diff --git a/datasources/goldbook_api.html b/datasources/goldbook_api.html
index 773ef006..3840990f 100644
--- a/datasources/goldbook_api.html
+++ b/datasources/goldbook_api.html
@@ -574,7 +574,7 @@ <h2>Step 5: Use the term code to retrieve its definition<a class="headerlink" hr
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&#39;term&#39;: {&#39;id&#39;: &#39;01093&#39;, &#39;doi&#39;: &#39;10.1351/goldbook.C01093&#39;, &#39;code&#39;: &#39;C01093&#39;, &#39;status&#39;: &#39;current&#39;, &#39;longtitle&#39;: &#39;IUPAC Gold Book - cis-trans isomers&#39;, &#39;title&#39;: &#39;&lt;i&gt;cis&lt;/i&gt;-&lt;i&gt;trans&lt;/i&gt; isomers&#39;, &#39;termversion&#39;: &#39;2.3.3&#39;, &#39;lastupdated&#39;: &#39;2014-02-24&#39;, &#39;definitions&#39;: [{&#39;id&#39;: &#39;1&#39;, &#39;text&#39;: &#39;Stereoisomeric olefins or cycloalkanes (or hetero-analogues) which differ in the positions of atoms (or groups) relative to a reference plane: in the cis-isomer the atoms are on the same side, in the trans-isomer they are on opposite sides. [image: molecular structures showing cis/trans isomerism]&#39;, &#39;chemicals&#39;: [{&#39;type&#39;: &#39;chemimage&#39;, &#39;title&#39;: &#39;molecular structures showing cis/trans isomerism&#39;, &#39;file&#39;: &#39;https://goldbook.iupac.org/img/inline/C01093.png&#39;}], &#39;links&#39;: [{&#39;title&#39;: &#39;Stereoisomeric&#39;, &#39;type&#39;: &#39;internal&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/S05983&#39;}, {&#39;title&#39;: &#39;olefins&#39;, &#39;type&#39;: &#39;goldify&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/O04281&#39;}, {&#39;title&#39;: &#39;cycloalkanes&#39;, &#39;type&#39;: &#39;goldify&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/C01497&#39;}, {&#39;title&#39;: &#39;isomer&#39;, &#39;type&#39;: &#39;goldify&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/I03289&#39;}, {&#39;title&#39;: &#39;trans&#39;, &#39;type&#39;: &#39;goldify&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/C01092&#39;}], &#39;sources&#39;: [&quot;PAC, 1996, 68, 2193. &#39;Basic terminology of stereochemistry (IUPAC Recommendations 1996)&#39; on page 2204 (https://doi.org/10.1351/pac199668122193)&quot;]}], &#39;referencedin&#39;: [{&#39;title&#39;: &#39;Wikipedia - Cis-trans izomerie (cs)&#39;, &#39;url&#39;: &#39;https://cs.wikipedia.org/wiki/Cis-trans_izomerie&#39;}, {&#39;title&#39;: &#39;Wikipedia - Cis-trans izoméria (sk)&#39;, &#39;url&#39;: &#39;https://sk.wikipedia.org/wiki/Cis-trans_izoméria&#39;}, {&#39;title&#39;: &#39;Wikipedia - Cis–trans isomerism (en)&#39;, &#39;url&#39;: &#39;https://en.wikipedia.org/wiki/Cis–trans_isomerism&#39;}, {&#39;title&#39;: &#39;Wikipedia - Isomeria (it)&#39;, &#39;url&#39;: &#39;https://it.wikipedia.org/wiki/Isomeria&#39;}, {&#39;title&#39;: &#39;Wikipedia - Isomeria cis-trans (it)&#39;, &#39;url&#39;: &#39;https://it.wikipedia.org/wiki/Isomeria_cis-trans&#39;}, {&#39;title&#39;: &#39;Wikipedia - Isomeria geométrica (pt)&#39;, &#39;url&#39;: &#39;https://pt.wikipedia.org/wiki/Isomeria_geométrica&#39;}, {&#39;title&#39;: &#39;Wikipedia - Isomería cis-trans (es)&#39;, &#39;url&#39;: &#39;https://es.wikipedia.org/wiki/Isomería_cis-trans&#39;}, {&#39;title&#39;: &#39;Wikipedia - Talk:Isomer (en)&#39;, &#39;url&#39;: &#39;https://en.wikipedia.org/wiki/Talk:Isomer&#39;}, {&#39;title&#39;: &#39;Wikipedia - Talk:Stereoisomerism (en)&#39;, &#39;url&#39;: &#39;https://en.wikipedia.org/wiki/Talk:Stereoisomerism&#39;}, {&#39;title&#39;: &#39;Wikipedia - Цис-транс изомеризъм (bg)&#39;, &#39;url&#39;: &#39;https://bg.wikipedia.org/wiki/Цис-транс_изомеризъм&#39;}, {&#39;title&#39;: &#39;Wikipedia - Цис–транс ізомерія (uk)&#39;, &#39;url&#39;: &#39;https://uk.wikipedia.org/wiki/Цис–транс_ізомерія&#39;}, {&#39;title&#39;: &#39;Wikipedia - ایزومری سیس–ترانس (fa)&#39;, &#39;url&#39;: &#39;https://fa.wikipedia.org/wiki/ایزومری_سیس–ترانس&#39;}, {&#39;title&#39;: &#39;Wikipedia - 顺反异构 (zh)&#39;, &#39;url&#39;: &#39;https://zh.wikipedia.org/wiki/顺反异构&#39;}], &#39;links&#39;: {&#39;html&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/html&#39;, &#39;json&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/json&#39;, &#39;xml&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/xml&#39;, &#39;plain&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/plain&#39;, &#39;pdf&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/pdf&#39;}, &#39;citation&#39;: &quot;Citation: &#39;&lt;i&gt;cis&lt;/i&gt;-&lt;i&gt;trans&lt;/i&gt; isomers&#39; in IUPAC Compendium of Chemical Terminology, 3rd ed. International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.C01093&quot;, &#39;license&#39;: &#39;The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International (https://creativecommons.org/licenses/by-sa/4.0/) for individual terms.&#39;, &#39;collection&#39;: &#39;If you are interested in licensing the Gold Book for commercial use, please contact the IUPAC Executive Director at executivedirector@iupac.org .&#39;, &#39;disclaimer&#39;: &#39;The International Union of Pure and Applied Chemistry (IUPAC) is continuously reviewing and, where needed, updating terms in the Compendium of Chemical Terminology (the IUPAC Gold Book). Users of these terms are encouraged to include the version of a term with its use and to check regularly for updates to term definitions that you are using.&#39;, &#39;accessed&#39;: &#39;2024-01-18T16:40:42+00:00&#39;}}
