Benchling · Schema

MoleculeStructure

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Properties

Name Type Description
structureFormat string Format of the chemical structure. - smiles - molfile
value string Chemical structure in SMILES or molfile format.
View JSON Schema on GitHub

JSON Schema

MoleculeStructure.json Raw ↑ 
{
  "$schema": "https://json-schema.org/draft/2020-12/schema",
  "$id": "https://api-evangelist.github.io/benchling/json-schema/MoleculeStructure.json",
  "title": "MoleculeStructure",
  "additionalProperties": false,
  "properties": {
    "structureFormat": {
      "description": "Format of the chemical structure.\n- smiles\n- molfile\n",
      "enum": [
        "smiles",
        "molfile"
      ],
      "type": "string"
    },
    "value": {
      "description": "Chemical structure in SMILES or molfile format.",
      "example": "Nc1nc(=O)n([H:1])cc1C1CC1",
      "type": "string"
    }
  },
  "type": "object"
}