cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.rnhjhd
title: Occurrence Download

description: A dataset containing 4559 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Asia",
 "Country is China",
 "Geometry POLYGON((105 32,112 32,112 35,105 35,105 32))",
 "Year 2018-2018"
 ]
}

 The dataset includes 4559 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013248-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9av6w5
title: Occurrence Download

description: A dataset containing 114453 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Alosa volgensis (Berg, 1913), Stenodus leucichthys (Güldenstädt, 1772), Coregonus alpenae (Koelz, 1924), Coregonus johannae (Wagner, 1910), Coregonus nigripinnis (Milner, 1874), Oncorhynchus nerka (Walbaum, 1792), Salmo saua, Allotoca goslinei Smith & Miller, 1987, Atherinella callida Chernoff, 1986, Characodon garmani Jordan & Evermann, 1898)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 114453 records from 76 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013212-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.2909/d4a318b4-693e-4090-bc20-e38857a5aaff
title: NECPR: Additional Reporting Obligations in the area of Renewable Energy (Annex XVI) dataset, 2023

description: Additional reporting in the area of renewable energy is a dataset under the National Energy and Climate Progress Reports (NECPRs), which is reported every second year (starting in 2023) by EU Member States. The dataset provides information regarding Member States functioning system for guarantees of origin (GO), renewable energy surplus/deficits, biomass use and impacts, and renewable energy usage in buildings. The EEA collects and quality checks this data. The dataset links to data from Eurostat. 

This reporting obligation comes from the Governance Regulation 2018/1999, Implementing Regulation (EU) 2022/2299 (Annex XVI).
DOI: 10.15468/dl.cxzfzx
title: Occurrence Download

description: A dataset containing 5003 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((105 32,112 32,112 35,105 35,105 32))",
 "Year 2023-2023"
 ]
}

 The dataset includes 5003 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013250-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.g22yja
title: Occurrence Download

description: A dataset containing 2328 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((105 32,112 32,112 35,105 35,105 32))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Month is one of (June, January, February, March, April, May, July, August, September, October, November, December)",
 "OccurrenceStatus is Present",
 "Year 2013-2013"
 ]
}

 The dataset includes 2328 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013252-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gvtfxj
title: Occurrence Download

description: A dataset containing 5003 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((105 32,112 32,112 35,105 35,105 32))",
 "Year 2023-2023"
 ]
}

 The dataset includes 5003 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013251-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nvh7tg
title: Occurrence Download

description: A dataset containing 34842 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((116.26389 -1.6914,117.91842 -1.6914,117.91842 0.11704,116.26389 0.11704,116.26389 -1.6914))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 34842 records from 161 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013249-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2k8upt
title: Occurrence Download

description: A dataset containing 2328 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((105 32,112 32,112 35,105 35,105 32))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Month is one of (June, January, February, March, April, May, July, August, September, October, November, December)",
 "OccurrenceStatus is Present",
 "Year 2013-2013"
 ]
}

 The dataset includes 2328 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013253-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z567mm
title: Occurrence Download

description: A dataset containing 1156 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-34.7485 15.60945,196.38971 15.60945,196.38971 86.9042,-34.7485 86.9042,-34.7485 15.60945))",
 "TaxonKey is Batrachium trichophyllum (Chaix) Bosch"
 ]
}

 The dataset includes 1156 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013254-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.h867pb
title: Occurrence Download

description: A dataset containing 903 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((105 32,112 32,112 35,105 35,105 32))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "Year 2008-2008"
 ]
}

 The dataset includes 903 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013255-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/ahzdmnvtlqotln-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C17H18N2O3/c1-10-15-12(17(21)19-5-7-22-8-6-19)9-14(20)11-3-2-4-13(18-10)16(11)15/h2-4,12,18H,5-9H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/ahzdmnvtlqotln-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C17H18N2O3/c1-10-15-12(17(21)19-5-7-22-8-6-19)9-14(20)11-3-2-4-13(18-10)16(11)15/h2-4,12,18H,5-9H2,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/ahzdmnvtlqotln-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H18N2O3/c1-10-15-12(17(21)19-5-7-22-8-6-19)9-14(20)11-3-2-4-13(18-10)16(11)15/h2-4,12,18H,5-9H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ahzdmnvtlqotln-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H18N2O3/c1-10-15-12(17(21)19-5-7-22-8-6-19)9-14(20)11-3-2-4-13(18-10)16(11)15/h2-4,12,18H,5-9H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ahzdmnvtlqotln-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H18N2O3/c1-10-15-12(17(21)19-5-7-22-8-6-19)9-14(20)11-3-2-4-13(18-10)16(11)15/h2-4,12,18H,5-9H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ahzdmnvtlqotln-uhfffaoysa-n.1
title: 2-Methyl-3-(morpholine-4-carbonyl)-3,4-dihydrobenzo[cd]indol-5(1H)-one
title: InChI=1S/C17H18N2O3/c1-10-15-12(17(21)19-5-7-22-8-6-19)9-14(20)11-3-2-4-13(18-10)16(11)15/h2-4,12,18H,5-9H2,1H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C17H18N2O3/c1-10-15-12(17(21)19-5-7-22-8-6-19)9-14(20)11-3-2-4-13(18-10)16(11)15/h2-4,12,18H,5-9H2,1H3, and canonical SMILES descriptor[cheminf_000007]: O=C(C1CC(=O)c2c3c1c(C)[nH]c3ccc2)N1CCOCC1, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-38918

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/ahzdmnvtlqotln-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C17H18N2O3/c1-10-15-12(17(21)19-5-7-22-8-6-19)9-14(20)11-3-2-4-13(18-10)16(11)15/h2-4,12,18H,5-9H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.5281/zenodo.13927372
title: Deprecated Update

description: Replication Package of the paper "Towards Better Comprehension of Breaking Changes in the NPM Ecosystem"

 

We describe the files in this replication package as follows.