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&#39;term&#39;: {&#39;id&#39;: &#39;01093&#39;, &#39;doi&#39;: &#39;10.1351/goldbook.C01093&#39;, &#39;code&#39;: &#39;C01093&#39;, &#39;status&#39;: &#39;current&#39;, &#39;longtitle&#39;: &#39;IUPAC Gold Book - cis-trans isomers&#39;, &#39;title&#39;: &#39;&lt;i&gt;cis&lt;/i&gt;-&lt;i&gt;trans&lt;/i&gt; isomers&#39;, &#39;termversion&#39;: &#39;2.3.3&#39;, &#39;lastupdated&#39;: &#39;2014-02-24&#39;, &#39;definitions&#39;: [{&#39;id&#39;: &#39;1&#39;, &#39;text&#39;: &#39;Stereoisomeric olefins or cycloalkanes (or hetero-analogues) which differ in the positions of atoms (or groups) relative to a reference plane: in the cis-isomer the atoms are on the same side, in the trans-isomer they are on opposite sides. [image: molecular structures showing cis/trans isomerism]&#39;, &#39;chemicals&#39;: [{&#39;type&#39;: &#39;chemimage&#39;, &#39;title&#39;: &#39;molecular structures showing cis/trans isomerism&#39;, &#39;file&#39;: &#39;https://goldbook.iupac.org/img/inline/C01093.png&#39;}], &#39;links&#39;: [{&#39;title&#39;: &#39;Stereoisomeric&#39;, &#39;type&#39;: &#39;internal&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/S05983&#39;}, {&#39;title&#39;: &#39;olefins&#39;, &#39;type&#39;: &#39;goldify&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/O04281&#39;}, {&#39;title&#39;: &#39;cycloalkanes&#39;, &#39;type&#39;: &#39;goldify&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/C01497&#39;}, {&#39;title&#39;: &#39;isomer&#39;, &#39;type&#39;: &#39;goldify&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/I03289&#39;}, {&#39;title&#39;: &#39;trans&#39;, &#39;type&#39;: &#39;goldify&#39;, &#39;url&#39;: &#39;https://goldbook.iupac.org/terms/view/C01092&#39;}], &#39;sources&#39;: [&quot;PAC, 1996, 68, 2193. &#39;Basic terminology of stereochemistry (IUPAC Recommendations 1996)&#39; on page 2204 (https://doi.org/10.1351/pac199668122193)&quot;]}], &#39;referencedin&#39;: [{&#39;title&#39;: &#39;Wikipedia - Cis-trans izomerie (cs)&#39;, &#39;url&#39;: &#39;https://cs.wikipedia.org/wiki/Cis-trans_izomerie&#39;}, {&#39;title&#39;: &#39;Wikipedia - Cis-trans izoméria (sk)&#39;, &#39;url&#39;: &#39;https://sk.wikipedia.org/wiki/Cis-trans_izoméria&#39;}, {&#39;title&#39;: &#39;Wikipedia - Cis–trans isomerism (en)&#39;, &#39;url&#39;: &#39;https://en.wikipedia.org/wiki/Cis–trans_isomerism&#39;}, {&#39;title&#39;: &#39;Wikipedia - Isomeria (it)&#39;, &#39;url&#39;: &#39;https://it.wikipedia.org/wiki/Isomeria&#39;}, {&#39;title&#39;: &#39;Wikipedia - Isomeria cis-trans (it)&#39;, &#39;url&#39;: &#39;https://it.wikipedia.org/wiki/Isomeria_cis-trans&#39;}, {&#39;title&#39;: &#39;Wikipedia - Isomeria geométrica (pt)&#39;, &#39;url&#39;: &#39;https://pt.wikipedia.org/wiki/Isomeria_geométrica&#39;}, {&#39;title&#39;: &#39;Wikipedia - Isomería cis-trans (es)&#39;, &#39;url&#39;: &#39;https://es.wikipedia.org/wiki/Isomería_cis-trans&#39;}, {&#39;title&#39;: &#39;Wikipedia - Talk:Isomer (en)&#39;, &#39;url&#39;: &#39;https://en.wikipedia.org/wiki/Talk:Isomer&#39;}, {&#39;title&#39;: &#39;Wikipedia - Talk:Stereoisomerism (en)&#39;, &#39;url&#39;: &#39;https://en.wikipedia.org/wiki/Talk:Stereoisomerism&#39;}, {&#39;title&#39;: &#39;Wikipedia - Цис-транс изомеризъм (bg)&#39;, &#39;url&#39;: &#39;https://bg.wikipedia.org/wiki/Цис-транс_изомеризъм&#39;}, {&#39;title&#39;: &#39;Wikipedia - Цис–транс ізомерія (uk)&#39;, &#39;url&#39;: &#39;https://uk.wikipedia.org/wiki/Цис–транс_ізомерія&#39;}, {&#39;title&#39;: &#39;Wikipedia - ایزومری سیس–ترانس (fa)&#39;, &#39;url&#39;: &#39;https://fa.wikipedia.org/wiki/ایزومری_سیس–ترانس&#39;}, {&#39;title&#39;: &#39;Wikipedia - 顺反异构 (zh)&#39;, &#39;url&#39;: &#39;https://zh.wikipedia.org/wiki/顺反异构&#39;}], &#39;links&#39;: {&#39;html&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/html&#39;, &#39;json&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/json&#39;, &#39;xml&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/xml&#39;, &#39;plain&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/plain&#39;, &#39;pdf&#39;: &#39;https://goldbook.iupac.org/terms/view/C01093/pdf&#39;}, &#39;citation&#39;: &quot;Citation: &#39;&lt;i&gt;cis&lt;/i&gt;-&lt;i&gt;trans&lt;/i&gt; isomers&#39; in IUPAC Compendium of Chemical Terminology, 3rd ed. International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.C01093&quot;, &#39;license&#39;: &#39;The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International (https://creativecommons.org/licenses/by-sa/4.0/) for individual terms.&#39;, &#39;collection&#39;: &#39;If you are interested in licensing the Gold Book for commercial use, please contact the IUPAC Executive Director at executivedirector@iupac.org .&#39;, &#39;disclaimer&#39;: &#39;The International Union of Pure and Applied Chemistry (IUPAC) is continuously reviewing and, where needed, updating terms in the Compendium of Chemical Terminology (the IUPAC Gold Book). Users of these terms are encouraged to include the version of a term with its use and to check regularly for updates to term definitions that you are using.&#39;, &#39;accessed&#39;: &#39;2024-01-22T13:45:48+00:00&#39;}}
 </pre></div>
 </div>
 </div>
diff --git a/datasources/pubchem_pugrest1.html b/datasources/pubchem_pugrest1.html
index 14773efa..6aff5f16 100644
--- a/datasources/pubchem_pugrest1.html
+++ b/datasources/pubchem_pugrest1.html
@@ -523,9 +523,7 @@ <h3>2. Construct a PUG-REST API and retrieve data<a class="headerlink" href="#co
 </div>
 <div class="cell_output docutils container">
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>REQEST URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/property/MolecularFormula/txt
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>OUTPUT    : C9H8O4
+OUTPUT    : C9H8O4
 </pre></div>
 </div>
 </div>
@@ -586,19 +584,15 @@ <h3>3. Getting Computed Molecular Properties<a class="headerlink" href="#getting
 </div>
 <div class="cell_output docutils container">
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>MolecularWeight  : 180.16
+HBondDonorCount  : 1
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>HBondDonorCount  : 1
-HBondAcceptorCoun: 4
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>HeavyAtomCount   : 13
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>HBondAcceptorCoun: 4
+HeavyAtomCount   : 13
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>XLogP            : 1.200
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>TPSA             : 63.6
+TPSA             : 63.6
 </pre></div>
 </div>
 </div>
diff --git a/datasources/pubchem_pugrest2.html b/datasources/pubchem_pugrest2.html
index a5055209..de99a1b2 100644
--- a/datasources/pubchem_pugrest2.html
+++ b/datasources/pubchem_pugrest2.html
@@ -492,11 +492,13 @@ <h2>1. Accessing PubChem data using a chemical name<a class="headerlink" href="#
 </div>
 <div class="cell_output docutils container">
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>CID             : 2244
-MolecularFormula: C9H8O4
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>MolecularWeight : 180.16
-IsomericSMILES  : CC(=O)OC1=CC=CC=C1C(=O)O
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>MolecularFormula: C9H8O4
+MolecularWeight : 180.16
+</pre></div>
+</div>
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>IsomericSMILES  : CC(=O)OC1=CC=CC=C1C(=O)O
