Table 4:

Derivatives of Gallic acid and its SMILES.
Compound name Smiles strings
Gallic acid Oc1c (O) cc (cc1O) C (=O) O
G1 O(CCC)C(=O)c1cc(O)c(O)c(O)c1
G2 O(C(=O)[C@@H]1CC(=C(O)C(=C1)O)O)CC
G3 O1CC[C@H](C)C[C@@]2(CC(=C(O)C(=C2)O)O)C1=O
G4 O(CC=C(C)C)C(=O)[C@@H]1C[C@@H](O)C(=C(O)C1)O