Front Matter

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Sample Code

For all of the code examples and samples within this document, the following terms of use apply:

(C) 2017 OpenEye Scientific Software Inc. All rights reserved.

TERMS FOR USE OF SAMPLE CODE The software below ("Sample Code") is
provided to current licensees or subscribers of OpenEye products or
SaaS offerings (each a "Customer").
Customer is hereby permitted to use, copy, and modify the Sample Code,
subject to these terms. OpenEye claims no rights to Customer's
modifications. Modification of Sample Code is at Customer's sole and
exclusive risk. Sample Code may require Customer to have a then
current license or subscription to the applicable OpenEye offering.
liable for any damages or liability in connection with the Sample Code
or its use.


The OpenEye toolkits provide access to the functionality implemented by the InChI library. The OpenEye toolkits are considered a “work that uses the InChI library” and the InChI library is included with no modifications from the distribution available from the InChI Trust website. One can download the complete InChI source from the InChI Trust website or optionally, OpenEye will provide, for the cost of performing the distribution, a copy of the source code for the InChI library.

InChI Source Code Version 1.05

The InChI library is covered by the InChI license, version 1.0.

InChI License Version 1.0

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

or e-mail to


To cite any OpenEye toolkits please use the following:

OpenEye Toolkits 2018.Feb.1 OpenEye Scientific Software, Santa Fe, NM.

To cite an individual toolkit please use the following:

<toolkit name> 2018.Feb.1 OpenEye Scientific Software, Santa Fe, NM.

where <toolkit name> is:

  • OEChem Toolkit
  • OEDepict Toolkit
  • FastROCS Toolkit
  • Grapheme Toolkit
  • GraphSim Toolkit
  • Lexichem Toolkit
  • OEMedChem Toolkit
  • MolProp Tookit
  • Quacpac Toolkit
  • OEFF Toolkit
  • OEDocking Toolkit
  • Omega Toolkit
  • Shape Toolkit
  • Spicoli Toolkit
  • Szmap Toolkit
  • Szybki Toolkit
  • Zap Toolkit