 </pre></div>
 </div>
 </div>
@@ -605,9 +607,7 @@ <h2>2. Getting chemical names for a given chemical structure<a class="headerlink
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>#-- CID 9581
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>PSEUDOEPHEDRINE HYDROCHLORIDE
+PSEUDOEPHEDRINE HYDROCHLORIDE
 Pseudoephedrine Hcl
 345-78-8
 Rhinalair
@@ -812,11 +812,10 @@ <h2>2. Getting chemical names for a given chemical structure<a class="headerlink
 Pseudoephedrine hydrochloride, European Pharmacopoeia (EP) Reference Standard
 Pseudoephedrine hydrochloride, United States Pharmacopeia (USP) Reference Standard
 Pseudoephedrine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material
-
-#-- CID 77098502
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Aleve PM
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>#-- CID 77098502
+Aleve PM
 Naproxen sodium/DPH combination
 Diphenhydramine HCl / naproxen sodium
 BAY98-7111
diff --git a/datasources/pubchem_pugrest3.html b/datasources/pubchem_pugrest3.html
index 77f06ca6..213cacc4 100644
--- a/datasources/pubchem_pugrest3.html
+++ b/datasources/pubchem_pugrest3.html
@@ -702,8 +702,8 @@ <h2>3. Performing 2-D and 3-D similarity search<a class="headerlink" href="#perf
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>25
-[&#39;155903259&#39;, &#39;167331698&#39;, &#39;166157194&#39;, &#39;163362001&#39;, &#39;162396459&#39;, &#39;169240696&#39;, &#39;168301133&#39;, &#39;168290284&#39;, &#39;167094316&#39;, &#39;167094315&#39;, &#39;167065082&#39;, &#39;164701818&#39;, &#39;164701813&#39;, &#39;164701812&#39;, &#39;164701760&#39;, &#39;164701758&#39;, &#39;164040179&#39;, &#39;163362031&#39;, &#39;163362005&#39;, &#39;163361849&#39;, &#39;169240702&#39;, &#39;163341926&#39;, &#39;163285815&#39;, &#39;166642632&#39;, &#39;168476190&#39;]
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>8
+[&#39;Status:&#39;, &#39;504&#39;, &#39;Code:&#39;, &#39;PUGREST.Timeout&#39;, &#39;Message:&#39;, &#39;Request&#39;, &#39;timed&#39;, &#39;out&#39;]
 </pre></div>
 </div>
 </div>
@@ -777,7 +777,135 @@ <h2>5. Performing substructure/superstructure search<a class="headerlink" href="
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>40602
+<div class="output traceback highlight-ipythontb notranslate"><div class="highlight"><pre><span></span><span class="gt">---------------------------------------------------------------------------</span>
+<span class="ne">KeyboardInterrupt</span><span class="g g-Whitespace">                         </span>Traceback (most recent call last)
+<span class="n">Cell</span> <span class="n">In</span><span class="p">[</span><span class="mi">15</span><span class="p">],</span> <span class="n">line</span> <span class="mi">2</span>
+<span class="g g-Whitespace">      </span><span class="mi">1</span> <span class="n">smiles</span> <span class="o">=</span> <span class="s2">&quot;C2CN=C(C1=C(C=CC=C1)N2)C3=CC=CC=C3&quot;</span>
+<span class="ne">----&gt; </span><span class="mi">2</span> <span class="n">cids</span> <span class="o">=</span> <span class="n">requests</span><span class="o">.</span><span class="n">post</span><span class="p">(</span><span class="s2">&quot;https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsubstructure/smiles/cids/txt&quot;</span><span class="p">,</span> <span class="n">data</span><span class="o">=</span><span class="p">{</span><span class="s1">&#39;smiles&#39;</span><span class="p">:</span><span class="n">smiles</span><span class="p">})</span><span class="o">.</span><span class="n">text</span><span class="o">.</span><span class="n">strip</span><span class="p">()</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
+<span class="g g-Whitespace">      </span><span class="mi">3</span> <span class="nb">print</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">cids</span><span class="p">))</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/requests/api.py:115,</span> in <span class="ni">post</span><span class="nt">(url, data, json, **kwargs)</span>
+<span class="g g-Whitespace">    </span><span class="mi">103</span> <span class="k">def</span> <span class="nf">post</span><span class="p">(</span><span class="n">url</span><span class="p">,</span> <span class="n">data</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">json</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
+<span class="g g-Whitespace">    </span><span class="mi">104</span><span class="w">     </span><span class="sa">r</span><span class="sd">&quot;&quot;&quot;Sends a POST request.</span>
+<span class="g g-Whitespace">    </span><span class="mi">105</span><span class="sd"> </span>
+<span class="g g-Whitespace">    </span><span class="mi">106</span><span class="sd">     :param url: URL for the new :class:`Request` object.</span>
+<span class="sd">   (...)</span>
+<span class="g g-Whitespace">    </span><span class="mi">112</span><span class="sd">     :rtype: requests.Response</span>
+<span class="g g-Whitespace">    </span><span class="mi">113</span><span class="sd">     &quot;&quot;&quot;</span>
+<span class="ne">--&gt; </span><span class="mi">115</span>     <span class="k">return</span> <span class="n">request</span><span class="p">(</span><span class="s2">&quot;post&quot;</span><span class="p">,</span> <span class="n">url</span><span class="p">,</span> <span class="n">data</span><span class="o">=</span><span class="n">data</span><span class="p">,</span> <span class="n">json</span><span class="o">=</span><span class="n">json</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/requests/api.py:59,</span> in <span class="ni">request</span><span class="nt">(method, url, **kwargs)</span>
+<span class="g g-Whitespace">     </span><span class="mi">55</span> <span class="c1"># By using the &#39;with&#39; statement we are sure the session is closed, thus we</span>
+<span class="g g-Whitespace">     </span><span class="mi">56</span> <span class="c1"># avoid leaving sockets open which can trigger a ResourceWarning in some</span>
+<span class="g g-Whitespace">     </span><span class="mi">57</span> <span class="c1"># cases, and look like a memory leak in others.</span>
+<span class="g g-Whitespace">     </span><span class="mi">58</span> <span class="k">with</span> <span class="n">sessions</span><span class="o">.</span><span class="n">Session</span><span class="p">()</span> <span class="k">as</span> <span class="n">session</span><span class="p">:</span>
