PC-Compounds ::= {
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              102,
              306,
              26,
              420,
              7,
              251,
              353,
              255,
              371,
              153,
              10,
              257,
              298,
              87,
              139,
              237,
              350,
              228,
              191,
              362,
              19,
              367,
              256,
              71,
              98,
              125,
              169,
              61,
              217,
              297,
              133,
              381,
              305,
              124,
              358,
              396,
              165,
              4,
              20,
              127,
              303,
              269,
              181,
              76,
              14,
              175,
              59,
              144,
              370,
              244,
              3,
              141,
              387,
              55,
              116,
              22,
              195,
              276,
              201,
              23,
              316,
              9,
              231,
              220,
              382,
              148,
              262,
              121,
              150,
              160,
              212,
              295,
              386,
              281,
              130,
              25,
              374,
              369,
              6,
              73,
              163,
              267,
              137,
              158,
              309,
              5,
              106,
              278,
              274,
              319,
              210,
              84,
              356,
              86,
              97,
              171,
              301,
              35,
              164,
              391,
              37,
              44,
              296,
              68,
              336,
              247,
              288,
              376,
              397,
              95,
              2,
              204,
              193,
              282,
              327,
              280,
              414,
              33,
              188,
              208,
              359,
              57,
              135,
              250,
              67,
              140,
              361,
              170,
              173,
              41,
              289,
              16,
              172,
              331,
              80,
              272,
              46,
              200,
              180,
              388,
              29,
              138,
              89,
              40,
              74,
              179,
              131,
              346,
              345,
              103,
              214,
              310,
              90,
              136,
              389,
              407,
              162,
              105,
              152,
              77,
              233,
              230,
              354,
              62,
              143,
              410,
              258,
              31,
              132,
              199,
              357,
              156,
              118,
              113,
              93,
              197,
              364,
              225,
              119,
              315,
              53
            }
          }
        }
      }
    },
    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 {
          "33",
          "1 -0.08",
          "10 0.28",
          "12 0.14",
          "13 0.06",
          "15 -0.28",
          "16 0.06",
          "17 0.14",
          "18 0.45",
          "19 0.28",
          "2 -0.29",
          "21 -0.29",
          "24 0.06",
          "25 0.14",
          "26 0.42",
          "27 0.66",
          "28 -0.28",
          "29 0.14",
          "3 -0.68",
          "30 -0.1",
          "31 0.18",
          "32 -0.11",
          "33 0.43",
          "34 0.23",
          "4 -0.57",
          "5 -0.68",
          "50 0.15",
          "57 0.4",
          "6 -0.43",
          "63 0.4",
          "67 0.15",
          "68 0.15",
          "7 -0.57",
          "8 -0.57"
        }
      },
      {
        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 { 54, 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 {
          "12",
          "1 29 hydrophobe",
          "1 3 acceptor",
          "1 3 donor",
          "1 34 hydrophobe",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 5 donor",
          "1 7 acceptor",
          "1 8 acceptor",
          "3 16 22 23 hydrophobe",
          "5 1 8 31 32 33 rings",
          "6 9 11 12 14 15 17 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 5,
      atom-chiral-def 2,
      atom-chiral-undef 3,
      bond-chiral 2,
      bond-chiral-def 2,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}