 0.5",
          "72 0.15",
          "73 0.5",
          "74 0.5",
          "75 0.4",
          "76 0.4",
          "77 0.37",
          "78 0.37",
          "8 -0.68",
          "9 -0.68"
        }
      },
      {
        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 { 154, 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 {
          "29",
          "1 13 acceptor",
          "1 14 acceptor",
          "1 15 acceptor",
          "1 16 acceptor",
          "1 17 acceptor",
          "1 18 acceptor",
          "1 19 acceptor",
          "1 20 acceptor",
          "1 22 cation",
          "1 26 cation",
          "1 26 donor",
          "1 27 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "1 9 donor",
          "3 21 23 39 cation",
          "3 21 24 38 cation",
          "3 24 25 47 cation",
          "4 1 13 14 15 anion",
          "5 21 23 38 39 41 rings",
          "5 4 28 29 30 31 rings",
          "5 5 32 33 34 35 rings",
          "6 22 40 42 43 44 45 rings",
          "6 24 25 38 41 46 47 rings"
        }
      }
    },
    count {
      heavy-atom 48,
      atom-chiral 8,
      atom-chiral-def 8,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}