+<span class="ne">---&gt; </span><span class="mi">59</span>     <span class="k">return</span> <span class="n">session</span><span class="o">.</span><span class="n">request</span><span class="p">(</span><span class="n">method</span><span class="o">=</span><span class="n">method</span><span class="p">,</span> <span class="n">url</span><span class="o">=</span><span class="n">url</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/requests/sessions.py:589,</span> in <span class="ni">Session.request</span><span class="nt">(self, method, url, params, data, headers, cookies, files, auth, timeout, allow_redirects, proxies, hooks, stream, verify, cert, json)</span>
+<span class="g g-Whitespace">    </span><span class="mi">584</span> <span class="n">send_kwargs</span> <span class="o">=</span> <span class="p">{</span>
+<span class="g g-Whitespace">    </span><span class="mi">585</span>     <span class="s2">&quot;timeout&quot;</span><span class="p">:</span> <span class="n">timeout</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">586</span>     <span class="s2">&quot;allow_redirects&quot;</span><span class="p">:</span> <span class="n">allow_redirects</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">587</span> <span class="p">}</span>
+<span class="g g-Whitespace">    </span><span class="mi">588</span> <span class="n">send_kwargs</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">settings</span><span class="p">)</span>
+<span class="ne">--&gt; </span><span class="mi">589</span> <span class="n">resp</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">send</span><span class="p">(</span><span class="n">prep</span><span class="p">,</span> <span class="o">**</span><span class="n">send_kwargs</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">591</span> <span class="k">return</span> <span class="n">resp</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/requests/sessions.py:703,</span> in <span class="ni">Session.send</span><span class="nt">(self, request, **kwargs)</span>
+<span class="g g-Whitespace">    </span><span class="mi">700</span> <span class="n">start</span> <span class="o">=</span> <span class="n">preferred_clock</span><span class="p">()</span>
+<span class="g g-Whitespace">    </span><span class="mi">702</span> <span class="c1"># Send the request</span>
+<span class="ne">--&gt; </span><span class="mi">703</span> <span class="n">r</span> <span class="o">=</span> <span class="n">adapter</span><span class="o">.</span><span class="n">send</span><span class="p">(</span><span class="n">request</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">705</span> <span class="c1"># Total elapsed time of the request (approximately)</span>
+<span class="g g-Whitespace">    </span><span class="mi">706</span> <span class="n">elapsed</span> <span class="o">=</span> <span class="n">preferred_clock</span><span class="p">()</span> <span class="o">-</span> <span class="n">start</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/requests/adapters.py:486,</span> in <span class="ni">HTTPAdapter.send</span><span class="nt">(self, request, stream, timeout, verify, cert, proxies)</span>
+<span class="g g-Whitespace">    </span><span class="mi">483</span>     <span class="n">timeout</span> <span class="o">=</span> <span class="n">TimeoutSauce</span><span class="p">(</span><span class="n">connect</span><span class="o">=</span><span class="n">timeout</span><span class="p">,</span> <span class="n">read</span><span class="o">=</span><span class="n">timeout</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">485</span> <span class="k">try</span><span class="p">:</span>
+<span class="ne">--&gt; </span><span class="mi">486</span>     <span class="n">resp</span> <span class="o">=</span> <span class="n">conn</span><span class="o">.</span><span class="n">urlopen</span><span class="p">(</span>
+<span class="g g-Whitespace">    </span><span class="mi">487</span>         <span class="n">method</span><span class="o">=</span><span class="n">request</span><span class="o">.</span><span class="n">method</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">488</span>         <span class="n">url</span><span class="o">=</span><span class="n">url</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">489</span>         <span class="n">body</span><span class="o">=</span><span class="n">request</span><span class="o">.</span><span class="n">body</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">490</span>         <span class="n">headers</span><span class="o">=</span><span class="n">request</span><span class="o">.</span><span class="n">headers</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">491</span>         <span class="n">redirect</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">492</span>         <span class="n">assert_same_host</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">493</span>         <span class="n">preload_content</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">494</span>         <span class="n">decode_content</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">495</span>         <span class="n">retries</span><span class="o">=</span><span class="bp">self</span><span class="o">.</span><span class="n">max_retries</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">496</span>         <span class="n">timeout</span><span class="o">=</span><span class="n">timeout</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">497</span>         <span class="n">chunked</span><span class="o">=</span><span class="n">chunked</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">498</span>     <span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">500</span> <span class="k">except</span> <span class="p">(</span><span class="n">ProtocolError</span><span class="p">,</span> <span class="ne">OSError</span><span class="p">)</span> <span class="k">as</span> <span class="n">err</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">501</span>     <span class="k">raise</span> <span class="ne">ConnectionError</span><span class="p">(</span><span class="n">err</span><span class="p">,</span> <span class="n">request</span><span class="o">=</span><span class="n">request</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/urllib3/connectionpool.py:790,</span> in <span class="ni">HTTPConnectionPool.urlopen</span><span class="nt">(self, method, url, body, headers, retries, redirect, assert_same_host, timeout, pool_timeout, release_conn, chunked, body_pos, preload_content, decode_content, **response_kw)</span>
