Changes

#	Step	Field	From	To	Why
4,296	bootstrap_labels	prefLabel	—	[{"@value":"pentaerithrityl tetranitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was…	Bootstrapped prefLabel from legacy name field
4,297	bootstrap_labels	name	pentaerithrityl tetranitrate	—	Purged legacy name field to enforce prefLabel usage
4,298	bootstrap_labels	synonyms	["1,3-Dinitrato-2,2-bis(nitratomethyl)propane","1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, 1,3-dinitrate","1,3-Propan…	[]	Removed legacy synonyms field in favor of structured labels
22,108	bootstrap_labels	synonyms	["p.e.t.n.","pentaerithrityltetranitrate","pentaerythritoltetranitrate","pentaerythritetetranitrate","[&gt","20â %phleg…	[]	Removed legacy synonyms field in favor of structured labels
29,720	default_context_mapping	context	—	{"dimension":"Environmental","media":"Air","strata":"Unknown"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified
29,721	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-air-unkn	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified
66,866	default_context_mapping	context	—	{"dimension":"Environmental","media":"Air","strata":"Long-term"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term)
66,867	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-air-lote	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term)
81,408	default_context_mapping	context	—	{"dimension":"Environmental","media":"Air","indoor":"Unknown"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor
81,409	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor
86,826	default_context_mapping	context	—	{"dimension":"Environmental","media":"Water","water_body":"Long-term"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term)
86,827	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-wate-lote	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term)
108,224	default_context_mapping	context	—	{"dimension":"Environmental","media":"Water","water_body":"Ocean"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water
108,225	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-wate-ocea	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water
112,990	default_context_mapping	context	—	{"dimension":"Environmental","media":"Ground","geography":"Agricultural"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil
112,991	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-grou-agri	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil
158,580	default_context_mapping	context	—	{"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere
158,581	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-air-aicrhe	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere
164,110	default_context_mapping	context	—	{"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil…	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground
164,111	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground
166,596	default_context_mapping	context	—	{"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil
166,597	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-grou-noag	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil
181,848	default_context_mapping	context	—	{"dimension":"Environmental","media":"Water","water_body":"Surface water"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water
181,849	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-wate-suwa	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water
183,484	default_context_mapping	context	—	{"dimension":"Environmental","media":"Ground","geography":"Unknown"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified
183,485	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-grou-unkn	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified
198,542	default_context_mapping	context	—	{"dimension":"Environmental","media":"Water","water_body":"Unknown"}	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified
198,543	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-wate-unkn	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified
200,370	default_context_mapping	context	—	{"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop…	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks
200,371	default_context_mapping	context_iri	—	https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq	Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks
214,774	unit_normalization	unit_iri	—	https://vocab.brightway.one/units/unit/KiloGM	Unit IRI set from normalization of 'kg'
222,082	normalize_name_case	prefLabel	[{"@value":"pentaerithrityl tetranitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was…	[{"@value":"Pentaerithrityl Tetranitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was…	Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character)
231,312	enrich_references	properties	{}	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8N4O12"…	Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1)
231,313	enrich_references	skos_definition	—	[{"@value":"A pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the co…	Merged ChEBI/PubChem definitions into skos:definition
