Index Ligand Name Ligand ID Canonical SMILES #Protein-Ligand Complex(es) 1 piperacillin COVPDB994 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O 4