+<span class="g g-Whitespace">    </span><span class="mi">787</span> <span class="n">response_conn</span> <span class="o">=</span> <span class="n">conn</span> <span class="k">if</span> <span class="ow">not</span> <span class="n">release_conn</span> <span class="k">else</span> <span class="kc">None</span>
+<span class="g g-Whitespace">    </span><span class="mi">789</span> <span class="c1"># Make the request on the HTTPConnection object</span>
+<span class="ne">--&gt; </span><span class="mi">790</span> <span class="n">response</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_make_request</span><span class="p">(</span>
+<span class="g g-Whitespace">    </span><span class="mi">791</span>     <span class="n">conn</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">792</span>     <span class="n">method</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">793</span>     <span class="n">url</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">794</span>     <span class="n">timeout</span><span class="o">=</span><span class="n">timeout_obj</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">795</span>     <span class="n">body</span><span class="o">=</span><span class="n">body</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">796</span>     <span class="n">headers</span><span class="o">=</span><span class="n">headers</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">797</span>     <span class="n">chunked</span><span class="o">=</span><span class="n">chunked</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">798</span>     <span class="n">retries</span><span class="o">=</span><span class="n">retries</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">799</span>     <span class="n">response_conn</span><span class="o">=</span><span class="n">response_conn</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">800</span>     <span class="n">preload_content</span><span class="o">=</span><span class="n">preload_content</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">801</span>     <span class="n">decode_content</span><span class="o">=</span><span class="n">decode_content</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">802</span>     <span class="o">**</span><span class="n">response_kw</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">803</span> <span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">805</span> <span class="c1"># Everything went great!</span>
+<span class="g g-Whitespace">    </span><span class="mi">806</span> <span class="n">clean_exit</span> <span class="o">=</span> <span class="kc">True</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/urllib3/connectionpool.py:467,</span> in <span class="ni">HTTPConnectionPool._make_request</span><span class="nt">(self, conn, method, url, body, headers, retries, timeout, chunked, response_conn, preload_content, decode_content, enforce_content_length)</span>
+<span class="g g-Whitespace">    </span><span class="mi">464</span> <span class="k">try</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">465</span>     <span class="c1"># Trigger any extra validation we need to do.</span>
+<span class="g g-Whitespace">    </span><span class="mi">466</span>     <span class="k">try</span><span class="p">:</span>
+<span class="ne">--&gt; </span><span class="mi">467</span>         <span class="bp">self</span><span class="o">.</span><span class="n">_validate_conn</span><span class="p">(</span><span class="n">conn</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">468</span>     <span class="k">except</span> <span class="p">(</span><span class="n">SocketTimeout</span><span class="p">,</span> <span class="n">BaseSSLError</span><span class="p">)</span> <span class="k">as</span> <span class="n">e</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">469</span>         <span class="bp">self</span><span class="o">.</span><span class="n">_raise_timeout</span><span class="p">(</span><span class="n">err</span><span class="o">=</span><span class="n">e</span><span class="p">,</span> <span class="n">url</span><span class="o">=</span><span class="n">url</span><span class="p">,</span> <span class="n">timeout_value</span><span class="o">=</span><span class="n">conn</span><span class="o">.</span><span class="n">timeout</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/urllib3/connectionpool.py:1096,</span> in <span class="ni">HTTPSConnectionPool._validate_conn</span><span class="nt">(self, conn)</span>
+<span class="g g-Whitespace">   </span><span class="mi">1094</span> <span class="c1"># Force connect early to allow us to validate the connection.</span>
+<span class="g g-Whitespace">   </span><span class="mi">1095</span> <span class="k">if</span> <span class="n">conn</span><span class="o">.</span><span class="n">is_closed</span><span class="p">:</span>
+<span class="ne">-&gt; </span><span class="mi">1096</span>     <span class="n">conn</span><span class="o">.</span><span class="n">connect</span><span class="p">()</span>
+<span class="g g-Whitespace">   </span><span class="mi">1098</span> <span class="k">if</span> <span class="ow">not</span> <span class="n">conn</span><span class="o">.</span><span class="n">is_verified</span><span class="p">:</span>
+<span class="g g-Whitespace">   </span><span class="mi">1099</span>     <span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span>
+<span class="g g-Whitespace">   </span><span class="mi">1100</span>         <span class="p">(</span>
+<span class="g g-Whitespace">   </span><span class="mi">1101</span>             <span class="sa">f</span><span class="s2">&quot;Unverified HTTPS request is being made to host &#39;</span><span class="si">{</span><span class="n">conn</span><span class="o">.</span><span class="n">host</span><span class="si">}</span><span class="s2">&#39;. &quot;</span>
+   <span class="p">(</span><span class="o">...</span><span class="p">)</span>
+<span class="g g-Whitespace">   </span><span class="mi">1106</span>         <span class="n">InsecureRequestWarning</span><span class="p">,</span>
