PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data Bank

Table 2 Matching fragments of CVV from PDBe CCDUtils’ fragment library

Name	SMILES	Fragment library source
Amide	CC(N) = O	PDBe
Benzofuran	c1ccc2c(c1)CCO2	PDBe
Cyclopropane	C1CC1	PDBe
Phenyl	c1ccccc1	PDBe
Z419084966	NCC(O)Cc1ccccc1	ENAMINE

ISSN: 1758-2946