smiles/test/test-001.json

OpenSMILES compatible parser and serializer

{
  "label": "Test 001",
  "smiles": "C1N(CCCON2C(=O)C3C(C4C=CC3C4)C2=O)CCN(c2cccc(c2)C(F)(F)F)C1",
  "tokens": [
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Ringbond",
      "value": 1
    },
    {
      "type": "AliphaticOrganic",
      "value": "N"
    },
    {
      "type": "Branch",
      "value": "begin"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "AliphaticOrganic",
      "value": "O"
    },
    {
      "type": "AliphaticOrganic",
      "value": "N"
    },
    {
      "type": "Ringbond",
      "value": 2
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Branch",
      "value": "begin"
    },
    {
      "type": "Bond",
      "value": "="
    },
    {
      "type": "AliphaticOrganic",
      "value": "O"
    },
    {
      "type": "Branch",
      "value": "end"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Ringbond",
      "value": 3
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Branch",
      "value": "begin"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Ringbond",
      "value": 4
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Bond",
      "value": "="
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Ringbond",
      "value": 3
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Ringbond",
      "value": 4
    },
    {
      "type": "Branch",
      "value": "end"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Ringbond",
      "value": 2
    },
    {
      "type": "Bond",
      "value": "="
    },
    {
      "type": "AliphaticOrganic",
      "value": "O"
    },
    {
      "type": "Branch",
      "value": "end"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "AliphaticOrganic",
      "value": "N"
    },
    {
      "type": "Branch",
      "value": "begin"
    },
    {
      "type": "AromaticOrganic",
      "value": "c"
    },
    {
      "type": "Ringbond",
      "value": 2
    },
    {
      "type": "AromaticOrganic",
      "value": "c"
    },
    {
      "type": "AromaticOrganic",
      "value": "c"
    },
    {
      "type": "AromaticOrganic",
      "value": "c"
    },
    {
      "type": "AromaticOrganic",
      "value": "c"
    },
    {
      "type": "Branch",
      "value": "begin"
    },
    {
      "type": "AromaticOrganic",
      "value": "c"
    },
    {
      "type": "Ringbond",
      "value": 2
    },
    {
      "type": "Branch",
      "value": "end"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Branch",
      "value": "begin"
    },
    {
      "type": "AliphaticOrganic",
      "value": "F"
    },
    {
      "type": "Branch",
      "value": "end"
    },
    {
      "type": "Branch",
      "value": "begin"
    },
    {
      "type": "AliphaticOrganic",
      "value": "F"
    },
    {
      "type": "Branch",
      "value": "end"
    },
    {
      "type": "AliphaticOrganic",
      "value": "F"
    },
    {
      "type": "Branch",
      "value": "end"
    },
    {
      "type": "AliphaticOrganic",
      "value": "C"
    },
    {
      "type": "Ringbond",
      "value": 1
    }
  ]
}