+<span class="g g-Whitespace">   </span><span class="mi">1107</span>     <span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/urllib3/connection.py:611,</span> in <span class="ni">HTTPSConnection.connect</span><span class="nt">(self)</span>
+<span class="g g-Whitespace">    </span><span class="mi">609</span> <span class="k">def</span> <span class="nf">connect</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-&gt;</span> <span class="kc">None</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">610</span>     <span class="n">sock</span><span class="p">:</span> <span class="n">socket</span><span class="o">.</span><span class="n">socket</span> <span class="o">|</span> <span class="n">ssl</span><span class="o">.</span><span class="n">SSLSocket</span>
+<span class="ne">--&gt; </span><span class="mi">611</span>     <span class="bp">self</span><span class="o">.</span><span class="n">sock</span> <span class="o">=</span> <span class="n">sock</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_new_conn</span><span class="p">()</span>
+<span class="g g-Whitespace">    </span><span class="mi">612</span>     <span class="n">server_hostname</span><span class="p">:</span> <span class="nb">str</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">host</span>
+<span class="g g-Whitespace">    </span><span class="mi">613</span>     <span class="n">tls_in_tls</span> <span class="o">=</span> <span class="kc">False</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/urllib3/connection.py:203,</span> in <span class="ni">HTTPConnection._new_conn</span><span class="nt">(self)</span>
+<span class="g g-Whitespace">    </span><span class="mi">198</span><span class="w"> </span><span class="sd">&quot;&quot;&quot;Establish a socket connection and set nodelay settings on it.</span>
+<span class="g g-Whitespace">    </span><span class="mi">199</span><span class="sd"> </span>
+<span class="g g-Whitespace">    </span><span class="mi">200</span><span class="sd"> :return: New socket connection.</span>
+<span class="g g-Whitespace">    </span><span class="mi">201</span><span class="sd"> &quot;&quot;&quot;</span>
+<span class="g g-Whitespace">    </span><span class="mi">202</span> <span class="k">try</span><span class="p">:</span>
+<span class="ne">--&gt; </span><span class="mi">203</span>     <span class="n">sock</span> <span class="o">=</span> <span class="n">connection</span><span class="o">.</span><span class="n">create_connection</span><span class="p">(</span>
+<span class="g g-Whitespace">    </span><span class="mi">204</span>         <span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">_dns_host</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">port</span><span class="p">),</span>
+<span class="g g-Whitespace">    </span><span class="mi">205</span>         <span class="bp">self</span><span class="o">.</span><span class="n">timeout</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">206</span>         <span class="n">source_address</span><span class="o">=</span><span class="bp">self</span><span class="o">.</span><span class="n">source_address</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">207</span>         <span class="n">socket_options</span><span class="o">=</span><span class="bp">self</span><span class="o">.</span><span class="n">socket_options</span><span class="p">,</span>
+<span class="g g-Whitespace">    </span><span class="mi">208</span>     <span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">209</span> <span class="k">except</span> <span class="n">socket</span><span class="o">.</span><span class="n">gaierror</span> <span class="k">as</span> <span class="n">e</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">210</span>     <span class="k">raise</span> <span class="n">NameResolutionError</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">host</span><span class="p">,</span> <span class="bp">self</span><span class="p">,</span> <span class="n">e</span><span class="p">)</span> <span class="kn">from</span> <span class="nn">e</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/urllib3/util/connection.py:73,</span> in <span class="ni">create_connection</span><span class="nt">(address, timeout, source_address, socket_options)</span>
+<span class="g g-Whitespace">     </span><span class="mi">71</span> <span class="k">if</span> <span class="n">source_address</span><span class="p">:</span>
+<span class="g g-Whitespace">     </span><span class="mi">72</span>     <span class="n">sock</span><span class="o">.</span><span class="n">bind</span><span class="p">(</span><span class="n">source_address</span><span class="p">)</span>
+<span class="ne">---&gt; </span><span class="mi">73</span> <span class="n">sock</span><span class="o">.</span><span class="n">connect</span><span class="p">(</span><span class="n">sa</span><span class="p">)</span>
+<span class="g g-Whitespace">     </span><span class="mi">74</span> <span class="c1"># Break explicitly a reference cycle</span>
+<span class="g g-Whitespace">     </span><span class="mi">75</span> <span class="n">err</span> <span class="o">=</span> <span class="kc">None</span>
+
+<span class="ne">KeyboardInterrupt</span>: 
 </pre></div>
 </div>
 </div>
@@ -791,7 +919,7 @@ <h2>5. Performing substructure/superstructure search<a class="headerlink" href="
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>6817
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>6746
 </pre></div>
 </div>
 </div>
@@ -808,7 +936,7 @@ <h2>7. Molecular Formula search<a class="headerlink" href="#molecular-formula-se
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>1563
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>1507
 </pre></div>
 </div>
 </div>
@@ -839,15 +967,15 @@ <h2>7. Molecular Formula search<a class="headerlink" href="#molecular-formula-se
 <div class="cell_output docutils container">
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&#39;CID&#39;, &#39;MolecularFormula&#39;, &#39;IsomericSMILES&#39;]
 2723872 	 C6H12O6 	 C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O
-64689 	 C6H12O6 	 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
-892 	 C6H12O6 	 C1(C(C(C(C(C1O)O)O)O)O)O
+107526 	 C6H12O6 	 C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
+24749 	 C6H12O6 	 C(C(C(C(C(C=O)O)O)O)O)O
 24310 	 C6H12O6 	 C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
-5793 	 C6H12O6 	 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
+892 	 C6H12O6 	 C1(C(C(C(C(C1O)O)O)O)O)O
