diff --git a/datasources/goldbook_api.html b/datasources/goldbook_api.html index 0dbe8242..773ef006 100644 --- a/datasources/goldbook_api.html +++ b/datasources/goldbook_api.html @@ -574,7 +574,7 @@
{'term': {'id': '01093', 'doi': '10.1351/goldbook.C01093', 'code': 'C01093', 'status': 'current', 'longtitle': 'IUPAC Gold Book - cis-trans isomers', 'title': '<i>cis</i>-<i>trans</i> isomers', 'termversion': '2.3.3', 'lastupdated': '2014-02-24', 'definitions': [{'id': '1', 'text': '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]', 'chemicals': [{'type': 'chemimage', 'title': 'molecular structures showing cis/trans isomerism', 'file': 'https://goldbook.iupac.org/img/inline/C01093.png'}], 'links': [{'title': 'Stereoisomeric', 'type': 'internal', 'url': 'https://goldbook.iupac.org/terms/view/S05983'}, {'title': 'olefins', 'type': 'goldify', 'url': 'https://goldbook.iupac.org/terms/view/O04281'}, {'title': 'cycloalkanes', 'type': 'goldify', 'url': 'https://goldbook.iupac.org/terms/view/C01497'}, {'title': 'isomer', 'type': 'goldify', 'url': 'https://goldbook.iupac.org/terms/view/I03289'}, {'title': 'trans', 'type': 'goldify', 'url': 'https://goldbook.iupac.org/terms/view/C01092'}], 'sources': ["PAC, 1996, 68, 2193. 'Basic terminology of stereochemistry (IUPAC Recommendations 1996)' on page 2204 (https://doi.org/10.1351/pac199668122193)"]}], 'referencedin': [{'title': 'Wikipedia - Cis-trans izomerie (cs)', 'url': 'https://cs.wikipedia.org/wiki/Cis-trans_izomerie'}, {'title': 'Wikipedia - Cis-trans izoméria (sk)', 'url': 'https://sk.wikipedia.org/wiki/Cis-trans_izoméria'}, {'title': 'Wikipedia - Cis–trans isomerism (en)', 'url': 'https://en.wikipedia.org/wiki/Cis–trans_isomerism'}, {'title': 'Wikipedia - Isomeria (it)', 'url': 'https://it.wikipedia.org/wiki/Isomeria'}, {'title': 'Wikipedia - Isomeria cis-trans (it)', 'url': 'https://it.wikipedia.org/wiki/Isomeria_cis-trans'}, {'title': 'Wikipedia - Isomeria geométrica (pt)', 'url': 'https://pt.wikipedia.org/wiki/Isomeria_geométrica'}, {'title': 'Wikipedia - Isomería cis-trans (es)', 'url': 'https://es.wikipedia.org/wiki/Isomería_cis-trans'}, {'title': 'Wikipedia - Talk:Isomer (en)', 'url': 'https://en.wikipedia.org/wiki/Talk:Isomer'}, {'title': 'Wikipedia - Talk:Stereoisomerism (en)', 'url': 'https://en.wikipedia.org/wiki/Talk:Stereoisomerism'}, {'title': 'Wikipedia - Цис-транс изомеризъм (bg)', 'url': 'https://bg.wikipedia.org/wiki/Цис-транс_изомеризъм'}, {'title': 'Wikipedia - Цис–транс ізомерія (uk)', 'url': 'https://uk.wikipedia.org/wiki/Цис–транс_ізомерія'}, {'title': 'Wikipedia - ایزومری سیس–ترانس (fa)', 'url': 'https://fa.wikipedia.org/wiki/ایزومری_سیس–ترانس'}, {'title': 'Wikipedia - 顺反异构 (zh)', 'url': 'https://zh.wikipedia.org/wiki/顺反异构'}], 'links': {'html': 'https://goldbook.iupac.org/terms/view/C01093/html', 'json': 'https://goldbook.iupac.org/terms/view/C01093/json', 'xml': 'https://goldbook.iupac.org/terms/view/C01093/xml', 