231,314	enrich_references	references	[]	[{"@id":"drugcentral:2087","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"…	Added references with provenance; cas_numbers=['78-11-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_25879']; candidate_pubchem_cids=[6518, 101755159]; selected_pubchem_cids=[6518]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes
249,506	rdkit_pre_consensus	properties	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8N4O12"…	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8N4O12"…	rdkit_pre_consensus from 'C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]'; added: monoisotopic_mass
254,919	chebi_altlabels	altLabel	[]	[{"@value":"1,3-dinitrato-2,2-bis(nitratomethyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab…	Added 20 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s)
270,434	consensus_match	altLabel	[{"@value":"1,3-dinitrato-2,2-bis(nitratomethyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab…	[{"@value":"1,3-dinitrato-2,2-bis(nitratomethyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab…	group_key=pentaerithrityltetranitrate\|\|dimension=Environmental > media=Air > strata=Unknown; cas=78-11-5; added Common Chemistry CAS names as altLabel: 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate, 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester), Angicap, Angitet, Antora, Arcotrate, Baritrate, C 2, C 2 (explosive), CHot, Cardiacap, Deltrate 20, Dilcoran 80, Dipentrate, Duotrate, Erinit, Extex, Hasethrol, Kaytrate, LX 02-1, LX 08-0, LX 13, LX 16, LX 16 (explosive), Lentrat, Lowetrate, Martrate 45, Metranil, Mycardol, Myotrate 10, Neo-Corovas, Niperyt, Niperyth, Nitrin, Nitrinal, Nitrine, Nitro-Riletten, Nitrolong, Nitropent, Nitropenta 7W, Nitropenton, Nitrotalans, PBXN 301, PP 83, Pen-Tetra, Pencard, Penta, Pentaerythritol, tetranitrate, Pentaerythrityl tetranitrate, Pentafilin, Pentafin, Pentanitrine, Pentanitrol, Pentestan 80, Pentetrate Unicelles, Penthrit, Pentitrate, Pentral 80, Pentrate, Pentrinat, Pentrite, Pentritol, Pentryate, Pergitral, Peridex, Peridex LA, Peritrate, Perityl, Prevangor, Quintrate, Rythritol, Subicard, Tanipent, Tena, Tena (explosive), Tentrate 20, Terpate, Tetranitropentaerythrite, Tetrasule, Tranite D-Lay, Vaso 80 Unicelles, Vasodiatol, Vasolat, XTX 8003; object_uuid=fo-bf3f269216950b90
270,435	consensus_match	cas_match_labels	—	{"78-11-5":"exactMatch"}	group_key=pentaerithrityltetranitrate\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-11-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bf3f269216950b90: {'78-11-5': 'exactMatch'}
274,638	opsin_iupac	properties	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8N4O12"…	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8N4O12"…	opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate'
281,093	rdkit_post_consensus	properties	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8N4O12"…	{"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8N4O12"…	rdkit_post_consensus from 'O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass
288,130	strip_catalogue_altlabels	altLabel	[{"@value":"1,3-dinitrato-2,2-bis(nitratomethyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab…	[{"@value":"1,3-dinitrato-2,2-bis(nitratomethyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab…	Removed 8 catalogue altLabel value(s): 'C 2' (grade code), 'C 2 (explosive)' (grade code), 'LX 13' (grade code), 'LX 16' (grade code), 'LX 16 (explosive)' (grade code), 'PBXN 301' (grade code), 'PP 83' (grade code), 'XTX 8003' (grade code)
295,899	carry_associations_onto_flows	concept_associations	[]	[{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/04ea3cb1-24ee-…	associations resolved on the elementary layer
314,450	carry_associations_onto_flows	concept_associations	[]	[{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2d2ac5cb-4b6a-…	associations resolved on the elementary layer
321,718	carry_associations_onto_flows	concept_associations	[]	[{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/434da8a9-57b3-…	associations resolved on the elementary layer
324,429	carry_associations_onto_flows	concept_associations	[]	[{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4cdfd1e2-e380-…	associations resolved on the elementary layer
335,110	carry_associations_onto_flows	concept_associations	[]	[{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/626a9194-9d4e-…	associations resolved on the elementary layer
337,494	carry_associations_onto_flows	concept_associations	[]	[{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6a282649-2279-…	associations resolved on the elementary layer
360,314	carry_associations_onto_flows	concept_associations	[]	[{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b73ca751-9eb3-…	associations resolved on the elementary layer
363,081	carry_associations_onto_flows	concept_associations	[]	[{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c0edff74-ec3c-…	associations resolved on the elementary layer