Leave any field blank to ignore it. To match one exact value, set the minimum and maximum to the same number
(for example, charge min = -1 and charge max = -1, or denticity min = 2 and denticity max = 2).
Purity thresholds should be between 0 and 1.
Coordinating atom element(s) filters by the union of donor elements ever seen for a ligand. For example, entering
N matches ligands that have any observed binding mode containing nitrogen; entering
N,O matches ligands whose observed donor set includes both nitrogen and oxygen somewhere across
their binding modes. In the downloaded CSV, binding_mode_symbols groups donor elements by binding
mode, and binding_mode_smiles_indices gives the matching atom indices (starting from 0) in the SMILES string.
Adds deposited refcodes, DOIs, journals, publication years, and deposited dates to the downloaded CSV only.
It does not change the preview table shown on this page.