Fig. 3

First line: SMILES string with tagged cleaved bonds. Second line: SMILES branch nesting depth of each character from the first line (0: not in a branch; 1: inside a branch; 2: inside a branch inside a branch, etc). Third line: S characters mark the “seed fragment”. T (resp. U) characters mark the first (resp. second) tagged cleaved bond. B marks the only heavy atom of the first “branch fragment”. C characters mark the atoms and bonds of the second “branch fragment”. The second “branch fragment” starts at SMILES branch nesting depth 2. This fragment cannot continue once the nesting depth becomes lower. The corresponding fragmented molecule can be seen on Fig. 2 right