+64689 	 C6H12O6 	 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
+5984 	 C6H12O6 	 C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
 439709 	 C6H12O6 	 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
 439312 	 C6H12O6 	 C1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O
 79025 	 C6H12O6 	 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
-6036 	 C6H12O6 	 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O
-3037556 	 C6H12O6 	 C([C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O)O
 </pre></div>
 </div>
 </div>
@@ -860,7 +988,7 @@ <h2>7. Molecular Formula search<a class="headerlink" href="#molecular-formula-se
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>3287
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>3235
 </pre></div>
 </div>
 </div>
@@ -887,21 +1015,6 @@ <h2>7. Molecular Formula search<a class="headerlink" href="#molecular-formula-se
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&#39;CID&#39;, &#39;MolecularFormula&#39;, &#39;IsomericSMILES&#39;]
-2723872 	 C6H12O6 	 C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O
-64689 	 C6H12O6 	 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
-892 	 C6H12O6 	 C1(C(C(C(C(C1O)O)O)O)O)O
-24310 	 C6H12O6 	 C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
-5793 	 C6H12O6 	 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
-439709 	 C6H12O6 	 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
-439312 	 C6H12O6 	 C1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O
-79025 	 C6H12O6 	 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
-6036 	 C6H12O6 	 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O
-3037556 	 C6H12O6 	 C([C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O)O
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 </section>
diff --git a/manipulations/computing_inchis.html b/manipulations/computing_inchis.html
index bfacc5e1..7f2c2dc3 100644
--- a/manipulations/computing_inchis.html
+++ b/manipulations/computing_inchis.html
@@ -526,7 +526,7 @@ <h3>1.2 Create a Molecular Object from SMILES<a class="headerlink" href="#create
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&lt;rdkit.Chem.rdchem.Mol object at 0x7fd7affd0c10&gt;
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&lt;rdkit.Chem.rdchem.Mol object at 0x7fbb92fc4c10&gt;
 </pre></div>
 </div>
 </div>
@@ -607,7 +607,7 @@ <h3>1.4 Calculate InChIs for a List of Molecules<a class="headerlink" href="#cal
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;rdkit.Chem.rdchem.Mol object at 0x7fd7affd1070&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fd7affd10e0&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fd7affd15b0&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fd7affd1620&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fd7affd1690&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fd7affd1700&gt;]
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;rdkit.Chem.rdchem.Mol object at 0x7fbb92fc4eb0&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fbb92fc50e0&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fbb92fc55b0&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fbb92fc5620&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fbb92fc5690&gt;, &lt;rdkit.Chem.rdchem.Mol object at 0x7fbb92fc5700&gt;]
 </pre></div>
 </div>
 </div>
@@ -766,7 +766,7 @@ <h3>2.4 Calculate InChIs for a List of Molecules<a class="headerlink" href="#id3
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;openbabel.pybel.Molecule object at 0x7fd7aeffc710&gt;, &lt;openbabel.pybel.Molecule object at 0x7fd7aeffc910&gt;, &lt;openbabel.pybel.Molecule object at 0x7fd7ae764550&gt;, &lt;openbabel.pybel.Molecule object at 0x7fd7ae765dd0&gt;, &lt;openbabel.pybel.Molecule object at 0x7fd7ae766ed0&gt;, &lt;openbabel.pybel.Molecule object at 0x7fd7ae766e90&gt;]
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;openbabel.pybel.Molecule object at 0x7fbb9135cf10&gt;, &lt;openbabel.pybel.Molecule object at 0x7fbb9135e990&gt;, &lt;openbabel.pybel.Molecule object at 0x7fbb9135eb10&gt;, &lt;openbabel.pybel.Molecule object at 0x7fbb9135e810&gt;, &lt;openbabel.pybel.Molecule object at 0x7fbb9135e590&gt;, &lt;openbabel.pybel.Molecule object at 0x7fbb9135e450&gt;]
 </pre></div>
 </div>
 </div>
diff --git a/manipulations/dataset_search.html b/manipulations/dataset_search.html
index 8dbcac09..6691553b 100644
--- a/manipulations/dataset_search.html
+++ b/manipulations/dataset_search.html
@@ -1015,7 +1015,7 @@ <h3>2.1 - Authentication to the FAIRSharing API<a class="headerlink" href="#auth
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&#39;success&#39;: True, &#39;jwt&#39;: &#39;eyJhbGciOiJIUzI1NiJ9.eyJqdGkiOiI0YjVkNzQyMi1hOTg3LTRlZWYtYjQyYi1hN2U3Yjc2MTM0ZTEiLCJzdWIiOiI4NTA5Iiwic2NwIjoidXNlciIsImF1ZCI6bnVsbCwiaWF0IjoxNzA1NTk2MDk5LCJleHAiOjE3MDU2ODI0OTl9.6yAMqLN95YnwleUIUq_xUDg2yMYximXN_k-c-ABN4v4&#39;, &#39;username&#39;: &#39;ChemCookbook&#39;, &#39;id&#39;: 8509, &#39;role&#39;: &#39;user&#39;, &#39;profile_type&#39;: &#39;none&#39;, &#39;watched_records&#39;: [], &#39;is_curator&#39;: False, &#39;is_super_curator&#39;: False, &#39;third_party&#39;: False, &#39;expiry&#39;: 1705682499, &#39;message&#39;: &#39;Authentication successful&#39;}
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&#39;success&#39;: True, &#39;jwt&#39;: &#39;eyJhbGciOiJIUzI1NiJ9.eyJqdGkiOiI0YjVkNzQyMi1hOTg3LTRlZWYtYjQyYi1hN2U3Yjc2MTM0ZTEiLCJzdWIiOiI4NTA5Iiwic2NwIjoidXNlciIsImF1ZCI6bnVsbCwiaWF0IjoxNzA1OTMxMzI3LCJleHAiOjE3MDYwMTc3Mjd9.HxBqNA_9ssKQlNOvPptCKsacRaXIVh0r8uwDoGTMzCs&#39;, &#39;username&#39;: &#39;ChemCookbook&#39;, &#39;id&#39;: 8509, &#39;role&#39;: &#39;user&#39;, &#39;profile_type&#39;: &#39;none&#39;, &#39;watched_records&#39;: [], &#39;is_curator&#39;: False, &#39;is_super_curator&#39;: False, &#39;third_party&#39;: False, &#39;expiry&#39;: 1706017727, &#39;message&#39;: &#39;Authentication successful&#39;}
 </pre></div>
 </div>
 </div>
@@ -1187,22 +1187,22 @@ <h3>2.3 - Output the data in a presentable format<a class="headerlink" href="#ou
 FAIRsharing record for: Royal Society of Chemistry - Data policy: https://fairsharing.org/10.25504/FAIRsharing.egbgwm
 FAIRsharing record for: ioChem-BD: https://fairsharing.org/10.25504/FAIRsharing.lwW6a1
 FAIRsharing record for: MINAS - A Database of Metal Ions in Nucleic AcidS: https://fairsharing.org/10.25504/FAIRsharing.wqtfkv
