Chemical catalog imports

Upload your chemical inventory to filter routes toward starting materials you already have. Navigate to Chemical Catalogs in the sidebar to manage your catalogs.

Supported formats

Format	Extension	Notes
SMILES	.txt, .smi, .csv	One SMILES per line.
CAS numbers	.txt, .csv	Format XXXXX-XX-X. Auto-converted to SMILES via PubChem.
SDF / MOL	.sdf, .mol	Structures extracted automatically.

Catalog modes in retrosynthesis

When submitting a retrosynthesis job, choose between two modes:

• Filter routes — only show routes using starting materials from your catalog (strict).
• Highlight matches — show all routes, but molecules in your catalog get a green border and In catalog badge on every node, not just starting materials (informational).