/*
 * International Chemical Identifier (InChI)
 * Version 1
 * Software version 1.05
 * January 27, 2017
 *
 * 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.
 * Some portions of code were developed/changed by external contributors
 * (either contractor or volunteer) which are listed in the file 
 * 'External-contributors' included in this distribution.
 *
 * IUPAC/InChI-Trust Licence No.1.0 for the 
 * International Chemical Identifier (InChI) 
 * 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 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
 * 8 Cavendish Avenue
 * Cambridge CB1 7US
 * UK
 *
 * or e-mail to alan@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, as well as 
polymers (new in v. 1.05).



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

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

Polymers                        SUB-DIRECTORY
    pex.sdf                     Polymer examples corresponding to Table 2
                                of InChI v. 1.05 Release Notes (RelNotes.pdf)
