{
  "route": {
    "id": "cmisbzzxp011v19ddht9expvo",
    "signature": "7eb52a2e317b8ca053768f1d4e643ca2589330ba7d0daa14ade0e26197eb3769",
    "contentHash": "f0d7074cdf5cd3526a15ffc6d56e5f0a833aee3ae07ad1d7fded0f3b0d389994",
    "length": 3,
    "isConvergent": false
  },
  "target": {
    "id": "cmisc0cvf00oha8ddkgou2gkm",
    "benchmarkSetId": "cmisc0cnd0000a8dd4g4pdf0s",
    "targetId": "n5-09442",
    "moleculeId": "pfq1rxupwmc7tugx5tolq2ii",
    "routeLength": 3,
    "isConvergent": false,
    "metadata": "{}",
    "molecule": {
      "id": "pfq1rxupwmc7tugx5tolq2ii",
      "inchikey": "MPKNQTCQZJHXNW-UHFFFAOYSA-N",
      "smiles": "NCCc1ccc(C(N)=O)cc1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "cmisbzzxq011w19ddg4ufew3w",
    "routeId": "cmisbzzxp011v19ddht9expvo",
    "moleculeId": "pfq1rxupwmc7tugx5tolq2ii",
    "parentId": null,
    "isLeaf": false,
    "reactionHash": null,
    "template": null,
    "metadata": "{\"ID\":\"US20050020591A1;0167;222653\",\"rsmi\":\"[N-]=[N+]=[N:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([C:8]([NH2:9])=[O:10])[cH:11][cH:12]1>CCO.[H][H].[Pd]>[NH2:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([C:8]([NH2:9])=[O:10])[cH:11][cH:12]1\"}",
    "molecule": {
      "id": "pfq1rxupwmc7tugx5tolq2ii",
      "inchikey": "MPKNQTCQZJHXNW-UHFFFAOYSA-N",
      "smiles": "NCCc1ccc(C(N)=O)cc1"
    },
    "children": [
      {
        "id": "cmisbzzxq011x19ddp0i9e4nz",
        "routeId": "cmisbzzxp011v19ddht9expvo",
        "moleculeId": "hiuyqmhq8clqquoo34rczu77",
        "parentId": "cmisbzzxq011w19ddg4ufew3w",
        "isLeaf": false,
        "reactionHash": null,
        "template": null,
        "metadata": "{\"ID\":\"US20050020591A1;0166;222652\",\"rsmi\":\"O[OH:12].[N-:1]=[N+:2]=[N:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:13][cH:14]1>CO.O.O=C(O)O.[K+].[K+]>[N-:1]=[N+:2]=[N:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]([NH2:11])=[O:12])[cH:13][cH:14]1\"}",
        "molecule": {
          "id": "hiuyqmhq8clqquoo34rczu77",
          "inchikey": "YTRQIUQNJDTSEJ-UHFFFAOYSA-N",
          "smiles": "[N-]=[N+]=NCCc1ccc(C(N)=O)cc1"
        },
        "children": [
          {
            "id": "cmisbzzxq011y19dd3gf9bccs",
            "routeId": "cmisbzzxp011v19ddht9expvo",
            "moleculeId": "t9xc00awwqpg6a7e13ehjf50",
            "parentId": "cmisbzzxq011x19ddp0i9e4nz",
            "isLeaf": false,
            "reactionHash": null,
            "template": null,
            "metadata": "{\"ID\":\"US20050020591A1;0144;222642\",\"rsmi\":\"O[CH2:8][CH2:7][c:6]1[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:13][cH:12]1.[N-:9]=[N+:10]=[N-:11]>CCN(CC)CC.CCOC(C)=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][N:9]=[N+:10]=[N-:11])[cH:12][cH:13]1\"}",
            "molecule": {
              "id": "t9xc00awwqpg6a7e13ehjf50",
              "inchikey": "LWDKYDHPSRTUDR-UHFFFAOYSA-N",
              "smiles": "N#Cc1ccc(CCN=[N+]=[N-])cc1"
            },
            "children": [
              {
                "id": "cmisbzzxq012019dduv2sct0h",
                "routeId": "cmisbzzxp011v19ddht9expvo",
                "moleculeId": "yx81yt04zt48s0j30itkmjgr",
                "parentId": "cmisbzzxq011y19dd3gf9bccs",
                "isLeaf": true,
                "reactionHash": null,
                "template": null,
                "metadata": null,
                "molecule": {
                  "id": "yx81yt04zt48s0j30itkmjgr",
                  "inchikey": "RBSJBNYPTGMZIH-UHFFFAOYSA-N",
                  "smiles": "N#Cc1ccc(CCO)cc1"
                },
                "children": []
              },
              {
                "id": "cmisbzzxr012119dd511xjj42",
                "routeId": "cmisbzzxp011v19ddht9expvo",
                "moleculeId": "jzkrejctql8ug4a37xh36bie",
                "parentId": "cmisbzzxq011y19dd3gf9bccs",
                "isLeaf": true,
                "reactionHash": null,
                "template": null,
                "metadata": null,
                "molecule": {
                  "id": "jzkrejctql8ug4a37xh36bie",
                  "inchikey": "IVRMZWNICZWHMI-UHFFFAOYSA-N",
                  "smiles": "[N]N=[N-]"
                },
                "children": []
              }
            ]
          },
          {
            "id": "cmisbzzxq011z19ddt4xzneh8",
            "routeId": "cmisbzzxp011v19ddht9expvo",
            "moleculeId": "egrkkqcilpqq2c2pmm1aqlx7",
            "parentId": "cmisbzzxq011x19ddp0i9e4nz",
            "isLeaf": true,
            "reactionHash": null,
            "template": null,
            "metadata": null,
            "molecule": {
              "id": "egrkkqcilpqq2c2pmm1aqlx7",
              "inchikey": "MHAJPDPJQMAIIY-UHFFFAOYSA-N",
              "smiles": "OO"
            },
            "children": []
          }
        ]
      }
    ]
  }
}