PC-Compounds ::= {
  {
    id {
      id cid 6364518
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44
      },
      element {
        as,
        s,
        s,
        na,
        na,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 4,
          value 1
        },
        {
          aid 5,
          value 1
        },
        {
          aid 7,
          value -1
        },
        {
          aid 10,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        2,
        2,
        2,
        3,
        3,
        3,
        3,
        6,
        13,
        14,
        16,
        16,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        20,
        21,
        21,
        22,
        23,
        23,
        25,
        26,
        26,
        27,
        28,
        28,
        29,
        30,
        30,
        31,
        31,
        32,
        32,
        33
      },
      aid2 {
        13,
        14,
        15,
        29,
        7,
        8,
        9,
        21,
        10,
        11,
        12,
        25,
        24,
        43,
        44,
        17,
        20,
        28,
        38,
        19,
        20,
        26,
        22,
        23,
        24,
        22,
        24,
        34,
        25,
        35,
        27,
        27,
        36,
        37,
        29,
        30,
        31,
        32,
        39,
        33,
        40,
        33,
        41,
        42
      },
      order {
        single,
        single,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      planar {
        left 16,
        ltop -1,
        lbottom 17,
        right 20,
        rtop 18,
        rbottom 24,
        parity any,
        type planar
      }
    },
    coords {
      {
        type {
          twod,
          computed,
          units-unknown
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44
        },
        conformers {
          {
            x {
              { 54641, 10, -4 },
              { 2866, 10, -3 },
              { 81282, 10, -4 },
              { 2, 10, 0 },
              { 98602, 10, -4 },
              { 2866, 10, -3 },
              { 2, 10, 0 },
              { 3366, 10, -3 },
              { 2366, 10, -3 },
              { 89923, 10, -4 },
              { 86315, 10, -4 },
              { 76249, 10, -4 },
              { 59641, 10, -4 },
              { 63301, 10, -4 },
              { 49641, 10, -4 },
              { 45981, 10, -4 },
              { 3732, 10, -3 },
              { 54641, 10, -4 },
              { 54641, 10, -4 },
              { 45981, 10, -4 },
              { 3732, 10, -3 },
              { 45981, 10, -4 },
              { 6358, 10, -3 },
              { 3732, 10, -3 },
              { 72641, 10, -4 },
              { 6358, 10, -3 },
              { 72641, 10, -4 },
              { 3732, 10, -3 },
              { 45981, 10, -4 },
              { 2866, 10, -3 },
              { 45981, 10, -4 },
              { 2866, 10, -3 },
              { 3732, 10, -3 },
              { 45981, 10, -4 },
              { 63509, 10, -4 },
              { 63509, 10, -4 },
              { 77998, 10, -4 },
              { 31951, 10, -4 },
              { 23291, 10, -4 },
              { 5135, 10, -3 },
              { 23291, 10, -4 },
              { 3732, 10, -3 },
              { 65841, 10, -4 },
              { 68671, 10, -4 }
            },
            y {
              { -2, 10, 0 },
              { 25, 10, -1 },
              { 25242, 10, -4 },
              { 4, 10, 0 },
              { 25308, 10, -4 },
              { 5, 10, -1 },
              { 3, 10, 0 },
              { 3366, 10, -3 },
              { 1634, 10, -3 },
              { 30275, 10, -4 },
              { 16601, 10, -4 },
              { 33882, 10, -4 },
              { -2866, 10, -3 },
              { -15, 10, -1 },
              { -1134, 10, -3 },
              { -5, 10, -1 },
              { -1, 10, 0 },
              { 1, 10, 0 },
              { 2, 10, 0 },
              { 5, 10, -1 },
              { 2, 10, 0 },
              { 25, 10, -1 },
              { 25347, 10, -4 },
              { 1, 10, 0 },
              { 20208, 10, -4 },
              { 4653, 10, -4 },
              { 9792, 10, -4 },
              { -2, 10, 0 },
              { -25, 10, -1 },
              { -25, 10, -1 },
              { -35, 10, -1 },
              { -35, 10, -1 },
              { -4, 10, 0 },
              { 312, 10, -2 },
              { 31546, 10, -4 },
              { -1546, 10, -4 },
              { 6671, 10, -4 },
              { -69, 10, -2 },
              { -219, 10, -2 },
              { -381, 10, -2 },
              { -381, 10, -2 },
              { -462, 10, -2 },
              { -2866, 10, -3 },
              { -181, 10, -2 }
            },
            style {
              annotation {
                crossed,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                16,
                18,
                18,
                19,
                23,
                25,
                26,
                28,
                28,
                29,
                30,
                31,
                32
              },
              aid2 {
                20,
                19,
                26,
                23,
                25,
                27,
                27,
                29,
                30,
                31,
                32,
                33,
                33
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2011.04.04"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 102, 10, 1 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 12
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 3
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 3
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value binary '00000371C07B3C306000000040000000000000000000000000003060
80000000000000814000001E05180800000C0C81D80030C180620002A803A4724070D204402002
00988C192064D80820B280959180201060980008C9871888808E90000080001000002000010000
200000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "disodium;4-[(2-arsonophenyl)hydrazono]-3-oxo-naphthalene-2
,7-disulfonate"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "disodium;4-[(2-arsonophenyl)hydrazinylidene]-3-oxonaphthal
ene-2,7-disulfonate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "disodium;4-[(2-arsonophenyl)hydrazinylidene]-3-oxonaphthal
ene-2,7-disulfonate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "disodium;4-[(2-arsonophenyl)hydrazinylidene]-3-oxonaphthal
ene-2,7-disulfonate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "disodium;4-[(2-arsonophenyl)hydrazinylidene]-3-oxidanylide
ne-naphthalene-2,7-disulfonate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "disodium;4-[(2-arsonophenyl)hydrazono]-3-keto-naphthalene-
2,7-disulfonate"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-1
0(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,18H,(H2
,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "ZQMPNLOZJUWHSA-UHFFFAOYSA-L"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "575.886645"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C16H11AsN2Na2O10S2"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "576.3"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C1=CC=C(C(=C1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(
=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+]"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C1=CC=C(C(=C1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(
=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+]"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 23, 10, 1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "575.886645"
      }
    },
    count {
      heavy-atom 33,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 0,
      bond-chiral-undef 1,
      isotope-atom 0,
      covalent-unit 3,
      tautomers -1
    }
  }
}