'plain': 'https://goldbook.iupac.org/terms/view/C01093/plain', 'pdf': 'https://goldbook.iupac.org/terms/view/C01093/pdf'}, 'citation': "Citation: '<i>cis</i>-<i>trans</i> isomers' 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", 'license': '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.', 'collection': 'If you are interested in licensing the Gold Book for commercial use, please contact the IUPAC Executive Director at executivedirector@iupac.org .', 'disclaimer': '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.', 'accessed': '2024-01-18T15:00:19+00:00'}}
+{'term': {'id': '01093', 'doi': '10.1351/goldbook.C01093', 'code': 'C01093', 'status': 'current', 'longtitle': 'IUPAC Gold Book - cis-trans isomers', 'title': '<i>cis</i>-<i>trans</i> isomers', 'termversion': '2.3.3', 'lastupdated': '2014-02-24', 'definitions': [{'id': '1', 'text': '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]', 'chemicals': [{'type': 'chemimage', 'title': 'molecular structures showing cis/trans isomerism', 'file': 'https://goldbook.iupac.org/img/inline/C01093.png'}], 'links': [{'title': 'Stereoisomeric', 'type': 'internal', 'url': 'https://goldbook.iupac.org/terms/view/S05983'}, {'title': 'olefins', 'type': 'goldify', 'url': 'https://goldbook.iupac.org/terms/view/O04281'}, {'title': 'cycloalkanes', 'type': 'goldify', 'url': 'https://goldbook.iupac.org/terms/view/C01497'}, {'title': 'isomer', 'type': 'goldify', 'url': 'https://goldbook.iupac.org/terms/view/I03289'}, {'title': 'trans', 'type': 'goldify', 'url': 'https://goldbook.iupac.org/terms/view/C01092'}], 'sources': ["PAC, 1996, 68, 2193. 'Basic terminology of stereochemistry (IUPAC Recommendations 1996)' on page 2204 (https://doi.org/10.1351/pac199668122193)"]}], 'referencedin': [{'title': 'Wikipedia - Cis-trans izomerie (cs)', 'url': 'https://cs.wikipedia.org/wiki/Cis-trans_izomerie'}, {'title': 'Wikipedia - Cis-trans izoméria (sk)', 'url': 'https://sk.wikipedia.org/wiki/Cis-trans_izoméria'}, {'title': 'Wikipedia - Cis–trans isomerism (en)', 'url': 'https://en.wikipedia.org/wiki/Cis–trans_isomerism'}, {'title': 'Wikipedia - Isomeria (it)', 'url': 'https://it.wikipedia.org/wiki/Isomeria'}, {'title': 'Wikipedia - Isomeria cis-trans (it)', 'url': 'https://it.wikipedia.org/wiki/Isomeria_cis-trans'}, {'title': 'Wikipedia - Isomeria geométrica (pt)', 'url': 'https://pt.wikipedia.org/wiki/Isomeria_geométrica'}, {'title': 'Wikipedia - Isomería cis-trans (es)', 'url': 'https://es.wikipedia.org/wiki/Isomería_cis-trans'}, {'title': 'Wikipedia - Talk:Isomer (en)', 'url': 'https://en.wikipedia.org/wiki/Talk:Isomer'}, {'title': 'Wikipedia - Talk:Stereoisomerism (en)', 'url': 'https://en.wikipedia.org/wiki/Talk:Stereoisomerism'}, {'title': 'Wikipedia - Цис-транс изомеризъм (bg)', 'url': 'https://bg.wikipedia.org/wiki/Цис-транс_изомеризъм'}, {'title': 'Wikipedia - Цис–транс ізомерія (uk)', 'url': 'https://uk.wikipedia.org/wiki/Цис–транс_ізомерія'}, {'title': 