{
  "route": {
    "id": "sa_546647ad46f576f54ac321ac",
    "signature": "eff0ac7b735bb3b8ff2e80b1a05e0f911b1ea35f91df6716abdb19529064fa46",
    "contentHash": "5b169609c95968570495c3eb807d32c0fb322381e3a07d9bf4eb4bae53f4647f",
    "length": 4,
    "isConvergent": false
  },
  "target": {
    "id": "sa_03152ee9c62a9232faa53aae",
    "benchmarkSetId": "019173c85ab67300a20aafbd44174d6551ca67a41e948a511372ae5dca775a80",
    "targetId": "USPTO-109/190",
    "moleculeId": "sa_480f5248c51644c23213376a",
    "smiles": "COCC1=CS[C@@H]2C(NC(=O)Cc3cccs3)C(=O)N2C1C(=O)O",
    "routeLength": 4,
    "isConvergent": false,
    "metadata": "{\"source\":\"retro-pickle\"}",
    "molecule": {
      "id": "sa_480f5248c51644c23213376a",
      "inchikey": "CJRNQYJSSADAMN-ORHYLEIMSA-N",
      "smiles": "COCC1=CS[C@@H]2C(NC(=O)Cc3cccs3)C(=O)N2C1C(=O)O"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "19397",
    "routeId": "sa_546647ad46f576f54ac321ac",
    "moleculeId": "sa_480f5248c51644c23213376a",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_480f5248c51644c23213376a",
      "inchikey": "CJRNQYJSSADAMN-ORHYLEIMSA-N",
      "smiles": "COCC1=CS[C@@H]2C(NC(=O)Cc3cccs3)C(=O)N2C1C(=O)O"
    },
    "smiles": "COCC1=CS[C@@H]2C(NC(=O)Cc3cccs3)C(=O)N2C1C(=O)O",
    "reactionStepId": "sa_fbcb63a278659085c03f0762",
    "template": null,
    "metadata": null,
    "reactionStep": {
      "id": "sa_fbcb63a278659085c03f0762",
      "reactionHash": "d2f674d9a0c67112c433633a4c5bef49862e845f6a91b6736f23f1d1ab04571a"
    },
    "children": [
      {
        "id": "19398",
        "routeId": "sa_546647ad46f576f54ac321ac",
        "moleculeId": "sa_b4efe297f36a4a11b5a59023",
        "parentId": "19397",
        "isLeaf": true,
        "molecule": {
          "id": "sa_b4efe297f36a4a11b5a59023",
          "inchikey": "BVKZGUZCCUSVTD-UHFFFAOYSA-M",
          "smiles": "O=C([O-])O"
        },
        "smiles": "O=C([O-])O",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      },
      {
        "id": "19399",
        "routeId": "sa_546647ad46f576f54ac321ac",
        "moleculeId": "sa_f7373c12483a26ee0d87cfe7",
        "parentId": "19397",
        "isLeaf": false,
        "molecule": {
          "id": "sa_f7373c12483a26ee0d87cfe7",
          "inchikey": "XLWIDGHQXDDJIL-GCZXYKMCSA-N",
          "smiles": "O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12"
        },
        "smiles": "O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12",
        "reactionStepId": "sa_299d9bbbe1d66ca3e155d0aa",
        "template": null,
        "metadata": null,
        "reactionStep": {
          "id": "sa_299d9bbbe1d66ca3e155d0aa",
          "reactionHash": "6fef123771c94eff18d66a3b3db5efc6dcac403db248a1c35ef9275af1c45945"
        },
        "children": [
          {
            "id": "19400",
            "routeId": "sa_546647ad46f576f54ac321ac",
            "moleculeId": "sa_70f4de2e51ba34b93e025a04",
            "parentId": "19399",
            "isLeaf": true,
            "molecule": {
              "id": "sa_70f4de2e51ba34b93e025a04",
              "inchikey": "CPELXLSAUQHCOX-UHFFFAOYSA-N",
              "smiles": "Br"
            },
            "smiles": "Br",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "19401",
            "routeId": "sa_546647ad46f576f54ac321ac",
            "moleculeId": "sa_1052407dab2483eefa9ecb0e",
            "parentId": "19399",
            "isLeaf": false,
            "molecule": {
              "id": "sa_1052407dab2483eefa9ecb0e",
              "inchikey": "XBJDMAQPABVBAB-SSDMNJCBSA-N",
              "smiles": "CC(=O)OCC1=CS[C@@H]2C(NC(=O)Cc3cccs3)C(=O)N2C1C(=O)O"
            },
            "smiles": "CC(=O)OCC1=CS[C@@H]2C(NC(=O)Cc3cccs3)C(=O)N2C1C(=O)O",
            "reactionStepId": "sa_2f3115818d7c497b8c6c4bc9",
            "template": null,
            "metadata": null,
            "reactionStep": {
              "id": "sa_2f3115818d7c497b8c6c4bc9",
              "reactionHash": "3d03d3ad8ef7a7ad6da4591e577552b044111f7af11d10c9d6c5eab862435c8c"
            },
            "children": [
              {
                "id": "19402",
                "routeId": "sa_546647ad46f576f54ac321ac",
                "moleculeId": "sa_dda7ba809ffc65d6873f7b92",
                "parentId": "19401",
                "isLeaf": false,
                "molecule": {
                  "id": "sa_dda7ba809ffc65d6873f7b92",
                  "inchikey": "XIURVHNZVLADCM-WPZCJLIBSA-N",
                  "smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)[C@H]2SC1"
                },
                "smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)[C@H]2SC1",
                "reactionStepId": "sa_ec6de0cf2ac6143785c36808",
                "template": null,
                "metadata": null,
                "reactionStep": {
                  "id": "sa_ec6de0cf2ac6143785c36808",
                  "reactionHash": "35bcda093f893c750d435c0556cb9abcc9d1f43e3b977895274a9d4876693b31"
                },
                "children": [
                  {
                    "id": "19403",
                    "routeId": "sa_546647ad46f576f54ac321ac",
                    "moleculeId": "sa_6f4e4e01d43a7aaa540637a0",
                    "parentId": "19402",
                    "isLeaf": true,
                    "molecule": {
                      "id": "sa_6f4e4e01d43a7aaa540637a0",
                      "inchikey": "XIURVHNZVLADCM-IUODEOHRSA-M",
                      "smiles": "CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1"
                    },
                    "smiles": "CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1",
                    "reactionStepId": null,
                    "template": null,
                    "metadata": null,
                    "reactionStep": null,
                    "children": []
                  }
                ]
              }
            ]
          }
        ]
      }
    ]
  }
}