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Table 2 Derivation of the SMILES string CC(C)CCO (Isopentanol) from the root smiles “symbol”

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

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