-FAIRsharing record for: Beilstein Journal of Organic Chemistry: https://fairsharing.org/10.25504/FAIRsharing.7GA79k
 FAIRsharing record for: ChemSpider: https://fairsharing.org/10.25504/FAIRsharing.96f3gm
+FAIRsharing record for: Beilstein Journal of Organic Chemistry: https://fairsharing.org/10.25504/FAIRsharing.7GA79k
 FAIRsharing record for: CAS Registry Number: https://fairsharing.org/10.25504/FAIRsharing.r7Kwy7
 FAIRsharing record for: Swedish Ocean Archive: https://fairsharing.org/10.25504/FAIRsharing.npf403
 FAIRsharing record for: Chemical Markup Language: https://fairsharing.org/10.25504/FAIRsharing.3mdt9n
 FAIRsharing record for: CHARMM Card File Format: https://fairsharing.org/10.25504/FAIRsharing.7hp91k
-FAIRsharing record for: NFDI4Chem : https://fairsharing.org/fairsharing_records/5027
 FAIRsharing record for: Chemical Abstracts Service Common Chemistry: https://fairsharing.org/10.25504/FAIRsharing.e5c86e
 FAIRsharing record for: IUPAC International Chemical Identifier: https://fairsharing.org/10.25504/FAIRsharing.ddk9t9
+FAIRsharing record for: NFDI4Chem : https://fairsharing.org/fairsharing_records/5027
 FAIRsharing record for: Data Standard for Sharing Quantitative Results in Mass Spectrometry Metabolomics: https://fairsharing.org/10.25504/FAIRsharing.207caf
 FAIRsharing record for: Dot Bracket Notation (DBN) - Vienna Format: https://fairsharing.org/10.25504/FAIRsharing.4xrzw1
 FAIRsharing record for: Name Reaction Ontology: https://fairsharing.org/10.25504/FAIRsharing.w4tncg
 FAIRsharing record for: Molecular Process Ontology: https://fairsharing.org/10.25504/FAIRsharing.mct09a
 FAIRsharing record for: Chemical Methods Ontology: https://fairsharing.org/10.25504/FAIRsharing.9j4wh2
-FAIRsharing record for: MolMeDB: Molecules on Membranes Database: https://fairsharing.org/10.25504/FAIRsharing.CWzk3C
 FAIRsharing record for: Geological and Environmental Reference Materials: https://fairsharing.org/10.25504/FAIRsharing.219aec
+FAIRsharing record for: MolMeDB: Molecules on Membranes Database: https://fairsharing.org/10.25504/FAIRsharing.CWzk3C
 FAIRsharing record for: IUPAC Periodic Table of the Elements: https://fairsharing.org/10.25504/FAIRsharing.92473c
 FAIRsharing record for: Network for the Detection of Atmospheric Composition Change: https://fairsharing.org/10.25504/FAIRsharing.298d50
 </pre></div>
diff --git a/reports/datasources/pubchem_pugrest3.err.log b/reports/datasources/pubchem_pugrest3.err.log
new file mode 100644
index 00000000..f098ad80
--- /dev/null
+++ b/reports/datasources/pubchem_pugrest3.err.log
@@ -0,0 +1,47 @@
+Traceback (most recent call last):
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/nbclient/client.py", line 780, in _async_poll_for_reply
+    msg = await ensure_async(self.kc.shell_channel.get_msg(timeout=new_timeout))
+          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/nbclient/util.py", line 97, in ensure_async
+    result = await obj
+             ^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/jupyter_client/channels.py", line 315, in get_msg
+    raise Empty
+_queue.Empty
+
+During handling of the above exception, another exception occurred:
+
+Traceback (most recent call last):
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/jupyter_cache/executors/utils.py", line 58, in single_nb_execution
+    executenb(
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/nbclient/client.py", line 1269, in execute
+    return NotebookClient(nb=nb, resources=resources, km=km, **kwargs).execute()
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/nbclient/util.py", line 85, in wrapped
+    return just_run(coro(*args, **kwargs))
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/nbclient/util.py", line 60, in just_run
+    return loop.run_until_complete(coro)
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/asyncio/base_events.py", line 653, in run_until_complete
+    return future.result()
+           ^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/nbclient/client.py", line 707, in async_execute
+    await self.async_execute_cell(
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/nbclient/client.py", line 1006, in async_execute_cell
+    exec_reply = await self.task_poll_for_reply
+                 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/nbclient/client.py", line 804, in _async_poll_for_reply
+    error_on_timeout_execute_reply = await self._async_handle_timeout(timeout, cell)
+                                     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.7/x64/lib/python3.11/site-packages/nbclient/client.py", line 856, in _async_handle_timeout
+    raise CellTimeoutError.error_from_timeout_and_cell(
+nbclient.exceptions.CellTimeoutError: A cell timed out while it was being executed, after 30 seconds.
+The message was: Cell execution timed out.
+Here is a preview of the cell contents:
+-------------------
+smiles = "C2CN=C(C1=C(C=CC=C1)N2)C3=CC=CC=C3"
+cids = requests.post("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsubstructure/smiles/cids/txt", data={'smiles':smiles}).text.strip().split()
+print(len(cids))
+-------------------
+
diff --git a/searchindex.js b/searchindex.js
index 0dd33df5..e161f815 100644
--- a/searchindex.js
+++ b/searchindex.js
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the IUPAC FAIR Chemistry Cookbook","About the IUPAC FAIR Chemistry Cookbook Project","Bibliography","Contributions to the Cookbook","The Joy of Cooking (FAIR data)","Sources of FAIR Chemical Data","Accessing the IUPAC Gold Book API in Python","Data Repository: PubChem","PubChem PUG-REST API","Accessing PubChem through PUG-REST - Part I","Accessing PubChem through PUG-REST: Part II","Accessing PubChem through PUG-REST: Part III","Feedback on the Cookbook","Glossary","Using the Cookbook","Manipulating Data within a Digital Environment","Computing InChIs","Finding a Findable Dataset","Importing Chemical Data into a Spreadsheet","Importing JSON Citation Data from an API into Google Sheets","FAIR Techniques for Chemical Data","Tools for working with FAIR Chemical Data","OPSIN: Open Parser for Systematic IUPAC Nomenclature","Using the OPSIN API in Python","How to use the Cookbook","Use Cases &amp; Workflows","Reuse of Curated Chemical Data","Structured UV/Vis (meta)data for small molecule 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