 

collected_data folder:

This folder contains the our collected breaking changes from 381 sampled NPM projects. The files include:

1) sampled_projects.txt, the 381 projects we sampled.

2) original_breaking_commits.csv, the breaking commits obtained from the 381 projects.

3) breaking_commits_after_removal.csv, it contains the breaking commits after removing (1) non-JavaScript source code change, (2) contain very long commit messages over 10 lines.

 

RQ1 folder:

 

This folder contains the breaking changes used in RQ1.

1) documented_bc_can_be_detected.csv, it contains the breaking changes after removal, and the “can_be_detected” column indicates whether a documented breaking change can be detected by test cases.

2) detected_bc_are_documented.csv, it contains the breaking changes sampled from all commits from 381 projects. The “can_be_detected” column indicates whether a commit can be detected by test cases, and the “documented” column indicates whether a commit is a documented breaking change.

 

RQ2-3-4 folder:

This folder contains the breaking changes used in analysis process in RQ2, RQ3 and RQ4.

1) used_projects.csv, the projects that contain breaking changes (131 in total)

2) analyzed_breaking_changes.csv, the analyzed breaking changes in RQ2 to 4. The breaking changes are annotated. For example, column “category” indicates the type of the breaking change, column “change_signature_type” is related to RQ2, column “change_behavior_type” is related to RQ3 and column “reason” is related to RQ4.
DOI: 10.5281/zenodo.13927373
title: Deprecated Update

description: Replication Package of the paper "Towards Better Comprehension of Breaking Changes in the NPM Ecosystem"

 

We describe the files in this replication package as follows.

 

collected_data folder:

This folder contains the our collected breaking changes from 381 sampled NPM projects. The files include:

1) sampled_projects.txt, the 381 projects we sampled.

2) original_breaking_commits.csv, the breaking commits obtained from the 381 projects.

3) breaking_commits_after_removal.csv, it contains the breaking commits after removing (1) non-JavaScript source code change, (2) contain very long commit messages over 10 lines.

 

RQ1 folder:

 

This folder contains the breaking changes used in RQ1.

1) documented_bc_can_be_detected.csv, it contains the breaking changes after removal, and the “can_be_detected” column indicates whether a documented breaking change can be detected by test cases.

2) detected_bc_are_documented.csv, it contains the breaking changes sampled from all commits from 381 projects. The “can_be_detected” column indicates whether a commit can be detected by test cases, and the “documented” column indicates whether a commit is a documented breaking change.

 

RQ2-3-4 folder:

This folder contains the breaking changes used in analysis process in RQ2, RQ3 and RQ4.

1) used_projects.csv, the projects that contain breaking changes (131 in total)

2) analyzed_breaking_changes.csv, the analyzed breaking changes in RQ2 to 4. The breaking changes are annotated. For example, column “category” indicates the type of the breaking change, column “change_signature_type” is related to RQ2, column “change_behavior_type” is related to RQ3 and column “reason” is related to RQ4.
DOI: 10.5281/zenodo.13927646
title: Evaluating the Impact of Education on Sustainability Knowledge, Attitudes, and Intentions Among University Students
DOI: 10.5281/zenodo.13927647
title: Evaluating the Impact of Education on Sustainability Knowledge, Attitudes, and Intentions Among University Students
DOI: 10.14272/qirozzvnyluvgf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qirozzvnyluvgf-uhfffaoysa-n.1
title: N-(Furan-2-ylmethyl)-2-methyl-5-oxo-1,3,4,5-tetrahydrobenzo[cd]indole-3-carboxamide
title: InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22), and canonical SMILES descriptor[cheminf_000007]: O=C(C1CC(=O)c2c3c1c(C)[nH]c3ccc2)NCc1ccco1, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-38905

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/qirozzvnyluvgf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/qirozzvnyluvgf-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qirozzvnyluvgf-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/qirozzvnyluvgf-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/qirozzvnyluvgf-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/drrjdsumvprfoc-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/drrjdsumvprfoc-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/drrjdsumvprfoc-uhfffaoysa-n/chmo0000636.1
title: Fourier transform infrared spectroscopy (FTIR) ()
title: InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17)

description: dataset for Fourier transform infrared spectroscopy (FTIR)
DOI: 10.14272/drrjdsumvprfoc-uhfffaoysa-n/chmo0001146.1
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/drrjdsumvprfoc-uhfffaoysa-n/chmo0001148.1
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17)

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/drrjdsumvprfoc-uhfffaoysa-n.2
title: 2-Methyl-3-(morpholine-4-carbonyl)-3,4-dihydrobenzo[cd]indol-5(1H)-one
title: InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17)

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17), and canonical SMILES descriptor[cheminf_000007]: OC(=O)C1=NNC(=O)c2c3c1c[nH]c3ccc2, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-38897

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 300.0 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000636 | Fourier transform infrared spectroscopy (FTIR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/drrjdsumvprfoc-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qjypgcpjnlnojt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H14N2O2/c1-7-12-9(14(18)15-2)6-11(17)8-4-3-5-10(16-7)13(8)12/h3-5,9,16H,6H2,1-2H3,(H,15,18)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qjypgcpjnlnojt-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H14N2O2/c1-7-12-9(14(18)15-2)6-11(17)8-4-3-5-10(16-7)13(8)12/h3-5,9,16H,6H2,1-2H3,(H,15,18)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qjypgcpjnlnojt-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C14H14N2O2/c1-7-12-9(14(18)15-2)6-11(17)8-4-3-5-10(16-7)13(8)12/h3-5,9,16H,6H2,1-2H3,(H,15,18)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)