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Table 1 Subset of SMILES grammar rules (derived from [10])

From: Classifying and scoring of molecules with the NGN: new datasets, significance tests, and generalization

smiles chain 1
chain atom 2
chain atom chain 3
chain atom Nbranch chain 4
atom C 5
atom O 6
Nbranch branch 7
branch ( chain_rparen 8
chain_rparen chain rparen 9
rparen ) 10