# SMILES (structure) PubChem Compound

**Use case:** 

Extract PubChem Compound data filtered by SMILES (structure). Export structured results ready for analysis, lead generation, or research.

## Input

```json
{
  "maxItems": 10,
  "mode": "smiles",
  "identifiers": [
    "2244",
    "3672",
    "1983",
    "5793",
    "2519"
  ],
  "properties": [
    "MolecularFormula",
    "MolecularWeight",
    "CanonicalSMILES",
    "IsomericSMILES",
    "InChI",
    "InChIKey",
    "IUPACName",
    "XLogP",
    "ExactMass",
    "TPSA",
    "HBondDonorCount",
    "HBondAcceptorCount",
    "RotatableBondCount"
  ],
  "includeSynonyms": true
}
```

## Output

```json
{
  "cid": {
    "label": "CID",
    "format": "number"
  },
  "title": {
    "label": "Title",
    "format": "text"
  },
  "iupacName": {
    "label": "IUPAC Name",
    "format": "text"
  },
  "molecularFormula": {
    "label": "Formula",
    "format": "text"
  },
  "molecularWeight": {
    "label": "Mol. Weight",
    "format": "text"
  },
  "canonicalSMILES": {
    "label": "Canonical SMILES",
    "format": "text"
  },
  "isomericSMILES": {
    "label": "Isomeric SMILES",
    "format": "text"
  },
  "inchi": {
    "label": "InChI",
    "format": "text"
  },
  "inchiKey": {
    "label": "InChIKey",
    "format": "text"
  },
  "xLogP": {
    "label": "XLogP",
    "format": "number"
  },
  "exactMass": {
    "label": "Exact Mass",
    "format": "text"
  },
  "tpsa": {
    "label": "TPSA",
    "format": "number"
  },
  "hBondDonorCount": {
    "label": "H-Bond Donors",
    "format": "number"
  },
  "hBondAcceptorCount": {
    "label": "H-Bond Acceptors",
    "format": "number"
  },
  "rotatableBondCount": {
    "label": "Rotatable Bonds",
    "format": "number"
  },
  "synonyms": {
    "label": "Synonyms",
    "format": "object"
  },
  "properties": {
    "label": "All Properties",
    "format": "object"
  },
  "url": {
    "label": "PubChem URL",
    "format": "link"
  },
  "scrapedAt": {
    "label": "Collected",
    "format": "date"
  },
  "error": {
    "label": "Error",
    "format": "text"
  }
}
```

## About this Actor

This example demonstrates how to use [PubChem Compound Scraper](https://apify.com/parseforge/pubchem-compound-scraper) with a specific input configuration. Visit the [Actor detail page](https://apify.com/parseforge/pubchem-compound-scraper) to learn more, explore other use cases, and run it yourself.