SMILES !!!

What is SMILES???

• SMILES stands for Simplified Molecular Input Line Entry System. 
•  a line notation (a typographical method using printable characters) for entering and representing molecules and reactions.
• contains the same information as might be found in an extended connection table. The primary reason SMILES is useful than a connection table is that is a linguistic contruct, rather than a computer data structure. 
• SMILES is a true language, albeit with a simple vocabulary (atom and bond symbols) and only a few grammar rules.
• SMILES representations of structure can in turn be used as "words" in vocabulary of other language designed for storage of chemical information (information about chemicals) and chemical intelligence (information about chemistry).

These properties open many doors to the chemical information programmer. Examples of uses for SMILES are:

• Keys for database access
• Mechanism for researchers to exchange chemical information
• Entry system for chemical data
• Part of languages for artificial intelligence or expert systems in chemistry 

HISTORY OF SMILES.

The original SMILES specification was developed by Arthur Weininger and David Weininger in the late 1980s. It has since been modified and extended by others, most notably by Daylight Chemical Information Systems Inc. In 2007, an open standard called "OpenSMILES" was developed by the Blue Obelisk open-source chemistry community. Other 'linear' notations include the Wiswesser Line Notation (WLN), ROSDAL and SLN (Tripos Inc).

In July 2006, the IUPAC introduced the InChI as a standard for formula representation. SMILES is generally considered to have the advantage of being slightly more human-readable than InChI; it also has a wide base of software support with extensive theoretical (e.g., graph theory) backing.

SMILES	STRUCTURE
C=C\C=C\O
CCN(CC)CC.C=C\C=C\O
O/C=C/C=C.CC(C)C(=O)O.CCN(CC)CC
O/C=C/C=C.CC(C)C(=O)O.CC(C)C(CCCC)C(C=C)CCC.CCN(CC)CC
C1CCCCC1
O[n+}1ccccc1
CC1=CC(Br)CCC1.C1CN(CCC1)C2CCCCO2C1CCCC1
c1ccco1
Oc1ccncn1
c1ccccn1
O[n+]1ccccc1
Oc1ccccc1
Cn1cccc1
c1cccn1
Cn1cccc1.Oc1ccccc1.c1cncc1
Cn1cccc1C[C@H]=C\C=C\F.C\C=C\C=C\F.Oc1ccccc1.c1cncc1
Cn1ccccc1.C\C=C\C=C\F.C[C@H]=C\C=C\F.Oc1ccccc1.c1cncc1
O[n+]1ccccc1