'Wikipedia - ایزومری سیس–ترانس (fa)', 'url': 'https://fa.wikipedia.org/wiki/ایزومری_سیس–ترانس'}, {'title': 'Wikipedia - 顺反异构 (zh)', 'url': 'https://zh.wikipedia.org/wiki/顺反异构'}], 'links': {'html': 'https://goldbook.iupac.org/terms/view/C01093/html', 'json': 'https://goldbook.iupac.org/terms/view/C01093/json', 'xml': 'https://goldbook.iupac.org/terms/view/C01093/xml', 'plain': 'https://goldbook.iupac.org/terms/view/C01093/plain', 'pdf': 'https://goldbook.iupac.org/terms/view/C01093/pdf'}, 'citation': "Citation: '<i>cis</i>-<i>trans</i> isomers' 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", 'license': '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.', 'collection': 'If you are interested in licensing the Gold Book for commercial use, please contact the IUPAC Executive Director at executivedirector@iupac.org .', 'disclaimer': '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.', 'accessed': '2024-01-18T16:40:42+00:00'}}
HBondDonorCount : 1
-
HBondAcceptorCoun: 4
+HBondAcceptorCoun: 4
HeavyAtomCount : 13
diff --git a/datasources/pubchem_pugrest2.html b/datasources/pubchem_pugrest2.html
index b0769aa5..a5055209 100644
--- a/datasources/pubchem_pugrest2.html
+++ b/datasources/pubchem_pugrest2.html
@@ -492,15 +492,11 @@ 1. Accessing PubChem data using a chemical name
CID : 2244
-
-
-MolecularFormula: C9H8O4
+MolecularFormula: C9H8O4
MolecularWeight : 180.16
-
-
-IsomericSMILES : CC(=O)OC1=CC=CC=C1C(=O)O
+IsomericSMILES : CC(=O)OC1=CC=CC=C1C(=O)O
#-- CID 56841568
-
Aleve-D Sinus & Cold
+Aleve-D Sinus & Cold
Aleve-D Sinus and Cold
Naproxen / pseudoephedrine
Aleve-D Sinus and headache
141623-29-2
DTXSID80931146
2-(6-Methoxynaphthalen-2-yl)propanoic acid--2-(methylamino)-1-phenylpropan-1-ol--hydrogen chloride (1/1/1)
-
-#-- CID 9581
+
#-- CID 9581
PSEUDOEPHEDRINE HYDROCHLORIDE
diff --git a/manipulations/computing_inchis.html b/manipulations/computing_inchis.html
index 2c03fc6d..bfacc5e1 100644
--- a/manipulations/computing_inchis.html
+++ b/manipulations/computing_inchis.html
@@ -526,7 +526,7 @@ 1.2 Create a Molecular Object from SMILES
-<rdkit.Chem.rdchem.Mol object at 0x7f726c588c10>
+<rdkit.Chem.rdchem.Mol object at 0x7fd7affd0c10>
@@ -607,7 +607,7 @@ 1.4 Calculate InChIs for a List of Molecules
-[<rdkit.Chem.rdchem.Mol object at 0x7f726c5890e0>, <rdkit.Chem.rdchem.Mol object at 0x7f726c5891c0>, <rdkit.Chem.rdchem.Mol object at 0x7f726c5895b0>, <rdkit.Chem.rdchem.Mol object at 0x7f726c589620>, <rdkit.Chem.rdchem.Mol object at 0x7f726c589690>, <rdkit.Chem.rdchem.Mol object at 0x7f726c589700>]
+[<rdkit.Chem.rdchem.Mol object at 0x7fd7affd1070>, <rdkit.Chem.rdchem.Mol object at 0x7fd7affd10e0>, <rdkit.Chem.rdchem.Mol object at 0x7fd7affd15b0>, <rdkit.Chem.rdchem.Mol object at 0x7fd7affd1620>, <rdkit.Chem.rdchem.Mol object at 0x7fd7affd1690>, <rdkit.Chem.rdchem.Mol object at 0x7fd7affd1700>]
@@ -766,7 +766,7 @@ 2.4 Calculate InChIs for a List of Molecules
-