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  1. This SMILES specification is divided into two distinct parts: A syntactic specification specifies how the atoms, bonds, parentheses, digits and so forth are represented, and a semantic specification that describes how those symbols are interpreted as a sensible molecule. For example, the syntax specifies how ring closures are written, but the semantics require that they come in pairs.
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  5. More Information Theory Manual Tutorials: SMILES TM Simplified Molecular Input Line Entry System SMILES TM as a simple yet comprehensive chemical language in which molecules and reactions can be specified using ASCII characters representing atom and bond symbols. SMILES TM contains the same information as is found in an extended connection table but with several advantages.
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