PubChem Search Compounds By Substructure

Status

The most recent probe succeeded. Safe to call from the agent today.

Last probed

1d ago

Last success

1d ago

Last latency

100ms

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "max_results": {
      "default": 10,
      "description": "Maximum number of CIDs to return (default: 10, max: 10000).",
      "type": "integer"
    },
    "smiles": {
      "description": "SMILES of substructure (e.g., \"c1ccccc1\" corresponds to benzene ring).",
      "type": "string"
    }
  },
  "required": [
    "smiles"
  ],
  "type": "object"
}

Examples (1)

{
  "max_results": 1,
  "smiles": "CC(=O)Oc1ccccc1C(=O)O"
}

Identifiers

Catalog ID

tu_PubChem_search_compounds_by_substructure

Tool name

PubChem_search_compounds_by_substructure

Added

2026-04-30 22:47Z

Tags

tooluniverse