/*
 * International Chemical Identifier (InChI)
 * Version 1
 * Software version 1.04
 * September 9, 2011
 *
 * The InChI library and programs are free software developed under the
 * auspices of the International Union of Pure and Applied Chemistry (IUPAC).
 * Originally developed at NIST. Modifications and additions by IUPAC 
 * and the InChI Trust.
 *
 * IUPAC/InChI-Trust Licence No.1.0 for the 
 * International Chemical Identifier (InChI) Software version 1.04
 * Copyright (C) IUPAC and InChI Trust Limited
 * 
 * This library is free software; you can redistribute it and/or modify it 
 * under the terms of the IUPAC/InChI Trust InChI Licence No.1.0, 
 * or any later version.
 * 
 * Please note that this library is distributed WITHOUT ANY WARRANTIES 
 * whatsoever, whether expressed or implied.  See the IUPAC/InChI Trust 
 * Licence for the International Chemical Identifier (InChI) Software 
 * version 1.04, October 2011 ("IUPAC/InChI-Trust InChI Licence No.1.0") 
 * for more details.
 * 
 * You should have received a copy of the IUPAC/InChI Trust InChI 
 * Licence No. 1.0 with this library; if not, please write to:
 * 
 * The InChI Trust
 * c/o FIZ CHEMIE Berlin
 *
 * Franklinstrasse 11
 * 10587 Berlin
 * GERMANY
 *
 *  or email to: ulrich@inchi-trust.org.
 * 
 */



This directory contains a number of sample files for testing InChI/InChIKey
programs. In particular, included are the files containing (most of) chemical 
structures drawn in InChI User's Guide and Technical Manual.


=========
  FILES 
=========

readme.txt                       this file

UserGuide                        SUB-DIRECTORY
    (S)-Glutamic_Acid.mol        3 sample files -- illustrations from the
    benzoicacid.mol              InChI User's Guide
    Benzoic_Acid_Sodium_salt.mol

TechMan                          SUB-DIRECTORY
    SamplesTechMan.sdf           Examples of structures from the
                                 Technical Manual
    SamplesTechMan.zip           Individual structures from the
                                 Technical Manual

Misc                             SUB-DIRECTORY
    Samples.sdf                  Sample structure files merged into one
                                 SDfile
    Samples.zip                  Individual structure sample files



Note.
------
When using winchi-1 exe, you may enter word

NAME

into "Structure ID Header" of an "Open" dialog 
to view structure name in Samples and SamplesTechMan collections.





=========
  LINKS
=========

IUPAC                   http://www.iupac.org/inchi
InChI Trust             http://www.inchi-trust.org                                      
InChI discussion group  https://lists.sourceforge.net/lists/listinfo/inchi-discuss
